USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 79 MET CE :methyl 155:sc= -1.37 (180deg=-1.79) USER MOD Set 1.2: Y 111 LYS NZ :NH3+ 171:sc= -2.18! (180deg=-2.51!) USER MOD Set 2.1: B 57 MET CE :methyl -143:sc= -1.57 (180deg=-4.68) USER MOD Set 2.2: B 68 CYS SG : rot 42:sc= 0.26 USER MOD Set 3.1: B 55 LYS NZ :NH3+ -124:sc= -0.0887 (180deg=-0.265) USER MOD Set 3.2: Y 109 MET CE :methyl -144:sc= -0.0574 (180deg=0) USER MOD Set 4.1: B 37 ASN : amide:sc= -3.38 K(o=-7.8,f=-0.2) USER MOD Set 4.2: B 38 ASN : amide:sc= -4.39! K(o=-7.8!,f=-0.2) USER MOD Set 5.1: B 28 LYS NZ :NH3+ 167:sc= -0.0513 (180deg=-0.28) USER MOD Set 5.2: B 29 LYS NZ :NH3+ -179:sc= -0.343 (180deg=-0.33) USER MOD Set 6.1: A 0 MET N :NH3+ -165:sc= -0.0129 (180deg=-0.251) USER MOD Set 6.2: B 16 GLN : amide:sc= -0.603 X(o=-0.62,f=-0.48) USER MOD Set 7.1: A 81 THR OG1 : rot 88:sc= 0.606 USER MOD Set 7.2: B 7 MET CE :methyl 163:sc= -0.0904 (180deg=-0.636) USER MOD Set 8.1: A 79 MET CE :methyl 160:sc= -1.21 (180deg=-1.84) USER MOD Set 8.2: X 111 LYS NZ :NH3+ -178:sc= -2.52! (180deg=-2.08!) USER MOD Set 9.1: A 57 MET CE :methyl -140:sc= -1.65 (180deg=-4.77) USER MOD Set 9.2: A 68 CYS SG : rot 43:sc= 0.273 USER MOD Set10.1: A 55 LYS NZ :NH3+ -140:sc=-0.00908 (180deg=-0.281) USER MOD Set10.2: X 109 MET CE :methyl -131:sc= -0.176 (180deg=0) USER MOD Set11.1: A 37 ASN : amide:sc= -3.34 K(o=-7.8,f=-0.31) USER MOD Set11.2: A 38 ASN : amide:sc= -4.47! K(o=-7.8!,f=-0.31) USER MOD Set12.1: A 28 LYS NZ :NH3+ 166:sc= -0.102 (180deg=-0.351) USER MOD Set12.2: A 29 LYS NZ :NH3+ 178:sc= -0.596 (180deg=-0.491) USER MOD Set13.1: A 16 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.52) USER MOD Set13.2: B 0 MET N :NH3+ -155:sc=-0.00362 (180deg=-0.267) USER MOD Set14.1: A 7 MET CE :methyl 166:sc= -0.138 (180deg=-0.539) USER MOD Set14.2: B 81 THR OG1 : rot 80:sc= 0.515 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -73:sc= 0.868 USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= -0.118 (180deg=-0.731) USER MOD Single : A 15 HIS : no HD1:sc= -0.0855 K(o=-0.085,f=-0.62) USER MOD Single : A 17 TYR OH : rot -18:sc= 0.754 USER MOD Single : A 18 SER OG : rot -126:sc= -0.216 USER MOD Single : A 24 LYS NZ :NH3+ -130:sc= -2.11 (180deg=-4.65!) USER MOD Single : A 25 HIS : no HD1:sc= -0.364 K(o=-0.36,f=-3.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.327 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 53:sc= 0.282 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -4.7! (180deg=-5.89!) USER MOD Single : A 50 GLN : amide:sc= -1.93 X(o=-1.9,f=-2) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0572 K(o=-0.057,f=-2!) USER MOD Single : A 74 MET CE :methyl -154:sc= -1.49 (180deg=-4.27!) USER MOD Single : A 78 SER OG : rot -61:sc= 0.72 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 84 CYS SG : rot 58:sc= -0.705 USER MOD Single : A 85 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.35) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot -54:sc= 0.878 USER MOD Single : B 5 LYS NZ :NH3+ 156:sc= -0.0433 (180deg=-0.527) USER MOD Single : B 15 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-0.66) USER MOD Single : B 17 TYR OH : rot -13:sc= 0.761 USER MOD Single : B 18 SER OG : rot -131:sc= -0.0712! USER MOD Single : B 24 LYS NZ :NH3+ -128:sc= -1.96 (180deg=-4.79!) USER MOD Single : B 25 HIS : no HD1:sc= -0.37 K(o=-0.37,f=-3.7!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= -0.325 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 SER OG : rot 47:sc= 0.28 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 48 LYS NZ :NH3+ 149:sc= -3.94! (180deg=-4.87!) USER MOD Single : B 50 GLN : amide:sc= -2 X(o=-2,f=-2.1) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -0.069 K(o=-0.069,f=-2!) USER MOD Single : B 74 MET CE :methyl -154:sc= -1.68 (180deg=-4.18!) USER MOD Single : B 78 SER OG : rot -73:sc= 0.66 USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.04 USER MOD Single : B 84 CYS SG : rot 58:sc= -0.697 USER MOD Single : B 85 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.35) USER MOD Single : X 105 HIS : no HD1:sc= -4.5! C(o=-4.5!,f=-2.3!) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ -154:sc= -0.253 (180deg=-1.42!) USER MOD Single : X 112 THR OG1 : rot 180:sc= 0 USER MOD Single : Y 105 HIS : no HD1:sc= -4.61! C(o=-4.6!,f=-2.2!) USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ -152:sc= -0.312 (180deg=-1.42!) USER MOD Single : Y 112 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.494 -2.428 -15.212 1.00 0.00 N ATOM 2 CA MET A 0 1.510 -3.120 -16.091 1.00 0.00 C ATOM 3 C MET A 0 0.203 -2.326 -16.108 1.00 0.00 C ATOM 4 O MET A 0 -0.831 -2.807 -15.689 1.00 0.00 O ATOM 5 CB MET A 0 1.242 -4.525 -15.547 1.00 0.00 C ATOM 6 CG MET A 0 2.481 -5.401 -15.744 1.00 0.00 C ATOM 7 SD MET A 0 2.154 -7.056 -15.087 1.00 0.00 S ATOM 8 CE MET A 0 3.825 -7.720 -15.285 1.00 0.00 C ATOM 0 H1 MET A 0 3.446 -2.808 -15.390 1.00 0.00 H new ATOM 0 H2 MET A 0 2.484 -1.408 -15.416 1.00 0.00 H new ATOM 0 H3 MET A 0 2.240 -2.585 -14.216 1.00 0.00 H new ATOM 0 HA MET A 0 1.910 -3.191 -17.103 1.00 0.00 H new ATOM 0 HB2 MET A 0 0.987 -4.473 -14.489 1.00 0.00 H new ATOM 0 HB3 MET A 0 0.388 -4.967 -16.060 1.00 0.00 H new ATOM 0 HG2 MET A 0 2.734 -5.461 -16.803 1.00 0.00 H new ATOM 0 HG3 MET A 0 3.338 -4.958 -15.236 1.00 0.00 H new ATOM 0 HE1 MET A 0 3.850 -8.752 -14.934 1.00 0.00 H new ATOM 0 HE2 MET A 0 4.107 -7.687 -16.337 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.526 -7.121 -14.703 1.00 0.00 H new ATOM 20 N SER A 1 0.240 -1.112 -16.586 1.00 0.00 N ATOM 21 CA SER A 1 -1.004 -0.285 -16.624 1.00 0.00 C ATOM 22 C SER A 1 -1.517 -0.068 -15.199 1.00 0.00 C ATOM 23 O SER A 1 -2.688 0.162 -14.974 1.00 0.00 O ATOM 24 CB SER A 1 -2.075 -1.006 -17.449 1.00 0.00 C ATOM 25 OG SER A 1 -2.807 -1.886 -16.605 1.00 0.00 O ATOM 0 H SER A 1 1.076 -0.656 -16.952 1.00 0.00 H new ATOM 0 HA SER A 1 -0.783 0.679 -17.081 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.747 -0.280 -17.907 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.610 -1.566 -18.260 1.00 0.00 H new ATOM 0 HG SER A 1 -2.249 -2.658 -16.375 1.00 0.00 H new ATOM 31 N GLU A 2 -0.640 -0.128 -14.240 1.00 0.00 N ATOM 32 CA GLU A 2 -1.044 0.084 -12.823 1.00 0.00 C ATOM 33 C GLU A 2 -1.263 1.572 -12.572 1.00 0.00 C ATOM 34 O GLU A 2 -1.738 1.974 -11.533 1.00 0.00 O ATOM 35 CB GLU A 2 0.059 -0.433 -11.906 1.00 0.00 C ATOM 36 CG GLU A 2 0.121 -1.949 -12.031 1.00 0.00 C ATOM 37 CD GLU A 2 1.222 -2.499 -11.124 1.00 0.00 C ATOM 38 OE1 GLU A 2 1.952 -1.701 -10.559 1.00 0.00 O ATOM 39 OE2 GLU A 2 1.322 -3.710 -11.015 1.00 0.00 O ATOM 0 H GLU A 2 0.353 -0.317 -14.378 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.970 -0.454 -12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.017 0.009 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.141 -0.146 -10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.840 -2.385 -11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.316 -2.230 -13.066 1.00 0.00 H new ATOM 46 N LEU A 3 -0.891 2.392 -13.511 1.00 0.00 N ATOM 47 CA LEU A 3 -1.034 3.867 -13.335 1.00 0.00 C ATOM 48 C LEU A 3 -2.380 4.198 -12.695 1.00 0.00 C ATOM 49 O LEU A 3 -2.541 5.224 -12.077 1.00 0.00 O ATOM 50 CB LEU A 3 -0.954 4.545 -14.705 1.00 0.00 C ATOM 51 CG LEU A 3 -0.793 6.062 -14.537 1.00 0.00 C ATOM 52 CD1 LEU A 3 0.569 6.392 -13.889 1.00 0.00 C ATOM 53 CD2 LEU A 3 -0.891 6.721 -15.918 1.00 0.00 C ATOM 0 H LEU A 3 -0.490 2.103 -14.403 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.234 4.225 -12.687 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.113 4.143 -15.269 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.855 4.329 -15.279 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.580 6.442 -13.886 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.667 7.472 -13.777 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.630 5.919 -12.909 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.373 6.019 -14.523 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.778 7.800 -15.815 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.102 6.334 -16.563 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.862 6.498 -16.359 1.00 0.00 H new ATOM 65 N GLU A 4 -3.344 3.345 -12.834 1.00 0.00 N ATOM 66 CA GLU A 4 -4.671 3.636 -12.221 1.00 0.00 C ATOM 67 C GLU A 4 -4.581 3.564 -10.695 1.00 0.00 C ATOM 68 O GLU A 4 -5.184 4.356 -9.997 1.00 0.00 O ATOM 69 CB GLU A 4 -5.707 2.627 -12.733 1.00 0.00 C ATOM 70 CG GLU A 4 -7.090 2.949 -12.144 1.00 0.00 C ATOM 71 CD GLU A 4 -7.194 2.418 -10.709 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.428 1.534 -10.362 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.044 2.906 -9.981 1.00 0.00 O ATOM 0 H GLU A 4 -3.278 2.462 -13.341 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.977 4.643 -12.503 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.750 2.658 -13.822 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.410 1.616 -12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.255 4.026 -12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.869 2.502 -12.762 1.00 0.00 H new ATOM 80 N LYS A 5 -3.857 2.621 -10.163 1.00 0.00 N ATOM 81 CA LYS A 5 -3.774 2.519 -8.677 1.00 0.00 C ATOM 82 C LYS A 5 -2.908 3.653 -8.136 1.00 0.00 C ATOM 83 O LYS A 5 -3.113 4.133 -7.043 1.00 0.00 O ATOM 84 CB LYS A 5 -3.195 1.150 -8.257 1.00 0.00 C ATOM 85 CG LYS A 5 -1.661 1.137 -8.355 1.00 0.00 C ATOM 86 CD LYS A 5 -1.146 -0.285 -8.138 1.00 0.00 C ATOM 87 CE LYS A 5 0.368 -0.247 -7.921 1.00 0.00 C ATOM 88 NZ LYS A 5 0.664 0.415 -6.618 1.00 0.00 N ATOM 0 H LYS A 5 -3.325 1.924 -10.683 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.777 2.604 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.498 0.923 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.609 0.367 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.346 1.504 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.233 1.807 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.637 -0.734 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.386 -0.907 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.773 -1.259 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.850 0.295 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.577 0.074 -6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.709 1.445 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.087 0.188 -5.935 1.00 0.00 H new ATOM 102 N ALA A 6 -1.919 4.057 -8.880 1.00 0.00 N ATOM 103 CA ALA A 6 -1.018 5.135 -8.394 1.00 0.00 C ATOM 104 C ALA A 6 -1.748 6.475 -8.350 1.00 0.00 C ATOM 105 O ALA A 6 -1.591 7.241 -7.424 1.00 0.00 O ATOM 106 CB ALA A 6 0.195 5.239 -9.329 1.00 0.00 C ATOM 0 H ALA A 6 -1.696 3.687 -9.804 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.691 4.890 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.859 6.028 -8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.731 4.290 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.143 5.473 -10.339 1.00 0.00 H new ATOM 112 N MET A 7 -2.535 6.771 -9.337 1.00 0.00 N ATOM 113 CA MET A 7 -3.255 8.073 -9.338 1.00 0.00 C ATOM 114 C MET A 7 -4.233 8.123 -8.168 1.00 0.00 C ATOM 115 O MET A 7 -4.394 9.136 -7.508 1.00 0.00 O ATOM 116 CB MET A 7 -4.025 8.229 -10.652 1.00 0.00 C ATOM 117 CG MET A 7 -3.041 8.437 -11.804 1.00 0.00 C ATOM 118 SD MET A 7 -3.961 8.804 -13.317 1.00 0.00 S ATOM 119 CE MET A 7 -2.602 9.583 -14.220 1.00 0.00 C ATOM 0 H MET A 7 -2.713 6.172 -10.143 1.00 0.00 H new ATOM 0 HA MET A 7 -2.533 8.883 -9.239 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.633 7.343 -10.836 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.708 9.076 -10.586 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.359 9.255 -11.572 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.432 7.544 -11.943 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.867 9.669 -15.274 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.415 10.576 -13.810 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.703 8.974 -14.121 1.00 0.00 H new ATOM 129 N VAL A 8 -4.884 7.033 -7.910 1.00 0.00 N ATOM 130 CA VAL A 8 -5.862 6.993 -6.792 1.00 0.00 C ATOM 131 C VAL A 8 -5.127 7.149 -5.461 1.00 0.00 C ATOM 132 O VAL A 8 -5.624 7.752 -4.534 1.00 0.00 O ATOM 133 CB VAL A 8 -6.614 5.658 -6.817 1.00 0.00 C ATOM 134 CG1 VAL A 8 -7.467 5.518 -5.550 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.516 5.608 -8.054 1.00 0.00 C ATOM 0 H VAL A 8 -4.782 6.160 -8.427 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.575 7.810 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.896 4.838 -6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.999 4.567 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.822 5.552 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.186 6.336 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.053 4.659 -8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.232 6.429 -8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.906 5.700 -8.953 1.00 0.00 H new ATOM 145 N ALA A 9 -3.962 6.579 -5.357 1.00 0.00 N ATOM 146 CA ALA A 9 -3.192 6.654 -4.079 1.00 0.00 C ATOM 147 C ALA A 9 -2.761 8.085 -3.774 1.00 0.00 C ATOM 148 O ALA A 9 -2.756 8.500 -2.635 1.00 0.00 O ATOM 149 CB ALA A 9 -1.953 5.776 -4.173 1.00 0.00 C ATOM 0 H ALA A 9 -3.504 6.060 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.843 6.306 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.394 5.834 -3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.252 4.743 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.324 6.121 -4.994 1.00 0.00 H new ATOM 155 N LEU A 10 -2.379 8.845 -4.762 1.00 0.00 N ATOM 156 CA LEU A 10 -1.937 10.236 -4.462 1.00 0.00 C ATOM 157 C LEU A 10 -3.093 10.974 -3.807 1.00 0.00 C ATOM 158 O LEU A 10 -2.916 11.737 -2.878 1.00 0.00 O ATOM 159 CB LEU A 10 -1.563 10.973 -5.751 1.00 0.00 C ATOM 160 CG LEU A 10 -0.410 10.265 -6.470 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.059 11.057 -7.734 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.818 10.179 -5.549 1.00 0.00 C ATOM 0 H LEU A 10 -2.353 8.572 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.067 10.200 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.430 11.025 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.277 11.999 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.712 9.252 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.761 10.564 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.930 11.103 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.242 12.068 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.630 9.674 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.135 11.184 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.560 9.618 -4.651 1.00 0.00 H new ATOM 174 N ILE A 11 -4.275 10.745 -4.284 1.00 0.00 N ATOM 175 CA ILE A 11 -5.457 11.424 -3.698 1.00 0.00 C ATOM 176 C ILE A 11 -5.718 10.918 -2.268 1.00 0.00 C ATOM 177 O ILE A 11 -6.076 11.683 -1.393 1.00 0.00 O ATOM 178 CB ILE A 11 -6.673 11.184 -4.603 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.475 11.974 -5.908 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.945 11.662 -3.895 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.472 11.507 -6.974 1.00 0.00 C ATOM 0 H ILE A 11 -4.477 10.114 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.269 12.496 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.771 10.121 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.608 13.039 -5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.456 11.839 -6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.807 11.490 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.073 11.110 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.862 12.727 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.318 12.076 -7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.319 10.447 -7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.489 11.665 -6.615 1.00 0.00 H new ATOM 193 N ASP A 12 -5.567 9.640 -2.020 1.00 0.00 N ATOM 194 CA ASP A 12 -5.837 9.111 -0.644 1.00 0.00 C ATOM 195 C ASP A 12 -4.912 9.767 0.397 1.00 0.00 C ATOM 196 O ASP A 12 -5.326 10.079 1.497 1.00 0.00 O ATOM 197 CB ASP A 12 -5.603 7.598 -0.635 1.00 0.00 C ATOM 198 CG ASP A 12 -6.704 6.907 -1.443 1.00 0.00 C ATOM 199 OD1 ASP A 12 -7.785 7.464 -1.532 1.00 0.00 O ATOM 200 OD2 ASP A 12 -6.446 5.831 -1.958 1.00 0.00 O ATOM 0 H ASP A 12 -5.271 8.944 -2.704 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.870 9.342 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.626 7.368 -1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.601 7.226 0.389 1.00 0.00 H new ATOM 205 N VAL A 13 -3.669 9.970 0.062 1.00 0.00 N ATOM 206 CA VAL A 13 -2.707 10.595 1.025 1.00 0.00 C ATOM 207 C VAL A 13 -3.066 12.075 1.222 1.00 0.00 C ATOM 208 O VAL A 13 -2.878 12.642 2.287 1.00 0.00 O ATOM 209 CB VAL A 13 -1.269 10.419 0.456 1.00 0.00 C ATOM 210 CG1 VAL A 13 -0.396 11.660 0.700 1.00 0.00 C ATOM 211 CG2 VAL A 13 -0.584 9.203 1.112 1.00 0.00 C ATOM 0 H VAL A 13 -3.270 9.729 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.760 10.114 2.002 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.369 10.269 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.598 11.492 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.849 12.525 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.317 11.844 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.421 9.089 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.526 9.356 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.163 8.303 0.904 1.00 0.00 H new ATOM 221 N PHE A 14 -3.575 12.704 0.208 1.00 0.00 N ATOM 222 CA PHE A 14 -3.931 14.139 0.338 1.00 0.00 C ATOM 223 C PHE A 14 -4.922 14.308 1.486 1.00 0.00 C ATOM 224 O PHE A 14 -4.775 15.178 2.312 1.00 0.00 O ATOM 225 CB PHE A 14 -4.576 14.607 -0.967 1.00 0.00 C ATOM 226 CG PHE A 14 -5.091 16.018 -0.810 1.00 0.00 C ATOM 227 CD1 PHE A 14 -4.201 17.093 -0.865 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.461 16.252 -0.625 1.00 0.00 C ATOM 229 CE1 PHE A 14 -4.674 18.402 -0.736 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.935 17.564 -0.492 1.00 0.00 C ATOM 231 CZ PHE A 14 -6.040 18.640 -0.549 1.00 0.00 C ATOM 0 H PHE A 14 -3.760 12.289 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.038 14.730 0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.849 14.564 -1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.395 13.940 -1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.146 16.913 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.150 15.422 -0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.984 19.231 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.990 17.745 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.404 19.652 -0.449 1.00 0.00 H new ATOM 241 N HIS A 15 -5.924 13.485 1.544 1.00 0.00 N ATOM 242 CA HIS A 15 -6.928 13.597 2.640 1.00 0.00 C ATOM 243 C HIS A 15 -6.372 13.026 3.947 1.00 0.00 C ATOM 244 O HIS A 15 -6.856 13.336 5.018 1.00 0.00 O ATOM 245 CB HIS A 15 -8.182 12.818 2.254 1.00 0.00 C ATOM 246 CG HIS A 15 -9.225 12.982 3.325 1.00 0.00 C ATOM 247 ND1 HIS A 15 -9.392 12.056 4.346 1.00 0.00 N ATOM 248 CD2 HIS A 15 -10.164 13.959 3.547 1.00 0.00 C ATOM 249 CE1 HIS A 15 -10.399 12.491 5.128 1.00 0.00 C ATOM 250 NE2 HIS A 15 -10.901 13.644 4.683 1.00 0.00 N ATOM 0 H HIS A 15 -6.096 12.733 0.877 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.164 14.651 2.788 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.566 13.177 1.299 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.942 11.763 2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.308 14.836 2.934 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.755 11.971 6.005 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -11.666 14.182 5.091 1.00 0.00 H new ATOM 259 N GLN A 16 -5.389 12.170 3.873 1.00 0.00 N ATOM 260 CA GLN A 16 -4.850 11.553 5.113 1.00 0.00 C ATOM 261 C GLN A 16 -4.408 12.625 6.112 1.00 0.00 C ATOM 262 O GLN A 16 -4.650 12.491 7.296 1.00 0.00 O ATOM 263 CB GLN A 16 -3.661 10.657 4.734 1.00 0.00 C ATOM 264 CG GLN A 16 -2.925 10.176 5.987 1.00 0.00 C ATOM 265 CD GLN A 16 -3.916 9.490 6.931 1.00 0.00 C ATOM 266 OE1 GLN A 16 -4.548 8.519 6.566 1.00 0.00 O ATOM 267 NE2 GLN A 16 -4.079 9.956 8.140 1.00 0.00 N ATOM 0 H GLN A 16 -4.938 11.873 3.008 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.630 10.960 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.014 9.799 4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.974 11.208 4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.130 9.483 5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.452 11.019 6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.549 10.771 8.448 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.736 9.505 8.776 1.00 0.00 H new ATOM 276 N TYR A 17 -3.759 13.676 5.670 1.00 0.00 N ATOM 277 CA TYR A 17 -3.301 14.740 6.640 1.00 0.00 C ATOM 278 C TYR A 17 -3.926 16.104 6.309 1.00 0.00 C ATOM 279 O TYR A 17 -4.056 16.954 7.169 1.00 0.00 O ATOM 280 CB TYR A 17 -1.780 14.846 6.570 1.00 0.00 C ATOM 281 CG TYR A 17 -1.382 15.363 5.215 1.00 0.00 C ATOM 282 CD1 TYR A 17 -1.368 14.495 4.122 1.00 0.00 C ATOM 283 CD2 TYR A 17 -1.037 16.707 5.052 1.00 0.00 C ATOM 284 CE1 TYR A 17 -1.008 14.968 2.860 1.00 0.00 C ATOM 285 CE2 TYR A 17 -0.677 17.188 3.793 1.00 0.00 C ATOM 286 CZ TYR A 17 -0.663 16.318 2.690 1.00 0.00 C ATOM 287 OH TYR A 17 -0.308 16.789 1.442 1.00 0.00 O ATOM 0 H TYR A 17 -3.525 13.849 4.692 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.620 14.459 7.644 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.414 15.514 7.349 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.327 13.871 6.748 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.636 13.457 4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.049 17.374 5.901 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.995 14.296 2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.410 18.227 3.667 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.069 16.035 0.864 1.00 0.00 H new ATOM 297 N SER A 18 -4.306 16.333 5.082 1.00 0.00 N ATOM 298 CA SER A 18 -4.906 17.660 4.729 1.00 0.00 C ATOM 299 C SER A 18 -6.214 17.861 5.496 1.00 0.00 C ATOM 300 O SER A 18 -6.512 18.946 5.957 1.00 0.00 O ATOM 301 CB SER A 18 -5.192 17.729 3.228 1.00 0.00 C ATOM 302 OG SER A 18 -6.271 16.860 2.913 1.00 0.00 O ATOM 0 H SER A 18 -4.230 15.668 4.312 1.00 0.00 H new ATOM 0 HA SER A 18 -4.197 18.443 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.438 18.751 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.304 17.444 2.664 1.00 0.00 H new ATOM 0 HG SER A 18 -5.998 16.244 2.201 1.00 0.00 H new ATOM 308 N GLY A 19 -7.000 16.828 5.623 1.00 0.00 N ATOM 309 CA GLY A 19 -8.298 16.954 6.347 1.00 0.00 C ATOM 310 C GLY A 19 -8.051 17.082 7.853 1.00 0.00 C ATOM 311 O GLY A 19 -8.975 17.211 8.631 1.00 0.00 O ATOM 0 H GLY A 19 -6.799 15.898 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.842 17.826 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.922 16.083 6.146 1.00 0.00 H new ATOM 315 N ARG A 20 -6.817 17.040 8.273 1.00 0.00 N ATOM 316 CA ARG A 20 -6.523 17.155 9.731 1.00 0.00 C ATOM 317 C ARG A 20 -7.049 18.493 10.259 1.00 0.00 C ATOM 318 O ARG A 20 -7.678 18.553 11.296 1.00 0.00 O ATOM 319 CB ARG A 20 -5.011 17.076 9.947 1.00 0.00 C ATOM 320 CG ARG A 20 -4.688 17.170 11.440 1.00 0.00 C ATOM 321 CD ARG A 20 -3.176 17.090 11.631 1.00 0.00 C ATOM 322 NE ARG A 20 -2.860 17.050 13.088 1.00 0.00 N ATOM 323 CZ ARG A 20 -1.677 16.673 13.493 1.00 0.00 C ATOM 324 NH1 ARG A 20 -0.771 16.316 12.624 1.00 0.00 N ATOM 325 NH2 ARG A 20 -1.402 16.646 14.769 1.00 0.00 N ATOM 0 H ARG A 20 -6.000 16.931 7.672 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.012 16.342 10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.626 16.140 9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.516 17.884 9.408 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.069 18.106 11.849 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.179 16.362 11.982 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.783 16.201 11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.694 17.951 11.167 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.570 17.318 13.770 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.986 16.331 11.627 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.153 16.022 12.942 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.111 16.919 15.449 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.478 16.352 15.085 1.00 0.00 H new ATOM 339 N GLU A 21 -6.789 19.565 9.550 1.00 0.00 N ATOM 340 CA GLU A 21 -7.262 20.920 9.996 1.00 0.00 C ATOM 341 C GLU A 21 -8.281 21.476 8.995 1.00 0.00 C ATOM 342 O GLU A 21 -8.516 20.911 7.945 1.00 0.00 O ATOM 343 CB GLU A 21 -6.071 21.875 10.083 1.00 0.00 C ATOM 344 CG GLU A 21 -5.322 21.875 8.752 1.00 0.00 C ATOM 345 CD GLU A 21 -4.150 22.857 8.826 1.00 0.00 C ATOM 346 OE1 GLU A 21 -3.112 22.471 9.336 1.00 0.00 O ATOM 347 OE2 GLU A 21 -4.313 23.979 8.375 1.00 0.00 O ATOM 0 H GLU A 21 -6.266 19.562 8.674 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.732 20.826 10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.415 22.882 10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.403 21.569 10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.957 20.873 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.996 22.157 7.943 1.00 0.00 H new ATOM 354 N GLY A 22 -8.902 22.575 9.333 1.00 0.00 N ATOM 355 CA GLY A 22 -9.930 23.180 8.435 1.00 0.00 C ATOM 356 C GLY A 22 -9.381 23.388 7.018 1.00 0.00 C ATOM 357 O GLY A 22 -10.123 23.346 6.056 1.00 0.00 O ATOM 0 H GLY A 22 -8.739 23.085 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.807 22.534 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.256 24.136 8.845 1.00 0.00 H new ATOM 361 N ASP A 23 -8.105 23.625 6.864 1.00 0.00 N ATOM 362 CA ASP A 23 -7.565 23.843 5.495 1.00 0.00 C ATOM 363 C ASP A 23 -7.627 22.532 4.701 1.00 0.00 C ATOM 364 O ASP A 23 -6.681 22.137 4.060 1.00 0.00 O ATOM 365 CB ASP A 23 -6.117 24.329 5.596 1.00 0.00 C ATOM 366 CG ASP A 23 -6.091 25.752 6.154 1.00 0.00 C ATOM 367 OD1 ASP A 23 -7.112 26.415 6.081 1.00 0.00 O ATOM 368 OD2 ASP A 23 -5.049 26.156 6.643 1.00 0.00 O ATOM 0 H ASP A 23 -7.422 23.676 7.620 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.162 24.595 4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.544 23.664 6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.645 24.304 4.614 1.00 0.00 H new ATOM 373 N LYS A 24 -8.740 21.854 4.740 1.00 0.00 N ATOM 374 CA LYS A 24 -8.862 20.575 3.980 1.00 0.00 C ATOM 375 C LYS A 24 -8.812 20.866 2.475 1.00 0.00 C ATOM 376 O LYS A 24 -8.256 20.112 1.703 1.00 0.00 O ATOM 377 CB LYS A 24 -10.196 19.902 4.309 1.00 0.00 C ATOM 378 CG LYS A 24 -10.309 18.591 3.524 1.00 0.00 C ATOM 379 CD LYS A 24 -11.514 17.784 4.022 1.00 0.00 C ATOM 380 CE LYS A 24 -12.809 18.571 3.789 1.00 0.00 C ATOM 381 NZ LYS A 24 -12.993 19.559 4.890 1.00 0.00 N ATOM 0 H LYS A 24 -9.571 22.128 5.264 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.040 19.916 4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.263 19.705 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.023 20.564 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.417 18.803 2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.396 18.007 3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.562 16.828 3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.400 17.563 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.768 19.084 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.659 17.890 3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.955 19.473 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.300 19.373 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.853 20.521 4.520 1.00 0.00 H new ATOM 395 N HIS A 25 -9.428 21.940 2.052 1.00 0.00 N ATOM 396 CA HIS A 25 -9.463 22.270 0.596 1.00 0.00 C ATOM 397 C HIS A 25 -8.132 22.879 0.125 1.00 0.00 C ATOM 398 O HIS A 25 -7.869 22.949 -1.059 1.00 0.00 O ATOM 399 CB HIS A 25 -10.598 23.265 0.341 1.00 0.00 C ATOM 400 CG HIS A 25 -10.293 24.568 1.029 1.00 0.00 C ATOM 401 ND1 HIS A 25 -10.472 24.745 2.394 1.00 0.00 N ATOM 402 CD2 HIS A 25 -9.823 25.768 0.554 1.00 0.00 C ATOM 403 CE1 HIS A 25 -10.114 26.009 2.690 1.00 0.00 C ATOM 404 NE2 HIS A 25 -9.711 26.671 1.605 1.00 0.00 N ATOM 0 H HIS A 25 -9.910 22.606 2.656 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.628 21.350 0.036 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -10.719 23.428 -0.730 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.540 22.859 0.710 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.578 25.978 -0.477 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.149 26.434 3.682 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -9.388 27.637 1.556 1.00 0.00 H new ATOM 413 N LYS A 26 -7.289 23.317 1.026 1.00 0.00 N ATOM 414 CA LYS A 26 -5.976 23.915 0.604 1.00 0.00 C ATOM 415 C LYS A 26 -4.882 23.466 1.572 1.00 0.00 C ATOM 416 O LYS A 26 -5.142 23.138 2.704 1.00 0.00 O ATOM 417 CB LYS A 26 -6.080 25.445 0.606 1.00 0.00 C ATOM 418 CG LYS A 26 -6.422 25.950 2.009 1.00 0.00 C ATOM 419 CD LYS A 26 -6.644 27.465 1.963 1.00 0.00 C ATOM 420 CE LYS A 26 -6.982 27.979 3.365 1.00 0.00 C ATOM 421 NZ LYS A 26 -7.540 29.360 3.271 1.00 0.00 N ATOM 0 H LYS A 26 -7.448 23.289 2.033 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.728 23.578 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.138 25.881 0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.846 25.766 -0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.318 25.451 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.615 25.710 2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.749 27.962 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.453 27.703 1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.704 27.316 3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.088 27.979 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.769 29.708 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.837 29.989 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.403 29.347 2.691 1.00 0.00 H new ATOM 435 N LEU A 27 -3.656 23.432 1.125 1.00 0.00 N ATOM 436 CA LEU A 27 -2.533 22.989 2.013 1.00 0.00 C ATOM 437 C LEU A 27 -1.690 24.192 2.428 1.00 0.00 C ATOM 438 O LEU A 27 -0.972 24.749 1.634 1.00 0.00 O ATOM 439 CB LEU A 27 -1.650 22.003 1.237 1.00 0.00 C ATOM 440 CG LEU A 27 -2.324 20.625 1.182 1.00 0.00 C ATOM 441 CD1 LEU A 27 -1.573 19.747 0.175 1.00 0.00 C ATOM 442 CD2 LEU A 27 -2.300 19.953 2.574 1.00 0.00 C ATOM 0 H LEU A 27 -3.379 23.693 0.179 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.941 22.513 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.478 22.374 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.674 21.921 1.716 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.363 20.746 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.043 18.765 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.606 20.213 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.535 19.638 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.782 18.977 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.267 19.828 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.833 20.579 3.289 1.00 0.00 H new ATOM 454 N LYS A 28 -1.742 24.585 3.671 1.00 0.00 N ATOM 455 CA LYS A 28 -0.906 25.734 4.107 1.00 0.00 C ATOM 456 C LYS A 28 0.507 25.220 4.384 1.00 0.00 C ATOM 457 O LYS A 28 0.686 24.067 4.725 1.00 0.00 O ATOM 458 CB LYS A 28 -1.508 26.342 5.380 1.00 0.00 C ATOM 459 CG LYS A 28 -0.649 27.514 5.866 1.00 0.00 C ATOM 460 CD LYS A 28 -1.390 28.262 6.979 1.00 0.00 C ATOM 461 CE LYS A 28 -0.448 29.274 7.635 1.00 0.00 C ATOM 462 NZ LYS A 28 0.049 30.233 6.608 1.00 0.00 N ATOM 0 H LYS A 28 -2.322 24.163 4.396 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.873 26.502 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.524 26.684 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.573 25.582 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.309 27.148 6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.435 28.190 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.261 28.774 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.756 27.556 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.970 29.812 8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.391 28.757 8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.489 31.049 7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.752 29.761 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.747 30.559 6.023 1.00 0.00 H new ATOM 476 N LYS A 29 1.515 26.050 4.244 1.00 0.00 N ATOM 477 CA LYS A 29 2.913 25.584 4.510 1.00 0.00 C ATOM 478 C LYS A 29 2.920 24.766 5.796 1.00 0.00 C ATOM 479 O LYS A 29 3.796 23.964 6.044 1.00 0.00 O ATOM 480 CB LYS A 29 3.850 26.789 4.660 1.00 0.00 C ATOM 481 CG LYS A 29 3.569 27.553 5.960 1.00 0.00 C ATOM 482 CD LYS A 29 4.370 28.860 5.951 1.00 0.00 C ATOM 483 CE LYS A 29 4.291 29.528 7.325 1.00 0.00 C ATOM 484 NZ LYS A 29 2.882 29.926 7.599 1.00 0.00 N ATOM 0 H LYS A 29 1.430 27.025 3.958 1.00 0.00 H new ATOM 0 HA LYS A 29 3.260 24.973 3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.886 26.450 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.726 27.458 3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.504 27.765 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.847 26.946 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.410 28.658 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.978 29.532 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.644 28.843 8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.940 30.403 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.819 30.350 8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.573 30.619 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.269 29.087 7.554 1.00 0.00 H new ATOM 498 N SER A 30 1.930 24.975 6.606 1.00 0.00 N ATOM 499 CA SER A 30 1.835 24.220 7.888 1.00 0.00 C ATOM 500 C SER A 30 1.409 22.776 7.605 1.00 0.00 C ATOM 501 O SER A 30 2.006 21.839 8.096 1.00 0.00 O ATOM 502 CB SER A 30 0.805 24.888 8.800 1.00 0.00 C ATOM 503 OG SER A 30 -0.489 24.743 8.230 1.00 0.00 O ATOM 0 H SER A 30 1.175 25.640 6.439 1.00 0.00 H new ATOM 0 HA SER A 30 2.808 24.219 8.379 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.832 24.435 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.044 25.944 8.926 1.00 0.00 H new ATOM 0 HG SER A 30 -1.153 25.168 8.812 1.00 0.00 H new ATOM 509 N GLU A 31 0.392 22.584 6.806 1.00 0.00 N ATOM 510 CA GLU A 31 -0.049 21.199 6.490 1.00 0.00 C ATOM 511 C GLU A 31 1.014 20.550 5.613 1.00 0.00 C ATOM 512 O GLU A 31 1.273 19.367 5.698 1.00 0.00 O ATOM 513 CB GLU A 31 -1.378 21.230 5.739 1.00 0.00 C ATOM 514 CG GLU A 31 -2.480 21.748 6.660 1.00 0.00 C ATOM 515 CD GLU A 31 -3.799 21.784 5.890 1.00 0.00 C ATOM 516 OE1 GLU A 31 -3.919 22.616 5.008 1.00 0.00 O ATOM 517 OE2 GLU A 31 -4.665 20.980 6.195 1.00 0.00 O ATOM 0 H GLU A 31 -0.149 23.326 6.361 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.183 20.633 7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.295 21.870 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.629 20.231 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.573 21.104 7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.229 22.745 7.023 1.00 0.00 H new ATOM 524 N LEU A 32 1.634 21.328 4.771 1.00 0.00 N ATOM 525 CA LEU A 32 2.688 20.775 3.884 1.00 0.00 C ATOM 526 C LEU A 32 3.797 20.190 4.751 1.00 0.00 C ATOM 527 O LEU A 32 4.329 19.143 4.465 1.00 0.00 O ATOM 528 CB LEU A 32 3.254 21.903 3.014 1.00 0.00 C ATOM 529 CG LEU A 32 4.350 21.364 2.084 1.00 0.00 C ATOM 530 CD1 LEU A 32 3.775 20.277 1.161 1.00 0.00 C ATOM 531 CD2 LEU A 32 4.902 22.523 1.244 1.00 0.00 C ATOM 0 H LEU A 32 1.454 22.326 4.660 1.00 0.00 H new ATOM 0 HA LEU A 32 2.273 19.998 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.455 22.351 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.661 22.690 3.648 1.00 0.00 H new ATOM 0 HG LEU A 32 5.150 20.925 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.562 19.902 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.384 19.457 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.971 20.700 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.682 22.151 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.097 22.959 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.320 23.284 1.904 1.00 0.00 H new ATOM 543 N LYS A 33 4.141 20.857 5.813 1.00 0.00 N ATOM 544 CA LYS A 33 5.210 20.330 6.705 1.00 0.00 C ATOM 545 C LYS A 33 4.793 18.961 7.251 1.00 0.00 C ATOM 546 O LYS A 33 5.601 18.064 7.381 1.00 0.00 O ATOM 547 CB LYS A 33 5.444 21.297 7.871 1.00 0.00 C ATOM 548 CG LYS A 33 6.591 20.776 8.747 1.00 0.00 C ATOM 549 CD LYS A 33 6.829 21.740 9.909 1.00 0.00 C ATOM 550 CE LYS A 33 8.011 21.247 10.748 1.00 0.00 C ATOM 551 NZ LYS A 33 8.234 22.181 11.889 1.00 0.00 N ATOM 0 H LYS A 33 3.730 21.744 6.103 1.00 0.00 H new ATOM 0 HA LYS A 33 6.133 20.230 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.685 22.290 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.535 21.395 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.349 19.784 9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.499 20.676 8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.032 22.741 9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.934 21.809 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.813 20.242 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.908 21.187 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.037 21.847 12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.441 23.132 11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.380 22.216 12.481 1.00 0.00 H new ATOM 565 N GLU A 34 3.542 18.800 7.589 1.00 0.00 N ATOM 566 CA GLU A 34 3.084 17.495 8.146 1.00 0.00 C ATOM 567 C GLU A 34 3.289 16.399 7.105 1.00 0.00 C ATOM 568 O GLU A 34 3.685 15.296 7.412 1.00 0.00 O ATOM 569 CB GLU A 34 1.605 17.585 8.532 1.00 0.00 C ATOM 570 CG GLU A 34 1.454 18.494 9.756 1.00 0.00 C ATOM 571 CD GLU A 34 -0.022 18.594 10.145 1.00 0.00 C ATOM 572 OE1 GLU A 34 -0.823 17.901 9.539 1.00 0.00 O ATOM 573 OE2 GLU A 34 -0.327 19.365 11.040 1.00 0.00 O ATOM 0 H GLU A 34 2.819 19.514 7.504 1.00 0.00 H new ATOM 0 HA GLU A 34 3.665 17.256 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.023 17.979 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.214 16.592 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.034 18.097 10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.850 19.485 9.536 1.00 0.00 H new ATOM 580 N LEU A 35 3.022 16.694 5.874 1.00 0.00 N ATOM 581 CA LEU A 35 3.219 15.675 4.813 1.00 0.00 C ATOM 582 C LEU A 35 4.688 15.278 4.816 1.00 0.00 C ATOM 583 O LEU A 35 5.039 14.127 4.830 1.00 0.00 O ATOM 584 CB LEU A 35 2.835 16.336 3.467 1.00 0.00 C ATOM 585 CG LEU A 35 3.160 15.485 2.201 1.00 0.00 C ATOM 586 CD1 LEU A 35 4.570 15.803 1.672 1.00 0.00 C ATOM 587 CD2 LEU A 35 3.038 13.980 2.458 1.00 0.00 C ATOM 0 H LEU A 35 2.675 17.597 5.552 1.00 0.00 H new ATOM 0 HA LEU A 35 2.609 14.786 4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.767 16.552 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.353 17.292 3.387 1.00 0.00 H new ATOM 0 HG LEU A 35 2.418 15.757 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.773 15.197 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.630 16.859 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.307 15.579 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.275 13.435 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.733 13.688 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.020 13.745 2.767 1.00 0.00 H new ATOM 599 N ILE A 36 5.551 16.243 4.791 1.00 0.00 N ATOM 600 CA ILE A 36 7.008 15.954 4.750 1.00 0.00 C ATOM 601 C ILE A 36 7.572 15.467 6.091 1.00 0.00 C ATOM 602 O ILE A 36 8.356 14.540 6.137 1.00 0.00 O ATOM 603 CB ILE A 36 7.737 17.240 4.353 1.00 0.00 C ATOM 604 CG1 ILE A 36 7.294 17.668 2.950 1.00 0.00 C ATOM 605 CG2 ILE A 36 9.249 17.012 4.377 1.00 0.00 C ATOM 606 CD1 ILE A 36 7.822 19.073 2.646 1.00 0.00 C ATOM 0 H ILE A 36 5.310 17.234 4.797 1.00 0.00 H new ATOM 0 HA ILE A 36 7.161 15.150 4.030 1.00 0.00 H new ATOM 0 HB ILE A 36 7.489 18.028 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.667 16.961 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.206 17.656 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.760 17.932 4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.557 16.720 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.509 16.221 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.504 19.373 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.427 19.777 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.911 19.071 2.695 1.00 0.00 H new ATOM 618 N ASN A 37 7.252 16.120 7.169 1.00 0.00 N ATOM 619 CA ASN A 37 7.860 15.719 8.474 1.00 0.00 C ATOM 620 C ASN A 37 7.201 14.482 9.086 1.00 0.00 C ATOM 621 O ASN A 37 7.863 13.629 9.643 1.00 0.00 O ATOM 622 CB ASN A 37 7.734 16.882 9.459 1.00 0.00 C ATOM 623 CG ASN A 37 8.485 16.536 10.746 1.00 0.00 C ATOM 624 OD1 ASN A 37 7.882 16.351 11.785 1.00 0.00 O ATOM 625 ND2 ASN A 37 9.786 16.431 10.719 1.00 0.00 N ATOM 0 H ASN A 37 6.604 16.906 7.209 1.00 0.00 H new ATOM 0 HA ASN A 37 8.903 15.470 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.142 17.792 9.019 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.684 17.077 9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.296 16.194 11.570 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.292 16.586 9.847 1.00 0.00 H new ATOM 632 N ASN A 38 5.906 14.412 9.055 1.00 0.00 N ATOM 633 CA ASN A 38 5.194 13.265 9.714 1.00 0.00 C ATOM 634 C ASN A 38 4.842 12.126 8.752 1.00 0.00 C ATOM 635 O ASN A 38 4.795 10.980 9.152 1.00 0.00 O ATOM 636 CB ASN A 38 3.899 13.791 10.329 1.00 0.00 C ATOM 637 CG ASN A 38 4.233 14.860 11.367 1.00 0.00 C ATOM 638 OD1 ASN A 38 3.350 15.456 11.949 1.00 0.00 O ATOM 639 ND2 ASN A 38 5.485 15.133 11.615 1.00 0.00 N ATOM 0 H ASN A 38 5.299 15.096 8.603 1.00 0.00 H new ATOM 0 HA ASN A 38 5.874 12.855 10.461 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.257 14.209 9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.346 12.975 10.795 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.725 15.850 12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.224 14.630 11.124 1.00 0.00 H new ATOM 646 N GLU A 39 4.549 12.402 7.512 1.00 0.00 N ATOM 647 CA GLU A 39 4.153 11.287 6.596 1.00 0.00 C ATOM 648 C GLU A 39 5.392 10.634 5.972 1.00 0.00 C ATOM 649 O GLU A 39 5.296 9.584 5.368 1.00 0.00 O ATOM 650 CB GLU A 39 3.240 11.837 5.490 1.00 0.00 C ATOM 651 CG GLU A 39 2.331 10.724 4.962 1.00 0.00 C ATOM 652 CD GLU A 39 1.266 10.398 6.013 1.00 0.00 C ATOM 653 OE1 GLU A 39 1.155 11.152 6.966 1.00 0.00 O ATOM 654 OE2 GLU A 39 0.580 9.404 5.847 1.00 0.00 O ATOM 0 H GLU A 39 4.565 13.333 7.095 1.00 0.00 H new ATOM 0 HA GLU A 39 3.619 10.531 7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.637 12.657 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.843 12.242 4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.857 11.037 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.919 9.835 4.736 1.00 0.00 H new ATOM 661 N LEU A 40 6.551 11.232 6.118 1.00 0.00 N ATOM 662 CA LEU A 40 7.798 10.626 5.535 1.00 0.00 C ATOM 663 C LEU A 40 8.724 10.193 6.672 1.00 0.00 C ATOM 664 O LEU A 40 9.877 10.573 6.725 1.00 0.00 O ATOM 665 CB LEU A 40 8.524 11.649 4.650 1.00 0.00 C ATOM 666 CG LEU A 40 7.543 12.282 3.656 1.00 0.00 C ATOM 667 CD1 LEU A 40 8.304 13.207 2.705 1.00 0.00 C ATOM 668 CD2 LEU A 40 6.835 11.195 2.840 1.00 0.00 C ATOM 0 H LEU A 40 6.690 12.112 6.614 1.00 0.00 H new ATOM 0 HA LEU A 40 7.524 9.764 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.974 12.424 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.336 11.162 4.110 1.00 0.00 H new ATOM 0 HG LEU A 40 6.799 12.852 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.606 13.657 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.797 13.992 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.052 12.632 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.142 11.660 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.574 10.615 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.284 10.536 3.512 1.00 0.00 H new ATOM 680 N SER A 41 8.228 9.402 7.587 1.00 0.00 N ATOM 681 CA SER A 41 9.083 8.950 8.723 1.00 0.00 C ATOM 682 C SER A 41 10.316 8.222 8.178 1.00 0.00 C ATOM 683 O SER A 41 10.257 7.068 7.803 1.00 0.00 O ATOM 684 CB SER A 41 8.284 8.002 9.619 1.00 0.00 C ATOM 685 OG SER A 41 7.598 7.056 8.811 1.00 0.00 O ATOM 0 H SER A 41 7.271 9.050 7.597 1.00 0.00 H new ATOM 0 HA SER A 41 9.401 9.816 9.304 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.952 7.489 10.312 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.572 8.566 10.221 1.00 0.00 H new ATOM 0 HG SER A 41 8.233 6.625 8.202 1.00 0.00 H new ATOM 691 N HIS A 42 11.432 8.902 8.134 1.00 0.00 N ATOM 692 CA HIS A 42 12.694 8.286 7.619 1.00 0.00 C ATOM 693 C HIS A 42 12.489 7.734 6.205 1.00 0.00 C ATOM 694 O HIS A 42 13.416 7.251 5.585 1.00 0.00 O ATOM 695 CB HIS A 42 13.140 7.154 8.548 1.00 0.00 C ATOM 696 CG HIS A 42 13.638 7.734 9.842 1.00 0.00 C ATOM 697 ND1 HIS A 42 12.776 8.144 10.849 1.00 0.00 N ATOM 698 CD2 HIS A 42 14.906 7.979 10.310 1.00 0.00 C ATOM 699 CE1 HIS A 42 13.529 8.610 11.863 1.00 0.00 C ATOM 700 NE2 HIS A 42 14.832 8.532 11.583 1.00 0.00 N ATOM 0 H HIS A 42 11.525 9.872 8.437 1.00 0.00 H new ATOM 0 HA HIS A 42 13.463 9.057 7.588 1.00 0.00 H new ATOM 0 HB2 HIS A 42 12.308 6.476 8.738 1.00 0.00 H new ATOM 0 HB3 HIS A 42 13.927 6.568 8.073 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.820 7.774 9.772 1.00 0.00 H new ATOM 0 HE1 HIS A 42 13.129 8.999 12.788 1.00 0.00 H new ATOM 0 HE2 HIS A 42 15.610 8.818 12.178 1.00 0.00 H new ATOM 709 N PHE A 43 11.300 7.813 5.677 1.00 0.00 N ATOM 710 CA PHE A 43 11.077 7.302 4.298 1.00 0.00 C ATOM 711 C PHE A 43 11.796 8.242 3.323 1.00 0.00 C ATOM 712 O PHE A 43 12.395 7.815 2.355 1.00 0.00 O ATOM 713 CB PHE A 43 9.568 7.248 4.013 1.00 0.00 C ATOM 714 CG PHE A 43 9.273 7.057 2.533 1.00 0.00 C ATOM 715 CD1 PHE A 43 10.152 6.348 1.692 1.00 0.00 C ATOM 716 CD2 PHE A 43 8.094 7.599 1.999 1.00 0.00 C ATOM 717 CE1 PHE A 43 9.847 6.190 0.336 1.00 0.00 C ATOM 718 CE2 PHE A 43 7.795 7.438 0.642 1.00 0.00 C ATOM 719 CZ PHE A 43 8.672 6.735 -0.189 1.00 0.00 C ATOM 0 H PHE A 43 10.479 8.206 6.137 1.00 0.00 H new ATOM 0 HA PHE A 43 11.474 6.294 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.121 6.431 4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.101 8.170 4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.061 5.926 2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.414 8.143 2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.522 5.645 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.886 7.857 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.442 6.613 -1.237 1.00 0.00 H new ATOM 729 N LEU A 44 11.756 9.526 3.595 1.00 0.00 N ATOM 730 CA LEU A 44 12.449 10.526 2.718 1.00 0.00 C ATOM 731 C LEU A 44 13.309 11.438 3.600 1.00 0.00 C ATOM 732 O LEU A 44 13.863 11.011 4.593 1.00 0.00 O ATOM 733 CB LEU A 44 11.412 11.380 1.973 1.00 0.00 C ATOM 734 CG LEU A 44 12.061 12.023 0.721 1.00 0.00 C ATOM 735 CD1 LEU A 44 11.904 11.091 -0.484 1.00 0.00 C ATOM 736 CD2 LEU A 44 11.385 13.365 0.410 1.00 0.00 C ATOM 0 H LEU A 44 11.268 9.928 4.395 1.00 0.00 H new ATOM 0 HA LEU A 44 13.070 10.004 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.564 10.762 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.026 12.157 2.633 1.00 0.00 H new ATOM 0 HG LEU A 44 13.120 12.187 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.362 11.549 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.393 10.140 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.845 10.920 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.847 13.810 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.324 13.203 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.503 14.037 1.260 1.00 0.00 H new ATOM 748 N GLU A 45 13.415 12.697 3.254 1.00 0.00 N ATOM 749 CA GLU A 45 14.227 13.632 4.088 1.00 0.00 C ATOM 750 C GLU A 45 13.303 14.328 5.085 1.00 0.00 C ATOM 751 O GLU A 45 12.535 15.201 4.731 1.00 0.00 O ATOM 752 CB GLU A 45 14.882 14.694 3.200 1.00 0.00 C ATOM 753 CG GLU A 45 15.797 15.572 4.059 1.00 0.00 C ATOM 754 CD GLU A 45 16.460 16.638 3.188 1.00 0.00 C ATOM 755 OE1 GLU A 45 16.343 16.546 1.978 1.00 0.00 O ATOM 756 OE2 GLU A 45 17.071 17.530 3.750 1.00 0.00 O ATOM 0 H GLU A 45 12.976 13.115 2.434 1.00 0.00 H new ATOM 0 HA GLU A 45 15.002 13.070 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.456 14.217 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.118 15.305 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.220 16.046 4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.558 14.958 4.540 1.00 0.00 H new ATOM 763 N GLU A 46 13.377 13.961 6.329 1.00 0.00 N ATOM 764 CA GLU A 46 12.509 14.616 7.342 1.00 0.00 C ATOM 765 C GLU A 46 12.957 16.069 7.519 1.00 0.00 C ATOM 766 O GLU A 46 14.133 16.351 7.617 1.00 0.00 O ATOM 767 CB GLU A 46 12.640 13.880 8.679 1.00 0.00 C ATOM 768 CG GLU A 46 11.679 14.493 9.701 1.00 0.00 C ATOM 769 CD GLU A 46 11.810 13.757 11.035 1.00 0.00 C ATOM 770 OE1 GLU A 46 12.472 12.733 11.062 1.00 0.00 O ATOM 771 OE2 GLU A 46 11.236 14.224 12.005 1.00 0.00 O ATOM 0 H GLU A 46 13.999 13.237 6.689 1.00 0.00 H new ATOM 0 HA GLU A 46 11.471 14.586 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.418 12.821 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.665 13.947 9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.902 15.552 9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.654 14.426 9.337 1.00 0.00 H new ATOM 778 N ILE A 47 12.033 16.993 7.592 1.00 0.00 N ATOM 779 CA ILE A 47 12.418 18.420 7.802 1.00 0.00 C ATOM 780 C ILE A 47 12.388 18.686 9.301 1.00 0.00 C ATOM 781 O ILE A 47 11.494 18.250 10.000 1.00 0.00 O ATOM 782 CB ILE A 47 11.455 19.351 7.060 1.00 0.00 C ATOM 783 CG1 ILE A 47 11.715 19.216 5.554 1.00 0.00 C ATOM 784 CG2 ILE A 47 11.696 20.800 7.508 1.00 0.00 C ATOM 785 CD1 ILE A 47 10.705 20.050 4.770 1.00 0.00 C ATOM 0 H ILE A 47 11.031 16.821 7.515 1.00 0.00 H new ATOM 0 HA ILE A 47 13.416 18.611 7.407 1.00 0.00 H new ATOM 0 HB ILE A 47 10.422 19.083 7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.728 19.544 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 47 11.643 18.170 5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.011 21.463 6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.525 20.882 8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.723 21.085 7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.899 19.947 3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.696 19.702 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.798 21.098 5.056 1.00 0.00 H new ATOM 797 N LYS A 48 13.387 19.356 9.807 1.00 0.00 N ATOM 798 CA LYS A 48 13.469 19.612 11.276 1.00 0.00 C ATOM 799 C LYS A 48 13.222 21.092 11.583 1.00 0.00 C ATOM 800 O LYS A 48 12.841 21.441 12.684 1.00 0.00 O ATOM 801 CB LYS A 48 14.874 19.201 11.748 1.00 0.00 C ATOM 802 CG LYS A 48 15.338 17.933 10.980 1.00 0.00 C ATOM 803 CD LYS A 48 16.210 18.318 9.774 1.00 0.00 C ATOM 804 CE LYS A 48 16.767 17.054 9.119 1.00 0.00 C ATOM 805 NZ LYS A 48 17.889 16.521 9.940 1.00 0.00 N ATOM 0 H LYS A 48 14.158 19.741 9.261 1.00 0.00 H new ATOM 0 HA LYS A 48 12.706 19.034 11.797 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.577 20.017 11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 48 14.864 19.005 12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.901 17.282 11.649 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.469 17.368 10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.621 18.884 9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.027 18.964 10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.982 16.304 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.115 17.277 8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.956 15.491 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.780 16.967 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.716 16.732 10.944 1.00 0.00 H new ATOM 819 N GLU A 49 13.442 21.965 10.629 1.00 0.00 N ATOM 820 CA GLU A 49 13.232 23.427 10.867 1.00 0.00 C ATOM 821 C GLU A 49 12.186 23.970 9.882 1.00 0.00 C ATOM 822 O GLU A 49 12.186 23.648 8.710 1.00 0.00 O ATOM 823 CB GLU A 49 14.568 24.149 10.679 1.00 0.00 C ATOM 824 CG GLU A 49 14.442 25.604 11.134 1.00 0.00 C ATOM 825 CD GLU A 49 14.279 25.654 12.654 1.00 0.00 C ATOM 826 OE1 GLU A 49 14.632 24.680 13.299 1.00 0.00 O ATOM 827 OE2 GLU A 49 13.802 26.663 13.146 1.00 0.00 O ATOM 0 H GLU A 49 13.760 21.725 9.690 1.00 0.00 H new ATOM 0 HA GLU A 49 12.867 23.594 11.880 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.347 23.646 11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.868 24.111 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.326 26.167 10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.585 26.074 10.651 1.00 0.00 H new ATOM 834 N GLN A 50 11.291 24.786 10.368 1.00 0.00 N ATOM 835 CA GLN A 50 10.214 25.372 9.508 1.00 0.00 C ATOM 836 C GLN A 50 10.820 26.209 8.374 1.00 0.00 C ATOM 837 O GLN A 50 10.207 26.403 7.347 1.00 0.00 O ATOM 838 CB GLN A 50 9.330 26.268 10.383 1.00 0.00 C ATOM 839 CG GLN A 50 8.108 26.749 9.594 1.00 0.00 C ATOM 840 CD GLN A 50 7.164 25.574 9.337 1.00 0.00 C ATOM 841 OE1 GLN A 50 6.716 24.926 10.262 1.00 0.00 O ATOM 842 NE2 GLN A 50 6.834 25.276 8.111 1.00 0.00 N ATOM 0 H GLN A 50 11.257 25.079 11.344 1.00 0.00 H new ATOM 0 HA GLN A 50 9.628 24.566 9.065 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.006 25.718 11.267 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.905 27.125 10.734 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.589 27.530 10.150 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.424 27.188 8.648 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.210 25.820 7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.199 24.499 7.928 1.00 0.00 H new ATOM 851 N GLU A 51 12.000 26.731 8.559 1.00 0.00 N ATOM 852 CA GLU A 51 12.613 27.584 7.495 1.00 0.00 C ATOM 853 C GLU A 51 12.771 26.781 6.207 1.00 0.00 C ATOM 854 O GLU A 51 12.584 27.298 5.129 1.00 0.00 O ATOM 855 CB GLU A 51 13.981 28.098 7.964 1.00 0.00 C ATOM 856 CG GLU A 51 14.991 26.948 8.005 1.00 0.00 C ATOM 857 CD GLU A 51 16.272 27.421 8.693 1.00 0.00 C ATOM 858 OE1 GLU A 51 16.475 28.622 8.765 1.00 0.00 O ATOM 859 OE2 GLU A 51 17.029 26.573 9.136 1.00 0.00 O ATOM 0 H GLU A 51 12.568 26.606 9.397 1.00 0.00 H new ATOM 0 HA GLU A 51 11.960 28.435 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.335 28.879 7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.890 28.547 8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.569 26.098 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.213 26.608 6.993 1.00 0.00 H new ATOM 866 N VAL A 52 13.100 25.525 6.298 1.00 0.00 N ATOM 867 CA VAL A 52 13.243 24.720 5.055 1.00 0.00 C ATOM 868 C VAL A 52 11.910 24.730 4.332 1.00 0.00 C ATOM 869 O VAL A 52 11.847 24.816 3.129 1.00 0.00 O ATOM 870 CB VAL A 52 13.622 23.286 5.408 1.00 0.00 C ATOM 871 CG1 VAL A 52 13.662 22.433 4.138 1.00 0.00 C ATOM 872 CG2 VAL A 52 14.993 23.277 6.076 1.00 0.00 C ATOM 0 H VAL A 52 13.275 25.024 7.169 1.00 0.00 H new ATOM 0 HA VAL A 52 14.023 25.142 4.421 1.00 0.00 H new ATOM 0 HB VAL A 52 12.880 22.872 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.933 21.409 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.680 22.440 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.401 22.841 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.267 22.253 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.734 23.692 5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.959 23.879 6.984 1.00 0.00 H new ATOM 882 N VAL A 53 10.848 24.631 5.067 1.00 0.00 N ATOM 883 CA VAL A 53 9.501 24.629 4.448 1.00 0.00 C ATOM 884 C VAL A 53 9.222 25.981 3.796 1.00 0.00 C ATOM 885 O VAL A 53 8.544 26.059 2.801 1.00 0.00 O ATOM 886 CB VAL A 53 8.466 24.365 5.528 1.00 0.00 C ATOM 887 CG1 VAL A 53 7.092 24.210 4.895 1.00 0.00 C ATOM 888 CG2 VAL A 53 8.826 23.085 6.253 1.00 0.00 C ATOM 0 H VAL A 53 10.854 24.550 6.084 1.00 0.00 H new ATOM 0 HA VAL A 53 9.453 23.853 3.684 1.00 0.00 H new ATOM 0 HB VAL A 53 8.449 25.200 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.352 24.021 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.832 25.124 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.106 23.374 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.088 22.887 7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.838 22.257 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.812 23.189 6.706 1.00 0.00 H new ATOM 898 N ASP A 54 9.720 27.042 4.364 1.00 0.00 N ATOM 899 CA ASP A 54 9.477 28.393 3.784 1.00 0.00 C ATOM 900 C ASP A 54 10.182 28.507 2.432 1.00 0.00 C ATOM 901 O ASP A 54 9.684 29.097 1.495 1.00 0.00 O ATOM 902 CB ASP A 54 10.020 29.462 4.734 1.00 0.00 C ATOM 903 CG ASP A 54 9.148 29.523 5.990 1.00 0.00 C ATOM 904 OD1 ASP A 54 8.017 29.070 5.925 1.00 0.00 O ATOM 905 OD2 ASP A 54 9.628 30.020 6.996 1.00 0.00 O ATOM 0 H ASP A 54 10.289 27.032 5.211 1.00 0.00 H new ATOM 0 HA ASP A 54 8.406 28.539 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.050 29.232 5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.030 30.433 4.238 1.00 0.00 H new ATOM 910 N LYS A 55 11.343 27.946 2.341 1.00 0.00 N ATOM 911 CA LYS A 55 12.114 27.998 1.066 1.00 0.00 C ATOM 912 C LYS A 55 11.407 27.118 0.042 1.00 0.00 C ATOM 913 O LYS A 55 11.284 27.451 -1.124 1.00 0.00 O ATOM 914 CB LYS A 55 13.538 27.488 1.312 1.00 0.00 C ATOM 915 CG LYS A 55 14.356 27.587 0.022 1.00 0.00 C ATOM 916 CD LYS A 55 15.776 27.076 0.277 1.00 0.00 C ATOM 917 CE LYS A 55 16.612 27.224 -0.996 1.00 0.00 C ATOM 918 NZ LYS A 55 16.096 26.297 -2.042 1.00 0.00 N ATOM 0 H LYS A 55 11.803 27.445 3.101 1.00 0.00 H new ATOM 0 HA LYS A 55 12.170 29.021 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.012 28.073 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.509 26.454 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.884 27.001 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.387 28.620 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.234 27.637 1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.747 26.031 0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.569 28.253 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.658 27.003 -0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.895 25.875 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.537 25.544 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.496 26.824 -2.708 1.00 0.00 H new ATOM 932 N VAL A 56 10.921 26.002 0.492 1.00 0.00 N ATOM 933 CA VAL A 56 10.195 25.077 -0.411 1.00 0.00 C ATOM 934 C VAL A 56 8.907 25.766 -0.839 1.00 0.00 C ATOM 935 O VAL A 56 8.408 25.573 -1.930 1.00 0.00 O ATOM 936 CB VAL A 56 9.896 23.771 0.332 1.00 0.00 C ATOM 937 CG1 VAL A 56 8.882 22.943 -0.456 1.00 0.00 C ATOM 938 CG2 VAL A 56 11.192 22.971 0.478 1.00 0.00 C ATOM 0 H VAL A 56 10.997 25.687 1.459 1.00 0.00 H new ATOM 0 HA VAL A 56 10.792 24.835 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 56 9.485 24.001 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.675 22.016 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.958 23.511 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.288 22.711 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.987 22.040 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.595 22.747 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.919 23.556 1.042 1.00 0.00 H new ATOM 948 N MET A 57 8.383 26.593 0.018 1.00 0.00 N ATOM 949 CA MET A 57 7.141 27.334 -0.320 1.00 0.00 C ATOM 950 C MET A 57 7.449 28.244 -1.501 1.00 0.00 C ATOM 951 O MET A 57 6.642 28.433 -2.375 1.00 0.00 O ATOM 952 CB MET A 57 6.686 28.168 0.902 1.00 0.00 C ATOM 953 CG MET A 57 5.529 27.480 1.681 1.00 0.00 C ATOM 954 SD MET A 57 3.985 28.391 1.363 1.00 0.00 S ATOM 955 CE MET A 57 2.868 27.000 1.051 1.00 0.00 C ATOM 0 H MET A 57 8.764 26.788 0.944 1.00 0.00 H new ATOM 0 HA MET A 57 6.337 26.646 -0.581 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.532 28.321 1.571 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.362 29.153 0.568 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.427 26.442 1.365 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.747 27.468 2.749 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.197 27.249 0.229 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.451 26.117 0.789 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.283 26.795 1.947 1.00 0.00 H new ATOM 965 N GLU A 58 8.614 28.806 -1.550 1.00 0.00 N ATOM 966 CA GLU A 58 8.926 29.689 -2.697 1.00 0.00 C ATOM 967 C GLU A 58 8.707 28.885 -3.976 1.00 0.00 C ATOM 968 O GLU A 58 8.187 29.380 -4.956 1.00 0.00 O ATOM 969 CB GLU A 58 10.387 30.135 -2.620 1.00 0.00 C ATOM 970 CG GLU A 58 10.649 31.190 -3.695 1.00 0.00 C ATOM 971 CD GLU A 58 12.109 31.642 -3.627 1.00 0.00 C ATOM 972 OE1 GLU A 58 12.804 31.204 -2.725 1.00 0.00 O ATOM 973 OE2 GLU A 58 12.508 32.415 -4.481 1.00 0.00 O ATOM 0 H GLU A 58 9.355 28.696 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 58 8.287 30.572 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.603 30.543 -1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.048 29.281 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.430 30.781 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.987 32.043 -3.550 1.00 0.00 H new ATOM 980 N THR A 59 9.096 27.641 -3.965 1.00 0.00 N ATOM 981 CA THR A 59 8.908 26.787 -5.172 1.00 0.00 C ATOM 982 C THR A 59 7.463 26.275 -5.284 1.00 0.00 C ATOM 983 O THR A 59 6.896 26.240 -6.358 1.00 0.00 O ATOM 984 CB THR A 59 9.857 25.591 -5.089 1.00 0.00 C ATOM 985 OG1 THR A 59 11.199 26.055 -5.044 1.00 0.00 O ATOM 986 CG2 THR A 59 9.664 24.691 -6.310 1.00 0.00 C ATOM 0 H THR A 59 9.537 27.177 -3.171 1.00 0.00 H new ATOM 0 HA THR A 59 9.123 27.391 -6.053 1.00 0.00 H new ATOM 0 HB THR A 59 9.640 25.019 -4.187 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.808 25.289 -4.989 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.343 23.840 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.635 24.333 -6.339 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.877 25.257 -7.217 1.00 0.00 H new ATOM 994 N LEU A 60 6.872 25.842 -4.199 1.00 0.00 N ATOM 995 CA LEU A 60 5.478 25.296 -4.268 1.00 0.00 C ATOM 996 C LEU A 60 4.448 26.409 -4.096 1.00 0.00 C ATOM 997 O LEU A 60 3.289 26.239 -4.419 1.00 0.00 O ATOM 998 CB LEU A 60 5.290 24.245 -3.157 1.00 0.00 C ATOM 999 CG LEU A 60 5.750 22.862 -3.651 1.00 0.00 C ATOM 1000 CD1 LEU A 60 6.041 21.951 -2.442 1.00 0.00 C ATOM 1001 CD2 LEU A 60 4.653 22.230 -4.548 1.00 0.00 C ATOM 0 H LEU A 60 7.292 25.842 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 60 5.330 24.838 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.861 24.532 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.242 24.203 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 60 6.661 22.973 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.367 20.972 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.826 22.397 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.136 21.839 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.985 21.251 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.733 22.119 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.469 22.875 -5.407 1.00 0.00 H new ATOM 1013 N ASP A 61 4.841 27.543 -3.602 1.00 0.00 N ATOM 1014 CA ASP A 61 3.850 28.640 -3.434 1.00 0.00 C ATOM 1015 C ASP A 61 3.672 29.312 -4.785 1.00 0.00 C ATOM 1016 O ASP A 61 3.900 30.493 -4.952 1.00 0.00 O ATOM 1017 CB ASP A 61 4.334 29.655 -2.398 1.00 0.00 C ATOM 1018 CG ASP A 61 3.194 30.614 -2.064 1.00 0.00 C ATOM 1019 OD1 ASP A 61 2.199 30.590 -2.771 1.00 0.00 O ATOM 1020 OD2 ASP A 61 3.332 31.356 -1.106 1.00 0.00 O ATOM 0 H ASP A 61 5.794 27.760 -3.309 1.00 0.00 H new ATOM 0 HA ASP A 61 2.902 28.236 -3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.669 29.141 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.189 30.209 -2.786 1.00 0.00 H new ATOM 1025 N GLU A 62 3.270 28.543 -5.751 1.00 0.00 N ATOM 1026 CA GLU A 62 3.068 29.085 -7.115 1.00 0.00 C ATOM 1027 C GLU A 62 2.012 30.183 -7.040 1.00 0.00 C ATOM 1028 O GLU A 62 2.105 31.203 -7.693 1.00 0.00 O ATOM 1029 CB GLU A 62 2.578 27.959 -8.025 1.00 0.00 C ATOM 1030 CG GLU A 62 3.502 26.745 -7.876 1.00 0.00 C ATOM 1031 CD GLU A 62 3.013 25.616 -8.786 1.00 0.00 C ATOM 1032 OE1 GLU A 62 1.924 25.743 -9.322 1.00 0.00 O ATOM 1033 OE2 GLU A 62 3.738 24.646 -8.935 1.00 0.00 O ATOM 0 H GLU A 62 3.070 27.548 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 62 3.998 29.491 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.555 27.686 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.565 28.294 -9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.524 27.019 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.516 26.410 -6.839 1.00 0.00 H new ATOM 1040 N ASP A 63 1.012 29.978 -6.231 1.00 0.00 N ATOM 1041 CA ASP A 63 -0.057 31.002 -6.086 1.00 0.00 C ATOM 1042 C ASP A 63 0.498 32.176 -5.279 1.00 0.00 C ATOM 1043 O ASP A 63 -0.105 33.227 -5.193 1.00 0.00 O ATOM 1044 CB ASP A 63 -1.242 30.392 -5.332 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.643 29.067 -5.983 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -0.866 28.557 -6.772 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -2.721 28.583 -5.678 1.00 0.00 O ATOM 0 H ASP A 63 0.889 29.141 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.385 31.342 -7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.975 30.229 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.085 31.082 -5.342 1.00 0.00 H new ATOM 1052 N GLY A 64 1.651 32.001 -4.690 1.00 0.00 N ATOM 1053 CA GLY A 64 2.260 33.104 -3.888 1.00 0.00 C ATOM 1054 C GLY A 64 1.323 33.485 -2.738 1.00 0.00 C ATOM 1055 O GLY A 64 1.310 34.616 -2.292 1.00 0.00 O ATOM 0 H GLY A 64 2.198 31.141 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.226 32.789 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.442 33.971 -4.523 1.00 0.00 H new ATOM 1059 N ASP A 65 0.535 32.553 -2.256 1.00 0.00 N ATOM 1060 CA ASP A 65 -0.413 32.855 -1.134 1.00 0.00 C ATOM 1061 C ASP A 65 0.088 32.213 0.160 1.00 0.00 C ATOM 1062 O ASP A 65 -0.582 32.242 1.174 1.00 0.00 O ATOM 1063 CB ASP A 65 -1.788 32.287 -1.485 1.00 0.00 C ATOM 1064 CG ASP A 65 -1.669 30.778 -1.677 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -0.550 30.308 -1.799 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -2.695 30.119 -1.707 1.00 0.00 O ATOM 0 H ASP A 65 0.507 31.591 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.479 33.934 -0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.501 32.510 -0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.167 32.753 -2.394 1.00 0.00 H new ATOM 1071 N GLY A 66 1.248 31.618 0.136 1.00 0.00 N ATOM 1072 CA GLY A 66 1.769 30.964 1.369 1.00 0.00 C ATOM 1073 C GLY A 66 1.070 29.613 1.530 1.00 0.00 C ATOM 1074 O GLY A 66 1.279 28.893 2.487 1.00 0.00 O ATOM 0 H GLY A 66 1.856 31.556 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.848 30.827 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.584 31.593 2.240 1.00 0.00 H new ATOM 1078 N GLU A 67 0.234 29.275 0.584 1.00 0.00 N ATOM 1079 CA GLU A 67 -0.509 27.984 0.628 1.00 0.00 C ATOM 1080 C GLU A 67 -0.471 27.343 -0.761 1.00 0.00 C ATOM 1081 O GLU A 67 -0.752 27.981 -1.754 1.00 0.00 O ATOM 1082 CB GLU A 67 -1.967 28.254 1.003 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.023 29.152 2.237 1.00 0.00 C ATOM 1084 CD GLU A 67 -3.473 29.291 2.700 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -4.197 30.062 2.091 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -3.836 28.622 3.653 1.00 0.00 O ATOM 0 H GLU A 67 0.032 29.852 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.052 27.321 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.484 28.731 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.482 27.314 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.414 28.729 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.608 30.133 2.005 1.00 0.00 H new ATOM 1093 N CYS A 68 -0.151 26.081 -0.840 1.00 0.00 N ATOM 1094 CA CYS A 68 -0.120 25.387 -2.164 1.00 0.00 C ATOM 1095 C CYS A 68 -1.445 24.637 -2.326 1.00 0.00 C ATOM 1096 O CYS A 68 -1.884 23.932 -1.444 1.00 0.00 O ATOM 1097 CB CYS A 68 1.081 24.421 -2.216 1.00 0.00 C ATOM 1098 SG CYS A 68 1.511 23.901 -0.537 1.00 0.00 S ATOM 0 H CYS A 68 0.092 25.495 -0.041 1.00 0.00 H new ATOM 0 HA CYS A 68 -0.003 26.100 -2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.836 23.551 -2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.934 24.910 -2.686 1.00 0.00 H new ATOM 0 HG CYS A 68 0.425 23.643 0.129 1.00 0.00 H new ATOM 1104 N ASP A 69 -2.092 24.808 -3.438 1.00 0.00 N ATOM 1105 CA ASP A 69 -3.401 24.135 -3.659 1.00 0.00 C ATOM 1106 C ASP A 69 -3.178 22.636 -3.810 1.00 0.00 C ATOM 1107 O ASP A 69 -2.069 22.183 -4.019 1.00 0.00 O ATOM 1108 CB ASP A 69 -4.050 24.685 -4.930 1.00 0.00 C ATOM 1109 CG ASP A 69 -4.497 26.127 -4.689 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -4.772 26.457 -3.547 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -4.551 26.878 -5.648 1.00 0.00 O ATOM 0 H ASP A 69 -1.770 25.389 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.056 24.323 -2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.343 24.645 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.905 24.070 -5.211 1.00 0.00 H new ATOM 1116 N PHE A 70 -4.220 21.855 -3.710 1.00 0.00 N ATOM 1117 CA PHE A 70 -4.062 20.391 -3.854 1.00 0.00 C ATOM 1118 C PHE A 70 -3.247 20.121 -5.122 1.00 0.00 C ATOM 1119 O PHE A 70 -2.390 19.270 -5.144 1.00 0.00 O ATOM 1120 CB PHE A 70 -5.457 19.751 -3.946 1.00 0.00 C ATOM 1121 CG PHE A 70 -5.372 18.368 -4.551 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -4.411 17.460 -4.095 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -6.259 17.993 -5.567 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -4.337 16.183 -4.653 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.183 16.718 -6.125 1.00 0.00 C ATOM 1126 CZ PHE A 70 -5.222 15.809 -5.669 1.00 0.00 C ATOM 0 H PHE A 70 -5.173 22.174 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.541 19.961 -2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.902 19.692 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.111 20.379 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.726 17.747 -3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.003 18.692 -5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.595 15.482 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.867 16.431 -6.910 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.164 14.821 -6.101 1.00 0.00 H new ATOM 1136 N GLN A 71 -3.500 20.858 -6.166 1.00 0.00 N ATOM 1137 CA GLN A 71 -2.729 20.669 -7.428 1.00 0.00 C ATOM 1138 C GLN A 71 -1.239 20.957 -7.195 1.00 0.00 C ATOM 1139 O GLN A 71 -0.378 20.223 -7.638 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.277 21.633 -8.494 1.00 0.00 C ATOM 1141 CG GLN A 71 -2.287 21.748 -9.660 1.00 0.00 C ATOM 1142 CD GLN A 71 -2.971 22.407 -10.859 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -4.183 22.433 -10.943 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -2.239 22.943 -11.797 1.00 0.00 N ATOM 0 H GLN A 71 -4.212 21.588 -6.201 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.835 19.637 -7.763 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.240 21.275 -8.858 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.448 22.615 -8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.420 22.335 -9.356 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.921 20.759 -9.937 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.222 22.921 -11.725 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.684 23.384 -12.602 1.00 0.00 H new ATOM 1153 N GLU A 72 -0.935 22.040 -6.544 1.00 0.00 N ATOM 1154 CA GLU A 72 0.490 22.404 -6.318 1.00 0.00 C ATOM 1155 C GLU A 72 1.210 21.313 -5.526 1.00 0.00 C ATOM 1156 O GLU A 72 2.344 20.970 -5.808 1.00 0.00 O ATOM 1157 CB GLU A 72 0.527 23.728 -5.553 1.00 0.00 C ATOM 1158 CG GLU A 72 0.251 24.892 -6.507 1.00 0.00 C ATOM 1159 CD GLU A 72 0.252 26.205 -5.719 1.00 0.00 C ATOM 1160 OE1 GLU A 72 1.311 26.797 -5.592 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -0.807 26.597 -5.255 1.00 0.00 O ATOM 0 H GLU A 72 -1.615 22.694 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 72 1.001 22.507 -7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.216 23.717 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.501 23.857 -5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.010 24.924 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.711 24.752 -7.001 1.00 0.00 H new ATOM 1168 N PHE A 73 0.564 20.753 -4.551 1.00 0.00 N ATOM 1169 CA PHE A 73 1.213 19.677 -3.757 1.00 0.00 C ATOM 1170 C PHE A 73 1.396 18.441 -4.644 1.00 0.00 C ATOM 1171 O PHE A 73 2.365 17.715 -4.536 1.00 0.00 O ATOM 1172 CB PHE A 73 0.331 19.331 -2.548 1.00 0.00 C ATOM 1173 CG PHE A 73 0.755 17.994 -1.979 1.00 0.00 C ATOM 1174 CD1 PHE A 73 2.073 17.812 -1.549 1.00 0.00 C ATOM 1175 CD2 PHE A 73 -0.158 16.934 -1.911 1.00 0.00 C ATOM 1176 CE1 PHE A 73 2.478 16.573 -1.047 1.00 0.00 C ATOM 1177 CE2 PHE A 73 0.248 15.692 -1.412 1.00 0.00 C ATOM 1178 CZ PHE A 73 1.566 15.512 -0.980 1.00 0.00 C ATOM 0 H PHE A 73 -0.386 20.992 -4.267 1.00 0.00 H new ATOM 0 HA PHE A 73 2.187 20.013 -3.401 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.419 20.106 -1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.717 19.295 -2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.777 18.629 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.176 17.076 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.495 16.433 -0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.455 14.874 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.881 14.554 -0.594 1.00 0.00 H new ATOM 1188 N MET A 74 0.454 18.196 -5.500 1.00 0.00 N ATOM 1189 CA MET A 74 0.521 17.006 -6.388 1.00 0.00 C ATOM 1190 C MET A 74 1.770 17.059 -7.270 1.00 0.00 C ATOM 1191 O MET A 74 2.407 16.050 -7.531 1.00 0.00 O ATOM 1192 CB MET A 74 -0.738 16.953 -7.260 1.00 0.00 C ATOM 1193 CG MET A 74 -1.923 16.446 -6.427 1.00 0.00 C ATOM 1194 SD MET A 74 -1.681 14.697 -6.015 1.00 0.00 S ATOM 1195 CE MET A 74 -1.766 14.040 -7.698 1.00 0.00 C ATOM 0 H MET A 74 -0.374 18.778 -5.626 1.00 0.00 H new ATOM 0 HA MET A 74 0.577 16.108 -5.773 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.958 17.943 -7.658 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.573 16.296 -8.114 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.016 17.035 -5.514 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.851 16.573 -6.984 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.098 13.002 -7.667 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.471 14.630 -8.284 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.780 14.091 -8.159 1.00 0.00 H new ATOM 1205 N ALA A 75 2.117 18.208 -7.760 1.00 0.00 N ATOM 1206 CA ALA A 75 3.308 18.280 -8.645 1.00 0.00 C ATOM 1207 C ALA A 75 4.591 17.994 -7.860 1.00 0.00 C ATOM 1208 O ALA A 75 5.537 17.445 -8.389 1.00 0.00 O ATOM 1209 CB ALA A 75 3.387 19.663 -9.298 1.00 0.00 C ATOM 0 H ALA A 75 1.637 19.092 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 75 3.208 17.521 -9.421 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.262 19.710 -9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.488 19.838 -9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.467 20.427 -8.524 1.00 0.00 H new ATOM 1215 N PHE A 76 4.642 18.357 -6.615 1.00 0.00 N ATOM 1216 CA PHE A 76 5.880 18.095 -5.821 1.00 0.00 C ATOM 1217 C PHE A 76 6.138 16.598 -5.752 1.00 0.00 C ATOM 1218 O PHE A 76 7.257 16.148 -5.784 1.00 0.00 O ATOM 1219 CB PHE A 76 5.706 18.640 -4.406 1.00 0.00 C ATOM 1220 CG PHE A 76 7.054 18.718 -3.726 1.00 0.00 C ATOM 1221 CD1 PHE A 76 7.977 19.691 -4.123 1.00 0.00 C ATOM 1222 CD2 PHE A 76 7.384 17.816 -2.705 1.00 0.00 C ATOM 1223 CE1 PHE A 76 9.229 19.765 -3.501 1.00 0.00 C ATOM 1224 CE2 PHE A 76 8.636 17.890 -2.083 1.00 0.00 C ATOM 1225 CZ PHE A 76 9.559 18.864 -2.481 1.00 0.00 C ATOM 0 H PHE A 76 3.888 18.822 -6.109 1.00 0.00 H new ATOM 0 HA PHE A 76 6.724 18.589 -6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.246 19.628 -4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.036 17.996 -3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.724 20.386 -4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.672 17.064 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.941 20.517 -3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.890 17.195 -1.296 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.525 18.921 -2.002 1.00 0.00 H new ATOM 1235 N VAL A 77 5.102 15.840 -5.626 1.00 0.00 N ATOM 1236 CA VAL A 77 5.240 14.360 -5.523 1.00 0.00 C ATOM 1237 C VAL A 77 5.902 13.808 -6.779 1.00 0.00 C ATOM 1238 O VAL A 77 6.680 12.885 -6.723 1.00 0.00 O ATOM 1239 CB VAL A 77 3.848 13.727 -5.354 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.957 12.426 -4.553 1.00 0.00 C ATOM 1241 CG2 VAL A 77 2.941 14.715 -4.624 1.00 0.00 C ATOM 0 H VAL A 77 4.142 16.182 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 77 5.860 14.118 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 77 3.428 13.497 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.967 11.985 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.606 11.727 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.376 12.638 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.951 14.276 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.364 14.942 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.860 15.633 -5.206 1.00 0.00 H new ATOM 1251 N SER A 78 5.581 14.348 -7.914 1.00 0.00 N ATOM 1252 CA SER A 78 6.188 13.827 -9.169 1.00 0.00 C ATOM 1253 C SER A 78 7.702 14.019 -9.117 1.00 0.00 C ATOM 1254 O SER A 78 8.464 13.178 -9.551 1.00 0.00 O ATOM 1255 CB SER A 78 5.621 14.590 -10.367 1.00 0.00 C ATOM 1256 OG SER A 78 5.881 15.978 -10.205 1.00 0.00 O ATOM 0 H SER A 78 4.929 15.123 -8.031 1.00 0.00 H new ATOM 0 HA SER A 78 5.956 12.767 -9.271 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.074 14.229 -11.290 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.548 14.416 -10.449 1.00 0.00 H new ATOM 0 HG SER A 78 5.439 16.301 -9.392 1.00 0.00 H new ATOM 1262 N MET A 79 8.137 15.134 -8.607 1.00 0.00 N ATOM 1263 CA MET A 79 9.598 15.412 -8.542 1.00 0.00 C ATOM 1264 C MET A 79 10.301 14.515 -7.516 1.00 0.00 C ATOM 1265 O MET A 79 11.352 13.958 -7.774 1.00 0.00 O ATOM 1266 CB MET A 79 9.795 16.865 -8.118 1.00 0.00 C ATOM 1267 CG MET A 79 9.342 17.816 -9.224 1.00 0.00 C ATOM 1268 SD MET A 79 9.105 19.486 -8.542 1.00 0.00 S ATOM 1269 CE MET A 79 10.562 19.565 -7.460 1.00 0.00 C ATOM 0 H MET A 79 7.540 15.870 -8.230 1.00 0.00 H new ATOM 0 HA MET A 79 10.027 15.216 -9.525 1.00 0.00 H new ATOM 0 HB2 MET A 79 9.230 17.063 -7.207 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.845 17.042 -7.887 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.085 17.841 -10.022 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.412 17.458 -9.666 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.791 20.606 -7.233 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.357 19.028 -6.534 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.414 19.108 -7.963 1.00 0.00 H new ATOM 1279 N VAL A 80 9.745 14.397 -6.350 1.00 0.00 N ATOM 1280 CA VAL A 80 10.394 13.569 -5.293 1.00 0.00 C ATOM 1281 C VAL A 80 10.480 12.115 -5.745 1.00 0.00 C ATOM 1282 O VAL A 80 11.444 11.424 -5.482 1.00 0.00 O ATOM 1283 CB VAL A 80 9.596 13.659 -3.995 1.00 0.00 C ATOM 1284 CG1 VAL A 80 10.261 12.776 -2.940 1.00 0.00 C ATOM 1285 CG2 VAL A 80 9.576 15.111 -3.505 1.00 0.00 C ATOM 0 H VAL A 80 8.866 14.838 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 80 11.401 13.948 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 80 8.574 13.323 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.697 12.834 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.280 11.744 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.281 13.119 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.006 15.174 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.597 15.449 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.111 15.744 -4.261 1.00 0.00 H new ATOM 1295 N THR A 81 9.475 11.647 -6.414 1.00 0.00 N ATOM 1296 CA THR A 81 9.479 10.236 -6.880 1.00 0.00 C ATOM 1297 C THR A 81 10.672 10.039 -7.797 1.00 0.00 C ATOM 1298 O THR A 81 11.341 9.026 -7.767 1.00 0.00 O ATOM 1299 CB THR A 81 8.194 9.932 -7.645 1.00 0.00 C ATOM 1300 OG1 THR A 81 7.078 10.170 -6.804 1.00 0.00 O ATOM 1301 CG2 THR A 81 8.196 8.464 -8.084 1.00 0.00 C ATOM 0 H THR A 81 8.643 12.182 -6.662 1.00 0.00 H new ATOM 0 HA THR A 81 9.542 9.565 -6.023 1.00 0.00 H new ATOM 0 HB THR A 81 8.133 10.574 -8.523 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.809 11.110 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.278 8.246 -8.630 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.055 8.278 -8.729 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.256 7.822 -7.205 1.00 0.00 H new ATOM 1309 N THR A 82 10.939 11.007 -8.618 1.00 0.00 N ATOM 1310 CA THR A 82 12.084 10.896 -9.549 1.00 0.00 C ATOM 1311 C THR A 82 13.332 10.536 -8.736 1.00 0.00 C ATOM 1312 O THR A 82 14.142 9.723 -9.140 1.00 0.00 O ATOM 1313 CB THR A 82 12.278 12.247 -10.251 1.00 0.00 C ATOM 1314 OG1 THR A 82 11.006 12.819 -10.525 1.00 0.00 O ATOM 1315 CG2 THR A 82 13.021 12.039 -11.563 1.00 0.00 C ATOM 0 H THR A 82 10.409 11.876 -8.684 1.00 0.00 H new ATOM 0 HA THR A 82 11.905 10.126 -10.300 1.00 0.00 H new ATOM 0 HB THR A 82 12.854 12.911 -9.606 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.125 13.683 -10.972 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.158 12.999 -12.060 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.995 11.592 -11.363 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.443 11.376 -12.207 1.00 0.00 H new ATOM 1323 N ALA A 83 13.471 11.114 -7.576 1.00 0.00 N ATOM 1324 CA ALA A 83 14.640 10.782 -6.716 1.00 0.00 C ATOM 1325 C ALA A 83 14.600 9.285 -6.401 1.00 0.00 C ATOM 1326 O ALA A 83 15.611 8.613 -6.379 1.00 0.00 O ATOM 1327 CB ALA A 83 14.565 11.582 -5.415 1.00 0.00 C ATOM 0 H ALA A 83 12.826 11.802 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 83 15.567 11.032 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.422 11.337 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.575 12.648 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.645 11.332 -4.887 1.00 0.00 H new ATOM 1333 N CYS A 84 13.427 8.763 -6.155 1.00 0.00 N ATOM 1334 CA CYS A 84 13.296 7.313 -5.836 1.00 0.00 C ATOM 1335 C CYS A 84 13.828 6.479 -7.003 1.00 0.00 C ATOM 1336 O CYS A 84 14.376 5.415 -6.809 1.00 0.00 O ATOM 1337 CB CYS A 84 11.824 6.968 -5.599 1.00 0.00 C ATOM 1338 SG CYS A 84 11.122 8.122 -4.395 1.00 0.00 S ATOM 0 H CYS A 84 12.550 9.283 -6.162 1.00 0.00 H new ATOM 0 HA CYS A 84 13.871 7.092 -4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.271 7.022 -6.537 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.733 5.945 -5.234 1.00 0.00 H new ATOM 0 HG CYS A 84 11.260 9.340 -4.829 1.00 0.00 H new ATOM 1344 N HIS A 85 13.678 6.946 -8.212 1.00 0.00 N ATOM 1345 CA HIS A 85 14.189 6.161 -9.370 1.00 0.00 C ATOM 1346 C HIS A 85 15.697 5.974 -9.212 1.00 0.00 C ATOM 1347 O HIS A 85 16.230 4.914 -9.466 1.00 0.00 O ATOM 1348 CB HIS A 85 13.892 6.925 -10.659 1.00 0.00 C ATOM 1349 CG HIS A 85 14.430 6.168 -11.842 1.00 0.00 C ATOM 1350 ND1 HIS A 85 15.694 6.412 -12.363 1.00 0.00 N ATOM 1351 CD2 HIS A 85 13.888 5.178 -12.623 1.00 0.00 C ATOM 1352 CE1 HIS A 85 15.868 5.583 -13.410 1.00 0.00 C ATOM 1353 NE2 HIS A 85 14.797 4.814 -13.609 1.00 0.00 N ATOM 0 H HIS A 85 13.227 7.830 -8.447 1.00 0.00 H new ATOM 0 HA HIS A 85 13.704 5.186 -9.410 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.817 7.068 -10.767 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.343 7.916 -10.616 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.906 4.748 -12.491 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.763 5.546 -14.013 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.671 4.107 -14.333 1.00 0.00 H new ATOM 1362 N GLU A 86 16.383 6.989 -8.768 1.00 0.00 N ATOM 1363 CA GLU A 86 17.854 6.865 -8.562 1.00 0.00 C ATOM 1364 C GLU A 86 18.141 5.767 -7.532 1.00 0.00 C ATOM 1365 O GLU A 86 19.104 5.035 -7.639 1.00 0.00 O ATOM 1366 CB GLU A 86 18.422 8.195 -8.065 1.00 0.00 C ATOM 1367 CG GLU A 86 18.380 9.223 -9.197 1.00 0.00 C ATOM 1368 CD GLU A 86 18.947 10.555 -8.701 1.00 0.00 C ATOM 1369 OE1 GLU A 86 19.155 10.680 -7.505 1.00 0.00 O ATOM 1370 OE2 GLU A 86 19.160 11.429 -9.525 1.00 0.00 O ATOM 0 H GLU A 86 15.989 7.901 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 86 18.326 6.604 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.845 8.553 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.447 8.059 -7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.958 8.865 -10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.355 9.358 -9.541 1.00 0.00 H new ATOM 1377 N PHE A 87 17.323 5.666 -6.518 1.00 0.00 N ATOM 1378 CA PHE A 87 17.546 4.632 -5.457 1.00 0.00 C ATOM 1379 C PHE A 87 16.750 3.358 -5.763 1.00 0.00 C ATOM 1380 O PHE A 87 17.052 2.297 -5.256 1.00 0.00 O ATOM 1381 CB PHE A 87 17.111 5.195 -4.101 1.00 0.00 C ATOM 1382 CG PHE A 87 17.319 4.153 -3.026 1.00 0.00 C ATOM 1383 CD1 PHE A 87 18.545 4.075 -2.353 1.00 0.00 C ATOM 1384 CD2 PHE A 87 16.282 3.272 -2.694 1.00 0.00 C ATOM 1385 CE1 PHE A 87 18.735 3.115 -1.351 1.00 0.00 C ATOM 1386 CE2 PHE A 87 16.472 2.311 -1.692 1.00 0.00 C ATOM 1387 CZ PHE A 87 17.698 2.233 -1.021 1.00 0.00 C ATOM 0 H PHE A 87 16.504 6.257 -6.376 1.00 0.00 H new ATOM 0 HA PHE A 87 18.606 4.379 -5.432 1.00 0.00 H new ATOM 0 HB2 PHE A 87 17.685 6.092 -3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.062 5.489 -4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 87 19.344 4.756 -2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.336 3.333 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 87 19.681 3.055 -0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.673 1.631 -1.438 1.00 0.00 H new ATOM 0 HZ PHE A 87 17.844 1.493 -0.249 1.00 0.00 H new ATOM 1397 N PHE A 88 15.721 3.450 -6.562 1.00 0.00 N ATOM 1398 CA PHE A 88 14.903 2.238 -6.859 1.00 0.00 C ATOM 1399 C PHE A 88 15.590 1.378 -7.925 1.00 0.00 C ATOM 1400 O PHE A 88 15.190 0.259 -8.173 1.00 0.00 O ATOM 1401 CB PHE A 88 13.521 2.665 -7.369 1.00 0.00 C ATOM 1402 CG PHE A 88 12.607 1.461 -7.404 1.00 0.00 C ATOM 1403 CD1 PHE A 88 12.616 0.606 -8.514 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.763 1.190 -6.319 1.00 0.00 C ATOM 1405 CE1 PHE A 88 11.779 -0.517 -8.539 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.930 0.065 -6.344 1.00 0.00 C ATOM 1407 CZ PHE A 88 10.938 -0.788 -7.454 1.00 0.00 C ATOM 0 H PHE A 88 15.412 4.307 -7.020 1.00 0.00 H new ATOM 0 HA PHE A 88 14.798 1.654 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.103 3.434 -6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.607 3.100 -8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.268 0.813 -9.350 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.755 1.849 -5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.783 -1.174 -9.396 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.281 -0.145 -5.507 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.295 -1.655 -7.473 1.00 0.00 H new ATOM 1464 N MET B 0 -3.023 6.430 4.162 1.00 0.00 N ATOM 1465 CA MET B 0 -2.346 6.070 5.440 1.00 0.00 C ATOM 1466 C MET B 0 -0.838 5.966 5.202 1.00 0.00 C ATOM 1467 O MET B 0 -0.247 4.918 5.361 1.00 0.00 O ATOM 1468 CB MET B 0 -2.875 4.721 5.935 1.00 0.00 C ATOM 1469 CG MET B 0 -4.329 4.872 6.386 1.00 0.00 C ATOM 1470 SD MET B 0 -4.945 3.273 6.970 1.00 0.00 S ATOM 1471 CE MET B 0 -6.660 3.774 7.256 1.00 0.00 C ATOM 0 H1 MET B 0 -3.925 6.905 4.369 1.00 0.00 H new ATOM 0 H2 MET B 0 -2.413 7.069 3.614 1.00 0.00 H new ATOM 0 H3 MET B 0 -3.204 5.567 3.610 1.00 0.00 H new ATOM 0 HA MET B 0 -2.547 6.837 6.188 1.00 0.00 H new ATOM 0 HB2 MET B 0 -2.806 3.978 5.140 1.00 0.00 H new ATOM 0 HB3 MET B 0 -2.263 4.361 6.762 1.00 0.00 H new ATOM 0 HG2 MET B 0 -4.400 5.614 7.181 1.00 0.00 H new ATOM 0 HG3 MET B 0 -4.942 5.231 5.560 1.00 0.00 H new ATOM 0 HE1 MET B 0 -7.231 2.923 7.627 1.00 0.00 H new ATOM 0 HE2 MET B 0 -6.686 4.577 7.993 1.00 0.00 H new ATOM 0 HE3 MET B 0 -7.097 4.125 6.321 1.00 0.00 H new ATOM 1483 N SER B 1 -0.213 7.046 4.815 1.00 0.00 N ATOM 1484 CA SER B 1 1.259 7.006 4.557 1.00 0.00 C ATOM 1485 C SER B 1 1.554 6.026 3.421 1.00 0.00 C ATOM 1486 O SER B 1 2.634 5.480 3.317 1.00 0.00 O ATOM 1487 CB SER B 1 1.995 6.555 5.824 1.00 0.00 C ATOM 1488 OG SER B 1 2.050 5.134 5.856 1.00 0.00 O ATOM 0 H SER B 1 -0.655 7.953 4.666 1.00 0.00 H new ATOM 0 HA SER B 1 1.601 8.002 4.276 1.00 0.00 H new ATOM 0 HB2 SER B 1 3.003 6.970 5.840 1.00 0.00 H new ATOM 0 HB3 SER B 1 1.482 6.930 6.709 1.00 0.00 H new ATOM 0 HG SER B 1 1.145 4.769 5.765 1.00 0.00 H new ATOM 1494 N GLU B 2 0.599 5.811 2.565 1.00 0.00 N ATOM 1495 CA GLU B 2 0.800 4.881 1.418 1.00 0.00 C ATOM 1496 C GLU B 2 1.646 5.565 0.350 1.00 0.00 C ATOM 1497 O GLU B 2 2.061 4.956 -0.611 1.00 0.00 O ATOM 1498 CB GLU B 2 -0.557 4.506 0.832 1.00 0.00 C ATOM 1499 CG GLU B 2 -1.315 3.674 1.857 1.00 0.00 C ATOM 1500 CD GLU B 2 -2.683 3.281 1.296 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -3.035 3.782 0.240 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -3.359 2.491 1.935 1.00 0.00 O ATOM 0 H GLU B 2 -0.324 6.244 2.610 1.00 0.00 H new ATOM 0 HA GLU B 2 1.311 3.981 1.761 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.122 5.404 0.581 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -0.427 3.942 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -0.744 2.780 2.107 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -1.439 4.241 2.779 1.00 0.00 H new ATOM 1509 N LEU B 3 1.881 6.837 0.503 1.00 0.00 N ATOM 1510 CA LEU B 3 2.671 7.593 -0.512 1.00 0.00 C ATOM 1511 C LEU B 3 3.875 6.775 -0.966 1.00 0.00 C ATOM 1512 O LEU B 3 4.391 6.970 -2.040 1.00 0.00 O ATOM 1513 CB LEU B 3 3.167 8.903 0.111 1.00 0.00 C ATOM 1514 CG LEU B 3 3.708 9.840 -0.978 1.00 0.00 C ATOM 1515 CD1 LEU B 3 2.567 10.300 -1.913 1.00 0.00 C ATOM 1516 CD2 LEU B 3 4.360 11.058 -0.305 1.00 0.00 C ATOM 0 H LEU B 3 1.557 7.392 1.295 1.00 0.00 H new ATOM 0 HA LEU B 3 2.034 7.799 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU B 3 2.352 9.390 0.647 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.949 8.693 0.841 1.00 0.00 H new ATOM 0 HG LEU B 3 4.446 9.309 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU B 3 2.969 10.963 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.113 9.430 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU B 3 1.813 10.831 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.748 11.731 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.618 11.582 0.297 1.00 0.00 H new ATOM 0 HD23 LEU B 3 5.177 10.726 0.335 1.00 0.00 H new ATOM 1528 N GLU B 4 4.328 5.866 -0.164 1.00 0.00 N ATOM 1529 CA GLU B 4 5.504 5.045 -0.574 1.00 0.00 C ATOM 1530 C GLU B 4 5.123 4.106 -1.721 1.00 0.00 C ATOM 1531 O GLU B 4 5.894 3.893 -2.635 1.00 0.00 O ATOM 1532 CB GLU B 4 6.002 4.231 0.625 1.00 0.00 C ATOM 1533 CG GLU B 4 7.246 3.419 0.230 1.00 0.00 C ATOM 1534 CD GLU B 4 6.835 2.154 -0.534 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.696 1.740 -0.397 1.00 0.00 O ATOM 1536 OE2 GLU B 4 7.672 1.618 -1.243 1.00 0.00 O ATOM 0 H GLU B 4 3.942 5.651 0.755 1.00 0.00 H new ATOM 0 HA GLU B 4 6.298 5.708 -0.917 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.241 4.898 1.453 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.215 3.561 0.972 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.905 4.028 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.809 3.146 1.122 1.00 0.00 H new ATOM 1543 N LYS B 5 3.957 3.527 -1.680 1.00 0.00 N ATOM 1544 CA LYS B 5 3.570 2.589 -2.774 1.00 0.00 C ATOM 1545 C LYS B 5 3.263 3.383 -4.041 1.00 0.00 C ATOM 1546 O LYS B 5 3.477 2.919 -5.140 1.00 0.00 O ATOM 1547 CB LYS B 5 2.348 1.742 -2.352 1.00 0.00 C ATOM 1548 CG LYS B 5 1.033 2.510 -2.564 1.00 0.00 C ATOM 1549 CD LYS B 5 -0.125 1.721 -1.953 1.00 0.00 C ATOM 1550 CE LYS B 5 -1.448 2.349 -2.394 1.00 0.00 C ATOM 1551 NZ LYS B 5 -1.656 2.090 -3.848 1.00 0.00 N ATOM 0 H LYS B 5 3.261 3.659 -0.946 1.00 0.00 H new ATOM 0 HA LYS B 5 4.399 1.909 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.328 0.817 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS B 5 2.442 1.462 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.098 3.496 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.859 2.666 -3.629 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -0.079 0.679 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -0.051 1.726 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -2.273 1.931 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.436 3.422 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -2.672 2.135 -4.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -1.150 2.808 -4.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -1.291 1.146 -4.088 1.00 0.00 H new ATOM 1565 N ALA B 6 2.730 4.563 -3.894 1.00 0.00 N ATOM 1566 CA ALA B 6 2.379 5.372 -5.092 1.00 0.00 C ATOM 1567 C ALA B 6 3.635 5.846 -5.816 1.00 0.00 C ATOM 1568 O ALA B 6 3.699 5.834 -7.026 1.00 0.00 O ATOM 1569 CB ALA B 6 1.551 6.587 -4.658 1.00 0.00 C ATOM 0 H ALA B 6 2.523 5.001 -2.997 1.00 0.00 H new ATOM 0 HA ALA B 6 1.801 4.749 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA B 6 1.292 7.182 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.639 6.249 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.133 7.195 -3.965 1.00 0.00 H new ATOM 1575 N MET B 7 4.630 6.269 -5.098 1.00 0.00 N ATOM 1576 CA MET B 7 5.868 6.752 -5.767 1.00 0.00 C ATOM 1577 C MET B 7 6.529 5.603 -6.524 1.00 0.00 C ATOM 1578 O MET B 7 7.032 5.762 -7.624 1.00 0.00 O ATOM 1579 CB MET B 7 6.837 7.292 -4.713 1.00 0.00 C ATOM 1580 CG MET B 7 6.292 8.596 -4.129 1.00 0.00 C ATOM 1581 SD MET B 7 7.525 9.316 -3.019 1.00 0.00 S ATOM 1582 CE MET B 7 6.875 11.003 -3.027 1.00 0.00 C ATOM 0 H MET B 7 4.643 6.302 -4.079 1.00 0.00 H new ATOM 0 HA MET B 7 5.612 7.545 -6.470 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.973 6.557 -3.920 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.816 7.464 -5.160 1.00 0.00 H new ATOM 0 HG2 MET B 7 6.055 9.296 -4.931 1.00 0.00 H new ATOM 0 HG3 MET B 7 5.365 8.406 -3.587 1.00 0.00 H new ATOM 0 HE1 MET B 7 7.289 11.557 -2.184 1.00 0.00 H new ATOM 0 HE2 MET B 7 7.155 11.496 -3.958 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.789 10.975 -2.943 1.00 0.00 H new ATOM 1592 N VAL B 8 6.529 4.447 -5.938 1.00 0.00 N ATOM 1593 CA VAL B 8 7.156 3.271 -6.598 1.00 0.00 C ATOM 1594 C VAL B 8 6.358 2.898 -7.849 1.00 0.00 C ATOM 1595 O VAL B 8 6.906 2.472 -8.843 1.00 0.00 O ATOM 1596 CB VAL B 8 7.177 2.090 -5.623 1.00 0.00 C ATOM 1597 CG1 VAL B 8 7.612 0.817 -6.356 1.00 0.00 C ATOM 1598 CG2 VAL B 8 8.163 2.387 -4.489 1.00 0.00 C ATOM 0 H VAL B 8 6.119 4.261 -5.023 1.00 0.00 H new ATOM 0 HA VAL B 8 8.178 3.517 -6.887 1.00 0.00 H new ATOM 0 HB VAL B 8 6.178 1.943 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL B 8 7.625 -0.019 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.911 0.604 -7.163 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.610 0.959 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL B 8 8.180 1.548 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL B 8 9.160 2.535 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.851 3.289 -3.962 1.00 0.00 H new ATOM 1608 N ALA B 9 5.064 3.028 -7.788 1.00 0.00 N ATOM 1609 CA ALA B 9 4.207 2.654 -8.952 1.00 0.00 C ATOM 1610 C ALA B 9 4.458 3.573 -10.144 1.00 0.00 C ATOM 1611 O ALA B 9 4.447 3.136 -11.276 1.00 0.00 O ATOM 1612 CB ALA B 9 2.741 2.748 -8.561 1.00 0.00 C ATOM 0 H ALA B 9 4.556 3.380 -6.976 1.00 0.00 H new ATOM 0 HA ALA B 9 4.459 1.633 -9.237 1.00 0.00 H new ATOM 0 HB1 ALA B 9 2.119 2.474 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA B 9 2.541 2.068 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA B 9 2.510 3.769 -8.256 1.00 0.00 H new ATOM 1618 N LEU B 10 4.662 4.839 -9.921 1.00 0.00 N ATOM 1619 CA LEU B 10 4.889 5.744 -11.083 1.00 0.00 C ATOM 1620 C LEU B 10 6.120 5.262 -11.835 1.00 0.00 C ATOM 1621 O LEU B 10 6.165 5.258 -13.049 1.00 0.00 O ATOM 1622 CB LEU B 10 5.139 7.177 -10.610 1.00 0.00 C ATOM 1623 CG LEU B 10 3.935 7.714 -9.832 1.00 0.00 C ATOM 1624 CD1 LEU B 10 4.228 9.155 -9.399 1.00 0.00 C ATOM 1625 CD2 LEU B 10 2.675 7.681 -10.715 1.00 0.00 C ATOM 0 H LEU B 10 4.682 5.282 -9.003 1.00 0.00 H new ATOM 0 HA LEU B 10 4.006 5.730 -11.723 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.027 7.206 -9.979 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.337 7.818 -11.469 1.00 0.00 H new ATOM 0 HG LEU B 10 3.761 7.091 -8.955 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.377 9.548 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.114 9.171 -8.764 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.402 9.772 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.825 8.065 -10.151 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.834 8.299 -11.598 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.473 6.655 -11.022 1.00 0.00 H new ATOM 1637 N ILE B 11 7.119 4.854 -11.115 1.00 0.00 N ATOM 1638 CA ILE B 11 8.357 4.365 -11.771 1.00 0.00 C ATOM 1639 C ILE B 11 8.089 3.041 -12.514 1.00 0.00 C ATOM 1640 O ILE B 11 8.605 2.818 -13.591 1.00 0.00 O ATOM 1641 CB ILE B 11 9.454 4.198 -10.710 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.886 5.596 -10.230 1.00 0.00 C ATOM 1643 CG2 ILE B 11 10.657 3.459 -11.310 1.00 0.00 C ATOM 1644 CD1 ILE B 11 10.704 5.489 -8.939 1.00 0.00 C ATOM 0 H ILE B 11 7.133 4.838 -10.095 1.00 0.00 H new ATOM 0 HA ILE B 11 8.691 5.091 -12.512 1.00 0.00 H new ATOM 0 HB ILE B 11 9.073 3.616 -9.871 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.478 6.086 -11.003 1.00 0.00 H new ATOM 0 HG13 ILE B 11 9.006 6.217 -10.060 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.430 3.345 -10.550 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.343 2.475 -11.658 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.054 4.031 -12.149 1.00 0.00 H new ATOM 0 HD11 ILE B 11 11.002 6.486 -8.613 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.100 5.019 -8.163 1.00 0.00 H new ATOM 0 HD13 ILE B 11 11.594 4.886 -9.121 1.00 0.00 H new ATOM 1656 N ASP B 12 7.309 2.151 -11.949 1.00 0.00 N ATOM 1657 CA ASP B 12 7.048 0.844 -12.635 1.00 0.00 C ATOM 1658 C ASP B 12 6.376 1.058 -14.002 1.00 0.00 C ATOM 1659 O ASP B 12 6.685 0.386 -14.966 1.00 0.00 O ATOM 1660 CB ASP B 12 6.129 -0.006 -11.754 1.00 0.00 C ATOM 1661 CG ASP B 12 6.895 -0.466 -10.513 1.00 0.00 C ATOM 1662 OD1 ASP B 12 8.108 -0.569 -10.595 1.00 0.00 O ATOM 1663 OD2 ASP B 12 6.256 -0.708 -9.503 1.00 0.00 O ATOM 0 H ASP B 12 6.844 2.271 -11.049 1.00 0.00 H new ATOM 0 HA ASP B 12 8.001 0.341 -12.795 1.00 0.00 H new ATOM 0 HB2 ASP B 12 5.253 0.572 -11.460 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.769 -0.870 -12.313 1.00 0.00 H new ATOM 1668 N VAL B 13 5.457 1.978 -14.088 1.00 0.00 N ATOM 1669 CA VAL B 13 4.751 2.236 -15.384 1.00 0.00 C ATOM 1670 C VAL B 13 5.727 2.883 -16.378 1.00 0.00 C ATOM 1671 O VAL B 13 5.644 2.677 -17.578 1.00 0.00 O ATOM 1672 CB VAL B 13 3.525 3.150 -15.094 1.00 0.00 C ATOM 1673 CG1 VAL B 13 3.330 4.213 -16.186 1.00 0.00 C ATOM 1674 CG2 VAL B 13 2.241 2.301 -14.999 1.00 0.00 C ATOM 0 H VAL B 13 5.159 2.570 -13.312 1.00 0.00 H new ATOM 0 HA VAL B 13 4.397 1.308 -15.833 1.00 0.00 H new ATOM 0 HB VAL B 13 3.720 3.655 -14.148 1.00 0.00 H new ATOM 0 HG11 VAL B 13 2.464 4.829 -15.944 1.00 0.00 H new ATOM 0 HG12 VAL B 13 4.218 4.843 -16.244 1.00 0.00 H new ATOM 0 HG13 VAL B 13 3.170 3.723 -17.146 1.00 0.00 H new ATOM 0 HG21 VAL B 13 1.390 2.951 -14.796 1.00 0.00 H new ATOM 0 HG22 VAL B 13 2.081 1.777 -15.941 1.00 0.00 H new ATOM 0 HG23 VAL B 13 2.344 1.575 -14.193 1.00 0.00 H new ATOM 1684 N PHE B 14 6.644 3.663 -15.893 1.00 0.00 N ATOM 1685 CA PHE B 14 7.607 4.322 -16.811 1.00 0.00 C ATOM 1686 C PHE B 14 8.339 3.256 -17.623 1.00 0.00 C ATOM 1687 O PHE B 14 8.479 3.367 -18.817 1.00 0.00 O ATOM 1688 CB PHE B 14 8.618 5.112 -15.980 1.00 0.00 C ATOM 1689 CG PHE B 14 9.701 5.667 -16.876 1.00 0.00 C ATOM 1690 CD1 PHE B 14 9.449 6.803 -17.648 1.00 0.00 C ATOM 1691 CD2 PHE B 14 10.960 5.054 -16.920 1.00 0.00 C ATOM 1692 CE1 PHE B 14 10.455 7.330 -18.467 1.00 0.00 C ATOM 1693 CE2 PHE B 14 11.966 5.580 -17.741 1.00 0.00 C ATOM 1694 CZ PHE B 14 11.712 6.719 -18.514 1.00 0.00 C ATOM 0 H PHE B 14 6.770 3.873 -14.903 1.00 0.00 H new ATOM 0 HA PHE B 14 7.078 4.993 -17.488 1.00 0.00 H new ATOM 0 HB2 PHE B 14 8.115 5.925 -15.457 1.00 0.00 H new ATOM 0 HB3 PHE B 14 9.059 4.468 -15.219 1.00 0.00 H new ATOM 0 HD1 PHE B 14 8.478 7.275 -17.613 1.00 0.00 H new ATOM 0 HD2 PHE B 14 11.155 4.176 -16.321 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.260 8.209 -19.063 1.00 0.00 H new ATOM 0 HE2 PHE B 14 12.936 5.107 -17.777 1.00 0.00 H new ATOM 0 HZ PHE B 14 12.487 7.126 -19.147 1.00 0.00 H new ATOM 1704 N HIS B 15 8.802 2.226 -16.983 1.00 0.00 N ATOM 1705 CA HIS B 15 9.528 1.148 -17.714 1.00 0.00 C ATOM 1706 C HIS B 15 8.546 0.249 -18.470 1.00 0.00 C ATOM 1707 O HIS B 15 8.919 -0.441 -19.399 1.00 0.00 O ATOM 1708 CB HIS B 15 10.304 0.296 -16.715 1.00 0.00 C ATOM 1709 CG HIS B 15 11.098 -0.745 -17.454 1.00 0.00 C ATOM 1710 ND1 HIS B 15 10.622 -2.034 -17.659 1.00 0.00 N ATOM 1711 CD2 HIS B 15 12.337 -0.705 -18.044 1.00 0.00 C ATOM 1712 CE1 HIS B 15 11.561 -2.709 -18.347 1.00 0.00 C ATOM 1713 NE2 HIS B 15 12.624 -1.944 -18.606 1.00 0.00 N ATOM 0 H HIS B 15 8.710 2.079 -15.978 1.00 0.00 H new ATOM 0 HA HIS B 15 10.208 1.612 -18.429 1.00 0.00 H new ATOM 0 HB2 HIS B 15 10.970 0.925 -16.124 1.00 0.00 H new ATOM 0 HB3 HIS B 15 9.616 -0.183 -16.018 1.00 0.00 H new ATOM 0 HD2 HIS B 15 12.988 0.156 -18.068 1.00 0.00 H new ATOM 0 HE1 HIS B 15 11.466 -3.741 -18.652 1.00 0.00 H new ATOM 0 HE2 HIS B 15 13.469 -2.212 -19.110 1.00 0.00 H new ATOM 1722 N GLN B 16 7.307 0.216 -18.062 1.00 0.00 N ATOM 1723 CA GLN B 16 6.329 -0.679 -18.733 1.00 0.00 C ATOM 1724 C GLN B 16 6.282 -0.407 -20.238 1.00 0.00 C ATOM 1725 O GLN B 16 6.221 -1.333 -21.023 1.00 0.00 O ATOM 1726 CB GLN B 16 4.946 -0.446 -18.108 1.00 0.00 C ATOM 1727 CG GLN B 16 3.862 -1.177 -18.905 1.00 0.00 C ATOM 1728 CD GLN B 16 4.228 -2.659 -19.032 1.00 0.00 C ATOM 1729 OE1 GLN B 16 4.378 -3.345 -18.041 1.00 0.00 O ATOM 1730 NE2 GLN B 16 4.377 -3.186 -20.217 1.00 0.00 N ATOM 0 H GLN B 16 6.932 0.771 -17.293 1.00 0.00 H new ATOM 0 HA GLN B 16 6.633 -1.716 -18.594 1.00 0.00 H new ATOM 0 HB2 GLN B 16 4.944 -0.796 -17.076 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.728 0.622 -18.083 1.00 0.00 H new ATOM 0 HG2 GLN B 16 2.898 -1.072 -18.408 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.761 -0.731 -19.894 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.251 -2.611 -21.050 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.619 -4.173 -20.310 1.00 0.00 H new ATOM 1739 N TYR B 17 6.294 0.836 -20.659 1.00 0.00 N ATOM 1740 CA TYR B 17 6.231 1.130 -22.139 1.00 0.00 C ATOM 1741 C TYR B 17 7.473 1.901 -22.612 1.00 0.00 C ATOM 1742 O TYR B 17 7.829 1.853 -23.773 1.00 0.00 O ATOM 1743 CB TYR B 17 4.979 1.958 -22.423 1.00 0.00 C ATOM 1744 CG TYR B 17 5.119 3.305 -21.770 1.00 0.00 C ATOM 1745 CD1 TYR B 17 4.886 3.437 -20.400 1.00 0.00 C ATOM 1746 CD2 TYR B 17 5.491 4.417 -22.532 1.00 0.00 C ATOM 1747 CE1 TYR B 17 5.023 4.681 -19.785 1.00 0.00 C ATOM 1748 CE2 TYR B 17 5.632 5.665 -21.923 1.00 0.00 C ATOM 1749 CZ TYR B 17 5.398 5.801 -20.544 1.00 0.00 C ATOM 1750 OH TYR B 17 5.538 7.033 -19.937 1.00 0.00 O ATOM 0 H TYR B 17 6.344 1.656 -20.054 1.00 0.00 H new ATOM 0 HA TYR B 17 6.197 0.185 -22.680 1.00 0.00 H new ATOM 0 HB2 TYR B 17 4.841 2.074 -23.498 1.00 0.00 H new ATOM 0 HB3 TYR B 17 4.095 1.446 -22.042 1.00 0.00 H new ATOM 0 HD1 TYR B 17 4.599 2.575 -19.816 1.00 0.00 H new ATOM 0 HD2 TYR B 17 5.669 4.310 -23.592 1.00 0.00 H new ATOM 0 HE1 TYR B 17 4.841 4.783 -18.725 1.00 0.00 H new ATOM 0 HE2 TYR B 17 5.920 6.524 -22.510 1.00 0.00 H new ATOM 0 HH TYR B 17 5.145 7.002 -19.040 1.00 0.00 H new ATOM 1760 N SER B 18 8.129 2.618 -21.742 1.00 0.00 N ATOM 1761 CA SER B 18 9.334 3.391 -22.179 1.00 0.00 C ATOM 1762 C SER B 18 10.424 2.430 -22.659 1.00 0.00 C ATOM 1763 O SER B 18 11.112 2.690 -23.626 1.00 0.00 O ATOM 1764 CB SER B 18 9.875 4.227 -21.019 1.00 0.00 C ATOM 1765 OG SER B 18 10.461 3.366 -20.051 1.00 0.00 O ATOM 0 H SER B 18 7.888 2.704 -20.755 1.00 0.00 H new ATOM 0 HA SER B 18 9.045 4.053 -22.995 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.615 4.940 -21.384 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.070 4.806 -20.567 1.00 0.00 H new ATOM 0 HG SER B 18 10.121 3.595 -19.161 1.00 0.00 H new ATOM 1771 N GLY B 19 10.593 1.329 -21.980 1.00 0.00 N ATOM 1772 CA GLY B 19 11.644 0.351 -22.382 1.00 0.00 C ATOM 1773 C GLY B 19 11.224 -0.379 -23.662 1.00 0.00 C ATOM 1774 O GLY B 19 11.944 -1.211 -24.177 1.00 0.00 O ATOM 0 H GLY B 19 10.046 1.063 -21.161 1.00 0.00 H new ATOM 0 HA2 GLY B 19 12.590 0.868 -22.543 1.00 0.00 H new ATOM 0 HA3 GLY B 19 11.807 -0.369 -21.580 1.00 0.00 H new ATOM 1778 N ARG B 20 10.064 -0.080 -24.180 1.00 0.00 N ATOM 1779 CA ARG B 20 9.606 -0.765 -25.423 1.00 0.00 C ATOM 1780 C ARG B 20 10.599 -0.491 -26.556 1.00 0.00 C ATOM 1781 O ARG B 20 10.985 -1.386 -27.281 1.00 0.00 O ATOM 1782 CB ARG B 20 8.229 -0.225 -25.815 1.00 0.00 C ATOM 1783 CG ARG B 20 7.726 -0.939 -27.073 1.00 0.00 C ATOM 1784 CD ARG B 20 6.354 -0.387 -27.447 1.00 0.00 C ATOM 1785 NE ARG B 20 5.799 -1.168 -28.590 1.00 0.00 N ATOM 1786 CZ ARG B 20 4.530 -1.085 -28.886 1.00 0.00 C ATOM 1787 NH1 ARG B 20 3.736 -0.348 -28.160 1.00 0.00 N ATOM 1788 NH2 ARG B 20 4.053 -1.750 -29.903 1.00 0.00 N ATOM 0 H ARG B 20 9.415 0.607 -23.798 1.00 0.00 H new ATOM 0 HA ARG B 20 9.546 -1.839 -25.247 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.525 -0.373 -24.996 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.288 0.848 -25.995 1.00 0.00 H new ATOM 0 HG2 ARG B 20 8.427 -0.791 -27.894 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.664 -2.013 -26.896 1.00 0.00 H new ATOM 0 HD2 ARG B 20 5.681 -0.446 -26.592 1.00 0.00 H new ATOM 0 HD3 ARG B 20 6.435 0.666 -27.717 1.00 0.00 H new ATOM 0 HE ARG B 20 6.412 -1.768 -29.142 1.00 0.00 H new ATOM 0 HH11 ARG B 20 4.106 0.165 -27.360 1.00 0.00 H new ATOM 0 HH12 ARG B 20 2.745 -0.284 -28.393 1.00 0.00 H new ATOM 0 HH21 ARG B 20 4.672 -2.334 -30.466 1.00 0.00 H new ATOM 0 HH22 ARG B 20 3.062 -1.686 -30.135 1.00 0.00 H new ATOM 1802 N GLU B 21 11.009 0.744 -26.714 1.00 0.00 N ATOM 1803 CA GLU B 21 11.976 1.104 -27.805 1.00 0.00 C ATOM 1804 C GLU B 21 13.297 1.589 -27.197 1.00 0.00 C ATOM 1805 O GLU B 21 13.421 1.762 -26.001 1.00 0.00 O ATOM 1806 CB GLU B 21 11.378 2.213 -28.672 1.00 0.00 C ATOM 1807 CG GLU B 21 10.987 3.396 -27.786 1.00 0.00 C ATOM 1808 CD GLU B 21 10.418 4.520 -28.655 1.00 0.00 C ATOM 1809 OE1 GLU B 21 9.248 4.448 -28.993 1.00 0.00 O ATOM 1810 OE2 GLU B 21 11.164 5.432 -28.971 1.00 0.00 O ATOM 0 H GLU B 21 10.714 1.527 -26.130 1.00 0.00 H new ATOM 0 HA GLU B 21 12.166 0.222 -28.417 1.00 0.00 H new ATOM 0 HB2 GLU B 21 12.100 2.531 -29.424 1.00 0.00 H new ATOM 0 HB3 GLU B 21 10.504 1.840 -29.207 1.00 0.00 H new ATOM 0 HG2 GLU B 21 10.248 3.083 -27.049 1.00 0.00 H new ATOM 0 HG3 GLU B 21 11.856 3.753 -27.234 1.00 0.00 H new ATOM 1817 N GLY B 22 14.288 1.788 -28.023 1.00 0.00 N ATOM 1818 CA GLY B 22 15.622 2.237 -27.527 1.00 0.00 C ATOM 1819 C GLY B 22 15.500 3.494 -26.656 1.00 0.00 C ATOM 1820 O GLY B 22 16.289 3.703 -25.756 1.00 0.00 O ATOM 0 H GLY B 22 14.230 1.657 -29.033 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.086 1.437 -26.951 1.00 0.00 H new ATOM 0 HA3 GLY B 22 16.277 2.441 -28.374 1.00 0.00 H new ATOM 1824 N ASP B 23 14.540 4.343 -26.910 1.00 0.00 N ATOM 1825 CA ASP B 23 14.419 5.574 -26.085 1.00 0.00 C ATOM 1826 C ASP B 23 13.992 5.201 -24.659 1.00 0.00 C ATOM 1827 O ASP B 23 13.103 5.793 -24.092 1.00 0.00 O ATOM 1828 CB ASP B 23 13.382 6.504 -26.719 1.00 0.00 C ATOM 1829 CG ASP B 23 13.938 7.074 -28.024 1.00 0.00 C ATOM 1830 OD1 ASP B 23 15.147 7.054 -28.189 1.00 0.00 O ATOM 1831 OD2 ASP B 23 13.145 7.522 -28.836 1.00 0.00 O ATOM 0 H ASP B 23 13.842 4.237 -27.646 1.00 0.00 H new ATOM 0 HA ASP B 23 15.381 6.084 -26.041 1.00 0.00 H new ATOM 0 HB2 ASP B 23 12.459 5.958 -26.913 1.00 0.00 H new ATOM 0 HB3 ASP B 23 13.136 7.314 -26.032 1.00 0.00 H new ATOM 1836 N LYS B 24 14.626 4.224 -24.074 1.00 0.00 N ATOM 1837 CA LYS B 24 14.264 3.826 -22.681 1.00 0.00 C ATOM 1838 C LYS B 24 14.626 4.959 -21.713 1.00 0.00 C ATOM 1839 O LYS B 24 13.926 5.219 -20.755 1.00 0.00 O ATOM 1840 CB LYS B 24 15.040 2.570 -22.280 1.00 0.00 C ATOM 1841 CG LYS B 24 14.656 2.176 -20.850 1.00 0.00 C ATOM 1842 CD LYS B 24 15.226 0.793 -20.515 1.00 0.00 C ATOM 1843 CE LYS B 24 16.757 0.821 -20.599 1.00 0.00 C ATOM 1844 NZ LYS B 24 17.180 0.660 -22.018 1.00 0.00 N ATOM 0 H LYS B 24 15.379 3.683 -24.498 1.00 0.00 H new ATOM 0 HA LYS B 24 13.193 3.626 -22.638 1.00 0.00 H new ATOM 0 HB2 LYS B 24 14.816 1.754 -22.967 1.00 0.00 H new ATOM 0 HB3 LYS B 24 16.112 2.755 -22.344 1.00 0.00 H new ATOM 0 HG2 LYS B 24 15.037 2.916 -20.146 1.00 0.00 H new ATOM 0 HG3 LYS B 24 13.571 2.166 -20.746 1.00 0.00 H new ATOM 0 HD2 LYS B 24 14.914 0.495 -19.514 1.00 0.00 H new ATOM 0 HD3 LYS B 24 14.829 0.050 -21.207 1.00 0.00 H new ATOM 0 HE2 LYS B 24 17.137 1.762 -20.200 1.00 0.00 H new ATOM 0 HE3 LYS B 24 17.180 0.022 -19.990 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 17.876 -0.110 -22.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 16.351 0.431 -22.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 17.608 1.546 -22.355 1.00 0.00 H new ATOM 1858 N HIS B 25 15.739 5.606 -21.939 1.00 0.00 N ATOM 1859 CA HIS B 25 16.181 6.692 -21.014 1.00 0.00 C ATOM 1860 C HIS B 25 15.404 7.994 -21.266 1.00 0.00 C ATOM 1861 O HIS B 25 15.421 8.892 -20.447 1.00 0.00 O ATOM 1862 CB HIS B 25 17.677 6.942 -21.223 1.00 0.00 C ATOM 1863 CG HIS B 25 17.908 7.489 -22.605 1.00 0.00 C ATOM 1864 ND1 HIS B 25 17.903 6.677 -23.731 1.00 0.00 N ATOM 1865 CD2 HIS B 25 18.154 8.761 -23.059 1.00 0.00 C ATOM 1866 CE1 HIS B 25 18.139 7.463 -24.798 1.00 0.00 C ATOM 1867 NE2 HIS B 25 18.298 8.739 -24.441 1.00 0.00 N ATOM 0 H HIS B 25 16.363 5.429 -22.726 1.00 0.00 H new ATOM 0 HA HIS B 25 15.985 6.376 -19.989 1.00 0.00 H new ATOM 0 HB2 HIS B 25 18.047 7.645 -20.476 1.00 0.00 H new ATOM 0 HB3 HIS B 25 18.233 6.014 -21.090 1.00 0.00 H new ATOM 0 HD2 HIS B 25 18.225 9.642 -22.438 1.00 0.00 H new ATOM 0 HE1 HIS B 25 18.193 7.106 -25.816 1.00 0.00 H new ATOM 0 HE2 HIS B 25 18.486 9.532 -25.054 1.00 0.00 H new ATOM 1876 N LYS B 26 14.721 8.114 -22.377 1.00 0.00 N ATOM 1877 CA LYS B 26 13.945 9.370 -22.653 1.00 0.00 C ATOM 1878 C LYS B 26 12.617 9.011 -23.317 1.00 0.00 C ATOM 1879 O LYS B 26 12.486 7.986 -23.941 1.00 0.00 O ATOM 1880 CB LYS B 26 14.760 10.288 -23.573 1.00 0.00 C ATOM 1881 CG LYS B 26 15.049 9.583 -24.900 1.00 0.00 C ATOM 1882 CD LYS B 26 15.966 10.467 -25.752 1.00 0.00 C ATOM 1883 CE LYS B 26 16.251 9.779 -27.089 1.00 0.00 C ATOM 1884 NZ LYS B 26 17.394 10.457 -27.764 1.00 0.00 N ATOM 0 H LYS B 26 14.665 7.401 -23.105 1.00 0.00 H new ATOM 0 HA LYS B 26 13.748 9.891 -21.716 1.00 0.00 H new ATOM 0 HB2 LYS B 26 14.212 11.212 -23.755 1.00 0.00 H new ATOM 0 HB3 LYS B 26 15.696 10.564 -23.088 1.00 0.00 H new ATOM 0 HG2 LYS B 26 15.522 8.618 -24.717 1.00 0.00 H new ATOM 0 HG3 LYS B 26 14.118 9.386 -25.431 1.00 0.00 H new ATOM 0 HD2 LYS B 26 15.496 11.436 -25.924 1.00 0.00 H new ATOM 0 HD3 LYS B 26 16.900 10.655 -25.223 1.00 0.00 H new ATOM 0 HE2 LYS B 26 16.484 8.727 -26.926 1.00 0.00 H new ATOM 0 HE3 LYS B 26 15.366 9.815 -27.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 17.588 9.989 -28.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 17.155 11.455 -27.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 18.238 10.400 -27.159 1.00 0.00 H new ATOM 1898 N LEU B 27 11.622 9.844 -23.170 1.00 0.00 N ATOM 1899 CA LEU B 27 10.287 9.551 -23.782 1.00 0.00 C ATOM 1900 C LEU B 27 10.057 10.454 -24.989 1.00 0.00 C ATOM 1901 O LEU B 27 9.844 11.633 -24.849 1.00 0.00 O ATOM 1902 CB LEU B 27 9.193 9.823 -22.742 1.00 0.00 C ATOM 1903 CG LEU B 27 9.135 8.674 -21.725 1.00 0.00 C ATOM 1904 CD1 LEU B 27 8.228 9.088 -20.562 1.00 0.00 C ATOM 1905 CD2 LEU B 27 8.574 7.394 -22.385 1.00 0.00 C ATOM 0 H LEU B 27 11.674 10.720 -22.650 1.00 0.00 H new ATOM 0 HA LEU B 27 10.257 8.509 -24.101 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.394 10.763 -22.229 1.00 0.00 H new ATOM 0 HB3 LEU B 27 8.228 9.930 -23.237 1.00 0.00 H new ATOM 0 HG LEU B 27 10.142 8.465 -21.363 1.00 0.00 H new ATOM 0 HD11 LEU B 27 8.179 8.279 -19.833 1.00 0.00 H new ATOM 0 HD12 LEU B 27 8.632 9.982 -20.086 1.00 0.00 H new ATOM 0 HD13 LEU B 27 7.227 9.298 -20.938 1.00 0.00 H new ATOM 0 HD21 LEU B 27 8.540 6.590 -21.649 1.00 0.00 H new ATOM 0 HD22 LEU B 27 7.568 7.588 -22.758 1.00 0.00 H new ATOM 0 HD23 LEU B 27 9.218 7.100 -23.214 1.00 0.00 H new ATOM 1917 N LYS B 28 10.066 9.915 -26.177 1.00 0.00 N ATOM 1918 CA LYS B 28 9.811 10.769 -27.366 1.00 0.00 C ATOM 1919 C LYS B 28 8.301 10.939 -27.517 1.00 0.00 C ATOM 1920 O LYS B 28 7.542 10.085 -27.103 1.00 0.00 O ATOM 1921 CB LYS B 28 10.401 10.091 -28.608 1.00 0.00 C ATOM 1922 CG LYS B 28 10.117 10.932 -29.857 1.00 0.00 C ATOM 1923 CD LYS B 28 10.927 10.379 -31.032 1.00 0.00 C ATOM 1924 CE LYS B 28 10.474 11.045 -32.333 1.00 0.00 C ATOM 1925 NZ LYS B 28 10.670 12.519 -32.235 1.00 0.00 N ATOM 0 H LYS B 28 10.237 8.929 -26.373 1.00 0.00 H new ATOM 0 HA LYS B 28 10.278 11.747 -27.248 1.00 0.00 H new ATOM 0 HB2 LYS B 28 11.476 9.962 -28.484 1.00 0.00 H new ATOM 0 HB3 LYS B 28 9.972 9.096 -28.726 1.00 0.00 H new ATOM 0 HG2 LYS B 28 9.053 10.909 -30.091 1.00 0.00 H new ATOM 0 HG3 LYS B 28 10.381 11.974 -29.676 1.00 0.00 H new ATOM 0 HD2 LYS B 28 11.990 10.561 -30.871 1.00 0.00 H new ATOM 0 HD3 LYS B 28 10.795 9.299 -31.100 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.042 10.648 -33.174 1.00 0.00 H new ATOM 0 HE3 LYS B 28 9.425 10.819 -32.523 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.574 12.945 -33.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.954 12.923 -31.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.619 12.719 -31.860 1.00 0.00 H new ATOM 1939 N LYS B 29 7.847 12.027 -28.097 1.00 0.00 N ATOM 1940 CA LYS B 29 6.374 12.229 -28.263 1.00 0.00 C ATOM 1941 C LYS B 29 5.754 10.926 -28.752 1.00 0.00 C ATOM 1942 O LYS B 29 4.575 10.680 -28.603 1.00 0.00 O ATOM 1943 CB LYS B 29 6.106 13.343 -29.284 1.00 0.00 C ATOM 1944 CG LYS B 29 6.476 12.893 -30.703 1.00 0.00 C ATOM 1945 CD LYS B 29 6.402 14.101 -31.644 1.00 0.00 C ATOM 1946 CE LYS B 29 6.523 13.636 -33.096 1.00 0.00 C ATOM 1947 NZ LYS B 29 7.877 13.059 -33.322 1.00 0.00 N ATOM 0 H LYS B 29 8.432 12.780 -28.460 1.00 0.00 H new ATOM 0 HA LYS B 29 5.934 12.517 -27.308 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.054 13.625 -29.251 1.00 0.00 H new ATOM 0 HB3 LYS B 29 6.682 14.230 -29.019 1.00 0.00 H new ATOM 0 HG2 LYS B 29 7.480 12.468 -30.714 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.795 12.111 -31.040 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.459 14.629 -31.499 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.201 14.805 -31.410 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.758 12.892 -33.315 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.356 14.474 -33.772 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.965 12.758 -34.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.600 13.777 -33.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.013 12.238 -32.698 1.00 0.00 H new ATOM 1961 N SER B 30 6.563 10.093 -29.332 1.00 0.00 N ATOM 1962 CA SER B 30 6.060 8.784 -29.836 1.00 0.00 C ATOM 1963 C SER B 30 5.795 7.845 -28.655 1.00 0.00 C ATOM 1964 O SER B 30 4.746 7.241 -28.559 1.00 0.00 O ATOM 1965 CB SER B 30 7.102 8.157 -30.764 1.00 0.00 C ATOM 1966 OG SER B 30 8.257 7.814 -30.009 1.00 0.00 O ATOM 0 H SER B 30 7.558 10.260 -29.482 1.00 0.00 H new ATOM 0 HA SER B 30 5.133 8.942 -30.387 1.00 0.00 H new ATOM 0 HB2 SER B 30 6.691 7.269 -31.245 1.00 0.00 H new ATOM 0 HB3 SER B 30 7.366 8.856 -31.558 1.00 0.00 H new ATOM 0 HG SER B 30 8.926 7.410 -30.600 1.00 0.00 H new ATOM 1972 N GLU B 31 6.727 7.727 -27.744 1.00 0.00 N ATOM 1973 CA GLU B 31 6.505 6.838 -26.571 1.00 0.00 C ATOM 1974 C GLU B 31 5.437 7.471 -25.688 1.00 0.00 C ATOM 1975 O GLU B 31 4.638 6.794 -25.073 1.00 0.00 O ATOM 1976 CB GLU B 31 7.798 6.689 -25.773 1.00 0.00 C ATOM 1977 CG GLU B 31 8.833 5.930 -26.601 1.00 0.00 C ATOM 1978 CD GLU B 31 10.128 5.812 -25.798 1.00 0.00 C ATOM 1979 OE1 GLU B 31 10.779 6.825 -25.613 1.00 0.00 O ATOM 1980 OE2 GLU B 31 10.448 4.711 -25.383 1.00 0.00 O ATOM 0 H GLU B 31 7.627 8.207 -27.764 1.00 0.00 H new ATOM 0 HA GLU B 31 6.187 5.852 -26.910 1.00 0.00 H new ATOM 0 HB2 GLU B 31 8.185 7.672 -25.503 1.00 0.00 H new ATOM 0 HB3 GLU B 31 7.602 6.157 -24.842 1.00 0.00 H new ATOM 0 HG2 GLU B 31 8.457 4.939 -26.856 1.00 0.00 H new ATOM 0 HG3 GLU B 31 9.019 6.452 -27.540 1.00 0.00 H new ATOM 1987 N LEU B 32 5.419 8.775 -25.629 1.00 0.00 N ATOM 1988 CA LEU B 32 4.405 9.465 -24.794 1.00 0.00 C ATOM 1989 C LEU B 32 3.017 9.088 -25.300 1.00 0.00 C ATOM 1990 O LEU B 32 2.112 8.853 -24.532 1.00 0.00 O ATOM 1991 CB LEU B 32 4.600 10.981 -24.915 1.00 0.00 C ATOM 1992 CG LEU B 32 3.558 11.729 -24.068 1.00 0.00 C ATOM 1993 CD1 LEU B 32 3.696 11.340 -22.589 1.00 0.00 C ATOM 1994 CD2 LEU B 32 3.773 13.241 -24.228 1.00 0.00 C ATOM 0 H LEU B 32 6.065 9.389 -26.125 1.00 0.00 H new ATOM 0 HA LEU B 32 4.512 9.169 -23.751 1.00 0.00 H new ATOM 0 HB2 LEU B 32 5.604 11.251 -24.588 1.00 0.00 H new ATOM 0 HB3 LEU B 32 4.512 11.282 -25.959 1.00 0.00 H new ATOM 0 HG LEU B 32 2.558 11.459 -24.407 1.00 0.00 H new ATOM 0 HD11 LEU B 32 2.952 11.877 -22.001 1.00 0.00 H new ATOM 0 HD12 LEU B 32 3.540 10.267 -22.479 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.694 11.600 -22.236 1.00 0.00 H new ATOM 0 HD21 LEU B 32 3.037 13.778 -23.630 1.00 0.00 H new ATOM 0 HD22 LEU B 32 4.776 13.504 -23.891 1.00 0.00 H new ATOM 0 HD23 LEU B 32 3.659 13.516 -25.277 1.00 0.00 H new ATOM 2006 N LYS B 33 2.847 9.019 -26.589 1.00 0.00 N ATOM 2007 CA LYS B 33 1.518 8.642 -27.142 1.00 0.00 C ATOM 2008 C LYS B 33 1.132 7.245 -26.645 1.00 0.00 C ATOM 2009 O LYS B 33 -0.013 6.981 -26.334 1.00 0.00 O ATOM 2010 CB LYS B 33 1.565 8.649 -28.675 1.00 0.00 C ATOM 2011 CG LYS B 33 0.177 8.312 -29.234 1.00 0.00 C ATOM 2012 CD LYS B 33 0.221 8.318 -30.761 1.00 0.00 C ATOM 2013 CE LYS B 33 -1.186 8.078 -31.312 1.00 0.00 C ATOM 2014 NZ LYS B 33 -1.140 8.054 -32.801 1.00 0.00 N ATOM 0 H LYS B 33 3.570 9.207 -27.283 1.00 0.00 H new ATOM 0 HA LYS B 33 0.775 9.365 -26.806 1.00 0.00 H new ATOM 0 HB2 LYS B 33 1.885 9.627 -29.035 1.00 0.00 H new ATOM 0 HB3 LYS B 33 2.297 7.923 -29.030 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -0.143 7.334 -28.874 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -0.555 9.038 -28.879 1.00 0.00 H new ATOM 0 HD2 LYS B 33 0.606 9.272 -31.121 1.00 0.00 H new ATOM 0 HD3 LYS B 33 0.900 7.544 -31.119 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -1.580 7.134 -30.935 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -1.860 8.864 -30.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -2.097 7.891 -33.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -0.782 8.965 -33.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -0.510 7.289 -33.117 1.00 0.00 H new ATOM 2028 N GLU B 34 2.074 6.341 -26.585 1.00 0.00 N ATOM 2029 CA GLU B 34 1.753 4.958 -26.129 1.00 0.00 C ATOM 2030 C GLU B 34 1.243 5.004 -24.693 1.00 0.00 C ATOM 2031 O GLU B 34 0.325 4.308 -24.320 1.00 0.00 O ATOM 2032 CB GLU B 34 3.006 4.081 -26.215 1.00 0.00 C ATOM 2033 CG GLU B 34 3.349 3.833 -27.686 1.00 0.00 C ATOM 2034 CD GLU B 34 4.603 2.963 -27.785 1.00 0.00 C ATOM 2035 OE1 GLU B 34 5.076 2.520 -26.752 1.00 0.00 O ATOM 2036 OE2 GLU B 34 5.069 2.757 -28.893 1.00 0.00 O ATOM 0 H GLU B 34 3.051 6.501 -26.832 1.00 0.00 H new ATOM 0 HA GLU B 34 0.981 4.532 -26.770 1.00 0.00 H new ATOM 0 HB2 GLU B 34 3.841 4.569 -25.712 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.836 3.133 -25.704 1.00 0.00 H new ATOM 0 HG2 GLU B 34 2.514 3.342 -28.186 1.00 0.00 H new ATOM 0 HG3 GLU B 34 3.512 4.782 -28.196 1.00 0.00 H new ATOM 2043 N LEU B 35 1.831 5.822 -23.881 1.00 0.00 N ATOM 2044 CA LEU B 35 1.367 5.925 -22.475 1.00 0.00 C ATOM 2045 C LEU B 35 -0.089 6.366 -22.496 1.00 0.00 C ATOM 2046 O LEU B 35 -0.940 5.798 -21.861 1.00 0.00 O ATOM 2047 CB LEU B 35 2.250 6.989 -21.779 1.00 0.00 C ATOM 2048 CG LEU B 35 1.796 7.379 -20.339 1.00 0.00 C ATOM 2049 CD1 LEU B 35 0.819 8.569 -20.369 1.00 0.00 C ATOM 2050 CD2 LEU B 35 1.150 6.209 -19.594 1.00 0.00 C ATOM 0 H LEU B 35 2.615 6.427 -24.127 1.00 0.00 H new ATOM 0 HA LEU B 35 1.444 4.978 -21.941 1.00 0.00 H new ATOM 0 HB2 LEU B 35 3.274 6.617 -21.733 1.00 0.00 H new ATOM 0 HB3 LEU B 35 2.265 7.888 -22.396 1.00 0.00 H new ATOM 0 HG LEU B 35 2.700 7.665 -19.801 1.00 0.00 H new ATOM 0 HD11 LEU B 35 0.519 8.819 -19.351 1.00 0.00 H new ATOM 0 HD12 LEU B 35 1.308 9.430 -20.825 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -0.062 8.301 -20.952 1.00 0.00 H new ATOM 0 HD21 LEU B 35 0.852 6.533 -18.597 1.00 0.00 H new ATOM 0 HD22 LEU B 35 0.272 5.869 -20.143 1.00 0.00 H new ATOM 0 HD23 LEU B 35 1.866 5.391 -19.511 1.00 0.00 H new ATOM 2062 N ILE B 36 -0.371 7.396 -23.224 1.00 0.00 N ATOM 2063 CA ILE B 36 -1.758 7.927 -23.274 1.00 0.00 C ATOM 2064 C ILE B 36 -2.710 7.062 -24.107 1.00 0.00 C ATOM 2065 O ILE B 36 -3.833 6.817 -23.713 1.00 0.00 O ATOM 2066 CB ILE B 36 -1.709 9.330 -23.885 1.00 0.00 C ATOM 2067 CG1 ILE B 36 -0.884 10.255 -22.984 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -3.125 9.882 -24.038 1.00 0.00 C ATOM 2069 CD1 ILE B 36 -0.621 11.582 -23.703 1.00 0.00 C ATOM 0 H ILE B 36 0.305 7.903 -23.796 1.00 0.00 H new ATOM 0 HA ILE B 36 -2.144 7.933 -22.255 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.242 9.276 -24.869 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -1.416 10.436 -22.050 1.00 0.00 H new ATOM 0 HG13 ILE B 36 0.061 9.778 -22.726 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -3.081 10.880 -24.473 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -3.702 9.227 -24.690 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.603 9.933 -23.060 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -0.034 12.235 -23.058 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -0.071 11.393 -24.625 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -1.571 12.063 -23.939 1.00 0.00 H new ATOM 2081 N ASN B 37 -2.316 6.663 -25.280 1.00 0.00 N ATOM 2082 CA ASN B 37 -3.261 5.895 -26.147 1.00 0.00 C ATOM 2083 C ASN B 37 -3.388 4.426 -25.741 1.00 0.00 C ATOM 2084 O ASN B 37 -4.463 3.859 -25.763 1.00 0.00 O ATOM 2085 CB ASN B 37 -2.778 5.965 -27.595 1.00 0.00 C ATOM 2086 CG ASN B 37 -3.819 5.313 -28.506 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -3.571 4.273 -29.083 1.00 0.00 O ATOM 2088 ND2 ASN B 37 -4.985 5.880 -28.654 1.00 0.00 N ATOM 0 H ASN B 37 -1.392 6.830 -25.678 1.00 0.00 H new ATOM 0 HA ASN B 37 -4.244 6.351 -26.031 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -2.620 7.003 -27.888 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -1.819 5.456 -27.696 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -5.689 5.450 -29.254 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -5.193 6.753 -28.169 1.00 0.00 H new ATOM 2095 N ASN B 38 -2.299 3.788 -25.444 1.00 0.00 N ATOM 2096 CA ASN B 38 -2.348 2.320 -25.119 1.00 0.00 C ATOM 2097 C ASN B 38 -2.411 2.029 -23.616 1.00 0.00 C ATOM 2098 O ASN B 38 -2.985 1.039 -23.208 1.00 0.00 O ATOM 2099 CB ASN B 38 -1.093 1.657 -25.684 1.00 0.00 C ATOM 2100 CG ASN B 38 -1.054 1.862 -27.196 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -0.110 1.468 -27.851 1.00 0.00 O ATOM 2102 ND2 ASN B 38 -2.048 2.475 -27.778 1.00 0.00 N ATOM 0 H ASN B 38 -1.370 4.209 -25.409 1.00 0.00 H new ATOM 0 HA ASN B 38 -3.262 1.925 -25.563 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -0.203 2.085 -25.224 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -1.093 0.593 -25.449 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -2.034 2.625 -28.787 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -2.839 2.804 -27.224 1.00 0.00 H new ATOM 2109 N GLU B 39 -1.803 2.825 -22.783 1.00 0.00 N ATOM 2110 CA GLU B 39 -1.826 2.496 -21.325 1.00 0.00 C ATOM 2111 C GLU B 39 -3.093 3.052 -20.663 1.00 0.00 C ATOM 2112 O GLU B 39 -3.398 2.714 -19.536 1.00 0.00 O ATOM 2113 CB GLU B 39 -0.578 3.089 -20.650 1.00 0.00 C ATOM 2114 CG GLU B 39 -0.235 2.284 -19.395 1.00 0.00 C ATOM 2115 CD GLU B 39 0.343 0.927 -19.807 1.00 0.00 C ATOM 2116 OE1 GLU B 39 0.624 0.758 -20.982 1.00 0.00 O ATOM 2117 OE2 GLU B 39 0.496 0.080 -18.943 1.00 0.00 O ATOM 0 H GLU B 39 -1.299 3.674 -23.038 1.00 0.00 H new ATOM 0 HA GLU B 39 -1.827 1.412 -21.208 1.00 0.00 H new ATOM 0 HB2 GLU B 39 0.263 3.075 -21.343 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -0.757 4.132 -20.387 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.485 2.829 -18.785 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -1.127 2.142 -18.785 1.00 0.00 H new ATOM 2124 N LEU B 40 -3.840 3.889 -21.349 1.00 0.00 N ATOM 2125 CA LEU B 40 -5.099 4.452 -20.748 1.00 0.00 C ATOM 2126 C LEU B 40 -6.306 3.915 -21.521 1.00 0.00 C ATOM 2127 O LEU B 40 -7.131 4.665 -22.002 1.00 0.00 O ATOM 2128 CB LEU B 40 -5.093 5.985 -20.830 1.00 0.00 C ATOM 2129 CG LEU B 40 -3.773 6.543 -20.286 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -3.843 8.072 -20.237 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -3.510 6.009 -18.874 1.00 0.00 C ATOM 0 H LEU B 40 -3.634 4.207 -22.296 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.156 4.153 -19.701 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.230 6.301 -21.864 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.929 6.390 -20.259 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.964 6.228 -20.945 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.904 8.467 -19.850 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -4.014 8.461 -21.241 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -4.661 8.378 -19.585 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.569 6.414 -18.501 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.322 6.312 -18.213 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.451 4.921 -18.902 1.00 0.00 H new ATOM 2143 N SER B 41 -6.412 2.620 -21.650 1.00 0.00 N ATOM 2144 CA SER B 41 -7.565 2.040 -22.398 1.00 0.00 C ATOM 2145 C SER B 41 -8.877 2.498 -21.753 1.00 0.00 C ATOM 2146 O SER B 41 -9.303 1.973 -20.744 1.00 0.00 O ATOM 2147 CB SER B 41 -7.484 0.513 -22.359 1.00 0.00 C ATOM 2148 OG SER B 41 -7.185 0.092 -21.034 1.00 0.00 O ATOM 0 H SER B 41 -5.753 1.940 -21.271 1.00 0.00 H new ATOM 0 HA SER B 41 -7.532 2.379 -23.433 1.00 0.00 H new ATOM 0 HB2 SER B 41 -8.429 0.079 -22.686 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.716 0.160 -23.047 1.00 0.00 H new ATOM 0 HG SER B 41 -7.764 0.567 -20.401 1.00 0.00 H new ATOM 2154 N HIS B 42 -9.512 3.480 -22.337 1.00 0.00 N ATOM 2155 CA HIS B 42 -10.801 4.001 -21.789 1.00 0.00 C ATOM 2156 C HIS B 42 -10.635 4.424 -20.326 1.00 0.00 C ATOM 2157 O HIS B 42 -11.555 4.935 -19.717 1.00 0.00 O ATOM 2158 CB HIS B 42 -11.885 2.925 -21.890 1.00 0.00 C ATOM 2159 CG HIS B 42 -12.268 2.735 -23.331 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -11.504 1.976 -24.205 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -13.333 3.195 -24.065 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -12.115 2.001 -25.405 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -13.232 2.730 -25.371 1.00 0.00 N ATOM 0 H HIS B 42 -9.188 3.950 -23.182 1.00 0.00 H new ATOM 0 HA HIS B 42 -11.096 4.871 -22.375 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -11.521 1.986 -21.472 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -12.758 3.217 -21.306 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -14.127 3.822 -23.686 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -11.747 1.494 -26.285 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -13.876 2.909 -26.141 1.00 0.00 H new ATOM 2172 N PHE B 43 -9.477 4.239 -19.755 1.00 0.00 N ATOM 2173 CA PHE B 43 -9.282 4.657 -18.342 1.00 0.00 C ATOM 2174 C PHE B 43 -9.286 6.189 -18.294 1.00 0.00 C ATOM 2175 O PHE B 43 -9.833 6.795 -17.394 1.00 0.00 O ATOM 2176 CB PHE B 43 -7.955 4.084 -17.819 1.00 0.00 C ATOM 2177 CG PHE B 43 -7.530 4.735 -16.511 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -8.476 5.216 -15.587 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -6.162 4.852 -16.225 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.048 5.809 -14.393 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -5.740 5.446 -15.030 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.683 5.925 -14.116 1.00 0.00 C ATOM 0 H PHE B 43 -8.663 3.819 -20.204 1.00 0.00 H new ATOM 0 HA PHE B 43 -10.082 4.278 -17.707 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.057 3.009 -17.673 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.176 4.231 -18.567 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -9.531 5.128 -15.799 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.432 4.482 -16.929 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -8.775 6.178 -13.684 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.686 5.534 -14.814 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.357 6.385 -13.195 1.00 0.00 H new ATOM 2192 N LEU B 44 -8.693 6.816 -19.283 1.00 0.00 N ATOM 2193 CA LEU B 44 -8.662 8.314 -19.346 1.00 0.00 C ATOM 2194 C LEU B 44 -9.129 8.755 -20.739 1.00 0.00 C ATOM 2195 O LEU B 44 -9.984 8.134 -21.340 1.00 0.00 O ATOM 2196 CB LEU B 44 -7.229 8.818 -19.114 1.00 0.00 C ATOM 2197 CG LEU B 44 -7.258 10.302 -18.670 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -7.345 10.390 -17.142 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -5.987 11.015 -19.149 1.00 0.00 C ATOM 0 H LEU B 44 -8.224 6.348 -20.058 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.315 8.726 -18.577 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.739 8.211 -18.353 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.645 8.714 -20.028 1.00 0.00 H new ATOM 0 HG LEU B 44 -8.132 10.783 -19.110 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.365 11.437 -16.838 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.254 9.896 -16.800 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.478 9.900 -16.699 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -6.014 12.058 -18.833 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.112 10.528 -18.718 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -5.930 10.966 -20.236 1.00 0.00 H new ATOM 2211 N GLU B 45 -8.566 9.814 -21.266 1.00 0.00 N ATOM 2212 CA GLU B 45 -8.973 10.275 -22.627 1.00 0.00 C ATOM 2213 C GLU B 45 -8.023 9.670 -23.658 1.00 0.00 C ATOM 2214 O GLU B 45 -6.886 10.080 -23.785 1.00 0.00 O ATOM 2215 CB GLU B 45 -8.881 11.801 -22.711 1.00 0.00 C ATOM 2216 CG GLU B 45 -9.403 12.261 -24.077 1.00 0.00 C ATOM 2217 CD GLU B 45 -9.320 13.782 -24.179 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -9.050 14.413 -23.170 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -9.522 14.291 -25.269 1.00 0.00 O ATOM 0 H GLU B 45 -7.845 10.377 -20.814 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.999 9.962 -22.822 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -9.465 12.257 -21.912 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -7.849 12.123 -22.575 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.817 11.802 -24.873 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.434 11.934 -24.211 1.00 0.00 H new ATOM 2226 N GLU B 46 -8.477 8.705 -24.401 1.00 0.00 N ATOM 2227 CA GLU B 46 -7.596 8.090 -25.426 1.00 0.00 C ATOM 2228 C GLU B 46 -7.331 9.109 -26.537 1.00 0.00 C ATOM 2229 O GLU B 46 -8.233 9.779 -26.998 1.00 0.00 O ATOM 2230 CB GLU B 46 -8.284 6.851 -26.010 1.00 0.00 C ATOM 2231 CG GLU B 46 -7.371 6.190 -27.048 1.00 0.00 C ATOM 2232 CD GLU B 46 -8.056 4.948 -27.619 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -9.111 4.594 -27.120 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -7.510 4.369 -28.545 1.00 0.00 O ATOM 0 H GLU B 46 -9.418 8.316 -24.343 1.00 0.00 H new ATOM 0 HA GLU B 46 -6.650 7.794 -24.973 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -8.516 6.144 -25.214 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -9.230 7.133 -26.472 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -7.146 6.894 -27.849 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.421 5.915 -26.589 1.00 0.00 H new ATOM 2241 N ILE B 47 -6.109 9.214 -26.993 1.00 0.00 N ATOM 2242 CA ILE B 47 -5.802 10.168 -28.100 1.00 0.00 C ATOM 2243 C ILE B 47 -5.916 9.401 -29.411 1.00 0.00 C ATOM 2244 O ILE B 47 -5.477 8.274 -29.522 1.00 0.00 O ATOM 2245 CB ILE B 47 -4.398 10.755 -27.929 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -4.424 11.719 -26.734 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -3.996 11.506 -29.210 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -3.027 12.282 -26.478 1.00 0.00 C ATOM 0 H ILE B 47 -5.311 8.681 -26.647 1.00 0.00 H new ATOM 0 HA ILE B 47 -6.502 11.003 -28.092 1.00 0.00 H new ATOM 0 HB ILE B 47 -3.671 9.963 -27.749 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -5.122 12.533 -26.930 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -4.782 11.199 -25.846 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -2.997 11.924 -29.088 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -4.000 10.815 -30.053 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -4.706 12.312 -29.397 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -3.060 12.964 -25.628 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -2.339 11.465 -26.261 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -2.684 12.820 -27.362 1.00 0.00 H new ATOM 2260 N LYS B 48 -6.551 9.988 -30.389 1.00 0.00 N ATOM 2261 CA LYS B 48 -6.762 9.288 -31.690 1.00 0.00 C ATOM 2262 C LYS B 48 -5.901 9.916 -32.790 1.00 0.00 C ATOM 2263 O LYS B 48 -5.603 9.280 -33.782 1.00 0.00 O ATOM 2264 CB LYS B 48 -8.252 9.414 -32.053 1.00 0.00 C ATOM 2265 CG LYS B 48 -9.118 9.301 -30.768 1.00 0.00 C ATOM 2266 CD LYS B 48 -9.465 10.696 -30.222 1.00 0.00 C ATOM 2267 CE LYS B 48 -10.436 10.559 -29.047 1.00 0.00 C ATOM 2268 NZ LYS B 48 -11.803 10.267 -29.562 1.00 0.00 N ATOM 0 H LYS B 48 -6.936 10.931 -30.342 1.00 0.00 H new ATOM 0 HA LYS B 48 -6.473 8.241 -31.600 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -8.437 10.369 -32.544 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.531 8.633 -32.760 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -10.034 8.753 -30.988 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -8.580 8.732 -30.010 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -8.558 11.208 -29.900 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -9.912 11.305 -31.008 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -10.108 9.760 -28.382 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -10.446 11.478 -28.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -12.317 9.683 -28.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -12.316 11.159 -29.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -11.732 9.755 -30.464 1.00 0.00 H new ATOM 2282 N GLU B 49 -5.509 11.159 -32.632 1.00 0.00 N ATOM 2283 CA GLU B 49 -4.678 11.836 -33.676 1.00 0.00 C ATOM 2284 C GLU B 49 -3.344 12.289 -33.063 1.00 0.00 C ATOM 2285 O GLU B 49 -3.289 12.800 -31.962 1.00 0.00 O ATOM 2286 CB GLU B 49 -5.455 13.040 -34.212 1.00 0.00 C ATOM 2287 CG GLU B 49 -4.740 13.619 -35.435 1.00 0.00 C ATOM 2288 CD GLU B 49 -4.846 12.638 -36.604 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -5.726 11.794 -36.565 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -4.045 12.747 -37.518 1.00 0.00 O ATOM 0 H GLU B 49 -5.731 11.735 -31.820 1.00 0.00 H new ATOM 0 HA GLU B 49 -4.465 11.147 -34.493 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -6.468 12.740 -34.480 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -5.543 13.801 -33.437 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -5.184 14.576 -35.709 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -3.693 13.809 -35.200 1.00 0.00 H new ATOM 2297 N GLN B 50 -2.271 12.087 -33.779 1.00 0.00 N ATOM 2298 CA GLN B 50 -0.913 12.475 -33.284 1.00 0.00 C ATOM 2299 C GLN B 50 -0.840 13.987 -33.033 1.00 0.00 C ATOM 2300 O GLN B 50 -0.037 14.450 -32.251 1.00 0.00 O ATOM 2301 CB GLN B 50 0.119 12.089 -34.350 1.00 0.00 C ATOM 2302 CG GLN B 50 1.541 12.300 -33.820 1.00 0.00 C ATOM 2303 CD GLN B 50 1.843 11.268 -32.733 1.00 0.00 C ATOM 2304 OE1 GLN B 50 1.761 10.079 -32.969 1.00 0.00 O ATOM 2305 NE2 GLN B 50 2.199 11.674 -31.545 1.00 0.00 N ATOM 0 H GLN B 50 -2.276 11.661 -34.706 1.00 0.00 H new ATOM 0 HA GLN B 50 -0.710 11.959 -32.346 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -0.018 11.046 -34.637 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -0.034 12.689 -35.247 1.00 0.00 H new ATOM 0 HG2 GLN B 50 2.260 12.207 -34.634 1.00 0.00 H new ATOM 0 HG3 GLN B 50 1.644 13.308 -33.417 1.00 0.00 H new ATOM 0 HE21 GLN B 50 2.268 12.672 -31.347 1.00 0.00 H new ATOM 0 HE22 GLN B 50 2.408 10.993 -30.815 1.00 0.00 H new ATOM 2314 N GLU B 51 -1.643 14.761 -33.707 1.00 0.00 N ATOM 2315 CA GLU B 51 -1.580 16.244 -33.521 1.00 0.00 C ATOM 2316 C GLU B 51 -1.869 16.600 -32.066 1.00 0.00 C ATOM 2317 O GLU B 51 -1.273 17.501 -31.520 1.00 0.00 O ATOM 2318 CB GLU B 51 -2.601 16.929 -34.438 1.00 0.00 C ATOM 2319 CG GLU B 51 -4.023 16.645 -33.948 1.00 0.00 C ATOM 2320 CD GLU B 51 -5.030 17.127 -34.996 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -4.650 17.940 -35.823 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -6.162 16.674 -34.954 1.00 0.00 O ATOM 0 H GLU B 51 -2.339 14.436 -34.378 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.580 16.591 -33.779 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -2.422 18.004 -34.455 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.482 16.570 -35.460 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -4.151 15.577 -33.769 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -4.200 17.151 -32.999 1.00 0.00 H new ATOM 2329 N VAL B 52 -2.762 15.904 -31.425 1.00 0.00 N ATOM 2330 CA VAL B 52 -3.049 16.224 -30.004 1.00 0.00 C ATOM 2331 C VAL B 52 -1.767 16.047 -29.212 1.00 0.00 C ATOM 2332 O VAL B 52 -1.464 16.809 -28.325 1.00 0.00 O ATOM 2333 CB VAL B 52 -4.119 15.277 -29.464 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -4.337 15.541 -27.972 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -5.422 15.505 -30.223 1.00 0.00 C ATOM 0 H VAL B 52 -3.301 15.134 -31.820 1.00 0.00 H new ATOM 0 HA VAL B 52 -3.412 17.248 -29.916 1.00 0.00 H new ATOM 0 HB VAL B 52 -3.794 14.245 -29.599 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -5.101 14.864 -27.590 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -3.404 15.376 -27.433 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -4.662 16.572 -27.828 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -6.189 14.831 -29.841 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -5.746 16.537 -30.088 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -5.264 15.310 -31.284 1.00 0.00 H new ATOM 2345 N VAL B 53 -1.024 15.034 -29.527 1.00 0.00 N ATOM 2346 CA VAL B 53 0.246 14.777 -28.807 1.00 0.00 C ATOM 2347 C VAL B 53 1.242 15.899 -29.085 1.00 0.00 C ATOM 2348 O VAL B 53 2.039 16.240 -28.247 1.00 0.00 O ATOM 2349 CB VAL B 53 0.821 13.456 -29.289 1.00 0.00 C ATOM 2350 CG1 VAL B 53 2.047 13.098 -28.463 1.00 0.00 C ATOM 2351 CG2 VAL B 53 -0.224 12.371 -29.122 1.00 0.00 C ATOM 0 H VAL B 53 -1.244 14.363 -30.263 1.00 0.00 H new ATOM 0 HA VAL B 53 0.056 14.734 -27.735 1.00 0.00 H new ATOM 0 HB VAL B 53 1.104 13.544 -30.338 1.00 0.00 H new ATOM 0 HG11 VAL B 53 2.456 12.150 -28.812 1.00 0.00 H new ATOM 0 HG12 VAL B 53 2.799 13.880 -28.571 1.00 0.00 H new ATOM 0 HG13 VAL B 53 1.765 13.008 -27.414 1.00 0.00 H new ATOM 0 HG21 VAL B 53 0.181 11.419 -29.466 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -0.499 12.289 -28.070 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -1.107 12.623 -29.709 1.00 0.00 H new ATOM 2361 N ASP B 54 1.215 16.455 -30.263 1.00 0.00 N ATOM 2362 CA ASP B 54 2.166 17.551 -30.603 1.00 0.00 C ATOM 2363 C ASP B 54 1.850 18.786 -29.760 1.00 0.00 C ATOM 2364 O ASP B 54 2.723 19.501 -29.310 1.00 0.00 O ATOM 2365 CB ASP B 54 2.035 17.900 -32.087 1.00 0.00 C ATOM 2366 CG ASP B 54 2.593 16.755 -32.934 1.00 0.00 C ATOM 2367 OD1 ASP B 54 3.367 15.974 -32.405 1.00 0.00 O ATOM 2368 OD2 ASP B 54 2.235 16.676 -34.098 1.00 0.00 O ATOM 0 H ASP B 54 0.571 16.196 -31.010 1.00 0.00 H new ATOM 0 HA ASP B 54 3.184 17.222 -30.395 1.00 0.00 H new ATOM 0 HB2 ASP B 54 0.989 18.076 -32.339 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.574 18.822 -32.303 1.00 0.00 H new ATOM 2373 N LYS B 55 0.599 19.038 -29.555 1.00 0.00 N ATOM 2374 CA LYS B 55 0.184 20.217 -28.745 1.00 0.00 C ATOM 2375 C LYS B 55 0.558 19.956 -27.292 1.00 0.00 C ATOM 2376 O LYS B 55 1.026 20.824 -26.575 1.00 0.00 O ATOM 2377 CB LYS B 55 -1.329 20.419 -28.880 1.00 0.00 C ATOM 2378 CG LYS B 55 -1.763 21.652 -28.084 1.00 0.00 C ATOM 2379 CD LYS B 55 -3.274 21.845 -28.227 1.00 0.00 C ATOM 2380 CE LYS B 55 -3.701 23.117 -27.491 1.00 0.00 C ATOM 2381 NZ LYS B 55 -3.513 22.930 -26.024 1.00 0.00 N ATOM 0 H LYS B 55 -0.170 18.474 -29.916 1.00 0.00 H new ATOM 0 HA LYS B 55 0.687 21.119 -29.095 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -1.596 20.541 -29.930 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -1.856 19.537 -28.517 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -1.499 21.531 -27.033 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -1.237 22.535 -28.446 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -3.544 21.915 -29.281 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -3.801 20.982 -27.819 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -3.112 23.966 -27.838 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -4.745 23.343 -27.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -4.413 23.105 -25.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -3.200 21.956 -25.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -2.795 23.598 -25.678 1.00 0.00 H new ATOM 2395 N VAL B 56 0.369 18.744 -26.866 1.00 0.00 N ATOM 2396 CA VAL B 56 0.717 18.372 -25.475 1.00 0.00 C ATOM 2397 C VAL B 56 2.231 18.463 -25.338 1.00 0.00 C ATOM 2398 O VAL B 56 2.762 18.776 -24.292 1.00 0.00 O ATOM 2399 CB VAL B 56 0.224 16.949 -25.193 1.00 0.00 C ATOM 2400 CG1 VAL B 56 0.848 16.425 -23.902 1.00 0.00 C ATOM 2401 CG2 VAL B 56 -1.299 16.969 -25.043 1.00 0.00 C ATOM 0 H VAL B 56 -0.017 17.987 -27.430 1.00 0.00 H new ATOM 0 HA VAL B 56 0.244 19.040 -24.756 1.00 0.00 H new ATOM 0 HB VAL B 56 0.512 16.298 -26.019 1.00 0.00 H new ATOM 0 HG11 VAL B 56 0.491 15.413 -23.710 1.00 0.00 H new ATOM 0 HG12 VAL B 56 1.933 16.415 -24.001 1.00 0.00 H new ATOM 0 HG13 VAL B 56 0.565 17.073 -23.072 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -1.658 15.960 -24.842 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -1.575 17.624 -24.216 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -1.750 17.338 -25.964 1.00 0.00 H new ATOM 2411 N MET B 57 2.923 18.210 -26.411 1.00 0.00 N ATOM 2412 CA MET B 57 4.407 18.298 -26.384 1.00 0.00 C ATOM 2413 C MET B 57 4.781 19.744 -26.088 1.00 0.00 C ATOM 2414 O MET B 57 5.720 20.020 -25.387 1.00 0.00 O ATOM 2415 CB MET B 57 4.978 17.862 -27.754 1.00 0.00 C ATOM 2416 CG MET B 57 5.510 16.401 -27.727 1.00 0.00 C ATOM 2417 SD MET B 57 7.332 16.440 -27.760 1.00 0.00 S ATOM 2418 CE MET B 57 7.688 15.225 -26.464 1.00 0.00 C ATOM 0 H MET B 57 2.522 17.945 -27.311 1.00 0.00 H new ATOM 0 HA MET B 57 4.821 17.641 -25.619 1.00 0.00 H new ATOM 0 HB2 MET B 57 4.202 17.951 -28.515 1.00 0.00 H new ATOM 0 HB3 MET B 57 5.785 18.536 -28.041 1.00 0.00 H new ATOM 0 HG2 MET B 57 5.159 15.888 -26.831 1.00 0.00 H new ATOM 0 HG3 MET B 57 5.129 15.844 -28.583 1.00 0.00 H new ATOM 0 HE1 MET B 57 8.562 15.544 -25.896 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.831 15.144 -25.796 1.00 0.00 H new ATOM 0 HE3 MET B 57 7.886 14.255 -26.919 1.00 0.00 H new ATOM 2428 N GLU B 58 4.049 20.679 -26.603 1.00 0.00 N ATOM 2429 CA GLU B 58 4.399 22.090 -26.319 1.00 0.00 C ATOM 2430 C GLU B 58 4.435 22.264 -24.802 1.00 0.00 C ATOM 2431 O GLU B 58 5.292 22.932 -24.259 1.00 0.00 O ATOM 2432 CB GLU B 58 3.337 23.014 -26.916 1.00 0.00 C ATOM 2433 CG GLU B 58 3.790 24.466 -26.768 1.00 0.00 C ATOM 2434 CD GLU B 58 2.735 25.400 -27.364 1.00 0.00 C ATOM 2435 OE1 GLU B 58 1.772 24.897 -27.918 1.00 0.00 O ATOM 2436 OE2 GLU B 58 2.909 26.603 -27.255 1.00 0.00 O ATOM 0 H GLU B 58 3.235 20.534 -27.200 1.00 0.00 H new ATOM 0 HA GLU B 58 5.365 22.340 -26.757 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.181 22.775 -27.968 1.00 0.00 H new ATOM 0 HB3 GLU B 58 2.383 22.865 -26.410 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.946 24.703 -25.715 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.745 24.612 -27.272 1.00 0.00 H new ATOM 2443 N THR B 59 3.509 21.654 -24.114 1.00 0.00 N ATOM 2444 CA THR B 59 3.481 21.767 -22.628 1.00 0.00 C ATOM 2445 C THR B 59 4.505 20.829 -21.970 1.00 0.00 C ATOM 2446 O THR B 59 5.166 21.197 -21.020 1.00 0.00 O ATOM 2447 CB THR B 59 2.082 21.411 -22.124 1.00 0.00 C ATOM 2448 OG1 THR B 59 1.134 22.310 -22.684 1.00 0.00 O ATOM 2449 CG2 THR B 59 2.042 21.508 -20.598 1.00 0.00 C ATOM 0 H THR B 59 2.769 21.081 -24.518 1.00 0.00 H new ATOM 0 HA THR B 59 3.737 22.792 -22.361 1.00 0.00 H new ATOM 0 HB THR B 59 1.839 20.392 -22.425 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.237 22.081 -22.363 1.00 0.00 H new ATOM 0 HG21 THR B 59 1.043 21.254 -20.243 1.00 0.00 H new ATOM 0 HG22 THR B 59 2.767 20.815 -20.170 1.00 0.00 H new ATOM 0 HG23 THR B 59 2.288 22.525 -20.291 1.00 0.00 H new ATOM 2457 N LEU B 60 4.620 19.610 -22.436 1.00 0.00 N ATOM 2458 CA LEU B 60 5.576 18.648 -21.799 1.00 0.00 C ATOM 2459 C LEU B 60 6.961 18.760 -22.430 1.00 0.00 C ATOM 2460 O LEU B 60 7.938 18.300 -21.873 1.00 0.00 O ATOM 2461 CB LEU B 60 5.043 17.212 -21.978 1.00 0.00 C ATOM 2462 CG LEU B 60 4.087 16.854 -20.825 1.00 0.00 C ATOM 2463 CD1 LEU B 60 3.193 15.673 -21.248 1.00 0.00 C ATOM 2464 CD2 LEU B 60 4.903 16.485 -19.558 1.00 0.00 C ATOM 0 H LEU B 60 4.095 19.239 -23.228 1.00 0.00 H new ATOM 0 HA LEU B 60 5.660 18.888 -20.739 1.00 0.00 H new ATOM 0 HB2 LEU B 60 4.523 17.125 -22.932 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.875 16.508 -22.003 1.00 0.00 H new ATOM 0 HG LEU B 60 3.457 17.713 -20.595 1.00 0.00 H new ATOM 0 HD11 LEU B 60 2.516 15.419 -20.432 1.00 0.00 H new ATOM 0 HD12 LEU B 60 2.613 15.953 -22.127 1.00 0.00 H new ATOM 0 HD13 LEU B 60 3.817 14.811 -21.484 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.221 16.233 -18.746 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.542 15.629 -19.774 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.520 17.334 -19.263 1.00 0.00 H new ATOM 2476 N ASP B 61 7.071 19.362 -23.576 1.00 0.00 N ATOM 2477 CA ASP B 61 8.415 19.483 -24.201 1.00 0.00 C ATOM 2478 C ASP B 61 9.125 20.651 -23.541 1.00 0.00 C ATOM 2479 O ASP B 61 9.519 21.609 -24.177 1.00 0.00 O ATOM 2480 CB ASP B 61 8.295 19.717 -25.707 1.00 0.00 C ATOM 2481 CG ASP B 61 9.675 19.581 -26.346 1.00 0.00 C ATOM 2482 OD1 ASP B 61 10.645 19.527 -25.606 1.00 0.00 O ATOM 2483 OD2 ASP B 61 9.740 19.531 -27.563 1.00 0.00 O ATOM 0 H ASP B 61 6.300 19.772 -24.103 1.00 0.00 H new ATOM 0 HA ASP B 61 8.979 18.561 -24.059 1.00 0.00 H new ATOM 0 HB2 ASP B 61 7.605 18.996 -26.146 1.00 0.00 H new ATOM 0 HB3 ASP B 61 7.887 20.709 -25.902 1.00 0.00 H new ATOM 2488 N GLU B 62 9.279 20.567 -22.254 1.00 0.00 N ATOM 2489 CA GLU B 62 9.951 21.652 -21.502 1.00 0.00 C ATOM 2490 C GLU B 62 11.368 21.803 -22.045 1.00 0.00 C ATOM 2491 O GLU B 62 11.885 22.895 -22.184 1.00 0.00 O ATOM 2492 CB GLU B 62 10.004 21.270 -20.023 1.00 0.00 C ATOM 2493 CG GLU B 62 8.606 20.845 -19.559 1.00 0.00 C ATOM 2494 CD GLU B 62 8.655 20.465 -18.078 1.00 0.00 C ATOM 2495 OE1 GLU B 62 9.749 20.364 -17.549 1.00 0.00 O ATOM 2496 OE2 GLU B 62 7.597 20.284 -17.499 1.00 0.00 O ATOM 0 H GLU B 62 8.963 19.782 -21.685 1.00 0.00 H new ATOM 0 HA GLU B 62 9.409 22.591 -21.612 1.00 0.00 H new ATOM 0 HB2 GLU B 62 10.713 20.456 -19.871 1.00 0.00 H new ATOM 0 HB3 GLU B 62 10.356 22.114 -19.430 1.00 0.00 H new ATOM 0 HG2 GLU B 62 7.897 21.658 -19.714 1.00 0.00 H new ATOM 0 HG3 GLU B 62 8.256 20.000 -20.151 1.00 0.00 H new ATOM 2503 N ASP B 63 11.994 20.706 -22.364 1.00 0.00 N ATOM 2504 CA ASP B 63 13.374 20.763 -22.912 1.00 0.00 C ATOM 2505 C ASP B 63 13.307 21.272 -24.353 1.00 0.00 C ATOM 2506 O ASP B 63 14.308 21.601 -24.957 1.00 0.00 O ATOM 2507 CB ASP B 63 13.979 19.357 -22.904 1.00 0.00 C ATOM 2508 CG ASP B 63 13.812 18.728 -21.518 1.00 0.00 C ATOM 2509 OD1 ASP B 63 13.034 19.254 -20.738 1.00 0.00 O ATOM 2510 OD2 ASP B 63 14.463 17.729 -21.261 1.00 0.00 O ATOM 0 H ASP B 63 11.606 19.768 -22.268 1.00 0.00 H new ATOM 0 HA ASP B 63 13.989 21.428 -22.307 1.00 0.00 H new ATOM 0 HB2 ASP B 63 13.491 18.737 -23.656 1.00 0.00 H new ATOM 0 HB3 ASP B 63 15.036 19.404 -23.167 1.00 0.00 H new ATOM 2515 N GLY B 64 12.124 21.342 -24.903 1.00 0.00 N ATOM 2516 CA GLY B 64 11.979 21.834 -26.306 1.00 0.00 C ATOM 2517 C GLY B 64 12.765 20.926 -27.257 1.00 0.00 C ATOM 2518 O GLY B 64 13.233 21.360 -28.291 1.00 0.00 O ATOM 0 H GLY B 64 11.252 21.080 -24.443 1.00 0.00 H new ATOM 0 HA2 GLY B 64 10.927 21.849 -26.589 1.00 0.00 H new ATOM 0 HA3 GLY B 64 12.344 22.858 -26.382 1.00 0.00 H new ATOM 2522 N ASP B 65 12.918 19.669 -26.916 1.00 0.00 N ATOM 2523 CA ASP B 65 13.681 18.723 -27.795 1.00 0.00 C ATOM 2524 C ASP B 65 12.716 17.758 -28.487 1.00 0.00 C ATOM 2525 O ASP B 65 13.129 16.837 -29.164 1.00 0.00 O ATOM 2526 CB ASP B 65 14.661 17.926 -26.934 1.00 0.00 C ATOM 2527 CG ASP B 65 13.879 17.143 -25.883 1.00 0.00 C ATOM 2528 OD1 ASP B 65 12.712 17.446 -25.702 1.00 0.00 O ATOM 2529 OD2 ASP B 65 14.459 16.260 -25.272 1.00 0.00 O ATOM 0 H ASP B 65 12.545 19.254 -26.062 1.00 0.00 H new ATOM 0 HA ASP B 65 14.223 19.290 -28.553 1.00 0.00 H new ATOM 0 HB2 ASP B 65 15.241 17.244 -27.557 1.00 0.00 H new ATOM 0 HB3 ASP B 65 15.370 18.598 -26.451 1.00 0.00 H new ATOM 2534 N GLY B 66 11.438 17.945 -28.314 1.00 0.00 N ATOM 2535 CA GLY B 66 10.464 17.016 -28.953 1.00 0.00 C ATOM 2536 C GLY B 66 10.398 15.736 -28.121 1.00 0.00 C ATOM 2537 O GLY B 66 9.706 14.793 -28.453 1.00 0.00 O ATOM 0 H GLY B 66 11.027 18.697 -27.761 1.00 0.00 H new ATOM 0 HA2 GLY B 66 9.480 17.481 -29.012 1.00 0.00 H new ATOM 0 HA3 GLY B 66 10.771 16.789 -29.974 1.00 0.00 H new ATOM 2541 N GLU B 67 11.125 15.708 -27.036 1.00 0.00 N ATOM 2542 CA GLU B 67 11.143 14.513 -26.144 1.00 0.00 C ATOM 2543 C GLU B 67 11.056 14.980 -24.689 1.00 0.00 C ATOM 2544 O GLU B 67 11.779 15.859 -24.267 1.00 0.00 O ATOM 2545 CB GLU B 67 12.458 13.755 -26.337 1.00 0.00 C ATOM 2546 CG GLU B 67 12.717 13.544 -27.828 1.00 0.00 C ATOM 2547 CD GLU B 67 13.955 12.668 -28.010 1.00 0.00 C ATOM 2548 OE1 GLU B 67 15.051 13.190 -27.887 1.00 0.00 O ATOM 2549 OE2 GLU B 67 13.787 11.487 -28.265 1.00 0.00 O ATOM 0 H GLU B 67 11.718 16.478 -26.725 1.00 0.00 H new ATOM 0 HA GLU B 67 10.302 13.863 -26.385 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.280 14.314 -25.891 1.00 0.00 H new ATOM 0 HB3 GLU B 67 12.413 12.793 -25.826 1.00 0.00 H new ATOM 0 HG2 GLU B 67 11.853 13.072 -28.295 1.00 0.00 H new ATOM 0 HG3 GLU B 67 12.862 14.505 -28.322 1.00 0.00 H new ATOM 2556 N CYS B 68 10.197 14.383 -23.910 1.00 0.00 N ATOM 2557 CA CYS B 68 10.078 14.771 -22.473 1.00 0.00 C ATOM 2558 C CYS B 68 10.895 13.769 -21.652 1.00 0.00 C ATOM 2559 O CYS B 68 10.783 12.574 -21.818 1.00 0.00 O ATOM 2560 CB CYS B 68 8.593 14.757 -22.054 1.00 0.00 C ATOM 2561 SG CYS B 68 7.679 13.607 -23.110 1.00 0.00 S ATOM 0 H CYS B 68 9.567 13.638 -24.208 1.00 0.00 H new ATOM 0 HA CYS B 68 10.459 15.778 -22.304 1.00 0.00 H new ATOM 0 HB2 CYS B 68 8.502 14.459 -21.009 1.00 0.00 H new ATOM 0 HB3 CYS B 68 8.171 15.758 -22.138 1.00 0.00 H new ATOM 0 HG CYS B 68 8.384 12.530 -23.290 1.00 0.00 H new ATOM 2567 N ASP B 69 11.733 14.255 -20.788 1.00 0.00 N ATOM 2568 CA ASP B 69 12.584 13.346 -19.972 1.00 0.00 C ATOM 2569 C ASP B 69 11.709 12.598 -18.974 1.00 0.00 C ATOM 2570 O ASP B 69 10.577 12.967 -18.732 1.00 0.00 O ATOM 2571 CB ASP B 69 13.630 14.167 -19.215 1.00 0.00 C ATOM 2572 CG ASP B 69 14.658 14.721 -20.203 1.00 0.00 C ATOM 2573 OD1 ASP B 69 14.849 14.102 -21.237 1.00 0.00 O ATOM 2574 OD2 ASP B 69 15.232 15.758 -19.912 1.00 0.00 O ATOM 0 H ASP B 69 11.868 15.250 -20.608 1.00 0.00 H new ATOM 0 HA ASP B 69 13.086 12.633 -20.626 1.00 0.00 H new ATOM 0 HB2 ASP B 69 13.148 14.985 -18.679 1.00 0.00 H new ATOM 0 HB3 ASP B 69 14.125 13.545 -18.469 1.00 0.00 H new ATOM 2579 N PHE B 70 12.220 11.549 -18.386 1.00 0.00 N ATOM 2580 CA PHE B 70 11.415 10.789 -17.404 1.00 0.00 C ATOM 2581 C PHE B 70 10.809 11.781 -16.407 1.00 0.00 C ATOM 2582 O PHE B 70 9.672 11.663 -16.023 1.00 0.00 O ATOM 2583 CB PHE B 70 12.332 9.781 -16.693 1.00 0.00 C ATOM 2584 CG PHE B 70 11.713 9.320 -15.392 1.00 0.00 C ATOM 2585 CD1 PHE B 70 10.375 8.916 -15.354 1.00 0.00 C ATOM 2586 CD2 PHE B 70 12.483 9.293 -14.226 1.00 0.00 C ATOM 2587 CE1 PHE B 70 9.807 8.488 -14.153 1.00 0.00 C ATOM 2588 CE2 PHE B 70 11.916 8.867 -13.026 1.00 0.00 C ATOM 2589 CZ PHE B 70 10.577 8.463 -12.986 1.00 0.00 C ATOM 0 H PHE B 70 13.161 11.191 -18.548 1.00 0.00 H new ATOM 0 HA PHE B 70 10.608 10.242 -17.891 1.00 0.00 H new ATOM 0 HB2 PHE B 70 12.509 8.923 -17.341 1.00 0.00 H new ATOM 0 HB3 PHE B 70 13.302 10.239 -16.498 1.00 0.00 H new ATOM 0 HD1 PHE B 70 9.780 8.935 -16.255 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.517 9.602 -14.255 1.00 0.00 H new ATOM 0 HE1 PHE B 70 8.773 8.176 -14.125 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.511 8.849 -12.125 1.00 0.00 H new ATOM 0 HZ PHE B 70 10.139 8.133 -12.056 1.00 0.00 H new ATOM 2599 N GLN B 71 11.561 12.767 -16.010 1.00 0.00 N ATOM 2600 CA GLN B 71 11.029 13.787 -15.059 1.00 0.00 C ATOM 2601 C GLN B 71 9.840 14.530 -15.681 1.00 0.00 C ATOM 2602 O GLN B 71 8.826 14.742 -15.048 1.00 0.00 O ATOM 2603 CB GLN B 71 12.144 14.796 -14.739 1.00 0.00 C ATOM 2604 CG GLN B 71 11.551 16.046 -14.075 1.00 0.00 C ATOM 2605 CD GLN B 71 12.669 16.880 -13.447 1.00 0.00 C ATOM 2606 OE1 GLN B 71 13.746 16.381 -13.191 1.00 0.00 O ATOM 2607 NE2 GLN B 71 12.456 18.141 -13.187 1.00 0.00 N ATOM 0 H GLN B 71 12.527 12.913 -16.303 1.00 0.00 H new ATOM 0 HA GLN B 71 10.695 13.288 -14.149 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.880 14.338 -14.078 1.00 0.00 H new ATOM 0 HB3 GLN B 71 12.667 15.074 -15.654 1.00 0.00 H new ATOM 0 HG2 GLN B 71 11.013 16.640 -14.813 1.00 0.00 H new ATOM 0 HG3 GLN B 71 10.829 15.756 -13.312 1.00 0.00 H new ATOM 0 HE21 GLN B 71 11.551 18.560 -13.402 1.00 0.00 H new ATOM 0 HE22 GLN B 71 13.194 18.707 -12.769 1.00 0.00 H new ATOM 2616 N GLU B 72 9.976 14.958 -16.901 1.00 0.00 N ATOM 2617 CA GLU B 72 8.880 15.726 -17.550 1.00 0.00 C ATOM 2618 C GLU B 72 7.601 14.889 -17.617 1.00 0.00 C ATOM 2619 O GLU B 72 6.509 15.384 -17.397 1.00 0.00 O ATOM 2620 CB GLU B 72 9.334 16.112 -18.960 1.00 0.00 C ATOM 2621 CG GLU B 72 10.295 17.301 -18.894 1.00 0.00 C ATOM 2622 CD GLU B 72 10.771 17.649 -20.307 1.00 0.00 C ATOM 2623 OE1 GLU B 72 10.114 18.447 -20.953 1.00 0.00 O ATOM 2624 OE2 GLU B 72 11.785 17.110 -20.720 1.00 0.00 O ATOM 0 H GLU B 72 10.802 14.809 -17.480 1.00 0.00 H new ATOM 0 HA GLU B 72 8.662 16.621 -16.967 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.824 15.264 -19.438 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.469 16.367 -19.572 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.798 18.160 -18.444 1.00 0.00 H new ATOM 0 HG3 GLU B 72 11.148 17.059 -18.260 1.00 0.00 H new ATOM 2631 N PHE B 73 7.719 13.633 -17.908 1.00 0.00 N ATOM 2632 CA PHE B 73 6.506 12.776 -17.978 1.00 0.00 C ATOM 2633 C PHE B 73 5.921 12.623 -16.570 1.00 0.00 C ATOM 2634 O PHE B 73 4.724 12.554 -16.382 1.00 0.00 O ATOM 2635 CB PHE B 73 6.883 11.400 -18.551 1.00 0.00 C ATOM 2636 CG PHE B 73 5.789 10.401 -18.239 1.00 0.00 C ATOM 2637 CD1 PHE B 73 4.487 10.636 -18.690 1.00 0.00 C ATOM 2638 CD2 PHE B 73 6.072 9.260 -17.476 1.00 0.00 C ATOM 2639 CE1 PHE B 73 3.468 9.730 -18.383 1.00 0.00 C ATOM 2640 CE2 PHE B 73 5.051 8.355 -17.167 1.00 0.00 C ATOM 2641 CZ PHE B 73 3.750 8.590 -17.621 1.00 0.00 C ATOM 0 H PHE B 73 8.601 13.158 -18.101 1.00 0.00 H new ATOM 0 HA PHE B 73 5.761 13.235 -18.628 1.00 0.00 H new ATOM 0 HB2 PHE B 73 7.027 11.471 -19.629 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.828 11.064 -18.124 1.00 0.00 H new ATOM 0 HD1 PHE B 73 4.269 11.517 -19.275 1.00 0.00 H new ATOM 0 HD2 PHE B 73 7.078 9.079 -17.127 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.462 9.909 -18.734 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.268 7.476 -16.578 1.00 0.00 H new ATOM 0 HZ PHE B 73 2.961 7.891 -17.384 1.00 0.00 H new ATOM 2651 N MET B 74 6.771 12.548 -15.593 1.00 0.00 N ATOM 2652 CA MET B 74 6.307 12.373 -14.192 1.00 0.00 C ATOM 2653 C MET B 74 5.410 13.537 -13.770 1.00 0.00 C ATOM 2654 O MET B 74 4.433 13.361 -13.062 1.00 0.00 O ATOM 2655 CB MET B 74 7.521 12.279 -13.261 1.00 0.00 C ATOM 2656 CG MET B 74 8.160 10.889 -13.382 1.00 0.00 C ATOM 2657 SD MET B 74 7.049 9.642 -12.678 1.00 0.00 S ATOM 2658 CE MET B 74 7.113 10.196 -10.957 1.00 0.00 C ATOM 0 H MET B 74 7.783 12.601 -15.705 1.00 0.00 H new ATOM 0 HA MET B 74 5.725 11.454 -14.125 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.249 13.048 -13.519 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.216 12.461 -12.231 1.00 0.00 H new ATOM 0 HG2 MET B 74 8.362 10.661 -14.429 1.00 0.00 H new ATOM 0 HG3 MET B 74 9.118 10.872 -12.862 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.902 9.355 -10.296 1.00 0.00 H new ATOM 0 HE2 MET B 74 8.106 10.589 -10.738 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.370 10.978 -10.799 1.00 0.00 H new ATOM 2668 N ALA B 75 5.739 14.731 -14.161 1.00 0.00 N ATOM 2669 CA ALA B 75 4.901 15.880 -13.735 1.00 0.00 C ATOM 2670 C ALA B 75 3.520 15.822 -14.393 1.00 0.00 C ATOM 2671 O ALA B 75 2.537 16.243 -13.820 1.00 0.00 O ATOM 2672 CB ALA B 75 5.597 17.198 -14.091 1.00 0.00 C ATOM 0 H ALA B 75 6.540 14.961 -14.749 1.00 0.00 H new ATOM 0 HA ALA B 75 4.768 15.825 -12.655 1.00 0.00 H new ATOM 0 HB1 ALA B 75 4.975 18.035 -13.775 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.560 17.250 -13.583 1.00 0.00 H new ATOM 0 HB3 ALA B 75 5.752 17.248 -15.169 1.00 0.00 H new ATOM 2678 N PHE B 76 3.430 15.314 -15.582 1.00 0.00 N ATOM 2679 CA PHE B 76 2.097 15.245 -16.254 1.00 0.00 C ATOM 2680 C PHE B 76 1.155 14.374 -15.438 1.00 0.00 C ATOM 2681 O PHE B 76 -0.018 14.636 -15.335 1.00 0.00 O ATOM 2682 CB PHE B 76 2.257 14.647 -17.647 1.00 0.00 C ATOM 2683 CG PHE B 76 1.008 14.908 -18.458 1.00 0.00 C ATOM 2684 CD1 PHE B 76 0.732 16.204 -18.911 1.00 0.00 C ATOM 2685 CD2 PHE B 76 0.123 13.862 -18.750 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -0.426 16.455 -19.657 1.00 0.00 C ATOM 2687 CE2 PHE B 76 -1.036 14.113 -19.495 1.00 0.00 C ATOM 2688 CZ PHE B 76 -1.310 15.409 -19.948 1.00 0.00 C ATOM 0 H PHE B 76 4.212 14.943 -16.122 1.00 0.00 H new ATOM 0 HA PHE B 76 1.684 16.251 -16.333 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.123 15.084 -18.144 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.438 13.575 -17.575 1.00 0.00 H new ATOM 0 HD1 PHE B 76 1.413 17.011 -18.685 1.00 0.00 H new ATOM 0 HD2 PHE B 76 0.334 12.862 -18.401 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -0.637 17.454 -20.008 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -1.718 13.307 -19.720 1.00 0.00 H new ATOM 0 HZ PHE B 76 -2.204 15.602 -20.522 1.00 0.00 H new ATOM 2698 N VAL B 77 1.670 13.329 -14.884 1.00 0.00 N ATOM 2699 CA VAL B 77 0.834 12.393 -14.079 1.00 0.00 C ATOM 2700 C VAL B 77 0.222 13.128 -12.890 1.00 0.00 C ATOM 2701 O VAL B 77 -0.896 12.877 -12.507 1.00 0.00 O ATOM 2702 CB VAL B 77 1.710 11.235 -13.573 1.00 0.00 C ATOM 2703 CG1 VAL B 77 0.863 9.969 -13.406 1.00 0.00 C ATOM 2704 CG2 VAL B 77 2.827 10.983 -14.583 1.00 0.00 C ATOM 0 H VAL B 77 2.654 13.070 -14.951 1.00 0.00 H new ATOM 0 HA VAL B 77 0.032 12.001 -14.704 1.00 0.00 H new ATOM 0 HB VAL B 77 2.139 11.496 -12.606 1.00 0.00 H new ATOM 0 HG11 VAL B 77 1.493 9.155 -13.047 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.067 10.156 -12.686 1.00 0.00 H new ATOM 0 HG13 VAL B 77 0.426 9.694 -14.366 1.00 0.00 H new ATOM 0 HG21 VAL B 77 3.455 10.163 -14.234 1.00 0.00 H new ATOM 0 HG22 VAL B 77 2.393 10.722 -15.548 1.00 0.00 H new ATOM 0 HG23 VAL B 77 3.432 11.884 -14.689 1.00 0.00 H new ATOM 2714 N SER B 78 0.955 14.015 -12.291 1.00 0.00 N ATOM 2715 CA SER B 78 0.407 14.745 -11.115 1.00 0.00 C ATOM 2716 C SER B 78 -0.819 15.549 -11.542 1.00 0.00 C ATOM 2717 O SER B 78 -1.799 15.643 -10.829 1.00 0.00 O ATOM 2718 CB SER B 78 1.472 15.696 -10.564 1.00 0.00 C ATOM 2719 OG SER B 78 1.869 16.598 -11.587 1.00 0.00 O ATOM 0 H SER B 78 1.906 14.268 -12.560 1.00 0.00 H new ATOM 0 HA SER B 78 0.123 14.030 -10.343 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.078 16.247 -9.710 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.333 15.130 -10.208 1.00 0.00 H new ATOM 0 HG SER B 78 2.415 16.123 -12.248 1.00 0.00 H new ATOM 2725 N MET B 79 -0.758 16.145 -12.698 1.00 0.00 N ATOM 2726 CA MET B 79 -1.901 16.969 -13.183 1.00 0.00 C ATOM 2727 C MET B 79 -3.112 16.104 -13.546 1.00 0.00 C ATOM 2728 O MET B 79 -4.238 16.410 -13.197 1.00 0.00 O ATOM 2729 CB MET B 79 -1.457 17.713 -14.439 1.00 0.00 C ATOM 2730 CG MET B 79 -0.439 18.798 -14.092 1.00 0.00 C ATOM 2731 SD MET B 79 0.444 19.312 -15.596 1.00 0.00 S ATOM 2732 CE MET B 79 -0.959 19.357 -16.751 1.00 0.00 C ATOM 0 H MET B 79 0.039 16.097 -13.333 1.00 0.00 H new ATOM 0 HA MET B 79 -2.191 17.653 -12.385 1.00 0.00 H new ATOM 0 HB2 MET B 79 -1.020 17.010 -15.148 1.00 0.00 H new ATOM 0 HB3 MET B 79 -2.322 18.162 -14.927 1.00 0.00 H new ATOM 0 HG2 MET B 79 -0.944 19.654 -13.644 1.00 0.00 H new ATOM 0 HG3 MET B 79 0.269 18.423 -13.353 1.00 0.00 H new ATOM 0 HE1 MET B 79 -0.737 20.045 -17.566 1.00 0.00 H new ATOM 0 HE2 MET B 79 -1.130 18.359 -17.155 1.00 0.00 H new ATOM 0 HE3 MET B 79 -1.852 19.694 -16.225 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.894 15.048 -14.269 1.00 0.00 N ATOM 2743 CA VAL B 80 -4.035 14.186 -14.688 1.00 0.00 C ATOM 2744 C VAL B 80 -4.716 13.588 -13.463 1.00 0.00 C ATOM 2745 O VAL B 80 -5.922 13.443 -13.414 1.00 0.00 O ATOM 2746 CB VAL B 80 -3.538 13.066 -15.602 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -4.720 12.178 -15.999 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -2.918 13.676 -16.862 1.00 0.00 C ATOM 0 H VAL B 80 -1.976 14.741 -14.590 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.755 14.797 -15.233 1.00 0.00 H new ATOM 0 HB VAL B 80 -2.790 12.471 -15.079 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -4.371 11.377 -16.651 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.168 11.747 -15.104 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.464 12.776 -16.525 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -2.563 12.879 -17.515 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -3.668 14.268 -17.387 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -2.081 14.316 -16.582 1.00 0.00 H new ATOM 2758 N THR B 81 -3.950 13.230 -12.482 1.00 0.00 N ATOM 2759 CA THR B 81 -4.538 12.625 -11.259 1.00 0.00 C ATOM 2760 C THR B 81 -5.501 13.626 -10.646 1.00 0.00 C ATOM 2761 O THR B 81 -6.561 13.282 -10.166 1.00 0.00 O ATOM 2762 CB THR B 81 -3.436 12.302 -10.252 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.504 11.416 -10.847 1.00 0.00 O ATOM 2764 CG2 THR B 81 -4.048 11.637 -9.010 1.00 0.00 C ATOM 0 H THR B 81 -2.935 13.330 -12.471 1.00 0.00 H new ATOM 0 HA THR B 81 -5.059 11.703 -11.518 1.00 0.00 H new ATOM 0 HB THR B 81 -2.933 13.223 -9.958 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.895 11.922 -11.425 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.259 11.408 -8.294 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.768 12.315 -8.552 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.552 10.715 -9.302 1.00 0.00 H new ATOM 2772 N THR B 82 -5.129 14.868 -10.657 1.00 0.00 N ATOM 2773 CA THR B 82 -6.003 15.910 -10.077 1.00 0.00 C ATOM 2774 C THR B 82 -7.394 15.774 -10.705 1.00 0.00 C ATOM 2775 O THR B 82 -8.406 15.891 -10.040 1.00 0.00 O ATOM 2776 CB THR B 82 -5.404 17.284 -10.403 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.988 17.212 -10.305 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.920 18.317 -9.412 1.00 0.00 C ATOM 0 H THR B 82 -4.250 15.208 -11.046 1.00 0.00 H new ATOM 0 HA THR B 82 -6.082 15.801 -8.995 1.00 0.00 H new ATOM 0 HB THR B 82 -5.693 17.574 -11.413 1.00 0.00 H new ATOM 0 HG1 THR B 82 -3.601 18.088 -10.514 1.00 0.00 H new ATOM 0 HG21 THR B 82 -5.492 19.292 -9.647 1.00 0.00 H new ATOM 0 HG22 THR B 82 -7.007 18.372 -9.477 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.631 18.028 -8.402 1.00 0.00 H new ATOM 2786 N ALA B 83 -7.447 15.491 -11.977 1.00 0.00 N ATOM 2787 CA ALA B 83 -8.765 15.305 -12.644 1.00 0.00 C ATOM 2788 C ALA B 83 -9.494 14.146 -11.959 1.00 0.00 C ATOM 2789 O ALA B 83 -10.689 14.185 -11.745 1.00 0.00 O ATOM 2790 CB ALA B 83 -8.549 14.975 -14.123 1.00 0.00 C ATOM 0 H ALA B 83 -6.634 15.381 -12.583 1.00 0.00 H new ATOM 0 HA ALA B 83 -9.357 16.217 -12.568 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -9.515 14.839 -14.610 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -8.012 15.793 -14.604 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.966 14.058 -14.210 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.771 13.111 -11.618 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.399 11.937 -10.949 1.00 0.00 C ATOM 2798 C CYS B 84 -10.045 12.379 -9.635 1.00 0.00 C ATOM 2799 O CYS B 84 -11.055 11.847 -9.227 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.332 10.880 -10.653 1.00 0.00 C ATOM 2801 SG CYS B 84 -7.391 10.538 -12.159 1.00 0.00 S ATOM 0 H CYS B 84 -7.767 13.030 -11.776 1.00 0.00 H new ATOM 0 HA CYS B 84 -10.158 11.515 -11.607 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.665 11.231 -9.866 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -8.801 9.966 -10.289 1.00 0.00 H new ATOM 0 HG CYS B 84 -6.861 11.640 -12.599 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.480 13.349 -8.966 1.00 0.00 N ATOM 2808 CA HIS B 85 -10.088 13.804 -7.685 1.00 0.00 C ATOM 2809 C HIS B 85 -11.508 14.297 -7.961 1.00 0.00 C ATOM 2810 O HIS B 85 -12.425 14.037 -7.208 1.00 0.00 O ATOM 2811 CB HIS B 85 -9.245 14.942 -7.109 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.862 15.443 -5.833 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -10.748 16.510 -5.811 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -9.724 15.043 -4.529 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -11.105 16.713 -4.529 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -10.509 15.846 -3.712 1.00 0.00 N ATOM 0 H HIS B 85 -8.632 13.841 -9.249 1.00 0.00 H new ATOM 0 HA HIS B 85 -10.121 12.983 -6.969 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -8.230 14.594 -6.920 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -9.174 15.755 -7.832 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -9.101 14.229 -4.189 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -11.789 17.483 -4.204 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -10.608 15.785 -2.699 1.00 0.00 H new ATOM 2825 N GLU B 86 -11.697 14.990 -9.048 1.00 0.00 N ATOM 2826 CA GLU B 86 -13.062 15.479 -9.393 1.00 0.00 C ATOM 2827 C GLU B 86 -14.010 14.289 -9.564 1.00 0.00 C ATOM 2828 O GLU B 86 -15.169 14.350 -9.208 1.00 0.00 O ATOM 2829 CB GLU B 86 -13.007 16.283 -10.694 1.00 0.00 C ATOM 2830 CG GLU B 86 -12.293 17.613 -10.448 1.00 0.00 C ATOM 2831 CD GLU B 86 -12.240 18.413 -11.750 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -12.569 17.851 -12.782 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -11.872 19.575 -11.693 1.00 0.00 O ATOM 0 H GLU B 86 -10.965 15.240 -9.714 1.00 0.00 H new ATOM 0 HA GLU B 86 -13.428 16.117 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -12.483 15.714 -11.462 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -14.016 16.464 -11.064 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -12.817 18.182 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -11.284 17.433 -10.078 1.00 0.00 H new ATOM 2840 N PHE B 87 -13.531 13.214 -10.133 1.00 0.00 N ATOM 2841 CA PHE B 87 -14.402 12.015 -10.356 1.00 0.00 C ATOM 2842 C PHE B 87 -14.264 11.022 -9.198 1.00 0.00 C ATOM 2843 O PHE B 87 -15.118 10.183 -8.990 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.999 11.333 -11.666 1.00 0.00 C ATOM 2845 CG PHE B 87 -14.862 10.112 -11.892 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -16.080 10.231 -12.573 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -14.439 8.859 -11.430 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -16.876 9.098 -12.791 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -15.236 7.726 -11.648 1.00 0.00 C ATOM 2850 CZ PHE B 87 -16.453 7.847 -12.328 1.00 0.00 C ATOM 0 H PHE B 87 -12.569 13.112 -10.456 1.00 0.00 H new ATOM 0 HA PHE B 87 -15.441 12.341 -10.411 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -14.111 12.028 -12.498 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -12.948 11.046 -11.629 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -16.406 11.197 -12.930 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -13.499 8.766 -10.906 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -17.815 9.190 -13.316 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -14.911 6.760 -11.291 1.00 0.00 H new ATOM 0 HZ PHE B 87 -17.066 6.974 -12.496 1.00 0.00 H new ATOM 2860 N PHE B 88 -13.191 11.084 -8.458 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.004 10.115 -7.340 1.00 0.00 C ATOM 2862 C PHE B 88 -13.815 10.551 -6.115 1.00 0.00 C ATOM 2863 O PHE B 88 -13.953 9.808 -5.164 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.520 10.044 -6.963 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.296 8.872 -6.033 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -11.508 9.020 -4.657 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -10.891 7.632 -6.550 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -11.315 7.931 -3.798 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -10.701 6.544 -5.689 1.00 0.00 C ATOM 2870 CZ PHE B 88 -10.913 6.694 -4.313 1.00 0.00 C ATOM 0 H PHE B 88 -12.438 11.761 -8.578 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.350 9.134 -7.666 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -10.910 9.933 -7.860 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.211 10.971 -6.480 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -11.820 9.974 -4.258 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.726 7.517 -7.611 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -11.477 8.046 -2.736 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.391 5.589 -6.086 1.00 0.00 H new ATOM 0 HZ PHE B 88 -10.766 5.855 -3.649 1.00 0.00 H new ATOM 3114 N ARG X 104 21.054 19.458 4.506 1.00 0.00 N ATOM 3115 CA ARG X 104 20.393 18.252 3.946 1.00 0.00 C ATOM 3116 C ARG X 104 19.283 18.674 2.970 1.00 0.00 C ATOM 3117 O ARG X 104 19.083 18.056 1.938 1.00 0.00 O ATOM 3118 CB ARG X 104 19.799 17.435 5.100 1.00 0.00 C ATOM 3119 CG ARG X 104 20.940 16.810 5.912 1.00 0.00 C ATOM 3120 CD ARG X 104 20.376 16.165 7.180 1.00 0.00 C ATOM 3121 NE ARG X 104 21.462 15.421 7.882 1.00 0.00 N ATOM 3122 CZ ARG X 104 21.285 15.010 9.109 1.00 0.00 C ATOM 3123 NH1 ARG X 104 20.151 15.233 9.712 1.00 0.00 N ATOM 3124 NH2 ARG X 104 22.240 14.371 9.730 1.00 0.00 N ATOM 0 HA ARG X 104 21.120 17.646 3.405 1.00 0.00 H new ATOM 0 HB2 ARG X 104 19.189 18.074 5.739 1.00 0.00 H new ATOM 0 HB3 ARG X 104 19.144 16.656 4.711 1.00 0.00 H new ATOM 0 HG2 ARG X 104 21.459 16.063 5.312 1.00 0.00 H new ATOM 0 HG3 ARG X 104 21.673 17.573 6.175 1.00 0.00 H new ATOM 0 HD2 ARG X 104 19.961 16.930 7.836 1.00 0.00 H new ATOM 0 HD3 ARG X 104 19.561 15.487 6.925 1.00 0.00 H new ATOM 0 HE ARG X 104 22.343 15.233 7.404 1.00 0.00 H new ATOM 0 HH11 ARG X 104 19.403 15.728 9.226 1.00 0.00 H new ATOM 0 HH12 ARG X 104 20.011 14.913 10.670 1.00 0.00 H new ATOM 0 HH21 ARG X 104 23.126 14.192 9.257 1.00 0.00 H new ATOM 0 HH22 ARG X 104 22.100 14.051 10.688 1.00 0.00 H new ATOM 3138 N HIS X 105 18.559 19.721 3.270 1.00 0.00 N ATOM 3139 CA HIS X 105 17.477 20.152 2.336 1.00 0.00 C ATOM 3140 C HIS X 105 18.097 20.452 0.967 1.00 0.00 C ATOM 3141 O HIS X 105 17.515 20.178 -0.063 1.00 0.00 O ATOM 3142 CB HIS X 105 16.770 21.406 2.878 1.00 0.00 C ATOM 3143 CG HIS X 105 17.652 22.618 2.718 1.00 0.00 C ATOM 3144 ND1 HIS X 105 18.209 23.282 3.802 1.00 0.00 N ATOM 3145 CD2 HIS X 105 18.078 23.297 1.603 1.00 0.00 C ATOM 3146 CE1 HIS X 105 18.931 24.311 3.319 1.00 0.00 C ATOM 3147 NE2 HIS X 105 18.883 24.361 1.987 1.00 0.00 N ATOM 0 H HIS X 105 18.668 20.290 4.110 1.00 0.00 H new ATOM 0 HA HIS X 105 16.739 19.356 2.243 1.00 0.00 H new ATOM 0 HB2 HIS X 105 15.831 21.560 2.347 1.00 0.00 H new ATOM 0 HB3 HIS X 105 16.522 21.265 3.930 1.00 0.00 H new ATOM 0 HD2 HIS X 105 17.826 23.043 0.584 1.00 0.00 H new ATOM 0 HE1 HIS X 105 19.480 25.009 3.934 1.00 0.00 H new ATOM 0 HE2 HIS X 105 19.342 25.039 1.378 1.00 0.00 H new ATOM 3156 N LYS X 106 19.284 20.999 0.952 1.00 0.00 N ATOM 3157 CA LYS X 106 19.953 21.300 -0.346 1.00 0.00 C ATOM 3158 C LYS X 106 20.114 19.980 -1.104 1.00 0.00 C ATOM 3159 O LYS X 106 20.147 19.938 -2.323 1.00 0.00 O ATOM 3160 CB LYS X 106 21.331 21.928 -0.076 1.00 0.00 C ATOM 3161 CG LYS X 106 22.048 22.284 -1.392 1.00 0.00 C ATOM 3162 CD LYS X 106 21.395 23.507 -2.052 1.00 0.00 C ATOM 3163 CE LYS X 106 22.331 24.056 -3.132 1.00 0.00 C ATOM 3164 NZ LYS X 106 21.726 25.270 -3.748 1.00 0.00 N ATOM 0 H LYS X 106 19.819 21.250 1.784 1.00 0.00 H new ATOM 0 HA LYS X 106 19.362 22.002 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS X 106 21.212 22.826 0.531 1.00 0.00 H new ATOM 0 HB3 LYS X 106 21.944 21.234 0.499 1.00 0.00 H new ATOM 0 HG2 LYS X 106 23.100 22.489 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS X 106 22.012 21.434 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS X 106 20.437 23.230 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS X 106 21.193 24.274 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS X 106 23.300 24.301 -2.697 1.00 0.00 H new ATOM 0 HE3 LYS X 106 22.506 23.298 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 22.363 25.641 -4.481 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 20.811 25.023 -4.177 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 21.580 25.995 -3.016 1.00 0.00 H new ATOM 3178 N LYS X 107 20.214 18.891 -0.392 1.00 0.00 N ATOM 3179 CA LYS X 107 20.370 17.587 -1.081 1.00 0.00 C ATOM 3180 C LYS X 107 19.160 17.362 -1.978 1.00 0.00 C ATOM 3181 O LYS X 107 19.295 16.927 -3.099 1.00 0.00 O ATOM 3182 CB LYS X 107 20.451 16.452 -0.059 1.00 0.00 C ATOM 3183 CG LYS X 107 20.822 15.151 -0.782 1.00 0.00 C ATOM 3184 CD LYS X 107 20.826 13.973 0.204 1.00 0.00 C ATOM 3185 CE LYS X 107 22.135 13.950 1.002 1.00 0.00 C ATOM 3186 NZ LYS X 107 23.288 13.880 0.061 1.00 0.00 N ATOM 0 H LYS X 107 20.194 18.851 0.627 1.00 0.00 H new ATOM 0 HA LYS X 107 21.287 17.598 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS X 107 21.195 16.684 0.703 1.00 0.00 H new ATOM 0 HB3 LYS X 107 19.496 16.338 0.453 1.00 0.00 H new ATOM 0 HG2 LYS X 107 20.111 14.959 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS X 107 21.805 15.251 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS X 107 19.979 14.057 0.885 1.00 0.00 H new ATOM 0 HD3 LYS X 107 20.707 13.035 -0.339 1.00 0.00 H new ATOM 0 HE2 LYS X 107 22.211 14.843 1.622 1.00 0.00 H new ATOM 0 HE3 LYS X 107 22.148 13.093 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 24.098 13.435 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 23.023 13.316 -0.771 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 23.549 14.841 -0.241 1.00 0.00 H new ATOM 3200 N LEU X 108 17.978 17.665 -1.506 1.00 0.00 N ATOM 3201 CA LEU X 108 16.776 17.467 -2.372 1.00 0.00 C ATOM 3202 C LEU X 108 16.810 18.487 -3.517 1.00 0.00 C ATOM 3203 O LEU X 108 16.493 18.171 -4.634 1.00 0.00 O ATOM 3204 CB LEU X 108 15.476 17.629 -1.551 1.00 0.00 C ATOM 3205 CG LEU X 108 14.334 16.825 -2.218 1.00 0.00 C ATOM 3206 CD1 LEU X 108 14.371 15.359 -1.757 1.00 0.00 C ATOM 3207 CD2 LEU X 108 12.967 17.431 -1.860 1.00 0.00 C ATOM 0 H LEU X 108 17.794 18.035 -0.574 1.00 0.00 H new ATOM 0 HA LEU X 108 16.792 16.456 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU X 108 15.633 17.279 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU X 108 15.203 18.682 -1.488 1.00 0.00 H new ATOM 0 HG LEU X 108 14.476 16.870 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU X 108 13.562 14.807 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU X 108 15.327 14.914 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU X 108 14.251 15.315 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU X 108 12.176 16.853 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU X 108 12.831 17.408 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU X 108 12.924 18.463 -2.209 1.00 0.00 H new ATOM 3219 N MET X 109 17.201 19.704 -3.252 1.00 0.00 N ATOM 3220 CA MET X 109 17.254 20.734 -4.342 1.00 0.00 C ATOM 3221 C MET X 109 17.844 20.122 -5.622 1.00 0.00 C ATOM 3222 O MET X 109 17.594 20.599 -6.711 1.00 0.00 O ATOM 3223 CB MET X 109 18.094 21.944 -3.896 1.00 0.00 C ATOM 3224 CG MET X 109 17.216 22.924 -3.113 1.00 0.00 C ATOM 3225 SD MET X 109 16.477 22.073 -1.693 1.00 0.00 S ATOM 3226 CE MET X 109 14.842 22.847 -1.769 1.00 0.00 C ATOM 0 H MET X 109 17.487 20.034 -2.330 1.00 0.00 H new ATOM 0 HA MET X 109 16.239 21.073 -4.550 1.00 0.00 H new ATOM 0 HB2 MET X 109 18.926 21.612 -3.276 1.00 0.00 H new ATOM 0 HB3 MET X 109 18.523 22.441 -4.766 1.00 0.00 H new ATOM 0 HG2 MET X 109 17.812 23.771 -2.773 1.00 0.00 H new ATOM 0 HG3 MET X 109 16.434 23.323 -3.758 1.00 0.00 H new ATOM 0 HE1 MET X 109 14.565 23.211 -0.780 1.00 0.00 H new ATOM 0 HE2 MET X 109 14.867 23.682 -2.469 1.00 0.00 H new ATOM 0 HE3 MET X 109 14.108 22.114 -2.104 1.00 0.00 H new ATOM 3236 N PHE X 110 18.628 19.080 -5.501 1.00 0.00 N ATOM 3237 CA PHE X 110 19.233 18.452 -6.725 1.00 0.00 C ATOM 3238 C PHE X 110 18.160 18.334 -7.827 1.00 0.00 C ATOM 3239 O PHE X 110 18.372 18.709 -8.963 1.00 0.00 O ATOM 3240 CB PHE X 110 19.783 17.042 -6.370 1.00 0.00 C ATOM 3241 CG PHE X 110 18.748 15.965 -6.668 1.00 0.00 C ATOM 3242 CD1 PHE X 110 18.614 15.479 -7.975 1.00 0.00 C ATOM 3243 CD2 PHE X 110 17.912 15.477 -5.656 1.00 0.00 C ATOM 3244 CE1 PHE X 110 17.650 14.506 -8.266 1.00 0.00 C ATOM 3245 CE2 PHE X 110 16.947 14.510 -5.949 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.816 14.024 -7.253 1.00 0.00 C ATOM 0 H PHE X 110 18.876 18.637 -4.617 1.00 0.00 H new ATOM 0 HA PHE X 110 20.052 19.074 -7.086 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.691 16.847 -6.940 1.00 0.00 H new ATOM 0 HB3 PHE X 110 20.056 17.008 -5.315 1.00 0.00 H new ATOM 0 HD1 PHE X 110 19.255 15.855 -8.759 1.00 0.00 H new ATOM 0 HD2 PHE X 110 18.013 15.849 -4.647 1.00 0.00 H new ATOM 0 HE1 PHE X 110 17.551 14.128 -9.273 1.00 0.00 H new ATOM 0 HE2 PHE X 110 16.302 14.138 -5.167 1.00 0.00 H new ATOM 0 HZ PHE X 110 16.070 13.276 -7.478 1.00 0.00 H new ATOM 3256 N LYS X 111 17.015 17.809 -7.481 1.00 0.00 N ATOM 3257 CA LYS X 111 15.912 17.650 -8.474 1.00 0.00 C ATOM 3258 C LYS X 111 15.366 19.029 -8.849 1.00 0.00 C ATOM 3259 O LYS X 111 14.959 19.263 -9.969 1.00 0.00 O ATOM 3260 CB LYS X 111 14.786 16.816 -7.842 1.00 0.00 C ATOM 3261 CG LYS X 111 14.659 17.196 -6.355 1.00 0.00 C ATOM 3262 CD LYS X 111 13.231 16.934 -5.801 1.00 0.00 C ATOM 3263 CE LYS X 111 12.702 18.212 -5.130 1.00 0.00 C ATOM 3264 NZ LYS X 111 11.393 17.933 -4.472 1.00 0.00 N ATOM 0 H LYS X 111 16.794 17.480 -6.541 1.00 0.00 H new ATOM 0 HA LYS X 111 16.288 17.150 -9.367 1.00 0.00 H new ATOM 0 HB2 LYS X 111 13.845 17.000 -8.360 1.00 0.00 H new ATOM 0 HB3 LYS X 111 15.003 15.752 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS X 111 15.383 16.625 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS X 111 14.908 18.250 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS X 111 12.565 16.632 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS X 111 13.252 16.115 -5.082 1.00 0.00 H new ATOM 0 HE2 LYS X 111 13.421 18.571 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS X 111 12.585 19.002 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 11.024 18.808 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 10.718 17.578 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 11.524 17.218 -3.729 1.00 0.00 H new ATOM 3278 N THR X 112 15.344 19.939 -7.914 1.00 0.00 N ATOM 3279 CA THR X 112 14.811 21.296 -8.216 1.00 0.00 C ATOM 3280 C THR X 112 15.652 21.910 -9.335 1.00 0.00 C ATOM 3281 O THR X 112 15.141 22.552 -10.231 1.00 0.00 O ATOM 3282 CB THR X 112 14.887 22.172 -6.960 1.00 0.00 C ATOM 3283 OG1 THR X 112 14.126 21.567 -5.923 1.00 0.00 O ATOM 3284 CG2 THR X 112 14.311 23.558 -7.261 1.00 0.00 C ATOM 0 H THR X 112 15.671 19.802 -6.958 1.00 0.00 H new ATOM 0 HA THR X 112 13.770 21.229 -8.531 1.00 0.00 H new ATOM 0 HB THR X 112 15.927 22.271 -6.650 1.00 0.00 H new ATOM 0 HG1 THR X 112 14.172 22.122 -5.117 1.00 0.00 H new ATOM 0 HG21 THR X 112 14.367 24.177 -6.366 1.00 0.00 H new ATOM 0 HG22 THR X 112 14.885 24.025 -8.062 1.00 0.00 H new ATOM 0 HG23 THR X 112 13.270 23.460 -7.570 1.00 0.00 H new ATOM 3292 N GLU X 113 16.940 21.707 -9.292 1.00 0.00 N ATOM 3293 CA GLU X 113 17.825 22.264 -10.354 1.00 0.00 C ATOM 3294 CB GLU X 113 17.538 21.560 -11.685 1.00 0.00 C ATOM 3295 CG GLU X 113 17.849 20.066 -11.556 1.00 0.00 C ATOM 3296 CD GLU X 113 17.599 19.375 -12.899 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.257 20.067 -13.845 1.00 0.00 O ATOM 3298 OE2 GLU X 113 17.761 18.167 -12.962 1.00 0.00 O ATOM 0 H GLU X 113 17.420 21.177 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU X 113 16.494 21.701 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.143 22.000 -12.478 1.00 0.00 H new ATOM 0 HG2 GLU X 113 18.885 19.925 -11.249 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.224 19.619 -10.783 1.00 0.00 H new ATOM 3493 N ARG Y 104 -12.178 16.940 -27.785 1.00 0.00 N ATOM 3494 CA ARG Y 104 -12.095 16.209 -26.493 1.00 0.00 C ATOM 3495 C ARG Y 104 -10.762 16.533 -25.797 1.00 0.00 C ATOM 3496 O ARG Y 104 -10.701 16.681 -24.588 1.00 0.00 O ATOM 3497 CB ARG Y 104 -12.196 14.705 -26.768 1.00 0.00 C ATOM 3498 CG ARG Y 104 -13.624 14.371 -27.216 1.00 0.00 C ATOM 3499 CD ARG Y 104 -13.684 12.923 -27.704 1.00 0.00 C ATOM 3500 NE ARG Y 104 -15.103 12.548 -27.972 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -15.374 11.461 -28.642 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -14.404 10.690 -29.050 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -16.613 11.140 -28.896 1.00 0.00 N ATOM 0 HA ARG Y 104 -12.912 16.515 -25.839 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -11.483 14.415 -27.539 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -11.942 14.141 -25.871 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -14.319 14.515 -26.388 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -13.933 15.047 -28.013 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -13.089 12.808 -28.610 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -13.256 12.257 -26.955 1.00 0.00 H new ATOM 0 HE ARG Y 104 -15.861 13.140 -27.632 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -13.436 10.937 -28.845 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -14.614 9.840 -29.574 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -17.372 11.739 -28.571 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -16.823 10.290 -29.420 1.00 0.00 H new ATOM 3517 N HIS Y 105 -9.691 16.650 -26.538 1.00 0.00 N ATOM 3518 CA HIS Y 105 -8.384 16.966 -25.890 1.00 0.00 C ATOM 3519 C HIS Y 105 -8.516 18.292 -25.133 1.00 0.00 C ATOM 3520 O HIS Y 105 -7.961 18.468 -24.067 1.00 0.00 O ATOM 3521 CB HIS Y 105 -7.276 17.068 -26.954 1.00 0.00 C ATOM 3522 CG HIS Y 105 -7.406 18.355 -27.726 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -7.768 18.387 -29.066 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -7.225 19.666 -27.355 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -7.794 19.678 -29.448 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -7.471 20.494 -28.443 1.00 0.00 N ATOM 0 H HIS Y 105 -9.664 16.542 -27.552 1.00 0.00 H new ATOM 0 HA HIS Y 105 -8.117 16.172 -25.193 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -6.298 17.021 -26.475 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -7.338 16.220 -27.636 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -6.936 20.001 -26.370 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -8.045 20.011 -30.444 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -7.416 21.512 -28.468 1.00 0.00 H new ATOM 3535 N LYS Y 106 -9.262 19.219 -25.671 1.00 0.00 N ATOM 3536 CA LYS Y 106 -9.451 20.527 -24.979 1.00 0.00 C ATOM 3537 C LYS Y 106 -10.091 20.246 -23.617 1.00 0.00 C ATOM 3538 O LYS Y 106 -9.916 20.982 -22.660 1.00 0.00 O ATOM 3539 CB LYS Y 106 -10.373 21.423 -25.823 1.00 0.00 C ATOM 3540 CG LYS Y 106 -10.575 22.799 -25.162 1.00 0.00 C ATOM 3541 CD LYS Y 106 -9.302 23.650 -25.284 1.00 0.00 C ATOM 3542 CE LYS Y 106 -9.640 25.110 -24.965 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -8.418 25.950 -25.111 1.00 0.00 N ATOM 0 H LYS Y 106 -9.750 19.127 -26.562 1.00 0.00 H new ATOM 0 HA LYS Y 106 -8.497 21.038 -24.847 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -9.946 21.554 -26.817 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -11.339 20.934 -25.953 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -11.411 23.316 -25.634 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -10.833 22.669 -24.111 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -8.538 23.283 -24.599 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -8.892 23.571 -26.291 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -10.421 25.468 -25.635 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -10.029 25.190 -23.950 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -8.650 26.940 -24.894 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -7.685 25.614 -24.454 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -8.065 25.883 -26.087 1.00 0.00 H new ATOM 3557 N LYS Y 107 -10.837 19.180 -23.516 1.00 0.00 N ATOM 3558 CA LYS Y 107 -11.477 18.866 -22.216 1.00 0.00 C ATOM 3559 C LYS Y 107 -10.387 18.684 -21.168 1.00 0.00 C ATOM 3560 O LYS Y 107 -10.509 19.161 -20.063 1.00 0.00 O ATOM 3561 CB LYS Y 107 -12.288 17.572 -22.323 1.00 0.00 C ATOM 3562 CG LYS Y 107 -13.102 17.387 -21.037 1.00 0.00 C ATOM 3563 CD LYS Y 107 -13.858 16.050 -21.066 1.00 0.00 C ATOM 3564 CE LYS Y 107 -15.133 16.175 -21.908 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -15.978 17.280 -21.372 1.00 0.00 N ATOM 0 H LYS Y 107 -11.027 18.521 -24.271 1.00 0.00 H new ATOM 0 HA LYS Y 107 -12.145 19.681 -21.936 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -12.952 17.614 -23.186 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -11.623 16.722 -22.473 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -12.439 17.418 -20.172 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -13.809 18.209 -20.926 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -13.217 15.271 -21.479 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -14.113 15.747 -20.051 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -14.876 16.372 -22.949 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -15.688 15.237 -21.888 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -16.978 17.086 -21.583 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -15.849 17.348 -20.342 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -15.698 18.178 -21.816 1.00 0.00 H new ATOM 3579 N LEU Y 108 -9.312 18.014 -21.501 1.00 0.00 N ATOM 3580 CA LEU Y 108 -8.223 17.837 -20.493 1.00 0.00 C ATOM 3581 C LEU Y 108 -7.549 19.192 -20.243 1.00 0.00 C ATOM 3582 O LEU Y 108 -7.227 19.526 -19.133 1.00 0.00 O ATOM 3583 CB LEU Y 108 -7.179 16.808 -20.985 1.00 0.00 C ATOM 3584 CG LEU Y 108 -6.475 16.155 -19.773 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -7.302 14.972 -19.248 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -5.078 15.652 -20.169 1.00 0.00 C ATOM 0 H LEU Y 108 -9.143 17.588 -22.412 1.00 0.00 H new ATOM 0 HA LEU Y 108 -8.654 17.461 -19.565 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -7.666 16.043 -21.590 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -6.444 17.299 -21.623 1.00 0.00 H new ATOM 0 HG LEU Y 108 -6.380 16.909 -18.992 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -6.794 14.523 -18.395 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -8.286 15.325 -18.939 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -7.414 14.228 -20.037 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -4.597 15.195 -19.304 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -5.169 14.913 -20.965 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -4.475 16.490 -20.519 1.00 0.00 H new ATOM 3598 N MET Y 109 -7.344 19.979 -21.265 1.00 0.00 N ATOM 3599 CA MET Y 109 -6.691 21.315 -21.069 1.00 0.00 C ATOM 3600 C MET Y 109 -7.257 22.003 -19.818 1.00 0.00 C ATOM 3601 O MET Y 109 -6.614 22.849 -19.229 1.00 0.00 O ATOM 3602 CB MET Y 109 -6.904 22.202 -22.311 1.00 0.00 C ATOM 3603 CG MET Y 109 -5.817 21.909 -23.349 1.00 0.00 C ATOM 3604 SD MET Y 109 -5.860 20.152 -23.790 1.00 0.00 S ATOM 3605 CE MET Y 109 -4.072 19.881 -23.883 1.00 0.00 C ATOM 0 H MET Y 109 -7.599 19.759 -22.228 1.00 0.00 H new ATOM 0 HA MET Y 109 -5.620 21.164 -20.930 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -7.889 22.014 -22.739 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -6.875 23.254 -22.027 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -5.973 22.522 -24.237 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -4.837 22.171 -22.949 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -3.852 19.177 -24.686 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -3.570 20.828 -24.083 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -3.716 19.474 -22.936 1.00 0.00 H new ATOM 3615 N PHE Y 110 -8.455 21.659 -19.415 1.00 0.00 N ATOM 3616 CA PHE Y 110 -9.054 22.309 -18.201 1.00 0.00 C ATOM 3617 C PHE Y 110 -7.992 22.390 -17.084 1.00 0.00 C ATOM 3618 O PHE Y 110 -7.784 23.421 -16.477 1.00 0.00 O ATOM 3619 CB PHE Y 110 -10.275 21.478 -17.713 1.00 0.00 C ATOM 3620 CG PHE Y 110 -9.858 20.490 -16.632 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -9.734 20.926 -15.307 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -9.568 19.158 -16.955 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -9.326 20.032 -14.310 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -9.154 18.268 -15.960 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -9.034 18.704 -14.639 1.00 0.00 C ATOM 0 H PHE Y 110 -9.044 20.961 -19.869 1.00 0.00 H new ATOM 0 HA PHE Y 110 -9.387 23.316 -18.453 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -11.044 22.146 -17.325 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -10.714 20.941 -18.553 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -9.953 21.953 -15.054 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -9.665 18.818 -17.976 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -9.237 20.367 -13.287 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -8.927 17.243 -16.213 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -8.715 18.015 -13.870 1.00 0.00 H new ATOM 3635 N LYS Y 111 -7.329 21.294 -16.820 1.00 0.00 N ATOM 3636 CA LYS Y 111 -6.282 21.270 -15.754 1.00 0.00 C ATOM 3637 C LYS Y 111 -5.076 22.095 -16.210 1.00 0.00 C ATOM 3638 O LYS Y 111 -4.409 22.732 -15.418 1.00 0.00 O ATOM 3639 CB LYS Y 111 -5.840 19.816 -15.518 1.00 0.00 C ATOM 3640 CG LYS Y 111 -5.819 19.077 -16.870 1.00 0.00 C ATOM 3641 CD LYS Y 111 -4.821 17.885 -16.872 1.00 0.00 C ATOM 3642 CE LYS Y 111 -3.871 18.024 -18.071 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -2.998 16.821 -18.167 1.00 0.00 N ATOM 0 H LYS Y 111 -7.469 20.406 -17.302 1.00 0.00 H new ATOM 0 HA LYS Y 111 -6.685 21.690 -14.832 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -4.851 19.792 -15.059 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -6.524 19.321 -14.828 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -6.820 18.711 -17.098 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -5.548 19.777 -17.661 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -4.252 17.870 -15.942 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -5.363 16.941 -16.930 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -4.446 18.142 -18.990 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -3.260 18.920 -17.960 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -2.467 16.848 -19.061 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -2.332 16.811 -17.368 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -3.585 15.963 -18.139 1.00 0.00 H new ATOM 3657 N THR Y 112 -4.787 22.079 -17.483 1.00 0.00 N ATOM 3658 CA THR Y 112 -3.618 22.850 -17.989 1.00 0.00 C ATOM 3659 C THR Y 112 -3.831 24.326 -17.661 1.00 0.00 C ATOM 3660 O THR Y 112 -2.915 25.025 -17.275 1.00 0.00 O ATOM 3661 CB THR Y 112 -3.496 22.662 -19.506 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -3.317 21.282 -19.794 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -2.292 23.446 -20.031 1.00 0.00 C ATOM 0 H THR Y 112 -5.310 21.566 -18.193 1.00 0.00 H new ATOM 0 HA THR Y 112 -2.701 22.496 -17.517 1.00 0.00 H new ATOM 0 HB THR Y 112 -4.403 23.027 -19.988 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -3.240 21.157 -20.763 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -2.210 23.309 -21.109 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -2.423 24.505 -19.809 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -1.384 23.084 -19.549 1.00 0.00 H new ATOM 3671 N GLU Y 113 -5.039 24.800 -17.801 1.00 0.00 N ATOM 3672 CA GLU Y 113 -5.328 26.225 -17.484 1.00 0.00 C ATOM 3673 CB GLU Y 113 -5.172 26.457 -15.976 1.00 0.00 C ATOM 3674 CG GLU Y 113 -6.208 25.623 -15.217 1.00 0.00 C ATOM 3675 CD GLU Y 113 -6.074 25.888 -13.716 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -5.264 26.724 -13.352 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -6.789 25.256 -12.955 1.00 0.00 O ATOM 0 H GLU Y 113 -5.841 24.258 -18.123 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -4.166 26.183 -15.658 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -5.302 27.514 -15.745 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -7.213 25.877 -15.554 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -6.061 24.563 -15.425 1.00 0.00 H new