USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1070 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: A 79 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: B 133 HIS : no HD1:sc= 0.912 K(o=0.91,f=-2.6!) USER MOD Set 2.1: A 57 CYS SG : rot 9:sc= 0.501 USER MOD Set 2.2: A 68 CYS SG : rot 180:sc= -0.0524 USER MOD Set 3.1: A 46 LYS NZ :NH3+ -167:sc= 1.98 (180deg=1.63) USER MOD Set 3.2: B 117 ASN : amide:sc= -0.0347 K(o=1.9,f=-2.5!) USER MOD Set 4.1: A 35 GLN :FLIP amide:sc= -0.253 F(o=-0.96,f=-0.27) USER MOD Set 4.2: A 40 HIS : no HE2:sc= -0.0198 K(o=-0.27,f=-1.3) USER MOD Set 5.1: A 30 GLN : amide:sc= 1.14 K(o=-1.2,f=-7.8) USER MOD Set 5.2: A 38 HIS : no HE2:sc= -2.38! C(o=-1.2!,f=-13!) USER MOD Set 6.1: A 23 THR OG1 : rot 120:sc= 0.865 USER MOD Set 6.2: A 25 SER OG : rot 180:sc= 0.868 USER MOD Single : A 1 TYR N :NH3+ 146:sc= 0.147 (180deg=0.0139) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -1:sc= 0.111 USER MOD Single : A 9 MET CE :methyl 168:sc= 0 (180deg=-0.0646) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 101:sc= 0.549 USER MOD Single : A 15 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.1!) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 153:sc= -0.203 (180deg=-0.801) USER MOD Single : A 29 CYS SG : rot -141:sc= -2.22! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 42 TYR OH : rot 164:sc= 0.927 USER MOD Single : A 45 SER OG : rot 180:sc= 0.026 USER MOD Single : A 49 ASN : amide:sc= 0.186 K(o=0.19,f=-4.5!) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.13) USER MOD Single : A 51 ASN : amide:sc= 1.08 K(o=1.1,f=-1.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.699 K(o=0.7,f=-3.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0436 K(o=-0.044,f=-7.9!) USER MOD Single : A 70 THR OG1 : rot 83:sc= 1.3 USER MOD Single : A 71 THR OG1 : rot 110:sc= -0.55 USER MOD Single : A 74 ASN : amide:sc= 0.058 X(o=0.058,f=-0.18) USER MOD Single : A 75 LYS NZ :NH3+ -99:sc= 1.27 (180deg=-0.681) USER MOD Single : A 80 CYS SG : rot 82:sc= 0.124 USER MOD Single : A 85 CYS SG : rot 180:sc=-0.00684 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 105 LYS NZ :NH3+ -165:sc= 2.2 (180deg=1.9) USER MOD Single : B 107 THR OG1 : rot 92:sc= 0.0549 USER MOD Single : B 113 GLN : amide:sc= -0.0574 X(o=-0.057,f=-0.034) USER MOD Single : B 116 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.08) USER MOD Single : B 129 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.1) USER MOD Single : B 130 SER OG : rot 82:sc= 0.609 USER MOD Single : B 135 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : B 137 LYS NZ :NH3+ -160:sc= 1.3 (180deg=1.11) USER MOD Single : B 138 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0638) USER MOD Single : B 143 LYS NZ :NH3+ -160:sc= 3.57 (180deg=3.06) USER MOD Single : B 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -20.171 6.321 -12.940 1.00 15.00 N ATOM 2 CA TYR A 1 -21.219 6.731 -13.901 1.00 15.00 C ATOM 3 C TYR A 1 -22.063 7.853 -13.313 1.00 15.00 C ATOM 4 O TYR A 1 -21.998 8.992 -13.766 1.00 15.00 O ATOM 5 CB TYR A 1 -22.114 5.544 -14.271 1.00 15.00 C ATOM 6 CG TYR A 1 -21.392 4.434 -14.996 1.00 15.00 C ATOM 7 CD1 TYR A 1 -21.083 4.545 -16.345 1.00 15.00 C ATOM 8 CD2 TYR A 1 -21.011 3.276 -14.332 1.00 15.00 C ATOM 9 CE1 TYR A 1 -20.419 3.535 -17.010 1.00 15.00 C ATOM 10 CE2 TYR A 1 -20.346 2.261 -14.990 1.00 15.00 C ATOM 11 CZ TYR A 1 -20.052 2.396 -16.329 1.00 15.00 C ATOM 12 OH TYR A 1 -19.384 1.388 -16.988 1.00 15.00 O ATOM 0 H1 TYR A 1 -19.999 5.299 -13.029 1.00 15.00 H new ATOM 0 H2 TYR A 1 -19.292 6.839 -13.143 1.00 15.00 H new ATOM 0 H3 TYR A 1 -20.484 6.537 -11.972 1.00 15.00 H new ATOM 0 HA TYR A 1 -20.728 7.090 -14.806 1.00 15.00 H new ATOM 0 HB2 TYR A 1 -22.560 5.141 -13.362 1.00 15.00 H new ATOM 0 HB3 TYR A 1 -22.933 5.900 -14.896 1.00 15.00 H new ATOM 0 HD1 TYR A 1 -21.367 5.437 -16.883 1.00 15.00 H new ATOM 0 HD2 TYR A 1 -21.239 3.167 -13.282 1.00 15.00 H new ATOM 0 HE1 TYR A 1 -20.188 3.637 -18.060 1.00 15.00 H new ATOM 0 HE2 TYR A 1 -20.058 1.366 -14.458 1.00 15.00 H new ATOM 0 HH TYR A 1 -19.198 0.656 -16.363 1.00 15.00 H new ATOM 24 N VAL A 2 -22.848 7.525 -12.293 1.00 15.00 N ATOM 25 CA VAL A 2 -23.698 8.509 -11.639 1.00 15.00 C ATOM 26 C VAL A 2 -23.053 8.971 -10.341 1.00 15.00 C ATOM 27 O VAL A 2 -22.308 8.217 -9.711 1.00 15.00 O ATOM 28 CB VAL A 2 -25.114 7.956 -11.353 1.00 15.00 C ATOM 29 CG1 VAL A 2 -25.857 7.688 -12.651 1.00 15.00 C ATOM 30 CG2 VAL A 2 -25.050 6.694 -10.505 1.00 15.00 C ATOM 0 H VAL A 2 -22.912 6.585 -11.902 1.00 15.00 H new ATOM 0 HA VAL A 2 -23.805 9.353 -12.320 1.00 15.00 H new ATOM 0 HB VAL A 2 -25.661 8.713 -10.790 1.00 15.00 H new ATOM 0 HG11 VAL A 2 -26.851 7.300 -12.428 1.00 15.00 H new ATOM 0 HG12 VAL A 2 -25.948 8.616 -13.216 1.00 15.00 H new ATOM 0 HG13 VAL A 2 -25.306 6.956 -13.241 1.00 15.00 H new ATOM 0 HG21 VAL A 2 -26.060 6.328 -10.320 1.00 15.00 H new ATOM 0 HG22 VAL A 2 -24.478 5.930 -11.032 1.00 15.00 H new ATOM 0 HG23 VAL A 2 -24.566 6.918 -9.555 1.00 15.00 H new ATOM 40 N GLU A 3 -23.317 10.210 -9.955 1.00 15.00 N ATOM 41 CA GLU A 3 -22.749 10.759 -8.736 1.00 15.00 C ATOM 42 C GLU A 3 -23.459 10.188 -7.517 1.00 15.00 C ATOM 43 O GLU A 3 -22.822 9.809 -6.533 1.00 15.00 O ATOM 44 CB GLU A 3 -22.853 12.286 -8.739 1.00 15.00 C ATOM 45 CG GLU A 3 -21.855 12.969 -7.818 1.00 15.00 C ATOM 46 CD GLU A 3 -20.421 12.758 -8.257 1.00 15.00 C ATOM 47 OE1 GLU A 3 -20.065 13.200 -9.369 1.00 15.00 O ATOM 48 OE2 GLU A 3 -19.643 12.147 -7.495 1.00 15.00 O1- ATOM 0 H GLU A 3 -23.920 10.853 -10.468 1.00 15.00 H new ATOM 0 HA GLU A 3 -21.696 10.481 -8.690 1.00 15.00 H new ATOM 0 HB2 GLU A 3 -22.703 12.649 -9.756 1.00 15.00 H new ATOM 0 HB3 GLU A 3 -23.862 12.573 -8.443 1.00 15.00 H new ATOM 0 HG2 GLU A 3 -22.068 14.037 -7.785 1.00 15.00 H new ATOM 0 HG3 GLU A 3 -21.981 12.588 -6.805 1.00 15.00 H new ATOM 55 N PHE A 4 -24.781 10.108 -7.599 1.00 15.00 N ATOM 56 CA PHE A 4 -25.590 9.586 -6.501 1.00 15.00 C ATOM 57 C PHE A 4 -25.384 8.086 -6.327 1.00 15.00 C ATOM 58 O PHE A 4 -25.792 7.284 -7.171 1.00 15.00 O ATOM 59 CB PHE A 4 -27.072 9.888 -6.736 1.00 15.00 C ATOM 60 CG PHE A 4 -27.427 11.330 -6.516 1.00 15.00 C ATOM 61 CD1 PHE A 4 -27.638 11.814 -5.235 1.00 15.00 C ATOM 62 CD2 PHE A 4 -27.550 12.203 -7.587 1.00 15.00 C ATOM 63 CE1 PHE A 4 -27.964 13.138 -5.025 1.00 15.00 C ATOM 64 CE2 PHE A 4 -27.876 13.530 -7.382 1.00 15.00 C ATOM 65 CZ PHE A 4 -28.084 13.999 -6.100 1.00 15.00 C ATOM 0 H PHE A 4 -25.318 10.398 -8.416 1.00 15.00 H new ATOM 0 HA PHE A 4 -25.267 10.083 -5.586 1.00 15.00 H new ATOM 0 HB2 PHE A 4 -27.335 9.608 -7.756 1.00 15.00 H new ATOM 0 HB3 PHE A 4 -27.672 9.268 -6.070 1.00 15.00 H new ATOM 0 HD1 PHE A 4 -27.546 11.147 -4.391 1.00 15.00 H new ATOM 0 HD2 PHE A 4 -27.389 11.842 -8.592 1.00 15.00 H new ATOM 0 HE1 PHE A 4 -28.125 13.502 -4.021 1.00 15.00 H new ATOM 0 HE2 PHE A 4 -27.968 14.200 -8.224 1.00 15.00 H new ATOM 0 HZ PHE A 4 -28.340 15.036 -5.938 1.00 15.00 H new ATOM 75 N SER A 5 -24.739 7.711 -5.233 1.00 15.00 N ATOM 76 CA SER A 5 -24.482 6.314 -4.946 1.00 15.00 C ATOM 77 C SER A 5 -25.106 5.921 -3.613 1.00 15.00 C ATOM 78 O SER A 5 -25.341 6.775 -2.754 1.00 15.00 O ATOM 79 CB SER A 5 -22.976 6.057 -4.931 1.00 15.00 C ATOM 80 OG SER A 5 -22.349 6.701 -6.031 1.00 15.00 O ATOM 0 H SER A 5 -24.384 8.359 -4.530 1.00 15.00 H new ATOM 0 HA SER A 5 -24.935 5.703 -5.726 1.00 15.00 H new ATOM 0 HB2 SER A 5 -22.548 6.422 -3.997 1.00 15.00 H new ATOM 0 HB3 SER A 5 -22.784 4.985 -4.972 1.00 15.00 H new ATOM 0 HG SER A 5 -21.385 6.528 -6.005 1.00 15.00 H new ATOM 86 N GLU A 6 -25.393 4.637 -3.450 1.00 15.00 N ATOM 87 CA GLU A 6 -25.990 4.136 -2.223 1.00 15.00 C ATOM 88 C GLU A 6 -25.564 2.692 -1.984 1.00 15.00 C ATOM 89 O GLU A 6 -26.115 1.767 -2.580 1.00 15.00 O ATOM 90 CB GLU A 6 -27.518 4.237 -2.295 1.00 15.00 C ATOM 91 CG GLU A 6 -28.224 3.761 -1.034 1.00 15.00 C ATOM 92 CD GLU A 6 -27.804 4.529 0.202 1.00 15.00 C ATOM 93 OE1 GLU A 6 -26.953 4.020 0.958 1.00 15.00 O ATOM 94 OE2 GLU A 6 -28.324 5.647 0.425 1.00 15.00 O1- ATOM 0 H GLU A 6 -25.221 3.922 -4.156 1.00 15.00 H new ATOM 0 HA GLU A 6 -25.642 4.746 -1.389 1.00 15.00 H new ATOM 0 HB2 GLU A 6 -27.796 5.273 -2.487 1.00 15.00 H new ATOM 0 HB3 GLU A 6 -27.872 3.650 -3.142 1.00 15.00 H new ATOM 0 HG2 GLU A 6 -29.301 3.859 -1.168 1.00 15.00 H new ATOM 0 HG3 GLU A 6 -28.016 2.701 -0.885 1.00 15.00 H new ATOM 101 N GLU A 7 -24.569 2.504 -1.129 1.00 15.00 N ATOM 102 CA GLU A 7 -24.066 1.175 -0.816 1.00 15.00 C ATOM 103 C GLU A 7 -23.176 1.220 0.417 1.00 15.00 C ATOM 104 O GLU A 7 -22.719 2.293 0.821 1.00 15.00 O ATOM 105 CB GLU A 7 -23.290 0.597 -2.006 1.00 15.00 C ATOM 106 CG GLU A 7 -22.214 1.525 -2.559 1.00 15.00 C ATOM 107 CD GLU A 7 -21.661 1.048 -3.887 1.00 15.00 C ATOM 108 OE1 GLU A 7 -20.894 1.802 -4.522 1.00 15.00 O ATOM 109 OE2 GLU A 7 -21.995 -0.082 -4.304 1.00 15.00 O1- ATOM 0 H GLU A 7 -24.092 3.260 -0.637 1.00 15.00 H new ATOM 0 HA GLU A 7 -24.918 0.528 -0.610 1.00 15.00 H new ATOM 0 HB2 GLU A 7 -22.824 -0.340 -1.701 1.00 15.00 H new ATOM 0 HB3 GLU A 7 -23.994 0.359 -2.803 1.00 15.00 H new ATOM 0 HG2 GLU A 7 -22.629 2.525 -2.681 1.00 15.00 H new ATOM 0 HG3 GLU A 7 -21.401 1.603 -1.838 1.00 15.00 H new ATOM 116 N CYS A 8 -22.946 0.056 1.014 1.00 15.00 N ATOM 117 CA CYS A 8 -22.106 -0.057 2.201 1.00 15.00 C ATOM 118 C CYS A 8 -21.310 -1.361 2.165 1.00 15.00 C ATOM 119 O CYS A 8 -21.752 -2.351 1.576 1.00 15.00 O ATOM 120 CB CYS A 8 -22.964 -0.011 3.469 1.00 15.00 C ATOM 121 SG CYS A 8 -23.849 1.545 3.716 1.00 15.00 S ATOM 0 H CYS A 8 -23.334 -0.831 0.692 1.00 15.00 H new ATOM 0 HA CYS A 8 -21.412 0.784 2.212 1.00 15.00 H new ATOM 0 HB2 CYS A 8 -23.688 -0.825 3.433 1.00 15.00 H new ATOM 0 HB3 CYS A 8 -22.324 -0.192 4.333 1.00 15.00 H new ATOM 0 HG CYS A 8 -23.563 2.365 2.749 1.00 15.00 H new ATOM 127 N MET A 9 -20.137 -1.357 2.783 1.00 15.00 N ATOM 128 CA MET A 9 -19.290 -2.539 2.826 1.00 15.00 C ATOM 129 C MET A 9 -19.148 -3.040 4.257 1.00 15.00 C ATOM 130 O MET A 9 -19.293 -2.271 5.211 1.00 15.00 O ATOM 131 CB MET A 9 -17.918 -2.238 2.219 1.00 15.00 C ATOM 132 CG MET A 9 -17.960 -2.055 0.708 1.00 15.00 C ATOM 133 SD MET A 9 -18.442 -3.562 -0.163 1.00 15.00 S ATOM 134 CE MET A 9 -19.218 -2.873 -1.625 1.00 15.00 C ATOM 0 H MET A 9 -19.750 -0.545 3.263 1.00 15.00 H new ATOM 0 HA MET A 9 -19.760 -3.324 2.234 1.00 15.00 H new ATOM 0 HB2 MET A 9 -17.515 -1.335 2.677 1.00 15.00 H new ATOM 0 HB3 MET A 9 -17.234 -3.051 2.462 1.00 15.00 H new ATOM 0 HG2 MET A 9 -18.661 -1.258 0.462 1.00 15.00 H new ATOM 0 HG3 MET A 9 -16.979 -1.736 0.357 1.00 15.00 H new ATOM 0 HE1 MET A 9 -19.377 -3.663 -2.359 1.00 15.00 H new ATOM 0 HE2 MET A 9 -20.177 -2.431 -1.354 1.00 15.00 H new ATOM 0 HE3 MET A 9 -18.573 -2.105 -2.052 1.00 15.00 H new ATOM 144 N HIS A 10 -18.873 -4.332 4.397 1.00 15.00 N ATOM 145 CA HIS A 10 -18.738 -4.964 5.705 1.00 15.00 C ATOM 146 C HIS A 10 -17.492 -4.486 6.450 1.00 15.00 C ATOM 147 O HIS A 10 -16.407 -5.032 6.264 1.00 15.00 O ATOM 148 CB HIS A 10 -18.703 -6.487 5.530 1.00 15.00 C ATOM 149 CG HIS A 10 -18.565 -7.261 6.805 1.00 15.00 C ATOM 150 ND1 HIS A 10 -19.591 -7.332 7.717 1.00 15.00 N ATOM 151 CD2 HIS A 10 -17.510 -7.971 7.267 1.00 15.00 C ATOM 152 CE1 HIS A 10 -19.141 -8.085 8.708 1.00 15.00 C ATOM 153 NE2 HIS A 10 -17.888 -8.495 8.474 1.00 15.00 N ATOM 0 H HIS A 10 -18.738 -4.968 3.611 1.00 15.00 H new ATOM 0 HA HIS A 10 -19.599 -4.678 6.309 1.00 15.00 H new ATOM 0 HB2 HIS A 10 -19.617 -6.802 5.027 1.00 15.00 H new ATOM 0 HB3 HIS A 10 -17.872 -6.744 4.873 1.00 15.00 H new ATOM 0 HD2 HIS A 10 -16.555 -8.099 6.779 1.00 15.00 H new ATOM 0 HE1 HIS A 10 -19.710 -8.336 9.591 1.00 15.00 H new ATOM 0 HE2 HIS A 10 -17.321 -9.087 9.081 1.00 15.00 H new ATOM 161 N GLY A 11 -17.690 -3.488 7.311 1.00 15.00 N ATOM 162 CA GLY A 11 -16.623 -2.924 8.130 1.00 15.00 C ATOM 163 C GLY A 11 -15.279 -2.777 7.430 1.00 15.00 C ATOM 164 O GLY A 11 -15.065 -1.842 6.656 1.00 15.00 O ATOM 0 H GLY A 11 -18.598 -3.048 7.459 1.00 15.00 H new ATOM 0 HA2 GLY A 11 -16.939 -1.943 8.485 1.00 15.00 H new ATOM 0 HA3 GLY A 11 -16.490 -3.554 9.009 1.00 15.00 H new ATOM 168 N SER A 12 -14.378 -3.709 7.728 1.00 15.00 N ATOM 169 CA SER A 12 -13.034 -3.720 7.168 1.00 15.00 C ATOM 170 C SER A 12 -13.056 -3.945 5.659 1.00 15.00 C ATOM 171 O SER A 12 -12.289 -3.329 4.924 1.00 15.00 O ATOM 172 CB SER A 12 -12.206 -4.812 7.858 1.00 15.00 C ATOM 173 OG SER A 12 -10.881 -4.876 7.352 1.00 15.00 O ATOM 0 H SER A 12 -14.563 -4.481 8.368 1.00 15.00 H new ATOM 0 HA SER A 12 -12.579 -2.746 7.345 1.00 15.00 H new ATOM 0 HB2 SER A 12 -12.175 -4.620 8.931 1.00 15.00 H new ATOM 0 HB3 SER A 12 -12.693 -5.777 7.721 1.00 15.00 H new ATOM 0 HG SER A 12 -10.271 -4.429 7.975 1.00 15.00 H new ATOM 179 N GLY A 13 -13.942 -4.819 5.200 1.00 15.00 N ATOM 180 CA GLY A 13 -14.029 -5.111 3.784 1.00 15.00 C ATOM 181 C GLY A 13 -12.760 -5.758 3.267 1.00 15.00 C ATOM 182 O GLY A 13 -12.212 -5.343 2.249 1.00 15.00 O ATOM 0 H GLY A 13 -14.603 -5.331 5.785 1.00 15.00 H new ATOM 0 HA2 GLY A 13 -14.876 -5.772 3.600 1.00 15.00 H new ATOM 0 HA3 GLY A 13 -14.218 -4.190 3.233 1.00 15.00 H new ATOM 186 N GLU A 14 -12.294 -6.773 3.981 1.00 15.00 N ATOM 187 CA GLU A 14 -11.080 -7.487 3.606 1.00 15.00 C ATOM 188 C GLU A 14 -11.234 -8.155 2.240 1.00 15.00 C ATOM 189 O GLU A 14 -10.305 -8.167 1.436 1.00 15.00 O ATOM 190 CB GLU A 14 -10.742 -8.535 4.666 1.00 15.00 C ATOM 191 CG GLU A 14 -9.449 -9.287 4.399 1.00 15.00 C ATOM 192 CD GLU A 14 -9.607 -10.785 4.555 1.00 15.00 C ATOM 193 OE1 GLU A 14 -8.860 -11.536 3.897 1.00 15.00 O ATOM 194 OE2 GLU A 14 -10.484 -11.220 5.333 1.00 15.00 O1- ATOM 0 H GLU A 14 -12.741 -7.123 4.828 1.00 15.00 H new ATOM 0 HA GLU A 14 -10.266 -6.764 3.541 1.00 15.00 H new ATOM 0 HB2 GLU A 14 -10.672 -8.045 5.637 1.00 15.00 H new ATOM 0 HB3 GLU A 14 -11.561 -9.251 4.728 1.00 15.00 H new ATOM 0 HG2 GLU A 14 -9.105 -9.064 3.389 1.00 15.00 H new ATOM 0 HG3 GLU A 14 -8.678 -8.933 5.084 1.00 15.00 H new ATOM 201 N ASN A 15 -12.422 -8.684 1.978 1.00 15.00 N ATOM 202 CA ASN A 15 -12.697 -9.364 0.717 1.00 15.00 C ATOM 203 C ASN A 15 -13.378 -8.427 -0.279 1.00 15.00 C ATOM 204 O ASN A 15 -14.143 -8.868 -1.142 1.00 15.00 O ATOM 205 CB ASN A 15 -13.565 -10.603 0.958 1.00 15.00 C ATOM 206 CG ASN A 15 -12.784 -11.898 0.809 1.00 15.00 C ATOM 207 OD1 ASN A 15 -11.754 -11.946 0.136 1.00 15.00 O ATOM 208 ND2 ASN A 15 -13.272 -12.961 1.432 1.00 15.00 N ATOM 0 H ASN A 15 -13.212 -8.656 2.622 1.00 15.00 H new ATOM 0 HA ASN A 15 -11.744 -9.677 0.290 1.00 15.00 H new ATOM 0 HB2 ASN A 15 -13.993 -10.554 1.959 1.00 15.00 H new ATOM 0 HB3 ASN A 15 -14.398 -10.602 0.255 1.00 15.00 H new ATOM 0 HD21 ASN A 15 -12.791 -13.858 1.363 1.00 15.00 H new ATOM 0 HD22 ASN A 15 -14.128 -12.882 1.981 1.00 15.00 H new ATOM 215 N TYR A 16 -13.107 -7.133 -0.142 1.00 15.00 N ATOM 216 CA TYR A 16 -13.679 -6.117 -1.023 1.00 15.00 C ATOM 217 C TYR A 16 -13.144 -6.268 -2.446 1.00 15.00 C ATOM 218 O TYR A 16 -11.969 -6.011 -2.709 1.00 15.00 O ATOM 219 CB TYR A 16 -13.362 -4.716 -0.481 1.00 15.00 C ATOM 220 CG TYR A 16 -13.757 -3.572 -1.394 1.00 15.00 C ATOM 221 CD1 TYR A 16 -15.090 -3.291 -1.655 1.00 15.00 C ATOM 222 CD2 TYR A 16 -12.789 -2.762 -1.979 1.00 15.00 C ATOM 223 CE1 TYR A 16 -15.451 -2.239 -2.478 1.00 15.00 C ATOM 224 CE2 TYR A 16 -13.139 -1.711 -2.802 1.00 15.00 C ATOM 225 CZ TYR A 16 -14.469 -1.451 -3.048 1.00 15.00 C ATOM 226 OH TYR A 16 -14.818 -0.402 -3.871 1.00 15.00 O ATOM 0 H TYR A 16 -12.489 -6.759 0.578 1.00 15.00 H new ATOM 0 HA TYR A 16 -14.760 -6.252 -1.051 1.00 15.00 H new ATOM 0 HB2 TYR A 16 -13.869 -4.589 0.476 1.00 15.00 H new ATOM 0 HB3 TYR A 16 -12.292 -4.652 -0.285 1.00 15.00 H new ATOM 0 HD1 TYR A 16 -15.859 -3.904 -1.208 1.00 15.00 H new ATOM 0 HD2 TYR A 16 -11.745 -2.959 -1.786 1.00 15.00 H new ATOM 0 HE1 TYR A 16 -16.493 -2.035 -2.674 1.00 15.00 H new ATOM 0 HE2 TYR A 16 -12.374 -1.095 -3.251 1.00 15.00 H new ATOM 0 HH TYR A 16 -15.689 -0.047 -3.596 1.00 15.00 H new ATOM 236 N ASP A 17 -14.013 -6.685 -3.356 1.00 15.00 N ATOM 237 CA ASP A 17 -13.630 -6.872 -4.752 1.00 15.00 C ATOM 238 C ASP A 17 -14.266 -5.795 -5.624 1.00 15.00 C ATOM 239 O ASP A 17 -14.496 -5.991 -6.818 1.00 15.00 O ATOM 240 CB ASP A 17 -14.056 -8.260 -5.233 1.00 15.00 C ATOM 241 CG ASP A 17 -13.107 -8.848 -6.260 1.00 15.00 C ATOM 242 OD1 ASP A 17 -12.292 -9.721 -5.887 1.00 15.00 O ATOM 243 OD2 ASP A 17 -13.184 -8.464 -7.445 1.00 15.00 O1- ATOM 0 H ASP A 17 -14.989 -6.901 -3.154 1.00 15.00 H new ATOM 0 HA ASP A 17 -12.546 -6.789 -4.831 1.00 15.00 H new ATOM 0 HB2 ASP A 17 -14.118 -8.932 -4.377 1.00 15.00 H new ATOM 0 HB3 ASP A 17 -15.056 -8.199 -5.663 1.00 15.00 H new ATOM 248 N GLY A 18 -14.539 -4.650 -5.013 1.00 15.00 N ATOM 249 CA GLY A 18 -15.150 -3.550 -5.735 1.00 15.00 C ATOM 250 C GLY A 18 -14.210 -2.929 -6.746 1.00 15.00 C ATOM 251 O GLY A 18 -12.987 -3.077 -6.646 1.00 15.00 O ATOM 0 H GLY A 18 -14.348 -4.462 -4.029 1.00 15.00 H new ATOM 0 HA2 GLY A 18 -16.044 -3.907 -6.246 1.00 15.00 H new ATOM 0 HA3 GLY A 18 -15.471 -2.787 -5.026 1.00 15.00 H new ATOM 255 N LYS A 19 -14.776 -2.227 -7.718 1.00 15.00 N ATOM 256 CA LYS A 19 -13.986 -1.590 -8.760 1.00 15.00 C ATOM 257 C LYS A 19 -13.643 -0.152 -8.385 1.00 15.00 C ATOM 258 O LYS A 19 -14.500 0.732 -8.420 1.00 15.00 O ATOM 259 CB LYS A 19 -14.743 -1.617 -10.093 1.00 15.00 C ATOM 260 CG LYS A 19 -14.933 -3.016 -10.656 1.00 15.00 C ATOM 261 CD LYS A 19 -15.777 -2.999 -11.921 1.00 15.00 C ATOM 262 CE LYS A 19 -15.010 -2.425 -13.101 1.00 15.00 C ATOM 263 NZ LYS A 19 -15.850 -2.355 -14.326 1.00 15.00 N1+ ATOM 0 H LYS A 19 -15.782 -2.085 -7.806 1.00 15.00 H new ATOM 0 HA LYS A 19 -13.056 -2.148 -8.866 1.00 15.00 H new ATOM 0 HB2 LYS A 19 -15.720 -1.154 -9.956 1.00 15.00 H new ATOM 0 HB3 LYS A 19 -14.202 -1.012 -10.821 1.00 15.00 H new ATOM 0 HG2 LYS A 19 -13.960 -3.457 -10.873 1.00 15.00 H new ATOM 0 HG3 LYS A 19 -15.410 -3.649 -9.908 1.00 15.00 H new ATOM 0 HD2 LYS A 19 -16.101 -4.013 -12.156 1.00 15.00 H new ATOM 0 HD3 LYS A 19 -16.677 -2.408 -11.750 1.00 15.00 H new ATOM 0 HE2 LYS A 19 -14.650 -1.427 -12.850 1.00 15.00 H new ATOM 0 HE3 LYS A 19 -14.132 -3.040 -13.297 1.00 15.00 H new ATOM 0 HZ1 LYS A 19 -15.291 -1.958 -15.108 1.00 15.00 H new ATOM 0 HZ2 LYS A 19 -16.173 -3.310 -14.581 1.00 15.00 H new ATOM 0 HZ3 LYS A 19 -16.675 -1.747 -14.147 1.00 15.00 H new ATOM 277 N ILE A 20 -12.391 0.066 -8.012 1.00 15.00 N ATOM 278 CA ILE A 20 -11.909 1.386 -7.641 1.00 15.00 C ATOM 279 C ILE A 20 -10.382 1.402 -7.683 1.00 15.00 C ATOM 280 O ILE A 20 -9.732 0.437 -7.271 1.00 15.00 O ATOM 281 CB ILE A 20 -12.422 1.820 -6.242 1.00 15.00 C ATOM 282 CG1 ILE A 20 -12.059 3.281 -5.968 1.00 15.00 C ATOM 283 CG2 ILE A 20 -11.867 0.916 -5.150 1.00 15.00 C ATOM 284 CD1 ILE A 20 -12.763 3.871 -4.764 1.00 15.00 C ATOM 0 H ILE A 20 -11.683 -0.666 -7.958 1.00 15.00 H new ATOM 0 HA ILE A 20 -12.301 2.105 -8.360 1.00 15.00 H new ATOM 0 HB ILE A 20 -13.508 1.725 -6.236 1.00 15.00 H new ATOM 0 HG12 ILE A 20 -10.982 3.356 -5.820 1.00 15.00 H new ATOM 0 HG13 ILE A 20 -12.302 3.877 -6.848 1.00 15.00 H new ATOM 0 HG21 ILE A 20 -12.243 1.243 -4.181 1.00 15.00 H new ATOM 0 HG22 ILE A 20 -12.182 -0.111 -5.333 1.00 15.00 H new ATOM 0 HG23 ILE A 20 -10.778 0.968 -5.153 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -12.455 4.908 -4.634 1.00 15.00 H new ATOM 0 HD12 ILE A 20 -13.841 3.829 -4.917 1.00 15.00 H new ATOM 0 HD13 ILE A 20 -12.500 3.300 -3.873 1.00 15.00 H new ATOM 296 N SER A 21 -9.822 2.475 -8.220 1.00 15.00 N ATOM 297 CA SER A 21 -8.379 2.609 -8.336 1.00 15.00 C ATOM 298 C SER A 21 -7.924 4.002 -7.912 1.00 15.00 C ATOM 299 O SER A 21 -6.875 4.488 -8.340 1.00 15.00 O ATOM 300 CB SER A 21 -7.954 2.333 -9.781 1.00 15.00 C ATOM 301 OG SER A 21 -9.037 2.536 -10.676 1.00 15.00 O ATOM 0 H SER A 21 -10.349 3.269 -8.584 1.00 15.00 H new ATOM 0 HA SER A 21 -7.907 1.884 -7.673 1.00 15.00 H new ATOM 0 HB2 SER A 21 -7.126 2.988 -10.052 1.00 15.00 H new ATOM 0 HB3 SER A 21 -7.592 1.309 -9.868 1.00 15.00 H new ATOM 0 HG SER A 21 -8.742 2.356 -11.593 1.00 15.00 H new ATOM 307 N LYS A 22 -8.719 4.640 -7.065 1.00 15.00 N ATOM 308 CA LYS A 22 -8.404 5.976 -6.583 1.00 15.00 C ATOM 309 C LYS A 22 -8.524 6.031 -5.067 1.00 15.00 C ATOM 310 O LYS A 22 -9.474 5.494 -4.498 1.00 15.00 O ATOM 311 CB LYS A 22 -9.333 7.015 -7.218 1.00 15.00 C ATOM 312 CG LYS A 22 -9.145 7.163 -8.719 1.00 15.00 C ATOM 313 CD LYS A 22 -10.112 8.178 -9.306 1.00 15.00 C ATOM 314 CE LYS A 22 -11.525 7.623 -9.408 1.00 15.00 C ATOM 315 NZ LYS A 22 -12.492 8.661 -9.844 1.00 15.00 N1+ ATOM 0 H LYS A 22 -9.588 4.253 -6.697 1.00 15.00 H new ATOM 0 HA LYS A 22 -7.378 6.208 -6.868 1.00 15.00 H new ATOM 0 HB2 LYS A 22 -10.367 6.737 -7.016 1.00 15.00 H new ATOM 0 HB3 LYS A 22 -9.163 7.981 -6.742 1.00 15.00 H new ATOM 0 HG2 LYS A 22 -8.121 7.471 -8.929 1.00 15.00 H new ATOM 0 HG3 LYS A 22 -9.293 6.197 -9.202 1.00 15.00 H new ATOM 0 HD2 LYS A 22 -10.118 9.074 -8.686 1.00 15.00 H new ATOM 0 HD3 LYS A 22 -9.767 8.477 -10.296 1.00 15.00 H new ATOM 0 HE2 LYS A 22 -11.540 6.792 -10.114 1.00 15.00 H new ATOM 0 HE3 LYS A 22 -11.830 7.225 -8.440 1.00 15.00 H new ATOM 0 HZ1 LYS A 22 -13.444 8.246 -9.902 1.00 15.00 H new ATOM 0 HZ2 LYS A 22 -12.496 9.442 -9.157 1.00 15.00 H new ATOM 0 HZ3 LYS A 22 -12.215 9.023 -10.779 1.00 15.00 H new ATOM 329 N THR A 23 -7.562 6.666 -4.415 1.00 15.00 N ATOM 330 CA THR A 23 -7.576 6.778 -2.966 1.00 15.00 C ATOM 331 C THR A 23 -8.514 7.896 -2.519 1.00 15.00 C ATOM 332 O THR A 23 -9.079 8.615 -3.348 1.00 15.00 O ATOM 333 CB THR A 23 -6.167 7.059 -2.415 1.00 15.00 C ATOM 334 OG1 THR A 23 -5.587 8.175 -3.108 1.00 15.00 O ATOM 335 CG2 THR A 23 -5.271 5.839 -2.558 1.00 15.00 C ATOM 0 H THR A 23 -6.763 7.111 -4.866 1.00 15.00 H new ATOM 0 HA THR A 23 -7.929 5.825 -2.572 1.00 15.00 H new ATOM 0 HB THR A 23 -6.255 7.295 -1.354 1.00 15.00 H new ATOM 0 HG1 THR A 23 -5.381 8.887 -2.467 1.00 15.00 H new ATOM 0 HG21 THR A 23 -4.282 6.066 -2.161 1.00 15.00 H new ATOM 0 HG22 THR A 23 -5.702 5.004 -2.005 1.00 15.00 H new ATOM 0 HG23 THR A 23 -5.186 5.571 -3.611 1.00 15.00 H new ATOM 343 N MET A 24 -8.655 8.058 -1.205 1.00 15.00 N ATOM 344 CA MET A 24 -9.514 9.101 -0.649 1.00 15.00 C ATOM 345 C MET A 24 -8.902 10.478 -0.893 1.00 15.00 C ATOM 346 O MET A 24 -9.572 11.502 -0.780 1.00 15.00 O ATOM 347 CB MET A 24 -9.746 8.872 0.853 1.00 15.00 C ATOM 348 CG MET A 24 -8.476 8.919 1.695 1.00 15.00 C ATOM 349 SD MET A 24 -8.083 10.576 2.294 1.00 15.00 S ATOM 350 CE MET A 24 -9.451 10.866 3.415 1.00 15.00 C ATOM 0 H MET A 24 -8.186 7.481 -0.506 1.00 15.00 H new ATOM 0 HA MET A 24 -10.480 9.056 -1.153 1.00 15.00 H new ATOM 0 HB2 MET A 24 -10.441 9.627 1.221 1.00 15.00 H new ATOM 0 HB3 MET A 24 -10.225 7.903 0.992 1.00 15.00 H new ATOM 0 HG2 MET A 24 -8.587 8.248 2.547 1.00 15.00 H new ATOM 0 HG3 MET A 24 -7.641 8.546 1.103 1.00 15.00 H new ATOM 0 HE1 MET A 24 -9.143 11.567 4.191 1.00 15.00 H new ATOM 0 HE2 MET A 24 -10.292 11.283 2.862 1.00 15.00 H new ATOM 0 HE3 MET A 24 -9.750 9.924 3.875 1.00 15.00 H new ATOM 360 N SER A 25 -7.619 10.489 -1.235 1.00 15.00 N ATOM 361 CA SER A 25 -6.904 11.721 -1.511 1.00 15.00 C ATOM 362 C SER A 25 -7.051 12.118 -2.979 1.00 15.00 C ATOM 363 O SER A 25 -6.559 13.167 -3.409 1.00 15.00 O ATOM 364 CB SER A 25 -5.431 11.536 -1.152 1.00 15.00 C ATOM 365 OG SER A 25 -5.091 10.157 -1.111 1.00 15.00 O ATOM 0 H SER A 25 -7.051 9.647 -1.327 1.00 15.00 H new ATOM 0 HA SER A 25 -7.328 12.523 -0.906 1.00 15.00 H new ATOM 0 HB2 SER A 25 -4.807 12.048 -1.884 1.00 15.00 H new ATOM 0 HB3 SER A 25 -5.228 11.994 -0.184 1.00 15.00 H new ATOM 0 HG SER A 25 -4.143 10.060 -0.881 1.00 15.00 H new ATOM 371 N GLY A 26 -7.734 11.272 -3.745 1.00 15.00 N ATOM 372 CA GLY A 26 -7.942 11.545 -5.153 1.00 15.00 C ATOM 373 C GLY A 26 -6.714 11.251 -5.985 1.00 15.00 C ATOM 374 O GLY A 26 -6.525 11.839 -7.052 1.00 15.00 O ATOM 0 H GLY A 26 -8.147 10.401 -3.413 1.00 15.00 H new ATOM 0 HA2 GLY A 26 -8.776 10.945 -5.517 1.00 15.00 H new ATOM 0 HA3 GLY A 26 -8.222 12.591 -5.280 1.00 15.00 H new ATOM 378 N LEU A 27 -5.870 10.359 -5.491 1.00 15.00 N ATOM 379 CA LEU A 27 -4.655 9.987 -6.196 1.00 15.00 C ATOM 380 C LEU A 27 -4.878 8.690 -6.967 1.00 15.00 C ATOM 381 O LEU A 27 -5.834 7.958 -6.698 1.00 15.00 O ATOM 382 CB LEU A 27 -3.491 9.832 -5.215 1.00 15.00 C ATOM 383 CG LEU A 27 -3.185 11.068 -4.365 1.00 15.00 C ATOM 384 CD1 LEU A 27 -2.094 10.758 -3.352 1.00 15.00 C ATOM 385 CD2 LEU A 27 -2.775 12.234 -5.251 1.00 15.00 C ATOM 0 H LEU A 27 -6.005 9.878 -4.602 1.00 15.00 H new ATOM 0 HA LEU A 27 -4.403 10.778 -6.902 1.00 15.00 H new ATOM 0 HB2 LEU A 27 -3.707 8.997 -4.548 1.00 15.00 H new ATOM 0 HB3 LEU A 27 -2.596 9.567 -5.777 1.00 15.00 H new ATOM 0 HG LEU A 27 -4.088 11.349 -3.824 1.00 15.00 H new ATOM 0 HD11 LEU A 27 -1.888 11.647 -2.756 1.00 15.00 H new ATOM 0 HD12 LEU A 27 -2.423 9.951 -2.698 1.00 15.00 H new ATOM 0 HD13 LEU A 27 -1.187 10.454 -3.875 1.00 15.00 H new ATOM 0 HD21 LEU A 27 -2.561 13.105 -4.631 1.00 15.00 H new ATOM 0 HD22 LEU A 27 -1.884 11.964 -5.818 1.00 15.00 H new ATOM 0 HD23 LEU A 27 -3.586 12.470 -5.940 1.00 15.00 H new ATOM 397 N GLU A 28 -3.998 8.408 -7.917 1.00 15.00 N ATOM 398 CA GLU A 28 -4.113 7.208 -8.733 1.00 15.00 C ATOM 399 C GLU A 28 -3.341 6.055 -8.102 1.00 15.00 C ATOM 400 O GLU A 28 -2.286 6.253 -7.498 1.00 15.00 O ATOM 401 CB GLU A 28 -3.615 7.491 -10.151 1.00 15.00 C ATOM 402 CG GLU A 28 -4.224 8.750 -10.751 1.00 15.00 C ATOM 403 CD GLU A 28 -4.027 8.849 -12.246 1.00 15.00 C ATOM 404 OE1 GLU A 28 -4.880 8.328 -12.997 1.00 15.00 O ATOM 405 OE2 GLU A 28 -3.028 9.457 -12.678 1.00 15.00 O1- ATOM 0 H GLU A 28 -3.195 8.995 -8.142 1.00 15.00 H new ATOM 0 HA GLU A 28 -5.162 6.917 -8.787 1.00 15.00 H new ATOM 0 HB2 GLU A 28 -2.530 7.589 -10.137 1.00 15.00 H new ATOM 0 HB3 GLU A 28 -3.850 6.640 -10.790 1.00 15.00 H new ATOM 0 HG2 GLU A 28 -5.291 8.772 -10.529 1.00 15.00 H new ATOM 0 HG3 GLU A 28 -3.781 9.624 -10.273 1.00 15.00 H new ATOM 412 N CYS A 29 -3.886 4.856 -8.234 1.00 15.00 N ATOM 413 CA CYS A 29 -3.276 3.661 -7.669 1.00 15.00 C ATOM 414 C CYS A 29 -2.433 2.910 -8.699 1.00 15.00 C ATOM 415 O CYS A 29 -2.797 2.816 -9.877 1.00 15.00 O ATOM 416 CB CYS A 29 -4.371 2.746 -7.111 1.00 15.00 C ATOM 417 SG CYS A 29 -3.852 1.040 -6.813 1.00 15.00 S ATOM 0 H CYS A 29 -4.759 4.683 -8.733 1.00 15.00 H new ATOM 0 HA CYS A 29 -2.606 3.969 -6.866 1.00 15.00 H new ATOM 0 HB2 CYS A 29 -4.737 3.169 -6.175 1.00 15.00 H new ATOM 0 HB3 CYS A 29 -5.210 2.740 -7.807 1.00 15.00 H new ATOM 0 HG CYS A 29 -4.811 0.230 -7.149 1.00 15.00 H new ATOM 423 N GLN A 30 -1.306 2.376 -8.238 1.00 15.00 N ATOM 424 CA GLN A 30 -0.398 1.613 -9.083 1.00 15.00 C ATOM 425 C GLN A 30 -0.810 0.144 -9.092 1.00 15.00 C ATOM 426 O GLN A 30 -1.198 -0.405 -8.060 1.00 15.00 O ATOM 427 CB GLN A 30 1.047 1.755 -8.579 1.00 15.00 C ATOM 428 CG GLN A 30 2.033 0.828 -9.280 1.00 15.00 C ATOM 429 CD GLN A 30 3.300 0.594 -8.478 1.00 15.00 C ATOM 430 OE1 GLN A 30 3.783 1.481 -7.775 1.00 15.00 O ATOM 431 NE2 GLN A 30 3.846 -0.610 -8.572 1.00 15.00 N ATOM 0 H GLN A 30 -0.998 2.461 -7.269 1.00 15.00 H new ATOM 0 HA GLN A 30 -0.451 2.003 -10.099 1.00 15.00 H new ATOM 0 HB2 GLN A 30 1.371 2.787 -8.716 1.00 15.00 H new ATOM 0 HB3 GLN A 30 1.071 1.554 -7.508 1.00 15.00 H new ATOM 0 HG2 GLN A 30 1.549 -0.130 -9.472 1.00 15.00 H new ATOM 0 HG3 GLN A 30 2.296 1.252 -10.249 1.00 15.00 H new ATOM 0 HE21 GLN A 30 3.416 -1.320 -9.165 1.00 15.00 H new ATOM 0 HE22 GLN A 30 4.696 -0.827 -8.051 1.00 15.00 H new ATOM 440 N ALA A 31 -0.746 -0.482 -10.261 1.00 15.00 N ATOM 441 CA ALA A 31 -1.108 -1.887 -10.395 1.00 15.00 C ATOM 442 C ALA A 31 -0.186 -2.769 -9.563 1.00 15.00 C ATOM 443 O ALA A 31 1.019 -2.522 -9.485 1.00 15.00 O ATOM 444 CB ALA A 31 -1.080 -2.307 -11.853 1.00 15.00 C ATOM 0 H ALA A 31 -0.447 -0.039 -11.129 1.00 15.00 H new ATOM 0 HA ALA A 31 -2.123 -2.013 -10.019 1.00 15.00 H new ATOM 0 HB1 ALA A 31 -1.353 -3.359 -11.934 1.00 15.00 H new ATOM 0 HB2 ALA A 31 -1.789 -1.704 -12.419 1.00 15.00 H new ATOM 0 HB3 ALA A 31 -0.077 -2.160 -12.255 1.00 15.00 H new ATOM 450 N TRP A 32 -0.758 -3.800 -8.955 1.00 15.00 N ATOM 451 CA TRP A 32 -0.002 -4.725 -8.111 1.00 15.00 C ATOM 452 C TRP A 32 1.053 -5.488 -8.916 1.00 15.00 C ATOM 453 O TRP A 32 2.034 -5.978 -8.362 1.00 15.00 O ATOM 454 CB TRP A 32 -0.953 -5.718 -7.437 1.00 15.00 C ATOM 455 CG TRP A 32 -2.042 -5.061 -6.631 1.00 15.00 C ATOM 456 CD1 TRP A 32 -3.319 -4.787 -7.039 1.00 15.00 C ATOM 457 CD2 TRP A 32 -1.948 -4.599 -5.276 1.00 15.00 C ATOM 458 NE1 TRP A 32 -4.020 -4.180 -6.023 1.00 15.00 N ATOM 459 CE2 TRP A 32 -3.201 -4.057 -4.932 1.00 15.00 C ATOM 460 CE3 TRP A 32 -0.926 -4.595 -4.320 1.00 15.00 C ATOM 461 CZ2 TRP A 32 -3.457 -3.513 -3.676 1.00 15.00 C ATOM 462 CZ3 TRP A 32 -1.182 -4.053 -3.074 1.00 15.00 C ATOM 463 CH2 TRP A 32 -2.441 -3.522 -2.763 1.00 15.00 C ATOM 0 H TRP A 32 -1.751 -4.020 -9.030 1.00 15.00 H new ATOM 0 HA TRP A 32 0.512 -4.136 -7.352 1.00 15.00 H new ATOM 0 HB2 TRP A 32 -1.408 -6.348 -8.201 1.00 15.00 H new ATOM 0 HB3 TRP A 32 -0.377 -6.375 -6.785 1.00 15.00 H new ATOM 0 HD1 TRP A 32 -3.718 -5.014 -8.016 1.00 15.00 H new ATOM 0 HE1 TRP A 32 -4.991 -3.872 -6.074 1.00 15.00 H new ATOM 0 HE3 TRP A 32 0.045 -5.008 -4.551 1.00 15.00 H new ATOM 0 HZ2 TRP A 32 -4.424 -3.099 -3.432 1.00 15.00 H new ATOM 0 HZ3 TRP A 32 -0.400 -4.039 -2.329 1.00 15.00 H new ATOM 0 HH2 TRP A 32 -2.612 -3.111 -1.779 1.00 15.00 H new ATOM 474 N ASP A 33 0.841 -5.589 -10.223 1.00 15.00 N ATOM 475 CA ASP A 33 1.777 -6.297 -11.089 1.00 15.00 C ATOM 476 C ASP A 33 2.723 -5.329 -11.798 1.00 15.00 C ATOM 477 O ASP A 33 3.698 -5.750 -12.422 1.00 15.00 O ATOM 478 CB ASP A 33 1.018 -7.144 -12.113 1.00 15.00 C ATOM 479 CG ASP A 33 0.502 -6.330 -13.281 1.00 15.00 C ATOM 480 OD1 ASP A 33 1.068 -6.452 -14.388 1.00 15.00 O ATOM 481 OD2 ASP A 33 -0.471 -5.570 -13.098 1.00 15.00 O1- ATOM 0 H ASP A 33 0.034 -5.192 -10.705 1.00 15.00 H new ATOM 0 HA ASP A 33 2.380 -6.954 -10.462 1.00 15.00 H new ATOM 0 HB2 ASP A 33 1.675 -7.930 -12.486 1.00 15.00 H new ATOM 0 HB3 ASP A 33 0.179 -7.636 -11.620 1.00 15.00 H new ATOM 486 N SER A 34 2.441 -4.031 -11.698 1.00 15.00 N ATOM 487 CA SER A 34 3.290 -3.022 -12.322 1.00 15.00 C ATOM 488 C SER A 34 4.532 -2.844 -11.463 1.00 15.00 C ATOM 489 O SER A 34 4.456 -2.959 -10.238 1.00 15.00 O ATOM 490 CB SER A 34 2.535 -1.696 -12.471 1.00 15.00 C ATOM 491 OG SER A 34 3.247 -0.781 -13.288 1.00 15.00 O ATOM 0 H SER A 34 1.637 -3.657 -11.194 1.00 15.00 H new ATOM 0 HA SER A 34 3.578 -3.346 -13.322 1.00 15.00 H new ATOM 0 HB2 SER A 34 1.552 -1.883 -12.903 1.00 15.00 H new ATOM 0 HB3 SER A 34 2.372 -1.256 -11.487 1.00 15.00 H new ATOM 0 HG SER A 34 2.739 0.053 -13.365 1.00 15.00 H new ATOM 497 N GLN A 35 5.674 -2.567 -12.076 1.00 15.00 N ATOM 498 CA GLN A 35 6.895 -2.432 -11.304 1.00 15.00 C ATOM 499 C GLN A 35 7.539 -1.054 -11.409 1.00 15.00 C ATOM 500 O GLN A 35 8.671 -0.922 -11.888 1.00 15.00 O ATOM 501 CB GLN A 35 7.900 -3.517 -11.694 1.00 15.00 C ATOM 502 CG GLN A 35 8.819 -3.923 -10.548 1.00 15.00 C ATOM 503 CD GLN A 35 8.062 -4.470 -9.345 1.00 15.00 C ATOM 504 OE1 GLN A 35 6.955 -5.158 -9.594 1.00 15.00 O flip ATOM 505 NE2 GLN A 35 8.477 -4.284 -8.198 1.00 15.00 N flip ATOM 0 H GLN A 35 5.778 -2.434 -13.082 1.00 15.00 H new ATOM 0 HA GLN A 35 6.605 -2.556 -10.261 1.00 15.00 H new ATOM 0 HB2 GLN A 35 7.359 -4.395 -12.046 1.00 15.00 H new ATOM 0 HB3 GLN A 35 8.505 -3.160 -12.528 1.00 15.00 H new ATOM 0 HG2 GLN A 35 9.521 -4.677 -10.902 1.00 15.00 H new ATOM 0 HG3 GLN A 35 9.408 -3.060 -10.238 1.00 15.00 H new ATOM 0 HE21 GLN A 35 9.332 -3.750 -8.046 1.00 15.00 H new ATOM 0 HE22 GLN A 35 7.965 -4.665 -7.402 1.00 15.00 H new ATOM 514 N SER A 36 6.814 -0.022 -10.997 1.00 15.00 N ATOM 515 CA SER A 36 7.375 1.319 -10.948 1.00 15.00 C ATOM 516 C SER A 36 8.366 1.291 -9.787 1.00 15.00 C ATOM 517 O SER A 36 8.265 0.383 -8.954 1.00 15.00 O ATOM 518 CB SER A 36 6.264 2.341 -10.714 1.00 15.00 C ATOM 519 OG SER A 36 5.033 1.873 -11.248 1.00 15.00 O ATOM 0 H SER A 36 5.842 -0.088 -10.694 1.00 15.00 H new ATOM 0 HA SER A 36 7.865 1.606 -11.878 1.00 15.00 H new ATOM 0 HB2 SER A 36 6.155 2.530 -9.646 1.00 15.00 H new ATOM 0 HB3 SER A 36 6.531 3.290 -11.179 1.00 15.00 H new ATOM 0 HG SER A 36 4.332 2.539 -11.088 1.00 15.00 H new ATOM 525 N PRO A 37 9.340 2.209 -9.657 1.00 15.00 N ATOM 526 CA PRO A 37 10.257 2.070 -8.536 1.00 15.00 C ATOM 527 C PRO A 37 9.591 2.419 -7.209 1.00 15.00 C ATOM 528 O PRO A 37 9.469 3.586 -6.821 1.00 15.00 O ATOM 529 CB PRO A 37 11.356 3.084 -8.870 1.00 15.00 C ATOM 530 CG PRO A 37 10.714 4.094 -9.770 1.00 15.00 C ATOM 531 CD PRO A 37 9.623 3.370 -10.517 1.00 15.00 C ATOM 0 HA PRO A 37 10.619 1.049 -8.413 1.00 15.00 H new ATOM 0 HB2 PRO A 37 11.743 3.555 -7.966 1.00 15.00 H new ATOM 0 HB3 PRO A 37 12.199 2.600 -9.363 1.00 15.00 H new ATOM 0 HG2 PRO A 37 10.305 4.923 -9.193 1.00 15.00 H new ATOM 0 HG3 PRO A 37 11.443 4.516 -10.461 1.00 15.00 H new ATOM 0 HD2 PRO A 37 8.741 3.997 -10.650 1.00 15.00 H new ATOM 0 HD3 PRO A 37 9.950 3.065 -11.511 1.00 15.00 H new ATOM 539 N HIS A 38 9.156 1.370 -6.533 1.00 15.00 N ATOM 540 CA HIS A 38 8.550 1.451 -5.222 1.00 15.00 C ATOM 541 C HIS A 38 9.294 0.557 -4.246 1.00 15.00 C ATOM 542 O HIS A 38 10.028 -0.339 -4.667 1.00 15.00 O ATOM 543 CB HIS A 38 7.069 1.069 -5.287 1.00 15.00 C ATOM 544 CG HIS A 38 6.160 2.181 -4.863 1.00 15.00 C ATOM 545 ND1 HIS A 38 5.010 2.541 -5.531 1.00 15.00 N ATOM 546 CD2 HIS A 38 6.265 3.033 -3.816 1.00 15.00 C ATOM 547 CE1 HIS A 38 4.466 3.577 -4.882 1.00 15.00 C ATOM 548 NE2 HIS A 38 5.192 3.915 -3.833 1.00 15.00 N ATOM 0 H HIS A 38 9.217 0.417 -6.892 1.00 15.00 H new ATOM 0 HA HIS A 38 8.617 2.480 -4.870 1.00 15.00 H new ATOM 0 HB2 HIS A 38 6.820 0.772 -6.306 1.00 15.00 H new ATOM 0 HB3 HIS A 38 6.895 0.202 -4.650 1.00 15.00 H new ATOM 0 HD1 HIS A 38 4.639 2.097 -6.371 1.00 15.00 H new ATOM 0 HD2 HIS A 38 7.058 3.028 -3.083 1.00 15.00 H new ATOM 0 HE1 HIS A 38 3.553 4.072 -5.178 1.00 15.00 H new ATOM 556 N ALA A 39 9.102 0.775 -2.960 1.00 15.00 N ATOM 557 CA ALA A 39 9.688 -0.109 -1.969 1.00 15.00 C ATOM 558 C ALA A 39 8.565 -1.000 -1.448 1.00 15.00 C ATOM 559 O ALA A 39 7.634 -0.507 -0.807 1.00 15.00 O ATOM 560 CB ALA A 39 10.318 0.686 -0.835 1.00 15.00 C ATOM 0 H ALA A 39 8.553 1.545 -2.579 1.00 15.00 H new ATOM 0 HA ALA A 39 10.483 -0.709 -2.412 1.00 15.00 H new ATOM 0 HB1 ALA A 39 10.750 0.000 -0.106 1.00 15.00 H new ATOM 0 HB2 ALA A 39 11.101 1.331 -1.234 1.00 15.00 H new ATOM 0 HB3 ALA A 39 9.556 1.297 -0.351 1.00 15.00 H new ATOM 566 N HIS A 40 8.629 -2.299 -1.727 1.00 15.00 N ATOM 567 CA HIS A 40 7.574 -3.216 -1.298 1.00 15.00 C ATOM 568 C HIS A 40 7.943 -4.680 -1.541 1.00 15.00 C ATOM 569 O HIS A 40 9.047 -4.996 -1.985 1.00 15.00 O ATOM 570 CB HIS A 40 6.253 -2.889 -2.021 1.00 15.00 C ATOM 571 CG HIS A 40 6.230 -3.258 -3.478 1.00 15.00 C ATOM 572 ND1 HIS A 40 5.216 -4.027 -3.997 1.00 15.00 N ATOM 573 CD2 HIS A 40 7.100 -2.941 -4.471 1.00 15.00 C ATOM 574 CE1 HIS A 40 5.484 -4.159 -5.286 1.00 15.00 C ATOM 575 NE2 HIS A 40 6.614 -3.519 -5.617 1.00 15.00 N ATOM 0 H HIS A 40 9.391 -2.738 -2.243 1.00 15.00 H new ATOM 0 HA HIS A 40 7.451 -3.078 -0.224 1.00 15.00 H new ATOM 0 HB2 HIS A 40 5.439 -3.408 -1.515 1.00 15.00 H new ATOM 0 HB3 HIS A 40 6.057 -1.821 -1.927 1.00 15.00 H new ATOM 0 HD1 HIS A 40 4.420 -4.416 -3.492 1.00 15.00 H new ATOM 0 HD2 HIS A 40 7.999 -2.350 -4.377 1.00 15.00 H new ATOM 0 HE1 HIS A 40 4.871 -4.712 -5.982 1.00 15.00 H new ATOM 583 N GLY A 41 6.992 -5.556 -1.241 1.00 15.00 N ATOM 584 CA GLY A 41 7.169 -6.980 -1.429 1.00 15.00 C ATOM 585 C GLY A 41 5.826 -7.680 -1.541 1.00 15.00 C ATOM 586 O GLY A 41 5.692 -8.856 -1.201 1.00 15.00 O ATOM 0 H GLY A 41 6.082 -5.295 -0.862 1.00 15.00 H new ATOM 0 HA2 GLY A 41 7.755 -7.162 -2.329 1.00 15.00 H new ATOM 0 HA3 GLY A 41 7.732 -7.395 -0.593 1.00 15.00 H new ATOM 590 N TYR A 42 4.829 -6.950 -2.030 1.00 15.00 N ATOM 591 CA TYR A 42 3.480 -7.489 -2.171 1.00 15.00 C ATOM 592 C TYR A 42 3.256 -8.038 -3.578 1.00 15.00 C ATOM 593 O TYR A 42 2.563 -7.432 -4.389 1.00 15.00 O ATOM 594 CB TYR A 42 2.434 -6.412 -1.860 1.00 15.00 C ATOM 595 CG TYR A 42 2.415 -5.949 -0.417 1.00 15.00 C ATOM 596 CD1 TYR A 42 3.409 -5.118 0.080 1.00 15.00 C ATOM 597 CD2 TYR A 42 1.390 -6.330 0.443 1.00 15.00 C ATOM 598 CE1 TYR A 42 3.385 -4.679 1.389 1.00 15.00 C ATOM 599 CE2 TYR A 42 1.361 -5.897 1.755 1.00 15.00 C ATOM 600 CZ TYR A 42 2.362 -5.071 2.223 1.00 15.00 C ATOM 601 OH TYR A 42 2.339 -4.625 3.524 1.00 15.00 O ATOM 0 H TYR A 42 4.929 -5.982 -2.336 1.00 15.00 H new ATOM 0 HA TYR A 42 3.371 -8.306 -1.458 1.00 15.00 H new ATOM 0 HB2 TYR A 42 2.617 -5.550 -2.502 1.00 15.00 H new ATOM 0 HB3 TYR A 42 1.447 -6.797 -2.117 1.00 15.00 H new ATOM 0 HD1 TYR A 42 4.216 -4.809 -0.568 1.00 15.00 H new ATOM 0 HD2 TYR A 42 0.604 -6.975 0.079 1.00 15.00 H new ATOM 0 HE1 TYR A 42 4.166 -4.030 1.757 1.00 15.00 H new ATOM 0 HE2 TYR A 42 0.559 -6.204 2.410 1.00 15.00 H new ATOM 0 HH TYR A 42 1.446 -4.765 3.902 1.00 15.00 H new ATOM 611 N ILE A 43 3.861 -9.178 -3.860 1.00 15.00 N ATOM 612 CA ILE A 43 3.723 -9.807 -5.168 1.00 15.00 C ATOM 613 C ILE A 43 2.396 -10.560 -5.251 1.00 15.00 C ATOM 614 O ILE A 43 2.059 -11.311 -4.335 1.00 15.00 O ATOM 615 CB ILE A 43 4.891 -10.786 -5.443 1.00 15.00 C ATOM 616 CG1 ILE A 43 6.240 -10.103 -5.186 1.00 15.00 C ATOM 617 CG2 ILE A 43 4.833 -11.319 -6.869 1.00 15.00 C ATOM 618 CD1 ILE A 43 6.512 -8.922 -6.095 1.00 15.00 C ATOM 0 H ILE A 43 4.452 -9.689 -3.204 1.00 15.00 H new ATOM 0 HA ILE A 43 3.745 -9.021 -5.922 1.00 15.00 H new ATOM 0 HB ILE A 43 4.790 -11.628 -4.759 1.00 15.00 H new ATOM 0 HG12 ILE A 43 6.275 -9.767 -4.150 1.00 15.00 H new ATOM 0 HG13 ILE A 43 7.037 -10.836 -5.310 1.00 15.00 H new ATOM 0 HG21 ILE A 43 5.664 -12.004 -7.035 1.00 15.00 H new ATOM 0 HG22 ILE A 43 3.892 -11.847 -7.022 1.00 15.00 H new ATOM 0 HG23 ILE A 43 4.901 -10.488 -7.571 1.00 15.00 H new ATOM 0 HD11 ILE A 43 7.484 -8.492 -5.852 1.00 15.00 H new ATOM 0 HD12 ILE A 43 6.511 -9.254 -7.133 1.00 15.00 H new ATOM 0 HD13 ILE A 43 5.737 -8.169 -5.954 1.00 15.00 H new ATOM 630 N PRO A 44 1.618 -10.356 -6.333 1.00 15.00 N ATOM 631 CA PRO A 44 0.328 -11.032 -6.530 1.00 15.00 C ATOM 632 C PRO A 44 0.435 -12.551 -6.399 1.00 15.00 C ATOM 633 O PRO A 44 -0.500 -13.212 -5.958 1.00 15.00 O ATOM 634 CB PRO A 44 -0.061 -10.651 -7.959 1.00 15.00 C ATOM 635 CG PRO A 44 0.634 -9.365 -8.216 1.00 15.00 C ATOM 636 CD PRO A 44 1.919 -9.422 -7.437 1.00 15.00 C ATOM 0 HA PRO A 44 -0.402 -10.732 -5.778 1.00 15.00 H new ATOM 0 HB2 PRO A 44 0.250 -11.417 -8.670 1.00 15.00 H new ATOM 0 HB3 PRO A 44 -1.141 -10.543 -8.059 1.00 15.00 H new ATOM 0 HG2 PRO A 44 0.829 -9.233 -9.280 1.00 15.00 H new ATOM 0 HG3 PRO A 44 0.022 -8.521 -7.897 1.00 15.00 H new ATOM 0 HD2 PRO A 44 2.744 -9.781 -8.052 1.00 15.00 H new ATOM 0 HD3 PRO A 44 2.205 -8.439 -7.063 1.00 15.00 H new ATOM 644 N SER A 45 1.592 -13.088 -6.771 1.00 15.00 N ATOM 645 CA SER A 45 1.843 -14.523 -6.699 1.00 15.00 C ATOM 646 C SER A 45 1.975 -14.996 -5.248 1.00 15.00 C ATOM 647 O SER A 45 1.978 -16.196 -4.974 1.00 15.00 O ATOM 648 CB SER A 45 3.114 -14.843 -7.481 1.00 15.00 C ATOM 649 OG SER A 45 3.229 -13.981 -8.601 1.00 15.00 O ATOM 0 H SER A 45 2.378 -12.545 -7.129 1.00 15.00 H new ATOM 0 HA SER A 45 0.996 -15.051 -7.136 1.00 15.00 H new ATOM 0 HB2 SER A 45 3.985 -14.731 -6.835 1.00 15.00 H new ATOM 0 HB3 SER A 45 3.094 -15.881 -7.812 1.00 15.00 H new ATOM 0 HG SER A 45 4.048 -14.194 -9.095 1.00 15.00 H new ATOM 655 N LYS A 46 2.085 -14.045 -4.330 1.00 15.00 N ATOM 656 CA LYS A 46 2.210 -14.353 -2.912 1.00 15.00 C ATOM 657 C LYS A 46 0.861 -14.211 -2.213 1.00 15.00 C ATOM 658 O LYS A 46 0.678 -14.686 -1.093 1.00 15.00 O ATOM 659 CB LYS A 46 3.232 -13.425 -2.249 1.00 15.00 C ATOM 660 CG LYS A 46 4.677 -13.763 -2.577 1.00 15.00 C ATOM 661 CD LYS A 46 5.621 -12.609 -2.258 1.00 15.00 C ATOM 662 CE LYS A 46 5.580 -12.223 -0.784 1.00 15.00 C ATOM 663 NZ LYS A 46 6.757 -11.396 -0.400 1.00 15.00 N1+ ATOM 0 H LYS A 46 2.090 -13.048 -4.544 1.00 15.00 H new ATOM 0 HA LYS A 46 2.552 -15.384 -2.819 1.00 15.00 H new ATOM 0 HB2 LYS A 46 3.030 -12.399 -2.558 1.00 15.00 H new ATOM 0 HB3 LYS A 46 3.096 -13.465 -1.168 1.00 15.00 H new ATOM 0 HG2 LYS A 46 4.980 -14.645 -2.013 1.00 15.00 H new ATOM 0 HG3 LYS A 46 4.759 -14.017 -3.634 1.00 15.00 H new ATOM 0 HD2 LYS A 46 6.639 -12.888 -2.531 1.00 15.00 H new ATOM 0 HD3 LYS A 46 5.354 -11.745 -2.866 1.00 15.00 H new ATOM 0 HE2 LYS A 46 4.664 -11.670 -0.578 1.00 15.00 H new ATOM 0 HE3 LYS A 46 5.553 -13.125 -0.172 1.00 15.00 H new ATOM 0 HZ1 LYS A 46 6.816 -11.337 0.637 1.00 15.00 H new ATOM 0 HZ2 LYS A 46 7.624 -11.833 -0.772 1.00 15.00 H new ATOM 0 HZ3 LYS A 46 6.654 -10.440 -0.796 1.00 15.00 H new ATOM 677 N PHE A 47 -0.081 -13.553 -2.880 1.00 15.00 N ATOM 678 CA PHE A 47 -1.414 -13.343 -2.322 1.00 15.00 C ATOM 679 C PHE A 47 -2.502 -13.598 -3.373 1.00 15.00 C ATOM 680 O PHE A 47 -3.294 -12.702 -3.679 1.00 15.00 O ATOM 681 CB PHE A 47 -1.552 -11.910 -1.792 1.00 15.00 C ATOM 682 CG PHE A 47 -0.577 -11.549 -0.703 1.00 15.00 C ATOM 683 CD1 PHE A 47 -0.805 -11.939 0.606 1.00 15.00 C ATOM 684 CD2 PHE A 47 0.568 -10.814 -0.990 1.00 15.00 C ATOM 685 CE1 PHE A 47 0.088 -11.610 1.607 1.00 15.00 C ATOM 686 CE2 PHE A 47 1.465 -10.483 0.011 1.00 15.00 C ATOM 687 CZ PHE A 47 1.222 -10.880 1.310 1.00 15.00 C ATOM 0 H PHE A 47 0.053 -13.155 -3.809 1.00 15.00 H new ATOM 0 HA PHE A 47 -1.543 -14.051 -1.503 1.00 15.00 H new ATOM 0 HB2 PHE A 47 -1.423 -11.215 -2.622 1.00 15.00 H new ATOM 0 HB3 PHE A 47 -2.565 -11.772 -1.415 1.00 15.00 H new ATOM 0 HD1 PHE A 47 -1.691 -12.507 0.847 1.00 15.00 H new ATOM 0 HD2 PHE A 47 0.760 -10.498 -2.005 1.00 15.00 H new ATOM 0 HE1 PHE A 47 -0.101 -11.924 2.623 1.00 15.00 H new ATOM 0 HE2 PHE A 47 2.353 -9.915 -0.224 1.00 15.00 H new ATOM 0 HZ PHE A 47 1.918 -10.620 2.094 1.00 15.00 H new ATOM 697 N PRO A 48 -2.580 -14.819 -3.932 1.00 15.00 N ATOM 698 CA PRO A 48 -3.586 -15.143 -4.948 1.00 15.00 C ATOM 699 C PRO A 48 -4.984 -15.268 -4.348 1.00 15.00 C ATOM 700 O PRO A 48 -5.989 -15.075 -5.030 1.00 15.00 O ATOM 701 CB PRO A 48 -3.113 -16.490 -5.497 1.00 15.00 C ATOM 702 CG PRO A 48 -2.338 -17.111 -4.390 1.00 15.00 C ATOM 703 CD PRO A 48 -1.715 -15.976 -3.621 1.00 15.00 C ATOM 0 HA PRO A 48 -3.669 -14.367 -5.709 1.00 15.00 H new ATOM 0 HB2 PRO A 48 -3.957 -17.116 -5.786 1.00 15.00 H new ATOM 0 HB3 PRO A 48 -2.495 -16.358 -6.385 1.00 15.00 H new ATOM 0 HG2 PRO A 48 -2.987 -17.706 -3.747 1.00 15.00 H new ATOM 0 HG3 PRO A 48 -1.573 -17.782 -4.780 1.00 15.00 H new ATOM 0 HD2 PRO A 48 -1.694 -16.183 -2.551 1.00 15.00 H new ATOM 0 HD3 PRO A 48 -0.685 -15.800 -3.932 1.00 15.00 H new ATOM 711 N ASN A 49 -5.034 -15.566 -3.055 1.00 15.00 N ATOM 712 CA ASN A 49 -6.298 -15.731 -2.342 1.00 15.00 C ATOM 713 C ASN A 49 -6.933 -14.386 -2.018 1.00 15.00 C ATOM 714 O ASN A 49 -8.091 -14.317 -1.615 1.00 15.00 O ATOM 715 CB ASN A 49 -6.096 -16.530 -1.048 1.00 15.00 C ATOM 716 CG ASN A 49 -5.150 -15.863 -0.062 1.00 15.00 C ATOM 717 OD1 ASN A 49 -4.153 -15.248 -0.450 1.00 15.00 O ATOM 718 ND2 ASN A 49 -5.463 -15.964 1.222 1.00 15.00 N ATOM 0 H ASN A 49 -4.207 -15.700 -2.473 1.00 15.00 H new ATOM 0 HA ASN A 49 -6.970 -16.282 -3.000 1.00 15.00 H new ATOM 0 HB2 ASN A 49 -7.063 -16.678 -0.567 1.00 15.00 H new ATOM 0 HB3 ASN A 49 -5.710 -17.518 -1.298 1.00 15.00 H new ATOM 0 HD21 ASN A 49 -4.871 -15.525 1.927 1.00 15.00 H new ATOM 0 HD22 ASN A 49 -6.296 -16.481 1.505 1.00 15.00 H new ATOM 725 N LYS A 50 -6.167 -13.318 -2.184 1.00 15.00 N ATOM 726 CA LYS A 50 -6.670 -11.975 -1.920 1.00 15.00 C ATOM 727 C LYS A 50 -7.106 -11.316 -3.224 1.00 15.00 C ATOM 728 O LYS A 50 -7.492 -10.147 -3.246 1.00 15.00 O ATOM 729 CB LYS A 50 -5.603 -11.124 -1.218 1.00 15.00 C ATOM 730 CG LYS A 50 -5.112 -11.710 0.100 1.00 15.00 C ATOM 731 CD LYS A 50 -6.260 -11.987 1.061 1.00 15.00 C ATOM 732 CE LYS A 50 -5.755 -12.528 2.388 1.00 15.00 C ATOM 733 NZ LYS A 50 -6.856 -13.094 3.210 1.00 15.00 N1+ ATOM 0 H LYS A 50 -5.198 -13.353 -2.499 1.00 15.00 H new ATOM 0 HA LYS A 50 -7.533 -12.050 -1.258 1.00 15.00 H new ATOM 0 HB2 LYS A 50 -4.752 -11.001 -1.888 1.00 15.00 H new ATOM 0 HB3 LYS A 50 -6.010 -10.130 -1.033 1.00 15.00 H new ATOM 0 HG2 LYS A 50 -4.570 -12.635 -0.094 1.00 15.00 H new ATOM 0 HG3 LYS A 50 -4.408 -11.019 0.565 1.00 15.00 H new ATOM 0 HD2 LYS A 50 -6.823 -11.069 1.231 1.00 15.00 H new ATOM 0 HD3 LYS A 50 -6.947 -12.704 0.612 1.00 15.00 H new ATOM 0 HE2 LYS A 50 -5.006 -13.298 2.205 1.00 15.00 H new ATOM 0 HE3 LYS A 50 -5.262 -11.729 2.942 1.00 15.00 H new ATOM 0 HZ1 LYS A 50 -6.514 -13.265 4.177 1.00 15.00 H new ATOM 0 HZ2 LYS A 50 -7.650 -12.423 3.237 1.00 15.00 H new ATOM 0 HZ3 LYS A 50 -7.175 -13.991 2.792 1.00 15.00 H new ATOM 747 N ASN A 51 -7.028 -12.095 -4.306 1.00 15.00 N ATOM 748 CA ASN A 51 -7.408 -11.650 -5.648 1.00 15.00 C ATOM 749 C ASN A 51 -6.715 -10.345 -6.034 1.00 15.00 C ATOM 750 O ASN A 51 -7.366 -9.322 -6.272 1.00 15.00 O ATOM 751 CB ASN A 51 -8.929 -11.500 -5.768 1.00 15.00 C ATOM 752 CG ASN A 51 -9.390 -11.536 -7.216 1.00 15.00 C ATOM 753 OD1 ASN A 51 -8.766 -12.178 -8.063 1.00 15.00 O ATOM 754 ND2 ASN A 51 -10.491 -10.861 -7.509 1.00 15.00 N ATOM 0 H ASN A 51 -6.697 -13.059 -4.274 1.00 15.00 H new ATOM 0 HA ASN A 51 -7.077 -12.421 -6.344 1.00 15.00 H new ATOM 0 HB2 ASN A 51 -9.418 -12.300 -5.212 1.00 15.00 H new ATOM 0 HB3 ASN A 51 -9.238 -10.559 -5.312 1.00 15.00 H new ATOM 0 HD21 ASN A 51 -10.850 -10.861 -8.464 1.00 15.00 H new ATOM 0 HD22 ASN A 51 -10.980 -10.341 -6.780 1.00 15.00 H new ATOM 761 N LEU A 52 -5.389 -10.381 -6.084 1.00 15.00 N ATOM 762 CA LEU A 52 -4.619 -9.208 -6.460 1.00 15.00 C ATOM 763 C LEU A 52 -4.530 -9.123 -7.976 1.00 15.00 C ATOM 764 O LEU A 52 -3.846 -9.927 -8.609 1.00 15.00 O ATOM 765 CB LEU A 52 -3.208 -9.268 -5.858 1.00 15.00 C ATOM 766 CG LEU A 52 -2.980 -8.406 -4.612 1.00 15.00 C ATOM 767 CD1 LEU A 52 -3.857 -8.877 -3.463 1.00 15.00 C ATOM 768 CD2 LEU A 52 -1.512 -8.432 -4.210 1.00 15.00 C ATOM 0 H LEU A 52 -4.829 -11.206 -5.870 1.00 15.00 H new ATOM 0 HA LEU A 52 -5.121 -8.321 -6.072 1.00 15.00 H new ATOM 0 HB2 LEU A 52 -2.984 -10.305 -5.606 1.00 15.00 H new ATOM 0 HB3 LEU A 52 -2.493 -8.964 -6.623 1.00 15.00 H new ATOM 0 HG LEU A 52 -3.256 -7.379 -4.851 1.00 15.00 H new ATOM 0 HD11 LEU A 52 -3.679 -8.251 -2.589 1.00 15.00 H new ATOM 0 HD12 LEU A 52 -4.905 -8.806 -3.753 1.00 15.00 H new ATOM 0 HD13 LEU A 52 -3.617 -9.913 -3.223 1.00 15.00 H new ATOM 0 HD21 LEU A 52 -1.367 -7.815 -3.323 1.00 15.00 H new ATOM 0 HD22 LEU A 52 -1.213 -9.457 -3.992 1.00 15.00 H new ATOM 0 HD23 LEU A 52 -0.904 -8.043 -5.027 1.00 15.00 H new ATOM 780 N LYS A 53 -5.223 -8.146 -8.550 1.00 15.00 N ATOM 781 CA LYS A 53 -5.240 -7.956 -10.000 1.00 15.00 C ATOM 782 C LYS A 53 -5.345 -6.475 -10.339 1.00 15.00 C ATOM 783 O LYS A 53 -5.959 -5.705 -9.589 1.00 15.00 O ATOM 784 CB LYS A 53 -6.433 -8.686 -10.646 1.00 15.00 C ATOM 785 CG LYS A 53 -6.590 -10.144 -10.235 1.00 15.00 C ATOM 786 CD LYS A 53 -5.567 -11.042 -10.914 1.00 15.00 C ATOM 787 CE LYS A 53 -5.563 -12.432 -10.298 1.00 15.00 C ATOM 788 NZ LYS A 53 -4.409 -13.240 -10.764 1.00 15.00 N1+ ATOM 0 H LYS A 53 -5.784 -7.469 -8.032 1.00 15.00 H new ATOM 0 HA LYS A 53 -4.310 -8.368 -10.391 1.00 15.00 H new ATOM 0 HB2 LYS A 53 -7.348 -8.151 -10.392 1.00 15.00 H new ATOM 0 HB3 LYS A 53 -6.326 -8.638 -11.730 1.00 15.00 H new ATOM 0 HG2 LYS A 53 -6.485 -10.229 -9.153 1.00 15.00 H new ATOM 0 HG3 LYS A 53 -7.594 -10.485 -10.486 1.00 15.00 H new ATOM 0 HD2 LYS A 53 -5.791 -11.113 -11.978 1.00 15.00 H new ATOM 0 HD3 LYS A 53 -4.575 -10.599 -10.826 1.00 15.00 H new ATOM 0 HE2 LYS A 53 -5.532 -12.348 -9.212 1.00 15.00 H new ATOM 0 HE3 LYS A 53 -6.491 -12.944 -10.552 1.00 15.00 H new ATOM 0 HZ1 LYS A 53 -4.442 -14.181 -10.321 1.00 15.00 H new ATOM 0 HZ2 LYS A 53 -4.452 -13.342 -11.798 1.00 15.00 H new ATOM 0 HZ3 LYS A 53 -3.523 -12.764 -10.500 1.00 15.00 H new ATOM 802 N LYS A 54 -4.757 -6.089 -11.471 1.00 15.00 N ATOM 803 CA LYS A 54 -4.791 -4.704 -11.947 1.00 15.00 C ATOM 804 C LYS A 54 -4.335 -3.732 -10.858 1.00 15.00 C ATOM 805 O LYS A 54 -3.409 -4.020 -10.099 1.00 15.00 O ATOM 806 CB LYS A 54 -6.207 -4.341 -12.419 1.00 15.00 C ATOM 807 CG LYS A 54 -6.874 -5.408 -13.277 1.00 15.00 C ATOM 808 CD LYS A 54 -6.243 -5.505 -14.657 1.00 15.00 C ATOM 809 CE LYS A 54 -6.979 -6.511 -15.528 1.00 15.00 C ATOM 810 NZ LYS A 54 -6.344 -6.665 -16.862 1.00 15.00 N1+ ATOM 0 H LYS A 54 -4.245 -6.724 -12.083 1.00 15.00 H new ATOM 0 HA LYS A 54 -4.101 -4.619 -12.786 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -6.831 -4.151 -11.546 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -6.161 -3.411 -12.986 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -6.801 -6.374 -12.776 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -7.935 -5.181 -13.379 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -6.257 -4.526 -15.136 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.197 -5.798 -14.562 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -7.002 -7.477 -15.024 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -8.014 -6.192 -15.654 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.878 -7.360 -17.422 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -6.344 -5.749 -17.354 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -5.365 -6.994 -16.744 1.00 15.00 H new ATOM 824 N ASN A 55 -4.982 -2.575 -10.794 1.00 15.00 N ATOM 825 CA ASN A 55 -4.658 -1.562 -9.798 1.00 15.00 C ATOM 826 C ASN A 55 -5.864 -1.294 -8.907 1.00 15.00 C ATOM 827 O ASN A 55 -6.033 -0.195 -8.379 1.00 15.00 O ATOM 828 CB ASN A 55 -4.182 -0.267 -10.476 1.00 15.00 C ATOM 829 CG ASN A 55 -5.270 0.464 -11.247 1.00 15.00 C ATOM 830 OD1 ASN A 55 -6.230 -0.137 -11.725 1.00 15.00 O ATOM 831 ND2 ASN A 55 -5.115 1.774 -11.382 1.00 15.00 N ATOM 0 H ASN A 55 -5.740 -2.314 -11.425 1.00 15.00 H new ATOM 0 HA ASN A 55 -3.845 -1.935 -9.175 1.00 15.00 H new ATOM 0 HB2 ASN A 55 -3.778 0.402 -9.716 1.00 15.00 H new ATOM 0 HB3 ASN A 55 -3.365 -0.505 -11.158 1.00 15.00 H new ATOM 0 HD21 ASN A 55 -5.806 2.319 -11.897 1.00 15.00 H new ATOM 0 HD22 ASN A 55 -4.304 2.237 -10.971 1.00 15.00 H new ATOM 838 N TYR A 56 -6.699 -2.313 -8.740 1.00 15.00 N ATOM 839 CA TYR A 56 -7.887 -2.191 -7.909 1.00 15.00 C ATOM 840 C TYR A 56 -7.514 -2.281 -6.434 1.00 15.00 C ATOM 841 O TYR A 56 -6.642 -3.070 -6.052 1.00 15.00 O ATOM 842 CB TYR A 56 -8.905 -3.280 -8.258 1.00 15.00 C ATOM 843 CG TYR A 56 -9.518 -3.132 -9.633 1.00 15.00 C ATOM 844 CD1 TYR A 56 -9.429 -4.154 -10.569 1.00 15.00 C ATOM 845 CD2 TYR A 56 -10.184 -1.966 -9.998 1.00 15.00 C ATOM 846 CE1 TYR A 56 -9.983 -4.019 -11.828 1.00 15.00 C ATOM 847 CE2 TYR A 56 -10.744 -1.824 -11.254 1.00 15.00 C ATOM 848 CZ TYR A 56 -10.640 -2.852 -12.166 1.00 15.00 C ATOM 849 OH TYR A 56 -11.191 -2.713 -13.420 1.00 15.00 O ATOM 0 H TYR A 56 -6.574 -3.230 -9.169 1.00 15.00 H new ATOM 0 HA TYR A 56 -8.339 -1.218 -8.101 1.00 15.00 H new ATOM 0 HB2 TYR A 56 -8.418 -4.253 -8.191 1.00 15.00 H new ATOM 0 HB3 TYR A 56 -9.701 -3.271 -7.514 1.00 15.00 H new ATOM 0 HD1 TYR A 56 -8.918 -5.069 -10.309 1.00 15.00 H new ATOM 0 HD2 TYR A 56 -10.265 -1.157 -9.287 1.00 15.00 H new ATOM 0 HE1 TYR A 56 -9.902 -4.823 -12.545 1.00 15.00 H new ATOM 0 HE2 TYR A 56 -11.260 -0.913 -11.519 1.00 15.00 H new ATOM 0 HH TYR A 56 -11.617 -1.834 -13.494 1.00 15.00 H new ATOM 859 N CYS A 57 -8.166 -1.459 -5.619 1.00 15.00 N ATOM 860 CA CYS A 57 -7.918 -1.434 -4.183 1.00 15.00 C ATOM 861 C CYS A 57 -8.221 -2.793 -3.556 1.00 15.00 C ATOM 862 O CYS A 57 -9.292 -3.371 -3.777 1.00 15.00 O ATOM 863 CB CYS A 57 -8.770 -0.350 -3.523 1.00 15.00 C ATOM 864 SG CYS A 57 -8.230 0.104 -1.858 1.00 15.00 S ATOM 0 H CYS A 57 -8.876 -0.797 -5.932 1.00 15.00 H new ATOM 0 HA CYS A 57 -6.864 -1.209 -4.020 1.00 15.00 H new ATOM 0 HB2 CYS A 57 -8.758 0.540 -4.152 1.00 15.00 H new ATOM 0 HB3 CYS A 57 -9.803 -0.693 -3.477 1.00 15.00 H new ATOM 0 HG CYS A 57 -7.088 -0.463 -1.602 1.00 15.00 H new ATOM 870 N ARG A 58 -7.275 -3.297 -2.776 1.00 15.00 N ATOM 871 CA ARG A 58 -7.420 -4.587 -2.122 1.00 15.00 C ATOM 872 C ARG A 58 -6.984 -4.482 -0.671 1.00 15.00 C ATOM 873 O ARG A 58 -6.357 -3.499 -0.275 1.00 15.00 O ATOM 874 CB ARG A 58 -6.569 -5.654 -2.830 1.00 15.00 C ATOM 875 CG ARG A 58 -7.047 -6.012 -4.231 1.00 15.00 C ATOM 876 CD ARG A 58 -8.365 -6.762 -4.196 1.00 15.00 C ATOM 877 NE ARG A 58 -9.442 -6.003 -4.830 1.00 15.00 N ATOM 878 CZ ARG A 58 -10.046 -6.360 -5.964 1.00 15.00 C ATOM 879 NH1 ARG A 58 -9.687 -7.478 -6.594 1.00 15.00 N1+ ATOM 880 NH2 ARG A 58 -11.004 -5.592 -6.477 1.00 15.00 N ATOM 0 H ARG A 58 -6.392 -2.826 -2.580 1.00 15.00 H new ATOM 0 HA ARG A 58 -8.469 -4.880 -2.172 1.00 15.00 H new ATOM 0 HB2 ARG A 58 -5.540 -5.300 -2.890 1.00 15.00 H new ATOM 0 HB3 ARG A 58 -6.560 -6.558 -2.220 1.00 15.00 H new ATOM 0 HG2 ARG A 58 -7.161 -5.102 -4.821 1.00 15.00 H new ATOM 0 HG3 ARG A 58 -6.293 -6.622 -4.728 1.00 15.00 H new ATOM 0 HD2 ARG A 58 -8.250 -7.721 -4.702 1.00 15.00 H new ATOM 0 HD3 ARG A 58 -8.633 -6.977 -3.162 1.00 15.00 H new ATOM 0 HE ARG A 58 -9.752 -5.144 -4.375 1.00 15.00 H new ATOM 0 HH11 ARG A 58 -8.947 -8.065 -6.209 1.00 15.00 H new ATOM 0 HH12 ARG A 58 -10.152 -7.747 -7.461 1.00 15.00 H new ATOM 0 HH21 ARG A 58 -11.276 -4.731 -6.003 1.00 15.00 H new ATOM 0 HH22 ARG A 58 -11.466 -5.864 -7.344 1.00 15.00 H new ATOM 894 N ASN A 59 -7.317 -5.491 0.116 1.00 15.00 N ATOM 895 CA ASN A 59 -6.936 -5.519 1.520 1.00 15.00 C ATOM 896 C ASN A 59 -6.219 -6.829 1.831 1.00 15.00 C ATOM 897 O ASN A 59 -6.791 -7.737 2.429 1.00 15.00 O ATOM 898 CB ASN A 59 -8.161 -5.358 2.427 1.00 15.00 C ATOM 899 CG ASN A 59 -7.787 -5.058 3.870 1.00 15.00 C ATOM 900 OD1 ASN A 59 -6.688 -5.375 4.323 1.00 15.00 O ATOM 901 ND2 ASN A 59 -8.707 -4.455 4.605 1.00 15.00 N ATOM 0 H ASN A 59 -7.851 -6.303 -0.193 1.00 15.00 H new ATOM 0 HA ASN A 59 -6.263 -4.683 1.713 1.00 15.00 H new ATOM 0 HB2 ASN A 59 -8.789 -4.553 2.044 1.00 15.00 H new ATOM 0 HB3 ASN A 59 -8.756 -6.271 2.392 1.00 15.00 H new ATOM 0 HD21 ASN A 59 -8.516 -4.237 5.583 1.00 15.00 H new ATOM 0 HD22 ASN A 59 -9.607 -4.208 4.194 1.00 15.00 H new ATOM 908 N PRO A 60 -4.949 -6.953 1.408 1.00 15.00 N ATOM 909 CA PRO A 60 -4.158 -8.150 1.639 1.00 15.00 C ATOM 910 C PRO A 60 -3.431 -8.096 2.976 1.00 15.00 C ATOM 911 O PRO A 60 -2.786 -9.064 3.389 1.00 15.00 O ATOM 912 CB PRO A 60 -3.158 -8.141 0.478 1.00 15.00 C ATOM 913 CG PRO A 60 -3.191 -6.760 -0.114 1.00 15.00 C ATOM 914 CD PRO A 60 -4.177 -5.941 0.680 1.00 15.00 C ATOM 0 HA PRO A 60 -4.769 -9.052 1.679 1.00 15.00 H new ATOM 0 HB2 PRO A 60 -2.156 -8.387 0.829 1.00 15.00 H new ATOM 0 HB3 PRO A 60 -3.426 -8.888 -0.269 1.00 15.00 H new ATOM 0 HG2 PRO A 60 -2.201 -6.306 -0.078 1.00 15.00 H new ATOM 0 HG3 PRO A 60 -3.485 -6.801 -1.163 1.00 15.00 H new ATOM 0 HD2 PRO A 60 -3.673 -5.254 1.360 1.00 15.00 H new ATOM 0 HD3 PRO A 60 -4.814 -5.339 0.032 1.00 15.00 H new ATOM 922 N ASP A 61 -3.549 -6.956 3.646 1.00 15.00 N ATOM 923 CA ASP A 61 -2.906 -6.746 4.936 1.00 15.00 C ATOM 924 C ASP A 61 -3.849 -7.140 6.064 1.00 15.00 C ATOM 925 O ASP A 61 -3.410 -7.472 7.167 1.00 15.00 O ATOM 926 CB ASP A 61 -2.491 -5.281 5.086 1.00 15.00 C ATOM 927 CG ASP A 61 -1.096 -5.125 5.655 1.00 15.00 C ATOM 928 OD1 ASP A 61 -0.953 -5.118 6.898 1.00 15.00 O ATOM 929 OD2 ASP A 61 -0.138 -5.016 4.857 1.00 15.00 O1- ATOM 0 H ASP A 61 -4.089 -6.157 3.313 1.00 15.00 H new ATOM 0 HA ASP A 61 -2.015 -7.372 4.988 1.00 15.00 H new ATOM 0 HB2 ASP A 61 -2.539 -4.792 4.113 1.00 15.00 H new ATOM 0 HB3 ASP A 61 -3.203 -4.770 5.734 1.00 15.00 H new ATOM 934 N ARG A 62 -5.147 -7.123 5.763 1.00 15.00 N ATOM 935 CA ARG A 62 -6.190 -7.459 6.730 1.00 15.00 C ATOM 936 C ARG A 62 -6.214 -6.426 7.847 1.00 15.00 C ATOM 937 O ARG A 62 -6.453 -6.746 9.017 1.00 15.00 O ATOM 938 CB ARG A 62 -5.996 -8.866 7.300 1.00 15.00 C ATOM 939 CG ARG A 62 -5.993 -9.952 6.241 1.00 15.00 C ATOM 940 CD ARG A 62 -6.640 -11.228 6.752 1.00 15.00 C ATOM 941 NE ARG A 62 -6.005 -11.721 7.977 1.00 15.00 N ATOM 942 CZ ARG A 62 -6.576 -11.685 9.183 1.00 15.00 C ATOM 943 NH1 ARG A 62 -7.793 -11.175 9.340 1.00 15.00 N1+ ATOM 944 NH2 ARG A 62 -5.926 -12.152 10.239 1.00 15.00 N ATOM 0 H ARG A 62 -5.505 -6.875 4.840 1.00 15.00 H new ATOM 0 HA ARG A 62 -7.149 -7.447 6.213 1.00 15.00 H new ATOM 0 HB2 ARG A 62 -5.054 -8.901 7.848 1.00 15.00 H new ATOM 0 HB3 ARG A 62 -6.790 -9.071 8.018 1.00 15.00 H new ATOM 0 HG2 ARG A 62 -6.526 -9.601 5.357 1.00 15.00 H new ATOM 0 HG3 ARG A 62 -4.968 -10.160 5.934 1.00 15.00 H new ATOM 0 HD2 ARG A 62 -7.698 -11.046 6.942 1.00 15.00 H new ATOM 0 HD3 ARG A 62 -6.582 -11.996 5.981 1.00 15.00 H new ATOM 0 HE ARG A 62 -5.068 -12.117 7.904 1.00 15.00 H new ATOM 0 HH11 ARG A 62 -8.299 -10.807 8.535 1.00 15.00 H new ATOM 0 HH12 ARG A 62 -8.221 -11.152 10.266 1.00 15.00 H new ATOM 0 HH21 ARG A 62 -4.989 -12.539 10.131 1.00 15.00 H new ATOM 0 HH22 ARG A 62 -6.363 -12.124 11.160 1.00 15.00 H new ATOM 958 N ASP A 63 -5.955 -5.189 7.465 1.00 15.00 N ATOM 959 CA ASP A 63 -5.942 -4.071 8.393 1.00 15.00 C ATOM 960 C ASP A 63 -7.337 -3.456 8.496 1.00 15.00 C ATOM 961 O ASP A 63 -8.312 -4.047 8.026 1.00 15.00 O ATOM 962 CB ASP A 63 -4.906 -3.031 7.966 1.00 15.00 C ATOM 963 CG ASP A 63 -5.385 -2.142 6.842 1.00 15.00 C ATOM 964 OD1 ASP A 63 -5.832 -1.009 7.130 1.00 15.00 O ATOM 965 OD2 ASP A 63 -5.306 -2.576 5.678 1.00 15.00 O1- ATOM 0 H ASP A 63 -5.747 -4.930 6.501 1.00 15.00 H new ATOM 0 HA ASP A 63 -5.658 -4.435 9.381 1.00 15.00 H new ATOM 0 HB2 ASP A 63 -4.646 -2.412 8.825 1.00 15.00 H new ATOM 0 HB3 ASP A 63 -3.995 -3.542 7.654 1.00 15.00 H new ATOM 970 N LEU A 64 -7.432 -2.297 9.138 1.00 15.00 N ATOM 971 CA LEU A 64 -8.705 -1.608 9.337 1.00 15.00 C ATOM 972 C LEU A 64 -9.518 -1.472 8.045 1.00 15.00 C ATOM 973 O LEU A 64 -10.713 -1.766 8.036 1.00 15.00 O ATOM 974 CB LEU A 64 -8.462 -0.219 9.931 1.00 15.00 C ATOM 975 CG LEU A 64 -8.174 -0.191 11.432 1.00 15.00 C ATOM 976 CD1 LEU A 64 -7.753 1.203 11.866 1.00 15.00 C ATOM 977 CD2 LEU A 64 -9.394 -0.644 12.218 1.00 15.00 C ATOM 0 H LEU A 64 -6.630 -1.808 9.536 1.00 15.00 H new ATOM 0 HA LEU A 64 -9.287 -2.220 10.026 1.00 15.00 H new ATOM 0 HB2 LEU A 64 -7.623 0.240 9.408 1.00 15.00 H new ATOM 0 HB3 LEU A 64 -9.337 0.400 9.734 1.00 15.00 H new ATOM 0 HG LEU A 64 -7.355 -0.881 11.638 1.00 15.00 H new ATOM 0 HD11 LEU A 64 -7.552 1.205 12.937 1.00 15.00 H new ATOM 0 HD12 LEU A 64 -6.852 1.495 11.327 1.00 15.00 H new ATOM 0 HD13 LEU A 64 -8.553 1.910 11.646 1.00 15.00 H new ATOM 0 HD21 LEU A 64 -9.170 -0.618 13.284 1.00 15.00 H new ATOM 0 HD22 LEU A 64 -10.231 0.021 12.006 1.00 15.00 H new ATOM 0 HD23 LEU A 64 -9.657 -1.661 11.928 1.00 15.00 H new ATOM 989 N ARG A 65 -8.883 -1.049 6.955 1.00 15.00 N ATOM 990 CA ARG A 65 -9.599 -0.882 5.691 1.00 15.00 C ATOM 991 C ARG A 65 -8.658 -0.968 4.492 1.00 15.00 C ATOM 992 O ARG A 65 -7.467 -0.695 4.612 1.00 15.00 O ATOM 993 CB ARG A 65 -10.360 0.447 5.675 1.00 15.00 C ATOM 994 CG ARG A 65 -9.500 1.666 5.961 1.00 15.00 C ATOM 995 CD ARG A 65 -10.317 2.937 5.856 1.00 15.00 C ATOM 996 NE ARG A 65 -9.594 4.101 6.363 1.00 15.00 N ATOM 997 CZ ARG A 65 -10.046 5.350 6.261 1.00 15.00 C ATOM 998 NH1 ARG A 65 -11.219 5.586 5.682 1.00 15.00 N1+ ATOM 999 NH2 ARG A 65 -9.334 6.359 6.749 1.00 15.00 N ATOM 0 H ARG A 65 -7.890 -0.819 6.919 1.00 15.00 H new ATOM 0 HA ARG A 65 -10.314 -1.701 5.611 1.00 15.00 H new ATOM 0 HB2 ARG A 65 -10.831 0.570 4.700 1.00 15.00 H new ATOM 0 HB3 ARG A 65 -11.161 0.402 6.412 1.00 15.00 H new ATOM 0 HG2 ARG A 65 -9.069 1.587 6.959 1.00 15.00 H new ATOM 0 HG3 ARG A 65 -8.669 1.703 5.257 1.00 15.00 H new ATOM 0 HD2 ARG A 65 -10.590 3.106 4.814 1.00 15.00 H new ATOM 0 HD3 ARG A 65 -11.246 2.817 6.414 1.00 15.00 H new ATOM 0 HE ARG A 65 -8.695 3.949 6.820 1.00 15.00 H new ATOM 0 HH11 ARG A 65 -11.772 4.811 5.316 1.00 15.00 H new ATOM 0 HH12 ARG A 65 -11.566 6.542 5.604 1.00 15.00 H new ATOM 0 HH21 ARG A 65 -8.439 6.179 7.203 1.00 15.00 H new ATOM 0 HH22 ARG A 65 -9.682 7.314 6.670 1.00 15.00 H new ATOM 1013 N PRO A 66 -9.201 -1.329 3.309 1.00 15.00 N ATOM 1014 CA PRO A 66 -8.413 -1.471 2.079 1.00 15.00 C ATOM 1015 C PRO A 66 -7.641 -0.212 1.696 1.00 15.00 C ATOM 1016 O PRO A 66 -8.109 0.918 1.880 1.00 15.00 O ATOM 1017 CB PRO A 66 -9.460 -1.786 1.008 1.00 15.00 C ATOM 1018 CG PRO A 66 -10.639 -2.306 1.746 1.00 15.00 C ATOM 1019 CD PRO A 66 -10.630 -1.614 3.077 1.00 15.00 C ATOM 0 HA PRO A 66 -7.648 -2.238 2.200 1.00 15.00 H new ATOM 0 HB2 PRO A 66 -9.717 -0.894 0.436 1.00 15.00 H new ATOM 0 HB3 PRO A 66 -9.085 -2.523 0.298 1.00 15.00 H new ATOM 0 HG2 PRO A 66 -11.562 -2.098 1.204 1.00 15.00 H new ATOM 0 HG3 PRO A 66 -10.578 -3.387 1.868 1.00 15.00 H new ATOM 0 HD2 PRO A 66 -11.223 -0.700 3.058 1.00 15.00 H new ATOM 0 HD3 PRO A 66 -11.045 -2.247 3.861 1.00 15.00 H new ATOM 1027 N TRP A 67 -6.455 -0.427 1.151 1.00 15.00 N ATOM 1028 CA TRP A 67 -5.585 0.647 0.715 1.00 15.00 C ATOM 1029 C TRP A 67 -4.934 0.266 -0.610 1.00 15.00 C ATOM 1030 O TRP A 67 -5.244 -0.790 -1.173 1.00 15.00 O ATOM 1031 CB TRP A 67 -4.517 0.945 1.775 1.00 15.00 C ATOM 1032 CG TRP A 67 -3.802 -0.272 2.286 1.00 15.00 C ATOM 1033 CD1 TRP A 67 -4.213 -1.091 3.292 1.00 15.00 C ATOM 1034 CD2 TRP A 67 -2.546 -0.794 1.828 1.00 15.00 C ATOM 1035 NE1 TRP A 67 -3.302 -2.099 3.482 1.00 15.00 N ATOM 1036 CE2 TRP A 67 -2.268 -1.939 2.594 1.00 15.00 C ATOM 1037 CE3 TRP A 67 -1.636 -0.408 0.839 1.00 15.00 C ATOM 1038 CZ2 TRP A 67 -1.119 -2.703 2.403 1.00 15.00 C ATOM 1039 CZ3 TRP A 67 -0.492 -1.165 0.653 1.00 15.00 C ATOM 1040 CH2 TRP A 67 -0.245 -2.300 1.431 1.00 15.00 C ATOM 0 H TRP A 67 -6.068 -1.359 0.999 1.00 15.00 H new ATOM 0 HA TRP A 67 -6.178 1.551 0.576 1.00 15.00 H new ATOM 0 HB2 TRP A 67 -3.784 1.633 1.353 1.00 15.00 H new ATOM 0 HB3 TRP A 67 -4.987 1.456 2.615 1.00 15.00 H new ATOM 0 HD1 TRP A 67 -5.124 -0.966 3.858 1.00 15.00 H new ATOM 0 HE1 TRP A 67 -3.380 -2.846 4.172 1.00 15.00 H new ATOM 0 HE3 TRP A 67 -1.822 0.465 0.231 1.00 15.00 H new ATOM 0 HZ2 TRP A 67 -0.925 -3.582 3.001 1.00 15.00 H new ATOM 0 HZ3 TRP A 67 0.221 -0.874 -0.105 1.00 15.00 H new ATOM 0 HH2 TRP A 67 0.656 -2.871 1.261 1.00 15.00 H new ATOM 1051 N CYS A 68 -4.048 1.114 -1.113 1.00 15.00 N ATOM 1052 CA CYS A 68 -3.373 0.839 -2.371 1.00 15.00 C ATOM 1053 C CYS A 68 -2.174 1.762 -2.552 1.00 15.00 C ATOM 1054 O CYS A 68 -2.130 2.856 -1.980 1.00 15.00 O ATOM 1055 CB CYS A 68 -4.351 1.005 -3.540 1.00 15.00 C ATOM 1056 SG CYS A 68 -5.408 2.467 -3.413 1.00 15.00 S ATOM 0 H CYS A 68 -3.782 1.994 -0.671 1.00 15.00 H new ATOM 0 HA CYS A 68 -3.014 -0.190 -2.353 1.00 15.00 H new ATOM 0 HB2 CYS A 68 -3.784 1.059 -4.470 1.00 15.00 H new ATOM 0 HB3 CYS A 68 -4.981 0.118 -3.602 1.00 15.00 H new ATOM 0 HG CYS A 68 -6.197 2.523 -4.445 1.00 15.00 H new ATOM 1062 N PHE A 69 -1.197 1.307 -3.328 1.00 15.00 N ATOM 1063 CA PHE A 69 -0.005 2.093 -3.597 1.00 15.00 C ATOM 1064 C PHE A 69 -0.337 3.194 -4.596 1.00 15.00 C ATOM 1065 O PHE A 69 -0.993 2.950 -5.608 1.00 15.00 O ATOM 1066 CB PHE A 69 1.123 1.207 -4.132 1.00 15.00 C ATOM 1067 CG PHE A 69 1.800 0.375 -3.074 1.00 15.00 C ATOM 1068 CD1 PHE A 69 2.859 0.892 -2.343 1.00 15.00 C ATOM 1069 CD2 PHE A 69 1.381 -0.921 -2.813 1.00 15.00 C ATOM 1070 CE1 PHE A 69 3.486 0.134 -1.371 1.00 15.00 C ATOM 1071 CE2 PHE A 69 2.004 -1.682 -1.842 1.00 15.00 C ATOM 1072 CZ PHE A 69 3.058 -1.154 -1.120 1.00 15.00 C ATOM 0 H PHE A 69 -1.210 0.394 -3.782 1.00 15.00 H new ATOM 0 HA PHE A 69 0.337 2.544 -2.666 1.00 15.00 H new ATOM 0 HB2 PHE A 69 0.719 0.545 -4.898 1.00 15.00 H new ATOM 0 HB3 PHE A 69 1.868 1.838 -4.616 1.00 15.00 H new ATOM 0 HD1 PHE A 69 3.198 1.899 -2.535 1.00 15.00 H new ATOM 0 HD2 PHE A 69 0.559 -1.340 -3.375 1.00 15.00 H new ATOM 0 HE1 PHE A 69 4.309 0.549 -0.809 1.00 15.00 H new ATOM 0 HE2 PHE A 69 1.667 -2.690 -1.647 1.00 15.00 H new ATOM 0 HZ PHE A 69 3.546 -1.748 -0.361 1.00 15.00 H new ATOM 1082 N THR A 70 0.107 4.402 -4.302 1.00 15.00 N ATOM 1083 CA THR A 70 -0.162 5.541 -5.156 1.00 15.00 C ATOM 1084 C THR A 70 0.987 5.796 -6.123 1.00 15.00 C ATOM 1085 O THR A 70 2.128 5.416 -5.864 1.00 15.00 O ATOM 1086 CB THR A 70 -0.427 6.797 -4.308 1.00 15.00 C ATOM 1087 OG1 THR A 70 0.254 6.686 -3.047 1.00 15.00 O ATOM 1088 CG2 THR A 70 -1.916 6.972 -4.061 1.00 15.00 C ATOM 0 H THR A 70 0.659 4.619 -3.472 1.00 15.00 H new ATOM 0 HA THR A 70 -1.052 5.312 -5.742 1.00 15.00 H new ATOM 0 HB THR A 70 -0.055 7.665 -4.853 1.00 15.00 H new ATOM 0 HG1 THR A 70 1.190 6.955 -3.156 1.00 15.00 H new ATOM 0 HG21 THR A 70 -2.082 7.866 -3.460 1.00 15.00 H new ATOM 0 HG22 THR A 70 -2.433 7.075 -5.015 1.00 15.00 H new ATOM 0 HG23 THR A 70 -2.302 6.101 -3.531 1.00 15.00 H new ATOM 1096 N THR A 71 0.681 6.442 -7.242 1.00 15.00 N ATOM 1097 CA THR A 71 1.688 6.743 -8.253 1.00 15.00 C ATOM 1098 C THR A 71 2.516 7.981 -7.891 1.00 15.00 C ATOM 1099 O THR A 71 3.274 8.490 -8.719 1.00 15.00 O ATOM 1100 CB THR A 71 1.036 6.954 -9.634 1.00 15.00 C ATOM 1101 OG1 THR A 71 -0.355 7.269 -9.479 1.00 15.00 O ATOM 1102 CG2 THR A 71 1.179 5.712 -10.499 1.00 15.00 C ATOM 0 H THR A 71 -0.258 6.768 -7.473 1.00 15.00 H new ATOM 0 HA THR A 71 2.356 5.883 -8.292 1.00 15.00 H new ATOM 0 HB THR A 71 1.547 7.783 -10.125 1.00 15.00 H new ATOM 0 HG1 THR A 71 -0.507 8.207 -9.719 1.00 15.00 H new ATOM 0 HG21 THR A 71 0.711 5.887 -11.468 1.00 15.00 H new ATOM 0 HG22 THR A 71 2.236 5.488 -10.642 1.00 15.00 H new ATOM 0 HG23 THR A 71 0.693 4.869 -10.008 1.00 15.00 H new ATOM 1110 N ASP A 72 2.380 8.450 -6.659 1.00 15.00 N ATOM 1111 CA ASP A 72 3.116 9.620 -6.199 1.00 15.00 C ATOM 1112 C ASP A 72 4.397 9.197 -5.491 1.00 15.00 C ATOM 1113 O ASP A 72 4.360 8.386 -4.574 1.00 15.00 O ATOM 1114 CB ASP A 72 2.251 10.463 -5.261 1.00 15.00 C ATOM 1115 CG ASP A 72 1.580 11.617 -5.978 1.00 15.00 C ATOM 1116 OD1 ASP A 72 2.116 12.744 -5.932 1.00 15.00 O ATOM 1117 OD2 ASP A 72 0.521 11.398 -6.603 1.00 15.00 O1- ATOM 0 H ASP A 72 1.765 8.037 -5.958 1.00 15.00 H new ATOM 0 HA ASP A 72 3.378 10.224 -7.068 1.00 15.00 H new ATOM 0 HB2 ASP A 72 1.490 9.830 -4.805 1.00 15.00 H new ATOM 0 HB3 ASP A 72 2.869 10.851 -4.452 1.00 15.00 H new ATOM 1122 N PRO A 73 5.553 9.742 -5.898 1.00 15.00 N ATOM 1123 CA PRO A 73 6.843 9.396 -5.289 1.00 15.00 C ATOM 1124 C PRO A 73 6.953 9.849 -3.831 1.00 15.00 C ATOM 1125 O PRO A 73 7.785 9.348 -3.075 1.00 15.00 O ATOM 1126 CB PRO A 73 7.871 10.140 -6.149 1.00 15.00 C ATOM 1127 CG PRO A 73 7.146 10.552 -7.385 1.00 15.00 C ATOM 1128 CD PRO A 73 5.708 10.722 -6.987 1.00 15.00 C ATOM 0 HA PRO A 73 6.988 8.316 -5.264 1.00 15.00 H new ATOM 0 HB2 PRO A 73 8.268 11.007 -5.621 1.00 15.00 H new ATOM 0 HB3 PRO A 73 8.718 9.498 -6.389 1.00 15.00 H new ATOM 0 HG2 PRO A 73 7.553 11.481 -7.784 1.00 15.00 H new ATOM 0 HG3 PRO A 73 7.248 9.799 -8.166 1.00 15.00 H new ATOM 0 HD2 PRO A 73 5.499 11.737 -6.650 1.00 15.00 H new ATOM 0 HD3 PRO A 73 5.032 10.515 -7.816 1.00 15.00 H new ATOM 1136 N ASN A 74 6.112 10.797 -3.440 1.00 15.00 N ATOM 1137 CA ASN A 74 6.127 11.326 -2.076 1.00 15.00 C ATOM 1138 C ASN A 74 5.232 10.508 -1.152 1.00 15.00 C ATOM 1139 O ASN A 74 5.370 10.567 0.070 1.00 15.00 O ATOM 1140 CB ASN A 74 5.685 12.794 -2.066 1.00 15.00 C ATOM 1141 CG ASN A 74 4.258 12.975 -2.550 1.00 15.00 C ATOM 1142 OD1 ASN A 74 3.311 12.887 -1.771 1.00 15.00 O ATOM 1143 ND2 ASN A 74 4.099 13.237 -3.838 1.00 15.00 N ATOM 0 H ASN A 74 5.408 11.218 -4.047 1.00 15.00 H new ATOM 0 HA ASN A 74 7.150 11.257 -1.707 1.00 15.00 H new ATOM 0 HB2 ASN A 74 5.775 13.190 -1.055 1.00 15.00 H new ATOM 0 HB3 ASN A 74 6.356 13.376 -2.697 1.00 15.00 H new ATOM 0 HD21 ASN A 74 3.163 13.375 -4.219 1.00 15.00 H new ATOM 0 HD22 ASN A 74 4.913 13.301 -4.450 1.00 15.00 H new ATOM 1150 N LYS A 75 4.326 9.738 -1.733 1.00 15.00 N ATOM 1151 CA LYS A 75 3.411 8.921 -0.948 1.00 15.00 C ATOM 1152 C LYS A 75 3.359 7.512 -1.517 1.00 15.00 C ATOM 1153 O LYS A 75 2.820 7.296 -2.599 1.00 15.00 O ATOM 1154 CB LYS A 75 2.010 9.542 -0.945 1.00 15.00 C ATOM 1155 CG LYS A 75 1.289 9.435 0.394 1.00 15.00 C ATOM 1156 CD LYS A 75 1.969 10.278 1.462 1.00 15.00 C ATOM 1157 CE LYS A 75 1.189 10.272 2.768 1.00 15.00 C ATOM 1158 NZ LYS A 75 1.087 8.909 3.353 1.00 15.00 N1+ ATOM 0 H LYS A 75 4.204 9.661 -2.743 1.00 15.00 H new ATOM 0 HA LYS A 75 3.772 8.876 0.080 1.00 15.00 H new ATOM 0 HB2 LYS A 75 2.089 10.594 -1.221 1.00 15.00 H new ATOM 0 HB3 LYS A 75 1.406 9.056 -1.711 1.00 15.00 H new ATOM 0 HG2 LYS A 75 0.254 9.758 0.278 1.00 15.00 H new ATOM 0 HG3 LYS A 75 1.264 8.393 0.713 1.00 15.00 H new ATOM 0 HD2 LYS A 75 2.976 9.899 1.638 1.00 15.00 H new ATOM 0 HD3 LYS A 75 2.072 11.303 1.105 1.00 15.00 H new ATOM 0 HE2 LYS A 75 1.674 10.937 3.482 1.00 15.00 H new ATOM 0 HE3 LYS A 75 0.188 10.667 2.594 1.00 15.00 H new ATOM 0 HZ1 LYS A 75 0.162 8.498 3.116 1.00 15.00 H new ATOM 0 HZ2 LYS A 75 1.842 8.308 2.966 1.00 15.00 H new ATOM 0 HZ3 LYS A 75 1.186 8.967 4.387 1.00 15.00 H new ATOM 1172 N ARG A 76 3.922 6.563 -0.785 1.00 15.00 N ATOM 1173 CA ARG A 76 3.959 5.176 -1.231 1.00 15.00 C ATOM 1174 C ARG A 76 2.559 4.589 -1.335 1.00 15.00 C ATOM 1175 O ARG A 76 2.161 4.107 -2.392 1.00 15.00 O ATOM 1176 CB ARG A 76 4.828 4.337 -0.295 1.00 15.00 C ATOM 1177 CG ARG A 76 6.279 4.783 -0.273 1.00 15.00 C ATOM 1178 CD ARG A 76 7.222 3.634 0.028 1.00 15.00 C ATOM 1179 NE ARG A 76 7.432 3.449 1.461 1.00 15.00 N ATOM 1180 CZ ARG A 76 8.630 3.446 2.042 1.00 15.00 C ATOM 1181 NH1 ARG A 76 9.729 3.613 1.318 1.00 15.00 N1+ ATOM 1182 NH2 ARG A 76 8.732 3.245 3.348 1.00 15.00 N ATOM 0 H ARG A 76 4.360 6.727 0.121 1.00 15.00 H new ATOM 0 HA ARG A 76 4.401 5.156 -2.227 1.00 15.00 H new ATOM 0 HB2 ARG A 76 4.422 4.391 0.715 1.00 15.00 H new ATOM 0 HB3 ARG A 76 4.779 3.292 -0.602 1.00 15.00 H new ATOM 0 HG2 ARG A 76 6.538 5.222 -1.237 1.00 15.00 H new ATOM 0 HG3 ARG A 76 6.407 5.563 0.477 1.00 15.00 H new ATOM 0 HD2 ARG A 76 6.820 2.716 -0.399 1.00 15.00 H new ATOM 0 HD3 ARG A 76 8.181 3.818 -0.457 1.00 15.00 H new ATOM 0 HE ARG A 76 6.612 3.314 2.052 1.00 15.00 H new ATOM 0 HH11 ARG A 76 9.660 3.745 0.309 1.00 15.00 H new ATOM 0 HH12 ARG A 76 10.643 3.610 1.770 1.00 15.00 H new ATOM 0 HH21 ARG A 76 7.893 3.093 3.908 1.00 15.00 H new ATOM 0 HH22 ARG A 76 9.650 3.243 3.793 1.00 15.00 H new ATOM 1196 N TRP A 77 1.808 4.634 -0.250 1.00 15.00 N ATOM 1197 CA TRP A 77 0.453 4.106 -0.260 1.00 15.00 C ATOM 1198 C TRP A 77 -0.444 4.914 0.661 1.00 15.00 C ATOM 1199 O TRP A 77 0.028 5.533 1.619 1.00 15.00 O ATOM 1200 CB TRP A 77 0.429 2.620 0.136 1.00 15.00 C ATOM 1201 CG TRP A 77 1.080 2.309 1.457 1.00 15.00 C ATOM 1202 CD1 TRP A 77 2.384 1.968 1.663 1.00 15.00 C ATOM 1203 CD2 TRP A 77 0.449 2.284 2.747 1.00 15.00 C ATOM 1204 NE1 TRP A 77 2.606 1.744 3.000 1.00 15.00 N ATOM 1205 CE2 TRP A 77 1.434 1.933 3.685 1.00 15.00 C ATOM 1206 CE3 TRP A 77 -0.851 2.527 3.199 1.00 15.00 C ATOM 1207 CZ2 TRP A 77 1.163 1.819 5.049 1.00 15.00 C ATOM 1208 CZ3 TRP A 77 -1.120 2.418 4.551 1.00 15.00 C ATOM 1209 CH2 TRP A 77 -0.117 2.066 5.462 1.00 15.00 C ATOM 0 H TRP A 77 2.108 5.026 0.642 1.00 15.00 H new ATOM 0 HA TRP A 77 0.073 4.189 -1.278 1.00 15.00 H new ATOM 0 HB2 TRP A 77 -0.607 2.284 0.169 1.00 15.00 H new ATOM 0 HB3 TRP A 77 0.926 2.043 -0.643 1.00 15.00 H new ATOM 0 HD1 TRP A 77 3.132 1.886 0.889 1.00 15.00 H new ATOM 0 HE1 TRP A 77 3.499 1.480 3.416 1.00 15.00 H new ATOM 0 HE3 TRP A 77 -1.633 2.795 2.504 1.00 15.00 H new ATOM 0 HZ2 TRP A 77 1.936 1.546 5.753 1.00 15.00 H new ATOM 0 HZ3 TRP A 77 -2.121 2.608 4.910 1.00 15.00 H new ATOM 0 HH2 TRP A 77 -0.359 1.988 6.512 1.00 15.00 H new ATOM 1220 N GLU A 78 -1.732 4.916 0.363 1.00 15.00 N ATOM 1221 CA GLU A 78 -2.700 5.645 1.163 1.00 15.00 C ATOM 1222 C GLU A 78 -3.970 4.829 1.342 1.00 15.00 C ATOM 1223 O GLU A 78 -4.199 3.849 0.631 1.00 15.00 O ATOM 1224 CB GLU A 78 -3.028 6.998 0.530 1.00 15.00 C ATOM 1225 CG GLU A 78 -2.379 8.171 1.250 1.00 15.00 C ATOM 1226 CD GLU A 78 -2.527 8.086 2.760 1.00 15.00 C ATOM 1227 OE1 GLU A 78 -1.550 8.406 3.475 1.00 15.00 O ATOM 1228 OE2 GLU A 78 -3.617 7.699 3.235 1.00 15.00 O1- ATOM 0 H GLU A 78 -2.133 4.418 -0.432 1.00 15.00 H new ATOM 0 HA GLU A 78 -2.257 5.823 2.143 1.00 15.00 H new ATOM 0 HB2 GLU A 78 -2.702 6.994 -0.510 1.00 15.00 H new ATOM 0 HB3 GLU A 78 -4.109 7.137 0.525 1.00 15.00 H new ATOM 0 HG2 GLU A 78 -1.320 8.208 0.994 1.00 15.00 H new ATOM 0 HG3 GLU A 78 -2.825 9.101 0.897 1.00 15.00 H new ATOM 1235 N TYR A 79 -4.789 5.249 2.293 1.00 15.00 N ATOM 1236 CA TYR A 79 -6.039 4.568 2.601 1.00 15.00 C ATOM 1237 C TYR A 79 -7.164 5.004 1.668 1.00 15.00 C ATOM 1238 O TYR A 79 -7.093 6.054 1.019 1.00 15.00 O ATOM 1239 CB TYR A 79 -6.452 4.829 4.054 1.00 15.00 C ATOM 1240 CG TYR A 79 -5.598 4.110 5.074 1.00 15.00 C ATOM 1241 CD1 TYR A 79 -4.583 4.772 5.751 1.00 15.00 C ATOM 1242 CD2 TYR A 79 -5.811 2.768 5.361 1.00 15.00 C ATOM 1243 CE1 TYR A 79 -3.806 4.119 6.686 1.00 15.00 C ATOM 1244 CE2 TYR A 79 -5.037 2.107 6.293 1.00 15.00 C ATOM 1245 CZ TYR A 79 -4.038 2.785 6.952 1.00 15.00 C ATOM 1246 OH TYR A 79 -3.265 2.131 7.883 1.00 15.00 O ATOM 0 H TYR A 79 -4.608 6.069 2.872 1.00 15.00 H new ATOM 0 HA TYR A 79 -5.867 3.501 2.457 1.00 15.00 H new ATOM 0 HB2 TYR A 79 -6.406 5.901 4.247 1.00 15.00 H new ATOM 0 HB3 TYR A 79 -7.491 4.526 4.186 1.00 15.00 H new ATOM 0 HD1 TYR A 79 -4.398 5.815 5.543 1.00 15.00 H new ATOM 0 HD2 TYR A 79 -6.595 2.233 4.846 1.00 15.00 H new ATOM 0 HE1 TYR A 79 -3.021 4.649 7.206 1.00 15.00 H new ATOM 0 HE2 TYR A 79 -5.215 1.063 6.504 1.00 15.00 H new ATOM 0 HH TYR A 79 -3.695 1.286 8.130 1.00 15.00 H new ATOM 1256 N CYS A 80 -8.202 4.187 1.602 1.00 15.00 N ATOM 1257 CA CYS A 80 -9.359 4.477 0.776 1.00 15.00 C ATOM 1258 C CYS A 80 -10.587 4.608 1.669 1.00 15.00 C ATOM 1259 O CYS A 80 -10.797 3.792 2.568 1.00 15.00 O ATOM 1260 CB CYS A 80 -9.564 3.365 -0.256 1.00 15.00 C ATOM 1261 SG CYS A 80 -10.499 3.871 -1.717 1.00 15.00 S ATOM 0 H CYS A 80 -8.265 3.309 2.117 1.00 15.00 H new ATOM 0 HA CYS A 80 -9.201 5.413 0.240 1.00 15.00 H new ATOM 0 HB2 CYS A 80 -8.589 2.995 -0.573 1.00 15.00 H new ATOM 0 HB3 CYS A 80 -10.081 2.533 0.222 1.00 15.00 H new ATOM 0 HG CYS A 80 -9.706 4.475 -2.552 1.00 15.00 H new ATOM 1267 N ASP A 81 -11.383 5.644 1.429 1.00 15.00 N ATOM 1268 CA ASP A 81 -12.575 5.892 2.234 1.00 15.00 C ATOM 1269 C ASP A 81 -13.781 5.174 1.651 1.00 15.00 C ATOM 1270 O ASP A 81 -14.428 5.668 0.724 1.00 15.00 O ATOM 1271 CB ASP A 81 -12.859 7.390 2.343 1.00 15.00 C ATOM 1272 CG ASP A 81 -13.766 7.723 3.515 1.00 15.00 C ATOM 1273 OD1 ASP A 81 -13.247 7.892 4.637 1.00 15.00 O ATOM 1274 OD2 ASP A 81 -14.996 7.825 3.320 1.00 15.00 O1- ATOM 0 H ASP A 81 -11.226 6.325 0.686 1.00 15.00 H new ATOM 0 HA ASP A 81 -12.387 5.501 3.234 1.00 15.00 H new ATOM 0 HB2 ASP A 81 -11.918 7.929 2.451 1.00 15.00 H new ATOM 0 HB3 ASP A 81 -13.321 7.738 1.419 1.00 15.00 H new ATOM 1279 N ILE A 82 -14.065 4.003 2.195 1.00 15.00 N ATOM 1280 CA ILE A 82 -15.190 3.199 1.746 1.00 15.00 C ATOM 1281 C ILE A 82 -16.258 3.141 2.836 1.00 15.00 C ATOM 1282 O ILE A 82 -15.967 2.772 3.975 1.00 15.00 O ATOM 1283 CB ILE A 82 -14.741 1.764 1.385 1.00 15.00 C ATOM 1284 CG1 ILE A 82 -13.593 1.812 0.372 1.00 15.00 C ATOM 1285 CG2 ILE A 82 -15.909 0.954 0.832 1.00 15.00 C ATOM 1286 CD1 ILE A 82 -12.830 0.509 0.250 1.00 15.00 C ATOM 0 H ILE A 82 -13.527 3.585 2.954 1.00 15.00 H new ATOM 0 HA ILE A 82 -15.603 3.667 0.852 1.00 15.00 H new ATOM 0 HB ILE A 82 -14.389 1.273 2.292 1.00 15.00 H new ATOM 0 HG12 ILE A 82 -13.994 2.080 -0.605 1.00 15.00 H new ATOM 0 HG13 ILE A 82 -12.900 2.603 0.660 1.00 15.00 H new ATOM 0 HG21 ILE A 82 -15.570 -0.052 0.585 1.00 15.00 H new ATOM 0 HG22 ILE A 82 -16.699 0.897 1.581 1.00 15.00 H new ATOM 0 HG23 ILE A 82 -16.294 1.437 -0.066 1.00 15.00 H new ATOM 0 HD11 ILE A 82 -12.033 0.621 -0.486 1.00 15.00 H new ATOM 0 HD12 ILE A 82 -12.398 0.249 1.216 1.00 15.00 H new ATOM 0 HD13 ILE A 82 -13.509 -0.282 -0.069 1.00 15.00 H new ATOM 1298 N PRO A 83 -17.507 3.510 2.504 1.00 15.00 N ATOM 1299 CA PRO A 83 -18.621 3.507 3.462 1.00 15.00 C ATOM 1300 C PRO A 83 -18.879 2.127 4.068 1.00 15.00 C ATOM 1301 O PRO A 83 -19.114 1.147 3.355 1.00 15.00 O ATOM 1302 CB PRO A 83 -19.827 3.956 2.627 1.00 15.00 C ATOM 1303 CG PRO A 83 -19.423 3.770 1.208 1.00 15.00 C ATOM 1304 CD PRO A 83 -17.936 3.959 1.169 1.00 15.00 C ATOM 0 HA PRO A 83 -18.412 4.154 4.314 1.00 15.00 H new ATOM 0 HB2 PRO A 83 -20.710 3.363 2.864 1.00 15.00 H new ATOM 0 HB3 PRO A 83 -20.078 4.997 2.830 1.00 15.00 H new ATOM 0 HG2 PRO A 83 -19.699 2.778 0.851 1.00 15.00 H new ATOM 0 HG3 PRO A 83 -19.924 4.491 0.563 1.00 15.00 H new ATOM 0 HD2 PRO A 83 -17.475 3.368 0.378 1.00 15.00 H new ATOM 0 HD3 PRO A 83 -17.667 5.000 0.988 1.00 15.00 H new ATOM 1312 N ARG A 84 -18.826 2.060 5.391 1.00 15.00 N ATOM 1313 CA ARG A 84 -19.055 0.813 6.106 1.00 15.00 C ATOM 1314 C ARG A 84 -20.489 0.756 6.621 1.00 15.00 C ATOM 1315 O ARG A 84 -21.161 1.784 6.730 1.00 15.00 O ATOM 1316 CB ARG A 84 -18.066 0.664 7.268 1.00 15.00 C ATOM 1317 CG ARG A 84 -18.172 1.765 8.308 1.00 15.00 C ATOM 1318 CD ARG A 84 -16.991 1.744 9.269 1.00 15.00 C ATOM 1319 NE ARG A 84 -17.002 2.895 10.174 1.00 15.00 N ATOM 1320 CZ ARG A 84 -16.110 3.093 11.148 1.00 15.00 C ATOM 1321 NH1 ARG A 84 -15.128 2.218 11.346 1.00 15.00 N1+ ATOM 1322 NH2 ARG A 84 -16.202 4.169 11.928 1.00 15.00 N ATOM 0 H ARG A 84 -18.625 2.859 5.993 1.00 15.00 H new ATOM 0 HA ARG A 84 -18.897 -0.014 5.414 1.00 15.00 H new ATOM 0 HB2 ARG A 84 -18.232 -0.298 7.753 1.00 15.00 H new ATOM 0 HB3 ARG A 84 -17.051 0.650 6.870 1.00 15.00 H new ATOM 0 HG2 ARG A 84 -18.219 2.733 7.810 1.00 15.00 H new ATOM 0 HG3 ARG A 84 -19.100 1.649 8.868 1.00 15.00 H new ATOM 0 HD2 ARG A 84 -17.014 0.824 9.852 1.00 15.00 H new ATOM 0 HD3 ARG A 84 -16.061 1.738 8.701 1.00 15.00 H new ATOM 0 HE ARG A 84 -17.738 3.590 10.053 1.00 15.00 H new ATOM 0 HH11 ARG A 84 -15.054 1.392 10.753 1.00 15.00 H new ATOM 0 HH12 ARG A 84 -14.449 2.373 12.091 1.00 15.00 H new ATOM 0 HH21 ARG A 84 -16.954 4.842 11.782 1.00 15.00 H new ATOM 0 HH22 ARG A 84 -15.520 4.320 12.672 1.00 15.00 H new ATOM 1336 N CYS A 85 -20.961 -0.445 6.912 1.00 15.00 N ATOM 1337 CA CYS A 85 -22.311 -0.628 7.425 1.00 15.00 C ATOM 1338 C CYS A 85 -22.407 -0.150 8.873 1.00 15.00 C ATOM 1339 O CYS A 85 -21.434 -0.225 9.626 1.00 15.00 O ATOM 1340 CB CYS A 85 -22.717 -2.099 7.333 1.00 15.00 C ATOM 1341 SG CYS A 85 -22.361 -2.858 5.729 1.00 15.00 S ATOM 0 H CYS A 85 -20.430 -1.309 6.802 1.00 15.00 H new ATOM 0 HA CYS A 85 -22.992 -0.033 6.817 1.00 15.00 H new ATOM 0 HB2 CYS A 85 -22.199 -2.658 8.112 1.00 15.00 H new ATOM 0 HB3 CYS A 85 -23.785 -2.185 7.536 1.00 15.00 H new ATOM 0 HG CYS A 85 -22.736 -4.103 5.745 1.00 15.00 H new ATOM 1347 N ALA A 86 -23.580 0.337 9.256 1.00 15.00 N ATOM 1348 CA ALA A 86 -23.806 0.823 10.610 1.00 15.00 C ATOM 1349 C ALA A 86 -24.039 -0.335 11.574 1.00 15.00 C ATOM 1350 O ALA A 86 -23.879 -0.193 12.787 1.00 15.00 O ATOM 1351 CB ALA A 86 -24.986 1.783 10.636 1.00 15.00 C ATOM 0 H ALA A 86 -24.393 0.406 8.644 1.00 15.00 H new ATOM 0 HA ALA A 86 -22.913 1.357 10.934 1.00 15.00 H new ATOM 0 HB1 ALA A 86 -25.144 2.138 11.654 1.00 15.00 H new ATOM 0 HB2 ALA A 86 -24.779 2.631 9.983 1.00 15.00 H new ATOM 0 HB3 ALA A 86 -25.882 1.268 10.289 1.00 15.00 H new ATOM 1357 N ALA A 87 -24.415 -1.480 11.026 1.00 15.00 N ATOM 1358 CA ALA A 87 -24.667 -2.663 11.827 1.00 15.00 C ATOM 1359 C ALA A 87 -23.358 -3.354 12.181 1.00 15.00 C ATOM 1360 O ALA A 87 -22.520 -3.534 11.274 1.00 15.00 O ATOM 1361 CB ALA A 87 -25.589 -3.617 11.083 1.00 15.00 C ATOM 1362 OXT ALA A 87 -23.170 -3.712 13.361 1.00 15.00 O1- ATOM 0 H ALA A 87 -24.552 -1.613 10.024 1.00 15.00 H new ATOM 0 HA ALA A 87 -25.156 -2.359 12.752 1.00 15.00 H new ATOM 0 HB1 ALA A 87 -25.770 -4.500 11.696 1.00 15.00 H new ATOM 0 HB2 ALA A 87 -26.536 -3.120 10.875 1.00 15.00 H new ATOM 0 HB3 ALA A 87 -25.123 -3.916 10.144 1.00 15.00 H new TER 1368 ALA A 87 ATOM 1369 N GLY B 101 16.048 3.987 -16.967 1.00 15.00 N ATOM 1370 CA GLY B 101 15.524 2.995 -15.997 1.00 15.00 C ATOM 1371 C GLY B 101 14.768 3.654 -14.862 1.00 15.00 C ATOM 1372 O GLY B 101 14.195 4.729 -15.038 1.00 15.00 O ATOM 0 HA2 GLY B 101 14.866 2.296 -16.513 1.00 15.00 H new ATOM 0 HA3 GLY B 101 16.351 2.413 -15.591 1.00 15.00 H new ATOM 1378 N SER B 102 14.777 3.017 -13.701 1.00 15.00 N ATOM 1379 CA SER B 102 14.084 3.540 -12.533 1.00 15.00 C ATOM 1380 C SER B 102 15.085 4.136 -11.542 1.00 15.00 C ATOM 1381 O SER B 102 16.252 3.742 -11.524 1.00 15.00 O ATOM 1382 CB SER B 102 13.281 2.417 -11.872 1.00 15.00 C ATOM 1383 OG SER B 102 12.925 1.423 -12.821 1.00 15.00 O ATOM 0 H SER B 102 15.259 2.132 -13.542 1.00 15.00 H new ATOM 0 HA SER B 102 13.402 4.331 -12.845 1.00 15.00 H new ATOM 0 HB2 SER B 102 13.868 1.967 -11.071 1.00 15.00 H new ATOM 0 HB3 SER B 102 12.381 2.828 -11.415 1.00 15.00 H new ATOM 0 HG SER B 102 12.414 0.715 -12.377 1.00 15.00 H new ATOM 1389 N VAL B 103 14.629 5.094 -10.737 1.00 15.00 N ATOM 1390 CA VAL B 103 15.485 5.745 -9.753 1.00 15.00 C ATOM 1391 C VAL B 103 15.953 4.758 -8.676 1.00 15.00 C ATOM 1392 O VAL B 103 15.171 3.959 -8.156 1.00 15.00 O ATOM 1393 CB VAL B 103 14.773 6.957 -9.097 1.00 15.00 C ATOM 1394 CG1 VAL B 103 13.554 6.521 -8.294 1.00 15.00 C ATOM 1395 CG2 VAL B 103 15.739 7.746 -8.225 1.00 15.00 C ATOM 0 H VAL B 103 13.668 5.436 -10.749 1.00 15.00 H new ATOM 0 HA VAL B 103 16.363 6.111 -10.286 1.00 15.00 H new ATOM 0 HB VAL B 103 14.425 7.608 -9.899 1.00 15.00 H new ATOM 0 HG11 VAL B 103 13.080 7.396 -7.849 1.00 15.00 H new ATOM 0 HG12 VAL B 103 12.845 6.020 -8.953 1.00 15.00 H new ATOM 0 HG13 VAL B 103 13.864 5.835 -7.505 1.00 15.00 H new ATOM 0 HG21 VAL B 103 15.217 8.591 -7.776 1.00 15.00 H new ATOM 0 HG22 VAL B 103 16.129 7.101 -7.438 1.00 15.00 H new ATOM 0 HG23 VAL B 103 16.564 8.113 -8.836 1.00 15.00 H new ATOM 1405 N GLU B 104 17.241 4.811 -8.358 1.00 15.00 N ATOM 1406 CA GLU B 104 17.825 3.929 -7.358 1.00 15.00 C ATOM 1407 C GLU B 104 18.478 4.736 -6.235 1.00 15.00 C ATOM 1408 O GLU B 104 19.578 4.417 -5.786 1.00 15.00 O ATOM 1409 CB GLU B 104 18.856 3.001 -8.008 1.00 15.00 C ATOM 1410 CG GLU B 104 18.283 2.149 -9.130 1.00 15.00 C ATOM 1411 CD GLU B 104 19.298 1.204 -9.733 1.00 15.00 C ATOM 1412 OE1 GLU B 104 20.135 1.657 -10.545 1.00 15.00 O ATOM 1413 OE2 GLU B 104 19.254 -0.001 -9.415 1.00 15.00 O1- ATOM 0 H GLU B 104 17.904 5.460 -8.782 1.00 15.00 H new ATOM 0 HA GLU B 104 17.026 3.326 -6.927 1.00 15.00 H new ATOM 0 HB2 GLU B 104 19.677 3.601 -8.401 1.00 15.00 H new ATOM 0 HB3 GLU B 104 19.277 2.347 -7.244 1.00 15.00 H new ATOM 0 HG2 GLU B 104 17.441 1.572 -8.747 1.00 15.00 H new ATOM 0 HG3 GLU B 104 17.893 2.802 -9.911 1.00 15.00 H new ATOM 1420 N LYS B 105 17.787 5.782 -5.786 1.00 15.00 N ATOM 1421 CA LYS B 105 18.293 6.640 -4.714 1.00 15.00 C ATOM 1422 C LYS B 105 18.319 5.897 -3.381 1.00 15.00 C ATOM 1423 O LYS B 105 19.155 6.169 -2.521 1.00 15.00 O ATOM 1424 CB LYS B 105 17.430 7.900 -4.578 1.00 15.00 C ATOM 1425 CG LYS B 105 17.931 9.093 -5.385 1.00 15.00 C ATOM 1426 CD LYS B 105 17.257 10.388 -4.947 1.00 15.00 C ATOM 1427 CE LYS B 105 17.755 10.844 -3.583 1.00 15.00 C ATOM 1428 NZ LYS B 105 17.068 12.079 -3.122 1.00 15.00 N1+ ATOM 0 H LYS B 105 16.874 6.057 -6.148 1.00 15.00 H new ATOM 0 HA LYS B 105 19.311 6.927 -4.976 1.00 15.00 H new ATOM 0 HB2 LYS B 105 16.413 7.665 -4.892 1.00 15.00 H new ATOM 0 HB3 LYS B 105 17.382 8.182 -3.526 1.00 15.00 H new ATOM 0 HG2 LYS B 105 19.011 9.186 -5.267 1.00 15.00 H new ATOM 0 HG3 LYS B 105 17.740 8.923 -6.445 1.00 15.00 H new ATOM 0 HD2 LYS B 105 17.450 11.167 -5.685 1.00 15.00 H new ATOM 0 HD3 LYS B 105 16.177 10.243 -4.911 1.00 15.00 H new ATOM 0 HE2 LYS B 105 17.597 10.048 -2.855 1.00 15.00 H new ATOM 0 HE3 LYS B 105 18.829 11.023 -3.631 1.00 15.00 H new ATOM 0 HZ1 LYS B 105 17.598 12.496 -2.330 1.00 15.00 H new ATOM 0 HZ2 LYS B 105 17.020 12.762 -3.905 1.00 15.00 H new ATOM 0 HZ3 LYS B 105 16.105 11.844 -2.808 1.00 15.00 H new ATOM 1442 N LEU B 106 17.400 4.959 -3.223 1.00 15.00 N ATOM 1443 CA LEU B 106 17.301 4.188 -1.994 1.00 15.00 C ATOM 1444 C LEU B 106 18.007 2.846 -2.145 1.00 15.00 C ATOM 1445 O LEU B 106 17.363 1.816 -2.334 1.00 15.00 O ATOM 1446 CB LEU B 106 15.830 3.968 -1.612 1.00 15.00 C ATOM 1447 CG LEU B 106 15.025 5.229 -1.254 1.00 15.00 C ATOM 1448 CD1 LEU B 106 15.880 6.217 -0.473 1.00 15.00 C ATOM 1449 CD2 LEU B 106 14.450 5.881 -2.504 1.00 15.00 C ATOM 0 H LEU B 106 16.710 4.712 -3.932 1.00 15.00 H new ATOM 0 HA LEU B 106 17.789 4.752 -1.199 1.00 15.00 H new ATOM 0 HB2 LEU B 106 15.332 3.468 -2.442 1.00 15.00 H new ATOM 0 HB3 LEU B 106 15.795 3.287 -0.762 1.00 15.00 H new ATOM 0 HG LEU B 106 14.193 4.926 -0.618 1.00 15.00 H new ATOM 0 HD11 LEU B 106 15.288 7.100 -0.232 1.00 15.00 H new ATOM 0 HD12 LEU B 106 16.226 5.749 0.449 1.00 15.00 H new ATOM 0 HD13 LEU B 106 16.740 6.510 -1.076 1.00 15.00 H new ATOM 0 HD21 LEU B 106 13.885 6.770 -2.224 1.00 15.00 H new ATOM 0 HD22 LEU B 106 15.262 6.163 -3.174 1.00 15.00 H new ATOM 0 HD23 LEU B 106 13.790 5.177 -3.011 1.00 15.00 H new ATOM 1461 N THR B 107 19.331 2.863 -2.074 1.00 15.00 N ATOM 1462 CA THR B 107 20.122 1.648 -2.210 1.00 15.00 C ATOM 1463 C THR B 107 19.957 0.719 -1.004 1.00 15.00 C ATOM 1464 O THR B 107 19.442 -0.396 -1.129 1.00 15.00 O ATOM 1465 CB THR B 107 21.613 1.988 -2.384 1.00 15.00 C ATOM 1466 OG1 THR B 107 21.747 3.313 -2.920 1.00 15.00 O ATOM 1467 CG2 THR B 107 22.290 0.982 -3.303 1.00 15.00 C ATOM 0 H THR B 107 19.881 3.708 -1.922 1.00 15.00 H new ATOM 0 HA THR B 107 19.755 1.130 -3.096 1.00 15.00 H new ATOM 0 HB THR B 107 22.098 1.942 -1.409 1.00 15.00 H new ATOM 0 HG1 THR B 107 21.829 3.956 -2.185 1.00 15.00 H new ATOM 0 HG21 THR B 107 23.343 1.241 -3.413 1.00 15.00 H new ATOM 0 HG22 THR B 107 22.204 -0.017 -2.875 1.00 15.00 H new ATOM 0 HG23 THR B 107 21.808 1.001 -4.281 1.00 15.00 H new ATOM 1475 N ALA B 108 20.379 1.190 0.163 1.00 15.00 N ATOM 1476 CA ALA B 108 20.308 0.399 1.387 1.00 15.00 C ATOM 1477 C ALA B 108 18.870 0.186 1.846 1.00 15.00 C ATOM 1478 O ALA B 108 18.524 -0.884 2.346 1.00 15.00 O ATOM 1479 CB ALA B 108 21.109 1.068 2.492 1.00 15.00 C ATOM 0 H ALA B 108 20.776 2.121 0.288 1.00 15.00 H new ATOM 0 HA ALA B 108 20.735 -0.580 1.167 1.00 15.00 H new ATOM 0 HB1 ALA B 108 21.048 0.468 3.400 1.00 15.00 H new ATOM 0 HB2 ALA B 108 22.151 1.156 2.184 1.00 15.00 H new ATOM 0 HB3 ALA B 108 20.703 2.061 2.685 1.00 15.00 H new ATOM 1485 N ASP B 109 18.041 1.206 1.665 1.00 15.00 N ATOM 1486 CA ASP B 109 16.637 1.152 2.069 1.00 15.00 C ATOM 1487 C ASP B 109 15.918 -0.019 1.416 1.00 15.00 C ATOM 1488 O ASP B 109 15.276 -0.822 2.090 1.00 15.00 O ATOM 1489 CB ASP B 109 15.929 2.452 1.703 1.00 15.00 C ATOM 1490 CG ASP B 109 15.055 2.966 2.826 1.00 15.00 C ATOM 1491 OD1 ASP B 109 15.562 3.727 3.678 1.00 15.00 O ATOM 1492 OD2 ASP B 109 13.855 2.630 2.853 1.00 15.00 O1- ATOM 0 H ASP B 109 18.318 2.090 1.237 1.00 15.00 H new ATOM 0 HA ASP B 109 16.610 1.015 3.150 1.00 15.00 H new ATOM 0 HB2 ASP B 109 16.672 3.208 1.448 1.00 15.00 H new ATOM 0 HB3 ASP B 109 15.318 2.293 0.814 1.00 15.00 H new ATOM 1497 N ALA B 110 16.044 -0.120 0.099 1.00 15.00 N ATOM 1498 CA ALA B 110 15.401 -1.191 -0.649 1.00 15.00 C ATOM 1499 C ALA B 110 16.056 -2.536 -0.357 1.00 15.00 C ATOM 1500 O ALA B 110 15.378 -3.560 -0.285 1.00 15.00 O ATOM 1501 CB ALA B 110 15.440 -0.894 -2.141 1.00 15.00 C ATOM 0 H ALA B 110 16.586 0.528 -0.473 1.00 15.00 H new ATOM 0 HA ALA B 110 14.360 -1.247 -0.330 1.00 15.00 H new ATOM 0 HB1 ALA B 110 14.955 -1.704 -2.686 1.00 15.00 H new ATOM 0 HB2 ALA B 110 14.916 0.041 -2.340 1.00 15.00 H new ATOM 0 HB3 ALA B 110 16.476 -0.806 -2.468 1.00 15.00 H new ATOM 1507 N GLU B 111 17.373 -2.526 -0.176 1.00 15.00 N ATOM 1508 CA GLU B 111 18.111 -3.751 0.106 1.00 15.00 C ATOM 1509 C GLU B 111 17.650 -4.365 1.422 1.00 15.00 C ATOM 1510 O GLU B 111 17.317 -5.548 1.480 1.00 15.00 O ATOM 1511 CB GLU B 111 19.616 -3.475 0.153 1.00 15.00 C ATOM 1512 CG GLU B 111 20.459 -4.739 0.128 1.00 15.00 C ATOM 1513 CD GLU B 111 21.943 -4.449 0.165 1.00 15.00 C ATOM 1514 OE1 GLU B 111 22.551 -4.309 -0.915 1.00 15.00 O ATOM 1515 OE2 GLU B 111 22.513 -4.371 1.274 1.00 15.00 O1- ATOM 0 H GLU B 111 17.949 -1.685 -0.220 1.00 15.00 H new ATOM 0 HA GLU B 111 17.911 -4.459 -0.698 1.00 15.00 H new ATOM 0 HB2 GLU B 111 19.890 -2.847 -0.695 1.00 15.00 H new ATOM 0 HB3 GLU B 111 19.847 -2.910 1.056 1.00 15.00 H new ATOM 0 HG2 GLU B 111 20.194 -5.365 0.980 1.00 15.00 H new ATOM 0 HG3 GLU B 111 20.226 -5.309 -0.772 1.00 15.00 H new ATOM 1522 N LEU B 112 17.607 -3.548 2.469 1.00 15.00 N ATOM 1523 CA LEU B 112 17.188 -4.012 3.788 1.00 15.00 C ATOM 1524 C LEU B 112 15.742 -4.493 3.760 1.00 15.00 C ATOM 1525 O LEU B 112 15.426 -5.581 4.247 1.00 15.00 O ATOM 1526 CB LEU B 112 17.341 -2.896 4.828 1.00 15.00 C ATOM 1527 CG LEU B 112 18.770 -2.398 5.055 1.00 15.00 C ATOM 1528 CD1 LEU B 112 18.782 -1.251 6.054 1.00 15.00 C ATOM 1529 CD2 LEU B 112 19.665 -3.530 5.532 1.00 15.00 C ATOM 0 H LEU B 112 17.857 -2.560 2.430 1.00 15.00 H new ATOM 0 HA LEU B 112 17.831 -4.847 4.067 1.00 15.00 H new ATOM 0 HB2 LEU B 112 16.725 -2.051 4.522 1.00 15.00 H new ATOM 0 HB3 LEU B 112 16.944 -3.252 5.778 1.00 15.00 H new ATOM 0 HG LEU B 112 19.160 -2.033 4.105 1.00 15.00 H new ATOM 0 HD11 LEU B 112 19.806 -0.909 6.203 1.00 15.00 H new ATOM 0 HD12 LEU B 112 18.177 -0.429 5.671 1.00 15.00 H new ATOM 0 HD13 LEU B 112 18.371 -1.592 7.004 1.00 15.00 H new ATOM 0 HD21 LEU B 112 20.676 -3.154 5.687 1.00 15.00 H new ATOM 0 HD22 LEU B 112 19.278 -3.929 6.470 1.00 15.00 H new ATOM 0 HD23 LEU B 112 19.683 -4.320 4.782 1.00 15.00 H new ATOM 1541 N GLN B 113 14.873 -3.682 3.166 1.00 15.00 N ATOM 1542 CA GLN B 113 13.455 -4.005 3.077 1.00 15.00 C ATOM 1543 C GLN B 113 13.225 -5.308 2.317 1.00 15.00 C ATOM 1544 O GLN B 113 12.457 -6.163 2.761 1.00 15.00 O ATOM 1545 CB GLN B 113 12.690 -2.865 2.399 1.00 15.00 C ATOM 1546 CG GLN B 113 11.183 -3.072 2.370 1.00 15.00 C ATOM 1547 CD GLN B 113 10.556 -3.010 3.750 1.00 15.00 C ATOM 1548 OE1 GLN B 113 10.182 -1.940 4.223 1.00 15.00 O ATOM 1549 NE2 GLN B 113 10.436 -4.154 4.405 1.00 15.00 N ATOM 0 H GLN B 113 15.128 -2.792 2.737 1.00 15.00 H new ATOM 0 HA GLN B 113 13.082 -4.135 4.093 1.00 15.00 H new ATOM 0 HB2 GLN B 113 12.910 -1.932 2.919 1.00 15.00 H new ATOM 0 HB3 GLN B 113 13.052 -2.754 1.377 1.00 15.00 H new ATOM 0 HG2 GLN B 113 10.728 -2.312 1.735 1.00 15.00 H new ATOM 0 HG3 GLN B 113 10.962 -4.039 1.918 1.00 15.00 H new ATOM 0 HE21 GLN B 113 10.759 -5.022 3.978 1.00 15.00 H new ATOM 0 HE22 GLN B 113 10.021 -4.167 5.337 1.00 15.00 H new ATOM 1558 N ARG B 114 13.889 -5.457 1.175 1.00 15.00 N ATOM 1559 CA ARG B 114 13.741 -6.655 0.359 1.00 15.00 C ATOM 1560 C ARG B 114 14.308 -7.876 1.075 1.00 15.00 C ATOM 1561 O ARG B 114 13.665 -8.924 1.125 1.00 15.00 O ATOM 1562 CB ARG B 114 14.423 -6.481 -1.000 1.00 15.00 C ATOM 1563 CG ARG B 114 14.268 -7.688 -1.915 1.00 15.00 C ATOM 1564 CD ARG B 114 14.845 -7.422 -3.293 1.00 15.00 C ATOM 1565 NE ARG B 114 14.025 -6.482 -4.056 1.00 15.00 N ATOM 1566 CZ ARG B 114 14.457 -5.814 -5.123 1.00 15.00 C ATOM 1567 NH1 ARG B 114 15.700 -5.983 -5.559 1.00 15.00 N1+ ATOM 1568 NH2 ARG B 114 13.642 -4.986 -5.766 1.00 15.00 N ATOM 0 H ARG B 114 14.534 -4.764 0.795 1.00 15.00 H new ATOM 0 HA ARG B 114 12.675 -6.812 0.195 1.00 15.00 H new ATOM 0 HB2 ARG B 114 14.009 -5.603 -1.496 1.00 15.00 H new ATOM 0 HB3 ARG B 114 15.484 -6.287 -0.843 1.00 15.00 H new ATOM 0 HG2 ARG B 114 14.768 -8.549 -1.471 1.00 15.00 H new ATOM 0 HG3 ARG B 114 13.212 -7.944 -2.005 1.00 15.00 H new ATOM 0 HD2 ARG B 114 15.855 -7.024 -3.193 1.00 15.00 H new ATOM 0 HD3 ARG B 114 14.925 -8.361 -3.840 1.00 15.00 H new ATOM 0 HE ARG B 114 13.063 -6.329 -3.752 1.00 15.00 H new ATOM 0 HH11 ARG B 114 16.327 -6.626 -5.076 1.00 15.00 H new ATOM 0 HH12 ARG B 114 16.028 -5.469 -6.377 1.00 15.00 H new ATOM 0 HH21 ARG B 114 12.683 -4.861 -5.442 1.00 15.00 H new ATOM 0 HH22 ARG B 114 13.975 -4.475 -6.584 1.00 15.00 H new ATOM 1582 N LEU B 115 15.503 -7.727 1.640 1.00 15.00 N ATOM 1583 CA LEU B 115 16.157 -8.818 2.353 1.00 15.00 C ATOM 1584 C LEU B 115 15.263 -9.344 3.472 1.00 15.00 C ATOM 1585 O LEU B 115 15.028 -10.549 3.578 1.00 15.00 O ATOM 1586 CB LEU B 115 17.493 -8.348 2.929 1.00 15.00 C ATOM 1587 CG LEU B 115 18.394 -9.455 3.478 1.00 15.00 C ATOM 1588 CD1 LEU B 115 18.815 -10.402 2.366 1.00 15.00 C ATOM 1589 CD2 LEU B 115 19.619 -8.859 4.153 1.00 15.00 C ATOM 0 H LEU B 115 16.038 -6.859 1.617 1.00 15.00 H new ATOM 0 HA LEU B 115 16.340 -9.627 1.646 1.00 15.00 H new ATOM 0 HB2 LEU B 115 18.037 -7.812 2.151 1.00 15.00 H new ATOM 0 HB3 LEU B 115 17.294 -7.634 3.728 1.00 15.00 H new ATOM 0 HG LEU B 115 17.828 -10.020 4.219 1.00 15.00 H new ATOM 0 HD11 LEU B 115 19.456 -11.183 2.776 1.00 15.00 H new ATOM 0 HD12 LEU B 115 17.930 -10.856 1.920 1.00 15.00 H new ATOM 0 HD13 LEU B 115 19.362 -9.847 1.603 1.00 15.00 H new ATOM 0 HD21 LEU B 115 20.249 -9.661 4.538 1.00 15.00 H new ATOM 0 HD22 LEU B 115 20.183 -8.270 3.429 1.00 15.00 H new ATOM 0 HD23 LEU B 115 19.305 -8.218 4.976 1.00 15.00 H new ATOM 1601 N LYS B 116 14.757 -8.430 4.292 1.00 15.00 N ATOM 1602 CA LYS B 116 13.881 -8.796 5.396 1.00 15.00 C ATOM 1603 C LYS B 116 12.596 -9.435 4.874 1.00 15.00 C ATOM 1604 O LYS B 116 12.095 -10.399 5.449 1.00 15.00 O ATOM 1605 CB LYS B 116 13.553 -7.564 6.242 1.00 15.00 C ATOM 1606 CG LYS B 116 12.971 -7.898 7.605 1.00 15.00 C ATOM 1607 CD LYS B 116 12.769 -6.645 8.439 1.00 15.00 C ATOM 1608 CE LYS B 116 12.539 -6.981 9.903 1.00 15.00 C ATOM 1609 NZ LYS B 116 12.409 -5.761 10.743 1.00 15.00 N1+ ATOM 0 H LYS B 116 14.939 -7.430 4.212 1.00 15.00 H new ATOM 0 HA LYS B 116 14.399 -9.524 6.020 1.00 15.00 H new ATOM 0 HB2 LYS B 116 14.460 -6.975 6.378 1.00 15.00 H new ATOM 0 HB3 LYS B 116 12.846 -6.938 5.698 1.00 15.00 H new ATOM 0 HG2 LYS B 116 12.018 -8.412 7.480 1.00 15.00 H new ATOM 0 HG3 LYS B 116 13.637 -8.583 8.129 1.00 15.00 H new ATOM 0 HD2 LYS B 116 13.643 -6.000 8.346 1.00 15.00 H new ATOM 0 HD3 LYS B 116 11.917 -6.085 8.055 1.00 15.00 H new ATOM 0 HE2 LYS B 116 11.636 -7.584 9.999 1.00 15.00 H new ATOM 0 HE3 LYS B 116 13.368 -7.587 10.270 1.00 15.00 H new ATOM 0 HZ1 LYS B 116 12.186 -6.035 11.721 1.00 15.00 H new ATOM 0 HZ2 LYS B 116 13.304 -5.232 10.727 1.00 15.00 H new ATOM 0 HZ3 LYS B 116 11.646 -5.162 10.369 1.00 15.00 H new ATOM 1623 N ASN B 117 12.083 -8.908 3.768 1.00 15.00 N ATOM 1624 CA ASN B 117 10.857 -9.420 3.167 1.00 15.00 C ATOM 1625 C ASN B 117 11.035 -10.862 2.694 1.00 15.00 C ATOM 1626 O ASN B 117 10.191 -11.714 2.960 1.00 15.00 O ATOM 1627 CB ASN B 117 10.430 -8.522 1.999 1.00 15.00 C ATOM 1628 CG ASN B 117 9.557 -9.239 0.980 1.00 15.00 C ATOM 1629 OD1 ASN B 117 8.338 -9.334 1.137 1.00 15.00 O ATOM 1630 ND2 ASN B 117 10.175 -9.733 -0.083 1.00 15.00 N ATOM 0 H ASN B 117 12.499 -8.123 3.267 1.00 15.00 H new ATOM 0 HA ASN B 117 10.075 -9.412 3.926 1.00 15.00 H new ATOM 0 HB2 ASN B 117 9.888 -7.661 2.390 1.00 15.00 H new ATOM 0 HB3 ASN B 117 11.320 -8.139 1.500 1.00 15.00 H new ATOM 0 HD21 ASN B 117 9.640 -10.212 -0.807 1.00 15.00 H new ATOM 0 HD22 ASN B 117 11.186 -9.634 -0.177 1.00 15.00 H new ATOM 1637 N GLU B 118 12.145 -11.134 2.019 1.00 15.00 N ATOM 1638 CA GLU B 118 12.412 -12.472 1.504 1.00 15.00 C ATOM 1639 C GLU B 118 12.682 -13.457 2.641 1.00 15.00 C ATOM 1640 O GLU B 118 12.315 -14.630 2.555 1.00 15.00 O ATOM 1641 CB GLU B 118 13.584 -12.443 0.524 1.00 15.00 C ATOM 1642 CG GLU B 118 13.320 -11.568 -0.693 1.00 15.00 C ATOM 1643 CD GLU B 118 14.294 -11.811 -1.829 1.00 15.00 C ATOM 1644 OE1 GLU B 118 15.457 -12.184 -1.562 1.00 15.00 O ATOM 1645 OE2 GLU B 118 13.902 -11.615 -3.002 1.00 15.00 O1- ATOM 0 H GLU B 118 12.873 -10.449 1.816 1.00 15.00 H new ATOM 0 HA GLU B 118 11.524 -12.813 0.972 1.00 15.00 H new ATOM 0 HB2 GLU B 118 14.473 -12.080 1.040 1.00 15.00 H new ATOM 0 HB3 GLU B 118 13.800 -13.459 0.194 1.00 15.00 H new ATOM 0 HG2 GLU B 118 12.306 -11.749 -1.049 1.00 15.00 H new ATOM 0 HG3 GLU B 118 13.372 -10.520 -0.397 1.00 15.00 H new ATOM 1652 N ALA B 119 13.312 -12.981 3.707 1.00 15.00 N ATOM 1653 CA ALA B 119 13.604 -13.829 4.852 1.00 15.00 C ATOM 1654 C ALA B 119 12.323 -14.132 5.627 1.00 15.00 C ATOM 1655 O ALA B 119 12.053 -15.281 5.990 1.00 15.00 O ATOM 1656 CB ALA B 119 14.629 -13.161 5.758 1.00 15.00 C ATOM 0 H ALA B 119 13.629 -12.016 3.801 1.00 15.00 H new ATOM 0 HA ALA B 119 14.022 -14.769 4.492 1.00 15.00 H new ATOM 0 HB1 ALA B 119 14.837 -13.808 6.610 1.00 15.00 H new ATOM 0 HB2 ALA B 119 15.549 -12.988 5.200 1.00 15.00 H new ATOM 0 HB3 ALA B 119 14.235 -12.209 6.113 1.00 15.00 H new ATOM 1662 N ALA B 120 11.523 -13.099 5.852 1.00 15.00 N ATOM 1663 CA ALA B 120 10.269 -13.235 6.584 1.00 15.00 C ATOM 1664 C ALA B 120 9.206 -13.939 5.748 1.00 15.00 C ATOM 1665 O ALA B 120 8.233 -14.460 6.283 1.00 15.00 O ATOM 1666 CB ALA B 120 9.767 -11.866 7.018 1.00 15.00 C ATOM 0 H ALA B 120 11.721 -12.150 5.536 1.00 15.00 H new ATOM 0 HA ALA B 120 10.462 -13.847 7.465 1.00 15.00 H new ATOM 0 HB1 ALA B 120 8.830 -11.978 7.564 1.00 15.00 H new ATOM 0 HB2 ALA B 120 10.508 -11.394 7.663 1.00 15.00 H new ATOM 0 HB3 ALA B 120 9.602 -11.243 6.139 1.00 15.00 H new ATOM 1672 N GLU B 121 9.413 -13.961 4.439 1.00 15.00 N ATOM 1673 CA GLU B 121 8.482 -14.587 3.495 1.00 15.00 C ATOM 1674 C GLU B 121 8.149 -16.034 3.878 1.00 15.00 C ATOM 1675 O GLU B 121 7.093 -16.549 3.513 1.00 15.00 O ATOM 1676 CB GLU B 121 9.082 -14.547 2.090 1.00 15.00 C ATOM 1677 CG GLU B 121 8.078 -14.749 0.970 1.00 15.00 C ATOM 1678 CD GLU B 121 8.659 -14.379 -0.377 1.00 15.00 C ATOM 1679 OE1 GLU B 121 8.632 -13.180 -0.726 1.00 15.00 O ATOM 1680 OE2 GLU B 121 9.150 -15.280 -1.085 1.00 15.00 O1- ATOM 0 H GLU B 121 10.232 -13.546 3.995 1.00 15.00 H new ATOM 0 HA GLU B 121 7.550 -14.023 3.525 1.00 15.00 H new ATOM 0 HB2 GLU B 121 9.577 -13.587 1.948 1.00 15.00 H new ATOM 0 HB3 GLU B 121 9.850 -15.316 2.015 1.00 15.00 H new ATOM 0 HG2 GLU B 121 7.756 -15.790 0.954 1.00 15.00 H new ATOM 0 HG3 GLU B 121 7.192 -14.144 1.162 1.00 15.00 H new ATOM 1687 N GLU B 122 9.047 -16.672 4.616 1.00 15.00 N ATOM 1688 CA GLU B 122 8.858 -18.053 5.040 1.00 15.00 C ATOM 1689 C GLU B 122 7.596 -18.212 5.898 1.00 15.00 C ATOM 1690 O GLU B 122 6.615 -18.816 5.458 1.00 15.00 O ATOM 1691 CB GLU B 122 10.088 -18.528 5.812 1.00 15.00 C ATOM 1692 CG GLU B 122 10.391 -20.005 5.629 1.00 15.00 C ATOM 1693 CD GLU B 122 11.857 -20.261 5.358 1.00 15.00 C ATOM 1694 OE1 GLU B 122 12.694 -19.913 6.215 1.00 15.00 O ATOM 1695 OE2 GLU B 122 12.182 -20.808 4.288 1.00 15.00 O1- ATOM 0 H GLU B 122 9.920 -16.252 4.936 1.00 15.00 H new ATOM 0 HA GLU B 122 8.729 -18.667 4.149 1.00 15.00 H new ATOM 0 HB2 GLU B 122 10.953 -17.947 5.493 1.00 15.00 H new ATOM 0 HB3 GLU B 122 9.941 -18.325 6.873 1.00 15.00 H new ATOM 0 HG2 GLU B 122 10.089 -20.549 6.524 1.00 15.00 H new ATOM 0 HG3 GLU B 122 9.797 -20.396 4.803 1.00 15.00 H new ATOM 1702 N ALA B 123 7.613 -17.666 7.113 1.00 15.00 N ATOM 1703 CA ALA B 123 6.460 -17.778 8.008 1.00 15.00 C ATOM 1704 C ALA B 123 6.153 -16.465 8.729 1.00 15.00 C ATOM 1705 O ALA B 123 5.154 -16.353 9.444 1.00 15.00 O ATOM 1706 CB ALA B 123 6.683 -18.894 9.020 1.00 15.00 C ATOM 0 H ALA B 123 8.402 -17.147 7.498 1.00 15.00 H new ATOM 0 HA ALA B 123 5.595 -18.017 7.389 1.00 15.00 H new ATOM 0 HB1 ALA B 123 5.818 -18.966 9.679 1.00 15.00 H new ATOM 0 HB2 ALA B 123 6.819 -19.840 8.495 1.00 15.00 H new ATOM 0 HB3 ALA B 123 7.572 -18.676 9.611 1.00 15.00 H new ATOM 1712 N GLU B 124 7.003 -15.468 8.530 1.00 15.00 N ATOM 1713 CA GLU B 124 6.827 -14.168 9.164 1.00 15.00 C ATOM 1714 C GLU B 124 6.151 -13.192 8.207 1.00 15.00 C ATOM 1715 O GLU B 124 6.092 -11.995 8.474 1.00 15.00 O ATOM 1716 CB GLU B 124 8.179 -13.604 9.595 1.00 15.00 C ATOM 1717 CG GLU B 124 8.750 -14.249 10.842 1.00 15.00 C ATOM 1718 CD GLU B 124 8.125 -13.710 12.110 1.00 15.00 C ATOM 1719 OE1 GLU B 124 7.529 -14.505 12.866 1.00 15.00 O ATOM 1720 OE2 GLU B 124 8.230 -12.493 12.358 1.00 15.00 O1- ATOM 0 H GLU B 124 7.826 -15.535 7.931 1.00 15.00 H new ATOM 0 HA GLU B 124 6.194 -14.300 10.042 1.00 15.00 H new ATOM 0 HB2 GLU B 124 8.889 -13.727 8.777 1.00 15.00 H new ATOM 0 HB3 GLU B 124 8.075 -12.533 9.768 1.00 15.00 H new ATOM 0 HG2 GLU B 124 8.595 -15.327 10.794 1.00 15.00 H new ATOM 0 HG3 GLU B 124 9.827 -14.083 10.872 1.00 15.00 H new ATOM 1727 N LEU B 125 5.638 -13.717 7.096 1.00 15.00 N ATOM 1728 CA LEU B 125 4.984 -12.901 6.076 1.00 15.00 C ATOM 1729 C LEU B 125 3.821 -12.096 6.651 1.00 15.00 C ATOM 1730 O LEU B 125 3.606 -10.943 6.272 1.00 15.00 O ATOM 1731 CB LEU B 125 4.486 -13.786 4.929 1.00 15.00 C ATOM 1732 CG LEU B 125 3.852 -13.038 3.754 1.00 15.00 C ATOM 1733 CD1 LEU B 125 4.909 -12.275 2.965 1.00 15.00 C ATOM 1734 CD2 LEU B 125 3.096 -14.006 2.858 1.00 15.00 C ATOM 0 H LEU B 125 5.664 -14.713 6.879 1.00 15.00 H new ATOM 0 HA LEU B 125 5.724 -12.196 5.698 1.00 15.00 H new ATOM 0 HB2 LEU B 125 5.325 -14.373 4.555 1.00 15.00 H new ATOM 0 HB3 LEU B 125 3.756 -14.491 5.326 1.00 15.00 H new ATOM 0 HG LEU B 125 3.142 -12.311 4.149 1.00 15.00 H new ATOM 0 HD11 LEU B 125 4.436 -11.751 2.135 1.00 15.00 H new ATOM 0 HD12 LEU B 125 5.399 -11.553 3.618 1.00 15.00 H new ATOM 0 HD13 LEU B 125 5.649 -12.975 2.577 1.00 15.00 H new ATOM 0 HD21 LEU B 125 2.650 -13.460 2.027 1.00 15.00 H new ATOM 0 HD22 LEU B 125 3.785 -14.757 2.471 1.00 15.00 H new ATOM 0 HD23 LEU B 125 2.310 -14.496 3.433 1.00 15.00 H new ATOM 1746 N GLU B 126 3.084 -12.701 7.571 1.00 15.00 N ATOM 1747 CA GLU B 126 1.943 -12.037 8.186 1.00 15.00 C ATOM 1748 C GLU B 126 2.393 -10.864 9.048 1.00 15.00 C ATOM 1749 O GLU B 126 1.736 -9.828 9.088 1.00 15.00 O ATOM 1750 CB GLU B 126 1.122 -13.027 9.008 1.00 15.00 C ATOM 1751 CG GLU B 126 0.469 -14.112 8.166 1.00 15.00 C ATOM 1752 CD GLU B 126 -0.440 -13.550 7.088 1.00 15.00 C ATOM 1753 OE1 GLU B 126 -1.675 -13.569 7.274 1.00 15.00 O ATOM 1754 OE2 GLU B 126 0.071 -13.089 6.046 1.00 15.00 O1- ATOM 0 H GLU B 126 3.255 -13.649 7.908 1.00 15.00 H new ATOM 0 HA GLU B 126 1.311 -11.646 7.389 1.00 15.00 H new ATOM 0 HB2 GLU B 126 1.767 -13.493 9.752 1.00 15.00 H new ATOM 0 HB3 GLU B 126 0.349 -12.484 9.552 1.00 15.00 H new ATOM 0 HG2 GLU B 126 1.244 -14.721 7.701 1.00 15.00 H new ATOM 0 HG3 GLU B 126 -0.108 -14.771 8.814 1.00 15.00 H new ATOM 1761 N ARG B 127 3.518 -11.016 9.724 1.00 15.00 N ATOM 1762 CA ARG B 127 4.028 -9.944 10.560 1.00 15.00 C ATOM 1763 C ARG B 127 4.775 -8.927 9.705 1.00 15.00 C ATOM 1764 O ARG B 127 4.881 -7.754 10.069 1.00 15.00 O ATOM 1765 CB ARG B 127 4.938 -10.495 11.653 1.00 15.00 C ATOM 1766 CG ARG B 127 5.082 -9.557 12.838 1.00 15.00 C ATOM 1767 CD ARG B 127 6.279 -9.923 13.694 1.00 15.00 C ATOM 1768 NE ARG B 127 7.502 -10.012 12.901 1.00 15.00 N ATOM 1769 CZ ARG B 127 8.217 -8.959 12.506 1.00 15.00 C ATOM 1770 NH1 ARG B 127 7.841 -7.730 12.829 1.00 15.00 N1+ ATOM 1771 NH2 ARG B 127 9.317 -9.128 11.789 1.00 15.00 N ATOM 0 H ARG B 127 4.090 -11.860 9.712 1.00 15.00 H new ATOM 0 HA ARG B 127 3.185 -9.448 11.042 1.00 15.00 H new ATOM 0 HB2 ARG B 127 4.543 -11.450 11.999 1.00 15.00 H new ATOM 0 HB3 ARG B 127 5.924 -10.692 11.232 1.00 15.00 H new ATOM 0 HG2 ARG B 127 5.188 -8.532 12.482 1.00 15.00 H new ATOM 0 HG3 ARG B 127 4.176 -9.592 13.443 1.00 15.00 H new ATOM 0 HD2 ARG B 127 6.407 -9.177 14.479 1.00 15.00 H new ATOM 0 HD3 ARG B 127 6.095 -10.877 14.188 1.00 15.00 H new ATOM 0 HE ARG B 127 7.830 -10.940 12.632 1.00 15.00 H new ATOM 0 HH11 ARG B 127 6.998 -7.584 13.384 1.00 15.00 H new ATOM 0 HH12 ARG B 127 8.395 -6.930 12.522 1.00 15.00 H new ATOM 0 HH21 ARG B 127 9.621 -10.068 11.536 1.00 15.00 H new ATOM 0 HH22 ARG B 127 9.860 -8.318 11.490 1.00 15.00 H new ATOM 1785 N LEU B 128 5.278 -9.388 8.564 1.00 15.00 N ATOM 1786 CA LEU B 128 6.006 -8.541 7.622 1.00 15.00 C ATOM 1787 C LEU B 128 5.119 -7.395 7.152 1.00 15.00 C ATOM 1788 O LEU B 128 5.508 -6.229 7.228 1.00 15.00 O ATOM 1789 CB LEU B 128 6.492 -9.393 6.424 1.00 15.00 C ATOM 1790 CG LEU B 128 7.348 -8.688 5.353 1.00 15.00 C ATOM 1791 CD1 LEU B 128 6.476 -8.119 4.238 1.00 15.00 C ATOM 1792 CD2 LEU B 128 8.214 -7.594 5.969 1.00 15.00 C ATOM 0 H LEU B 128 5.193 -10.360 8.265 1.00 15.00 H new ATOM 0 HA LEU B 128 6.876 -8.112 8.119 1.00 15.00 H new ATOM 0 HB2 LEU B 128 7.068 -10.230 6.818 1.00 15.00 H new ATOM 0 HB3 LEU B 128 5.615 -9.813 5.931 1.00 15.00 H new ATOM 0 HG LEU B 128 8.010 -9.437 4.918 1.00 15.00 H new ATOM 0 HD11 LEU B 128 7.107 -7.628 3.497 1.00 15.00 H new ATOM 0 HD12 LEU B 128 5.920 -8.927 3.762 1.00 15.00 H new ATOM 0 HD13 LEU B 128 5.777 -7.395 4.656 1.00 15.00 H new ATOM 0 HD21 LEU B 128 8.806 -7.116 5.189 1.00 15.00 H new ATOM 0 HD22 LEU B 128 7.576 -6.851 6.447 1.00 15.00 H new ATOM 0 HD23 LEU B 128 8.880 -8.032 6.712 1.00 15.00 H new ATOM 1804 N LYS B 129 3.917 -7.728 6.694 1.00 15.00 N ATOM 1805 CA LYS B 129 2.985 -6.716 6.212 1.00 15.00 C ATOM 1806 C LYS B 129 2.588 -5.754 7.341 1.00 15.00 C ATOM 1807 O LYS B 129 2.503 -4.543 7.134 1.00 15.00 O ATOM 1808 CB LYS B 129 1.755 -7.376 5.571 1.00 15.00 C ATOM 1809 CG LYS B 129 0.778 -8.002 6.554 1.00 15.00 C ATOM 1810 CD LYS B 129 0.564 -9.486 6.279 1.00 15.00 C ATOM 1811 CE LYS B 129 -0.217 -9.724 4.999 1.00 15.00 C ATOM 1812 NZ LYS B 129 -1.101 -10.918 5.107 1.00 15.00 N1+ ATOM 0 H LYS B 129 3.567 -8.685 6.647 1.00 15.00 H new ATOM 0 HA LYS B 129 3.483 -6.126 5.443 1.00 15.00 H new ATOM 0 HB2 LYS B 129 1.225 -6.628 4.982 1.00 15.00 H new ATOM 0 HB3 LYS B 129 2.094 -8.146 4.878 1.00 15.00 H new ATOM 0 HG2 LYS B 129 1.152 -7.872 7.570 1.00 15.00 H new ATOM 0 HG3 LYS B 129 -0.178 -7.481 6.497 1.00 15.00 H new ATOM 0 HD2 LYS B 129 1.531 -9.985 6.211 1.00 15.00 H new ATOM 0 HD3 LYS B 129 0.032 -9.936 7.117 1.00 15.00 H new ATOM 0 HE2 LYS B 129 -0.819 -8.845 4.771 1.00 15.00 H new ATOM 0 HE3 LYS B 129 0.477 -9.859 4.169 1.00 15.00 H new ATOM 0 HZ1 LYS B 129 -1.728 -10.962 4.278 1.00 15.00 H new ATOM 0 HZ2 LYS B 129 -0.519 -11.779 5.147 1.00 15.00 H new ATOM 0 HZ3 LYS B 129 -1.675 -10.848 5.972 1.00 15.00 H new ATOM 1826 N SER B 130 2.393 -6.292 8.543 1.00 15.00 N ATOM 1827 CA SER B 130 2.021 -5.476 9.691 1.00 15.00 C ATOM 1828 C SER B 130 3.147 -4.505 10.061 1.00 15.00 C ATOM 1829 O SER B 130 2.903 -3.333 10.366 1.00 15.00 O ATOM 1830 CB SER B 130 1.694 -6.371 10.883 1.00 15.00 C ATOM 1831 OG SER B 130 0.992 -7.529 10.468 1.00 15.00 O ATOM 0 H SER B 130 2.487 -7.287 8.745 1.00 15.00 H new ATOM 0 HA SER B 130 1.139 -4.893 9.425 1.00 15.00 H new ATOM 0 HB2 SER B 130 2.615 -6.661 11.389 1.00 15.00 H new ATOM 0 HB3 SER B 130 1.095 -5.817 11.605 1.00 15.00 H new ATOM 0 HG SER B 130 1.629 -8.198 10.140 1.00 15.00 H new ATOM 1837 N GLU B 131 4.380 -5.002 10.035 1.00 15.00 N ATOM 1838 CA GLU B 131 5.538 -4.185 10.357 1.00 15.00 C ATOM 1839 C GLU B 131 5.707 -3.095 9.309 1.00 15.00 C ATOM 1840 O GLU B 131 5.969 -1.939 9.639 1.00 15.00 O ATOM 1841 CB GLU B 131 6.800 -5.045 10.429 1.00 15.00 C ATOM 1842 CG GLU B 131 7.965 -4.348 11.110 1.00 15.00 C ATOM 1843 CD GLU B 131 9.258 -5.131 11.005 1.00 15.00 C ATOM 1844 OE1 GLU B 131 9.543 -5.943 11.910 1.00 15.00 O ATOM 1845 OE2 GLU B 131 10.001 -4.927 10.026 1.00 15.00 O1- ATOM 0 H GLU B 131 4.600 -5.968 9.794 1.00 15.00 H new ATOM 0 HA GLU B 131 5.380 -3.724 11.332 1.00 15.00 H new ATOM 0 HB2 GLU B 131 6.573 -5.966 10.966 1.00 15.00 H new ATOM 0 HB3 GLU B 131 7.096 -5.329 9.419 1.00 15.00 H new ATOM 0 HG2 GLU B 131 8.104 -3.363 10.664 1.00 15.00 H new ATOM 0 HG3 GLU B 131 7.725 -4.191 12.162 1.00 15.00 H new ATOM 1852 N ARG B 132 5.528 -3.475 8.046 1.00 15.00 N ATOM 1853 CA ARG B 132 5.650 -2.546 6.930 1.00 15.00 C ATOM 1854 C ARG B 132 4.702 -1.366 7.116 1.00 15.00 C ATOM 1855 O ARG B 132 5.075 -0.216 6.897 1.00 15.00 O ATOM 1856 CB ARG B 132 5.341 -3.268 5.611 1.00 15.00 C ATOM 1857 CG ARG B 132 5.788 -2.506 4.371 1.00 15.00 C ATOM 1858 CD ARG B 132 4.695 -1.591 3.841 1.00 15.00 C ATOM 1859 NE ARG B 132 5.253 -0.459 3.105 1.00 15.00 N ATOM 1860 CZ ARG B 132 5.714 -0.526 1.860 1.00 15.00 C ATOM 1861 NH1 ARG B 132 5.690 -1.673 1.192 1.00 15.00 N1+ ATOM 1862 NH2 ARG B 132 6.192 0.561 1.283 1.00 15.00 N ATOM 0 H ARG B 132 5.296 -4.429 7.771 1.00 15.00 H new ATOM 0 HA ARG B 132 6.672 -2.169 6.898 1.00 15.00 H new ATOM 0 HB2 ARG B 132 5.826 -4.244 5.620 1.00 15.00 H new ATOM 0 HB3 ARG B 132 4.267 -3.446 5.549 1.00 15.00 H new ATOM 0 HG2 ARG B 132 6.673 -1.915 4.608 1.00 15.00 H new ATOM 0 HG3 ARG B 132 6.076 -3.214 3.594 1.00 15.00 H new ATOM 0 HD2 ARG B 132 4.030 -2.157 3.189 1.00 15.00 H new ATOM 0 HD3 ARG B 132 4.092 -1.224 4.672 1.00 15.00 H new ATOM 0 HE ARG B 132 5.291 0.444 3.578 1.00 15.00 H new ATOM 0 HH11 ARG B 132 5.316 -2.513 1.634 1.00 15.00 H new ATOM 0 HH12 ARG B 132 6.046 -1.715 0.237 1.00 15.00 H new ATOM 0 HH21 ARG B 132 6.206 1.445 1.792 1.00 15.00 H new ATOM 0 HH22 ARG B 132 6.547 0.517 0.328 1.00 15.00 H new ATOM 1876 N HIS B 133 3.480 -1.677 7.521 1.00 15.00 N ATOM 1877 CA HIS B 133 2.445 -0.675 7.754 1.00 15.00 C ATOM 1878 C HIS B 133 2.906 0.412 8.725 1.00 15.00 C ATOM 1879 O HIS B 133 2.846 1.605 8.414 1.00 15.00 O ATOM 1880 CB HIS B 133 1.198 -1.352 8.323 1.00 15.00 C ATOM 1881 CG HIS B 133 -0.020 -1.229 7.457 1.00 15.00 C ATOM 1882 ND1 HIS B 133 -1.205 -0.729 7.950 1.00 15.00 N ATOM 1883 CD2 HIS B 133 -0.192 -1.571 6.156 1.00 15.00 C ATOM 1884 CE1 HIS B 133 -2.065 -0.784 6.944 1.00 15.00 C ATOM 1885 NE2 HIS B 133 -1.496 -1.285 5.844 1.00 15.00 N ATOM 0 H HIS B 133 3.175 -2.634 7.699 1.00 15.00 H new ATOM 0 HA HIS B 133 2.225 -0.203 6.797 1.00 15.00 H new ATOM 0 HB2 HIS B 133 1.412 -2.409 8.480 1.00 15.00 H new ATOM 0 HB3 HIS B 133 0.979 -0.922 9.301 1.00 15.00 H new ATOM 0 HD2 HIS B 133 0.553 -1.988 5.494 1.00 15.00 H new ATOM 0 HE1 HIS B 133 -3.095 -0.465 7.005 1.00 15.00 H new ATOM 0 HE2 HIS B 133 -1.947 -1.428 4.941 1.00 15.00 H new ATOM 1893 N ASP B 134 3.379 -0.005 9.892 1.00 15.00 N ATOM 1894 CA ASP B 134 3.816 0.937 10.920 1.00 15.00 C ATOM 1895 C ASP B 134 5.162 1.572 10.579 1.00 15.00 C ATOM 1896 O ASP B 134 5.416 2.723 10.926 1.00 15.00 O ATOM 1897 CB ASP B 134 3.900 0.251 12.283 1.00 15.00 C ATOM 1898 CG ASP B 134 3.838 1.248 13.424 1.00 15.00 C ATOM 1899 OD1 ASP B 134 4.727 1.211 14.301 1.00 15.00 O ATOM 1900 OD2 ASP B 134 2.901 2.070 13.448 1.00 15.00 O1- ATOM 0 H ASP B 134 3.471 -0.987 10.152 1.00 15.00 H new ATOM 0 HA ASP B 134 3.070 1.730 10.961 1.00 15.00 H new ATOM 0 HB2 ASP B 134 3.083 -0.463 12.381 1.00 15.00 H new ATOM 0 HB3 ASP B 134 4.828 -0.316 12.347 1.00 15.00 H new ATOM 1905 N HIS B 135 6.018 0.829 9.901 1.00 15.00 N ATOM 1906 CA HIS B 135 7.332 1.342 9.527 1.00 15.00 C ATOM 1907 C HIS B 135 7.212 2.423 8.461 1.00 15.00 C ATOM 1908 O HIS B 135 7.910 3.435 8.511 1.00 15.00 O ATOM 1909 CB HIS B 135 8.235 0.211 9.030 1.00 15.00 C ATOM 1910 CG HIS B 135 9.017 -0.450 10.125 1.00 15.00 C ATOM 1911 ND1 HIS B 135 10.209 -1.085 9.872 1.00 15.00 N ATOM 1912 CD2 HIS B 135 8.734 -0.550 11.449 1.00 15.00 C ATOM 1913 CE1 HIS B 135 10.622 -1.556 11.036 1.00 15.00 C ATOM 1914 NE2 HIS B 135 9.766 -1.252 12.017 1.00 15.00 N ATOM 0 H HIS B 135 5.832 -0.127 9.598 1.00 15.00 H new ATOM 0 HA HIS B 135 7.782 1.783 10.416 1.00 15.00 H new ATOM 0 HB2 HIS B 135 7.623 -0.538 8.527 1.00 15.00 H new ATOM 0 HB3 HIS B 135 8.927 0.608 8.288 1.00 15.00 H new ATOM 0 HD2 HIS B 135 7.866 -0.154 11.956 1.00 15.00 H new ATOM 0 HE1 HIS B 135 11.535 -2.115 11.177 1.00 15.00 H new ATOM 0 HE2 HIS B 135 9.862 -1.496 13.003 1.00 15.00 H new ATOM 1922 N ASP B 136 6.306 2.213 7.514 1.00 15.00 N ATOM 1923 CA ASP B 136 6.091 3.167 6.429 1.00 15.00 C ATOM 1924 C ASP B 136 5.635 4.516 6.972 1.00 15.00 C ATOM 1925 O ASP B 136 6.126 5.561 6.548 1.00 15.00 O ATOM 1926 CB ASP B 136 5.048 2.637 5.445 1.00 15.00 C ATOM 1927 CG ASP B 136 5.245 3.179 4.042 1.00 15.00 C ATOM 1928 OD1 ASP B 136 5.633 2.391 3.152 1.00 15.00 O ATOM 1929 OD2 ASP B 136 5.011 4.379 3.817 1.00 15.00 O1- ATOM 0 H ASP B 136 5.706 1.389 7.474 1.00 15.00 H new ATOM 0 HA ASP B 136 7.041 3.298 5.910 1.00 15.00 H new ATOM 0 HB2 ASP B 136 5.096 1.548 5.421 1.00 15.00 H new ATOM 0 HB3 ASP B 136 4.052 2.904 5.798 1.00 15.00 H new ATOM 1934 N LYS B 137 4.714 4.487 7.934 1.00 15.00 N ATOM 1935 CA LYS B 137 4.194 5.716 8.524 1.00 15.00 C ATOM 1936 C LYS B 137 5.283 6.446 9.311 1.00 15.00 C ATOM 1937 O LYS B 137 5.177 7.647 9.563 1.00 15.00 O ATOM 1938 CB LYS B 137 2.981 5.429 9.419 1.00 15.00 C ATOM 1939 CG LYS B 137 3.339 4.930 10.808 1.00 15.00 C ATOM 1940 CD LYS B 137 2.122 4.851 11.716 1.00 15.00 C ATOM 1941 CE LYS B 137 1.144 3.774 11.272 1.00 15.00 C ATOM 1942 NZ LYS B 137 0.638 2.980 12.422 1.00 15.00 N1+ ATOM 0 H LYS B 137 4.315 3.630 8.319 1.00 15.00 H new ATOM 0 HA LYS B 137 3.868 6.364 7.710 1.00 15.00 H new ATOM 0 HB2 LYS B 137 2.389 6.339 9.513 1.00 15.00 H new ATOM 0 HB3 LYS B 137 2.350 4.687 8.930 1.00 15.00 H new ATOM 0 HG2 LYS B 137 3.799 3.945 10.732 1.00 15.00 H new ATOM 0 HG3 LYS B 137 4.080 5.594 11.252 1.00 15.00 H new ATOM 0 HD2 LYS B 137 2.445 4.648 12.737 1.00 15.00 H new ATOM 0 HD3 LYS B 137 1.616 5.816 11.728 1.00 15.00 H new ATOM 0 HE2 LYS B 137 0.305 4.237 10.753 1.00 15.00 H new ATOM 0 HE3 LYS B 137 1.633 3.110 10.559 1.00 15.00 H new ATOM 0 HZ1 LYS B 137 0.262 2.073 12.079 1.00 15.00 H new ATOM 0 HZ2 LYS B 137 1.415 2.802 13.090 1.00 15.00 H new ATOM 0 HZ3 LYS B 137 -0.117 3.509 12.903 1.00 15.00 H new ATOM 1956 N LYS B 138 6.329 5.725 9.698 1.00 15.00 N ATOM 1957 CA LYS B 138 7.431 6.323 10.436 1.00 15.00 C ATOM 1958 C LYS B 138 8.420 6.941 9.456 1.00 15.00 C ATOM 1959 O LYS B 138 9.064 7.949 9.745 1.00 15.00 O ATOM 1960 CB LYS B 138 8.122 5.274 11.308 1.00 15.00 C ATOM 1961 CG LYS B 138 9.119 5.853 12.302 1.00 15.00 C ATOM 1962 CD LYS B 138 8.499 6.964 13.145 1.00 15.00 C ATOM 1963 CE LYS B 138 9.468 7.486 14.195 1.00 15.00 C ATOM 1964 NZ LYS B 138 9.725 6.485 15.263 1.00 15.00 N1+ ATOM 0 H LYS B 138 6.436 4.728 9.513 1.00 15.00 H new ATOM 0 HA LYS B 138 7.043 7.103 11.091 1.00 15.00 H new ATOM 0 HB2 LYS B 138 7.363 4.714 11.855 1.00 15.00 H new ATOM 0 HB3 LYS B 138 8.639 4.564 10.663 1.00 15.00 H new ATOM 0 HG2 LYS B 138 9.482 5.060 12.956 1.00 15.00 H new ATOM 0 HG3 LYS B 138 9.983 6.244 11.764 1.00 15.00 H new ATOM 0 HD2 LYS B 138 8.191 7.784 12.496 1.00 15.00 H new ATOM 0 HD3 LYS B 138 7.600 6.590 13.635 1.00 15.00 H new ATOM 0 HE2 LYS B 138 10.410 7.756 13.717 1.00 15.00 H new ATOM 0 HE3 LYS B 138 9.065 8.395 14.640 1.00 15.00 H new ATOM 0 HZ1 LYS B 138 10.265 6.930 16.033 1.00 15.00 H new ATOM 0 HZ2 LYS B 138 8.819 6.133 15.634 1.00 15.00 H new ATOM 0 HZ3 LYS B 138 10.271 5.691 14.871 1.00 15.00 H new ATOM 1978 N GLU B 139 8.517 6.329 8.284 1.00 15.00 N ATOM 1979 CA GLU B 139 9.403 6.806 7.234 1.00 15.00 C ATOM 1980 C GLU B 139 8.819 8.040 6.558 1.00 15.00 C ATOM 1981 O GLU B 139 9.494 8.689 5.771 1.00 15.00 O ATOM 1982 CB GLU B 139 9.630 5.713 6.187 1.00 15.00 C ATOM 1983 CG GLU B 139 10.487 4.560 6.679 1.00 15.00 C ATOM 1984 CD GLU B 139 11.949 4.933 6.810 1.00 15.00 C ATOM 1985 OE1 GLU B 139 12.579 5.274 5.783 1.00 15.00 O ATOM 1986 OE2 GLU B 139 12.476 4.880 7.938 1.00 15.00 O1- ATOM 0 H GLU B 139 7.987 5.493 8.036 1.00 15.00 H new ATOM 0 HA GLU B 139 10.357 7.068 7.692 1.00 15.00 H new ATOM 0 HB2 GLU B 139 8.664 5.324 5.866 1.00 15.00 H new ATOM 0 HB3 GLU B 139 10.102 6.156 5.310 1.00 15.00 H new ATOM 0 HG2 GLU B 139 10.114 4.222 7.646 1.00 15.00 H new ATOM 0 HG3 GLU B 139 10.391 3.721 5.990 1.00 15.00 H new ATOM 1993 N ALA B 140 7.570 8.359 6.885 1.00 15.00 N ATOM 1994 CA ALA B 140 6.884 9.513 6.307 1.00 15.00 C ATOM 1995 C ALA B 140 7.668 10.801 6.532 1.00 15.00 C ATOM 1996 O ALA B 140 8.064 11.474 5.578 1.00 15.00 O ATOM 1997 CB ALA B 140 5.488 9.638 6.898 1.00 15.00 C ATOM 0 H ALA B 140 7.008 7.831 7.552 1.00 15.00 H new ATOM 0 HA ALA B 140 6.808 9.354 5.231 1.00 15.00 H new ATOM 0 HB1 ALA B 140 4.984 10.500 6.462 1.00 15.00 H new ATOM 0 HB2 ALA B 140 4.918 8.735 6.679 1.00 15.00 H new ATOM 0 HB3 ALA B 140 5.560 9.768 7.978 1.00 15.00 H new ATOM 2003 N GLU B 141 7.903 11.136 7.792 1.00 15.00 N ATOM 2004 CA GLU B 141 8.642 12.343 8.124 1.00 15.00 C ATOM 2005 C GLU B 141 10.136 12.123 7.955 1.00 15.00 C ATOM 2006 O GLU B 141 10.867 13.028 7.557 1.00 15.00 O ATOM 2007 CB GLU B 141 8.353 12.785 9.558 1.00 15.00 C ATOM 2008 CG GLU B 141 6.879 12.994 9.851 1.00 15.00 C ATOM 2009 CD GLU B 141 6.192 11.747 10.366 1.00 15.00 C ATOM 2010 OE1 GLU B 141 4.999 11.834 10.722 1.00 15.00 O ATOM 2011 OE2 GLU B 141 6.837 10.679 10.422 1.00 15.00 O1- ATOM 0 H GLU B 141 7.594 10.591 8.597 1.00 15.00 H new ATOM 0 HA GLU B 141 8.316 13.126 7.440 1.00 15.00 H new ATOM 0 HB2 GLU B 141 8.748 12.036 10.245 1.00 15.00 H new ATOM 0 HB3 GLU B 141 8.888 13.714 9.757 1.00 15.00 H new ATOM 0 HG2 GLU B 141 6.771 13.791 10.587 1.00 15.00 H new ATOM 0 HG3 GLU B 141 6.378 13.328 8.942 1.00 15.00 H new ATOM 2018 N ARG B 142 10.588 10.915 8.256 1.00 15.00 N ATOM 2019 CA ARG B 142 12.000 10.589 8.154 1.00 15.00 C ATOM 2020 C ARG B 142 12.498 10.724 6.718 1.00 15.00 C ATOM 2021 O ARG B 142 13.506 11.382 6.470 1.00 15.00 O ATOM 2022 CB ARG B 142 12.262 9.181 8.687 1.00 15.00 C ATOM 2023 CG ARG B 142 13.500 9.104 9.565 1.00 15.00 C ATOM 2024 CD ARG B 142 13.858 7.670 9.932 1.00 15.00 C ATOM 2025 NE ARG B 142 14.072 6.831 8.750 1.00 15.00 N ATOM 2026 CZ ARG B 142 15.126 6.922 7.938 1.00 15.00 C ATOM 2027 NH1 ARG B 142 16.079 7.815 8.168 1.00 15.00 N1+ ATOM 2028 NH2 ARG B 142 15.219 6.115 6.887 1.00 15.00 N ATOM 0 H ARG B 142 9.997 10.146 8.572 1.00 15.00 H new ATOM 0 HA ARG B 142 12.555 11.301 8.765 1.00 15.00 H new ATOM 0 HB2 ARG B 142 11.396 8.847 9.258 1.00 15.00 H new ATOM 0 HB3 ARG B 142 12.374 8.495 7.848 1.00 15.00 H new ATOM 0 HG2 ARG B 142 14.340 9.565 9.046 1.00 15.00 H new ATOM 0 HG3 ARG B 142 13.334 9.679 10.476 1.00 15.00 H new ATOM 0 HD2 ARG B 142 14.760 7.668 10.544 1.00 15.00 H new ATOM 0 HD3 ARG B 142 13.060 7.242 10.539 1.00 15.00 H new ATOM 0 HE ARG B 142 13.365 6.128 8.533 1.00 15.00 H new ATOM 0 HH11 ARG B 142 16.010 8.440 8.971 1.00 15.00 H new ATOM 0 HH12 ARG B 142 16.881 7.877 7.541 1.00 15.00 H new ATOM 0 HH21 ARG B 142 14.486 5.430 6.704 1.00 15.00 H new ATOM 0 HH22 ARG B 142 16.023 6.181 6.263 1.00 15.00 H new ATOM 2042 N LYS B 143 11.775 10.136 5.770 1.00 15.00 N ATOM 2043 CA LYS B 143 12.161 10.195 4.363 1.00 15.00 C ATOM 2044 C LYS B 143 12.016 11.606 3.818 1.00 15.00 C ATOM 2045 O LYS B 143 12.791 12.022 2.963 1.00 15.00 O ATOM 2046 CB LYS B 143 11.328 9.228 3.521 1.00 15.00 C ATOM 2047 CG LYS B 143 11.906 7.824 3.449 1.00 15.00 C ATOM 2048 CD LYS B 143 13.152 7.787 2.577 1.00 15.00 C ATOM 2049 CE LYS B 143 13.793 6.412 2.577 1.00 15.00 C ATOM 2050 NZ LYS B 143 14.316 6.050 3.918 1.00 15.00 N1+ ATOM 0 H LYS B 143 10.918 9.613 5.950 1.00 15.00 H new ATOM 0 HA LYS B 143 13.208 9.899 4.300 1.00 15.00 H new ATOM 0 HB2 LYS B 143 10.321 9.176 3.934 1.00 15.00 H new ATOM 0 HB3 LYS B 143 11.237 9.626 2.510 1.00 15.00 H new ATOM 0 HG2 LYS B 143 12.151 7.477 4.453 1.00 15.00 H new ATOM 0 HG3 LYS B 143 11.158 7.140 3.048 1.00 15.00 H new ATOM 0 HD2 LYS B 143 12.891 8.067 1.557 1.00 15.00 H new ATOM 0 HD3 LYS B 143 13.870 8.524 2.936 1.00 15.00 H new ATOM 0 HE2 LYS B 143 13.061 5.669 2.259 1.00 15.00 H new ATOM 0 HE3 LYS B 143 14.606 6.389 1.851 1.00 15.00 H new ATOM 0 HZ1 LYS B 143 15.024 5.294 3.822 1.00 15.00 H new ATOM 0 HZ2 LYS B 143 14.757 6.884 4.355 1.00 15.00 H new ATOM 0 HZ3 LYS B 143 13.534 5.718 4.518 1.00 15.00 H new ATOM 2064 N ALA B 144 11.028 12.339 4.323 1.00 15.00 N ATOM 2065 CA ALA B 144 10.788 13.710 3.882 1.00 15.00 C ATOM 2066 C ALA B 144 12.037 14.569 4.054 1.00 15.00 C ATOM 2067 O ALA B 144 12.404 15.335 3.162 1.00 15.00 O ATOM 2068 CB ALA B 144 9.621 14.317 4.648 1.00 15.00 C ATOM 0 H ALA B 144 10.381 12.007 5.038 1.00 15.00 H new ATOM 0 HA ALA B 144 10.538 13.684 2.821 1.00 15.00 H new ATOM 0 HB1 ALA B 144 9.455 15.339 4.308 1.00 15.00 H new ATOM 0 HB2 ALA B 144 8.723 13.725 4.472 1.00 15.00 H new ATOM 0 HB3 ALA B 144 9.849 14.322 5.714 1.00 15.00 H new ATOM 2074 N LEU B 145 12.694 14.426 5.198 1.00 15.00 N ATOM 2075 CA LEU B 145 13.897 15.193 5.487 1.00 15.00 C ATOM 2076 C LEU B 145 15.152 14.474 4.998 1.00 15.00 C ATOM 2077 O LEU B 145 16.153 15.117 4.664 1.00 15.00 O ATOM 2078 CB LEU B 145 14.008 15.477 6.986 1.00 15.00 C ATOM 2079 CG LEU B 145 13.136 16.625 7.507 1.00 15.00 C ATOM 2080 CD1 LEU B 145 13.134 17.788 6.528 1.00 15.00 C ATOM 2081 CD2 LEU B 145 11.717 16.149 7.773 1.00 15.00 C ATOM 0 H LEU B 145 12.413 13.786 5.941 1.00 15.00 H new ATOM 0 HA LEU B 145 13.818 16.138 4.950 1.00 15.00 H new ATOM 0 HB2 LEU B 145 13.746 14.570 7.530 1.00 15.00 H new ATOM 0 HB3 LEU B 145 15.049 15.700 7.220 1.00 15.00 H new ATOM 0 HG LEU B 145 13.562 16.971 8.449 1.00 15.00 H new ATOM 0 HD11 LEU B 145 12.509 18.591 6.918 1.00 15.00 H new ATOM 0 HD12 LEU B 145 14.152 18.153 6.395 1.00 15.00 H new ATOM 0 HD13 LEU B 145 12.739 17.455 5.568 1.00 15.00 H new ATOM 0 HD21 LEU B 145 11.117 16.981 8.142 1.00 15.00 H new ATOM 0 HD22 LEU B 145 11.281 15.769 6.849 1.00 15.00 H new ATOM 0 HD23 LEU B 145 11.734 15.355 8.519 1.00 15.00 H new ATOM 2093 N GLU B 146 15.096 13.146 4.953 1.00 15.00 N ATOM 2094 CA GLU B 146 16.230 12.343 4.502 1.00 15.00 C ATOM 2095 C GLU B 146 16.473 12.555 3.012 1.00 15.00 C ATOM 2096 O GLU B 146 17.585 12.875 2.600 1.00 15.00 O ATOM 2097 CB GLU B 146 15.985 10.859 4.799 1.00 15.00 C ATOM 2098 CG GLU B 146 17.163 9.958 4.472 1.00 15.00 C ATOM 2099 CD GLU B 146 17.044 8.589 5.111 1.00 15.00 C ATOM 2100 OE1 GLU B 146 16.250 7.758 4.615 1.00 15.00 O ATOM 2101 OE2 GLU B 146 17.747 8.333 6.111 1.00 15.00 O1- ATOM 0 H GLU B 146 14.277 12.602 5.224 1.00 15.00 H new ATOM 0 HA GLU B 146 17.119 12.663 5.046 1.00 15.00 H new ATOM 0 HB2 GLU B 146 15.738 10.747 5.855 1.00 15.00 H new ATOM 0 HB3 GLU B 146 15.117 10.524 4.231 1.00 15.00 H new ATOM 0 HG2 GLU B 146 17.240 9.845 3.391 1.00 15.00 H new ATOM 0 HG3 GLU B 146 18.084 10.434 4.809 1.00 15.00 H new ATOM 2108 N ASP B 147 15.420 12.402 2.214 1.00 15.00 N ATOM 2109 CA ASP B 147 15.509 12.581 0.767 1.00 15.00 C ATOM 2110 C ASP B 147 15.851 14.030 0.437 1.00 15.00 C ATOM 2111 O ASP B 147 16.521 14.317 -0.558 1.00 15.00 O ATOM 2112 CB ASP B 147 14.184 12.182 0.104 1.00 15.00 C ATOM 2113 CG ASP B 147 14.113 12.556 -1.364 1.00 15.00 C ATOM 2114 OD1 ASP B 147 14.613 11.779 -2.208 1.00 15.00 O ATOM 2115 OD2 ASP B 147 13.549 13.628 -1.681 1.00 15.00 O1- ATOM 0 H ASP B 147 14.489 12.153 2.548 1.00 15.00 H new ATOM 0 HA ASP B 147 16.301 11.939 0.380 1.00 15.00 H new ATOM 0 HB2 ASP B 147 14.044 11.106 0.205 1.00 15.00 H new ATOM 0 HB3 ASP B 147 13.361 12.661 0.634 1.00 15.00 H new ATOM 2120 N LYS B 148 15.398 14.936 1.292 1.00 15.00 N ATOM 2121 CA LYS B 148 15.649 16.358 1.114 1.00 15.00 C ATOM 2122 C LYS B 148 17.131 16.675 1.300 1.00 15.00 C ATOM 2123 O LYS B 148 17.739 17.345 0.469 1.00 15.00 O ATOM 2124 CB LYS B 148 14.809 17.168 2.101 1.00 15.00 C ATOM 2125 CG LYS B 148 14.937 18.673 1.926 1.00 15.00 C ATOM 2126 CD LYS B 148 14.069 19.426 2.919 1.00 15.00 C ATOM 2127 CE LYS B 148 14.138 20.928 2.693 1.00 15.00 C ATOM 2128 NZ LYS B 148 13.444 21.685 3.768 1.00 15.00 N1+ ATOM 0 H LYS B 148 14.851 14.708 2.122 1.00 15.00 H new ATOM 0 HA LYS B 148 15.365 16.632 0.098 1.00 15.00 H new ATOM 0 HB2 LYS B 148 13.762 16.886 1.989 1.00 15.00 H new ATOM 0 HB3 LYS B 148 15.103 16.903 3.117 1.00 15.00 H new ATOM 0 HG2 LYS B 148 15.978 18.968 2.055 1.00 15.00 H new ATOM 0 HG3 LYS B 148 14.652 18.948 0.911 1.00 15.00 H new ATOM 0 HD2 LYS B 148 13.036 19.091 2.828 1.00 15.00 H new ATOM 0 HD3 LYS B 148 14.391 19.195 3.934 1.00 15.00 H new ATOM 0 HE2 LYS B 148 15.181 21.240 2.645 1.00 15.00 H new ATOM 0 HE3 LYS B 148 13.688 21.171 1.730 1.00 15.00 H new ATOM 0 HZ1 LYS B 148 13.515 22.705 3.576 1.00 15.00 H new ATOM 0 HZ2 LYS B 148 12.442 21.407 3.797 1.00 15.00 H new ATOM 0 HZ3 LYS B 148 13.889 21.474 4.684 1.00 15.00 H new ATOM 2142 N LEU B 149 17.713 16.184 2.386 1.00 15.00 N ATOM 2143 CA LEU B 149 19.120 16.431 2.663 1.00 15.00 C ATOM 2144 C LEU B 149 20.002 15.597 1.738 1.00 15.00 C ATOM 2145 O LEU B 149 21.009 16.079 1.218 1.00 15.00 O ATOM 2146 CB LEU B 149 19.440 16.116 4.124 1.00 15.00 C ATOM 2147 CG LEU B 149 20.813 16.599 4.604 1.00 15.00 C ATOM 2148 CD1 LEU B 149 20.845 18.117 4.718 1.00 15.00 C ATOM 2149 CD2 LEU B 149 21.178 15.950 5.934 1.00 15.00 C ATOM 0 H LEU B 149 17.235 15.616 3.085 1.00 15.00 H new ATOM 0 HA LEU B 149 19.325 17.486 2.481 1.00 15.00 H new ATOM 0 HB2 LEU B 149 18.673 16.566 4.754 1.00 15.00 H new ATOM 0 HB3 LEU B 149 19.380 15.037 4.269 1.00 15.00 H new ATOM 0 HG LEU B 149 21.555 16.300 3.863 1.00 15.00 H new ATOM 0 HD11 LEU B 149 21.830 18.435 5.060 1.00 15.00 H new ATOM 0 HD12 LEU B 149 20.639 18.559 3.743 1.00 15.00 H new ATOM 0 HD13 LEU B 149 20.089 18.444 5.432 1.00 15.00 H new ATOM 0 HD21 LEU B 149 22.156 16.307 6.257 1.00 15.00 H new ATOM 0 HD22 LEU B 149 20.431 16.212 6.684 1.00 15.00 H new ATOM 0 HD23 LEU B 149 21.208 14.867 5.814 1.00 15.00 H new ATOM 2161 N ALA B 150 19.623 14.343 1.538 1.00 15.00 N ATOM 2162 CA ALA B 150 20.372 13.450 0.671 1.00 15.00 C ATOM 2163 C ALA B 150 19.793 13.461 -0.736 1.00 15.00 C ATOM 2164 O ALA B 150 18.936 12.644 -1.081 1.00 15.00 O ATOM 2165 CB ALA B 150 20.386 12.037 1.234 1.00 15.00 C ATOM 0 H ALA B 150 18.799 13.922 1.966 1.00 15.00 H new ATOM 0 HA ALA B 150 21.401 13.806 0.622 1.00 15.00 H new ATOM 0 HB1 ALA B 150 20.952 11.386 0.568 1.00 15.00 H new ATOM 0 HB2 ALA B 150 20.852 12.043 2.219 1.00 15.00 H new ATOM 0 HB3 ALA B 150 19.364 11.669 1.318 1.00 15.00 H new ATOM 2171 N ASP B 151 20.254 14.401 -1.544 1.00 15.00 N ATOM 2172 CA ASP B 151 19.792 14.521 -2.919 1.00 15.00 C ATOM 2173 C ASP B 151 20.411 13.418 -3.772 1.00 15.00 C ATOM 2174 O ASP B 151 19.934 13.116 -4.862 1.00 15.00 O ATOM 2175 CB ASP B 151 20.121 15.910 -3.488 1.00 15.00 C ATOM 2176 CG ASP B 151 21.607 16.222 -3.509 1.00 15.00 C ATOM 2177 OD1 ASP B 151 22.329 15.790 -2.587 1.00 15.00 O ATOM 2178 OD2 ASP B 151 22.054 16.933 -4.433 1.00 15.00 O1- ATOM 0 H ASP B 151 20.950 15.095 -1.271 1.00 15.00 H new ATOM 0 HA ASP B 151 18.708 14.407 -2.937 1.00 15.00 H new ATOM 0 HB2 ASP B 151 19.729 15.980 -4.503 1.00 15.00 H new ATOM 0 HB3 ASP B 151 19.608 16.667 -2.895 1.00 15.00 H new ATOM 2183 N TYR B 152 21.462 12.803 -3.245 1.00 15.00 N ATOM 2184 CA TYR B 152 22.142 11.713 -3.922 1.00 15.00 C ATOM 2185 C TYR B 152 22.252 10.520 -2.982 1.00 15.00 C ATOM 2186 O TYR B 152 21.398 9.617 -3.065 1.00 15.00 O ATOM 2187 CB TYR B 152 23.534 12.143 -4.397 1.00 15.00 C ATOM 2188 CG TYR B 152 23.519 13.048 -5.611 1.00 15.00 C ATOM 2189 CD1 TYR B 152 23.968 14.359 -5.526 1.00 15.00 C ATOM 2190 CD2 TYR B 152 23.056 12.592 -6.839 1.00 15.00 C ATOM 2191 CE1 TYR B 152 23.956 15.190 -6.628 1.00 15.00 C ATOM 2192 CE2 TYR B 152 23.042 13.418 -7.947 1.00 15.00 C ATOM 2193 CZ TYR B 152 23.494 14.716 -7.835 1.00 15.00 C ATOM 2194 OH TYR B 152 23.481 15.544 -8.935 1.00 15.00 O ATOM 2195 OXT TYR B 152 23.180 10.505 -2.145 1.00 15.00 O1- ATOM 0 H TYR B 152 21.864 13.047 -2.340 1.00 15.00 H new ATOM 0 HA TYR B 152 21.560 11.432 -4.800 1.00 15.00 H new ATOM 0 HB2 TYR B 152 24.043 12.656 -3.581 1.00 15.00 H new ATOM 0 HB3 TYR B 152 24.119 11.253 -4.628 1.00 15.00 H new ATOM 0 HD1 TYR B 152 24.333 14.735 -4.582 1.00 15.00 H new ATOM 0 HD2 TYR B 152 22.701 11.576 -6.929 1.00 15.00 H new ATOM 0 HE1 TYR B 152 24.308 16.208 -6.544 1.00 15.00 H new ATOM 0 HE2 TYR B 152 22.679 13.049 -8.895 1.00 15.00 H new ATOM 0 HH TYR B 152 23.127 15.056 -9.708 1.00 15.00 H new TER 2205 TYR B 152