USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 994 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 59 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.0309 K(o=0.78,f=-7.5!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -176:sc= 0.749 (180deg=0.523) USER MOD Set 3.1: A 45 MET CE :methyl 159:sc= -0.0838 (180deg=-0.493) USER MOD Set 3.2: A 90 TYR OH : rot 128:sc= 0.93 USER MOD Set 4.1: A 38 LYS NZ :NH3+ -173:sc= 0.0401 (180deg=0.141) USER MOD Set 4.2: A 119 HIS : no HD1:sc= -0.557 K(o=-0.52,f=0.27) USER MOD Set 5.1: A 9 GLN : amide:sc= 0.00952 X(o=0.02,f=0) USER MOD Set 5.2: A 22 THR OG1 : rot 180:sc= 0.0105 USER MOD Set 6.1: A 13 THR OG1 : rot -89:sc= 0.185 USER MOD Set 6.2: A 18 THR OG1 : rot 180:sc= 0.187 USER MOD Set 7.1: A 4 LYS NZ :NH3+ 150:sc= 0.982 (180deg=0) USER MOD Set 7.2: A 65 SER OG : rot 180:sc= 0.859 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0535 (180deg=-0.322) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -2.72! K(o=-2.7!,f=-1.8) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 165:sc=-0.00043 USER MOD Single : A 23 TYR OH : rot 165:sc= -0.621 USER MOD Single : A 24 GLN : amide:sc= -0.822 X(o=-0.82,f=-0.77) USER MOD Single : A 26 TYR OH : rot -109:sc= 0.94 USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= 0.483 (180deg=0.132) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= -0.0125 (180deg=-0.146) USER MOD Single : A 39 LYS NZ :NH3+ -111:sc= 1.16 (180deg=-0.106) USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -1.37 (180deg=-1.76!) USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= -0.467 (180deg=-2.24!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0.448 (180deg=0.448) USER MOD Single : A 64 HIS : no HD1:sc= 0.132 K(o=0.14,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0196) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc=-0.00724 (180deg=-0.0795) USER MOD Single : A 76 LYS NZ :NH3+ -105:sc= 1.26 (180deg=-0.261) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.412 K(o=-0.41,f=-6.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 140:sc= 0.174 USER MOD Single : A 107 GLN : amide:sc= -0.492 K(o=-0.49,f=-3.2!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc=-0.00342 X(o=-0.0034,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HE2:sc= 0.486 K(o=0.49,f=-2.2!) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.337 -9.006 -0.543 1.00 0.45 N ATOM 2 CA MET A 1 22.113 -8.191 -0.364 1.00 74.35 C ATOM 3 C MET A 1 21.402 -8.042 -1.723 1.00 20.10 C ATOM 4 O MET A 1 21.457 -6.988 -2.370 1.00 10.01 O ATOM 5 CB MET A 1 22.478 -6.814 0.271 1.00 73.23 C ATOM 6 CG MET A 1 21.285 -5.906 0.625 1.00 53.41 C ATOM 7 SD MET A 1 20.194 -6.609 1.885 1.00 21.21 S ATOM 8 CE MET A 1 21.286 -6.732 3.307 1.00 52.12 C ATOM 0 H1 MET A 1 23.822 -9.110 0.371 1.00 0.45 H new ATOM 0 H2 MET A 1 23.078 -9.945 -0.907 1.00 0.45 H new ATOM 0 H3 MET A 1 23.972 -8.535 -1.219 1.00 0.45 H new ATOM 0 HA MET A 1 21.424 -8.685 0.321 1.00 74.35 H new ATOM 0 HB2 MET A 1 23.056 -6.994 1.178 1.00 73.23 H new ATOM 0 HB3 MET A 1 23.128 -6.277 -0.420 1.00 73.23 H new ATOM 0 HG2 MET A 1 21.661 -4.945 0.976 1.00 53.41 H new ATOM 0 HG3 MET A 1 20.706 -5.711 -0.278 1.00 53.41 H new ATOM 0 HE1 MET A 1 20.694 -6.892 4.208 1.00 52.12 H new ATOM 0 HE2 MET A 1 21.970 -7.569 3.169 1.00 52.12 H new ATOM 0 HE3 MET A 1 21.858 -5.809 3.408 1.00 52.12 H new ATOM 20 N SER A 2 20.765 -9.134 -2.169 1.00 2.33 N ATOM 21 CA SER A 2 20.081 -9.203 -3.473 1.00 13.12 C ATOM 22 C SER A 2 18.644 -8.643 -3.375 1.00 53.24 C ATOM 23 O SER A 2 17.672 -9.312 -3.741 1.00 34.23 O ATOM 24 CB SER A 2 20.083 -10.668 -3.975 1.00 31.03 C ATOM 25 OG SER A 2 21.403 -11.185 -4.081 1.00 72.31 O ATOM 0 H SER A 2 20.708 -10.000 -1.634 1.00 2.33 H new ATOM 0 HA SER A 2 20.617 -8.584 -4.193 1.00 13.12 H new ATOM 0 HB2 SER A 2 19.503 -11.288 -3.291 1.00 31.03 H new ATOM 0 HB3 SER A 2 19.592 -10.720 -4.947 1.00 31.03 H new ATOM 0 HG SER A 2 21.367 -12.111 -4.399 1.00 72.31 H new ATOM 31 N GLY A 3 18.527 -7.394 -2.882 1.00 43.50 N ATOM 32 CA GLY A 3 17.240 -6.704 -2.778 1.00 24.41 C ATOM 33 C GLY A 3 16.921 -6.217 -1.368 1.00 74.05 C ATOM 34 O GLY A 3 17.823 -5.803 -0.631 1.00 15.14 O ATOM 0 H GLY A 3 19.319 -6.845 -2.549 1.00 43.50 H new ATOM 0 HA2 GLY A 3 17.238 -5.851 -3.457 1.00 24.41 H new ATOM 0 HA3 GLY A 3 16.449 -7.377 -3.109 1.00 24.41 H new ATOM 38 N LYS A 4 15.624 -6.279 -1.002 1.00 51.13 N ATOM 39 CA LYS A 4 15.094 -5.705 0.241 1.00 60.01 C ATOM 40 C LYS A 4 13.818 -6.457 0.677 1.00 55.10 C ATOM 41 O LYS A 4 12.920 -6.688 -0.141 1.00 31.03 O ATOM 42 CB LYS A 4 14.783 -4.185 0.022 1.00 72.12 C ATOM 43 CG LYS A 4 14.179 -3.405 1.231 1.00 44.00 C ATOM 44 CD LYS A 4 15.211 -2.950 2.304 1.00 12.14 C ATOM 45 CE LYS A 4 15.770 -4.088 3.173 1.00 23.24 C ATOM 46 NZ LYS A 4 16.740 -3.594 4.193 1.00 42.50 N ATOM 0 H LYS A 4 14.911 -6.735 -1.571 1.00 51.13 H new ATOM 0 HA LYS A 4 15.838 -5.808 1.030 1.00 60.01 H new ATOM 0 HB2 LYS A 4 15.708 -3.689 -0.273 1.00 72.12 H new ATOM 0 HB3 LYS A 4 14.092 -4.098 -0.817 1.00 72.12 H new ATOM 0 HG2 LYS A 4 13.659 -2.525 0.853 1.00 44.00 H new ATOM 0 HG3 LYS A 4 13.431 -4.035 1.713 1.00 44.00 H new ATOM 0 HD2 LYS A 4 16.041 -2.451 1.803 1.00 12.14 H new ATOM 0 HD3 LYS A 4 14.740 -2.212 2.953 1.00 12.14 H new ATOM 0 HE2 LYS A 4 14.947 -4.598 3.674 1.00 23.24 H new ATOM 0 HE3 LYS A 4 16.260 -4.823 2.535 1.00 23.24 H new ATOM 0 HZ1 LYS A 4 16.707 -4.210 5.030 1.00 42.50 H new ATOM 0 HZ2 LYS A 4 17.700 -3.605 3.793 1.00 42.50 H new ATOM 0 HZ3 LYS A 4 16.490 -2.622 4.468 1.00 42.50 H new ATOM 60 N LYS A 5 13.761 -6.861 1.959 1.00 72.11 N ATOM 61 CA LYS A 5 12.530 -7.371 2.590 1.00 12.11 C ATOM 62 C LYS A 5 11.874 -6.221 3.378 1.00 53.44 C ATOM 63 O LYS A 5 12.575 -5.432 4.024 1.00 41.14 O ATOM 64 CB LYS A 5 12.828 -8.556 3.551 1.00 53.32 C ATOM 65 CG LYS A 5 11.557 -9.235 4.137 1.00 4.41 C ATOM 66 CD LYS A 5 11.847 -10.142 5.362 1.00 54.32 C ATOM 67 CE LYS A 5 12.355 -9.350 6.583 1.00 0.50 C ATOM 68 NZ LYS A 5 12.411 -10.175 7.823 1.00 42.41 N ATOM 0 H LYS A 5 14.566 -6.843 2.586 1.00 72.11 H new ATOM 0 HA LYS A 5 11.862 -7.738 1.810 1.00 12.11 H new ATOM 0 HB2 LYS A 5 13.413 -9.305 3.017 1.00 53.32 H new ATOM 0 HB3 LYS A 5 13.446 -8.196 4.373 1.00 53.32 H new ATOM 0 HG2 LYS A 5 10.844 -8.463 4.427 1.00 4.41 H new ATOM 0 HG3 LYS A 5 11.082 -9.831 3.358 1.00 4.41 H new ATOM 0 HD2 LYS A 5 10.938 -10.678 5.635 1.00 54.32 H new ATOM 0 HD3 LYS A 5 12.589 -10.891 5.086 1.00 54.32 H new ATOM 0 HE2 LYS A 5 13.349 -8.957 6.368 1.00 0.50 H new ATOM 0 HE3 LYS A 5 11.703 -8.493 6.751 1.00 0.50 H new ATOM 0 HZ1 LYS A 5 12.759 -9.593 8.612 1.00 42.41 H new ATOM 0 HZ2 LYS A 5 11.459 -10.529 8.048 1.00 42.41 H new ATOM 0 HZ3 LYS A 5 13.054 -10.979 7.676 1.00 42.41 H new ATOM 82 N VAL A 6 10.544 -6.137 3.313 1.00 24.15 N ATOM 83 CA VAL A 6 9.756 -5.128 4.040 1.00 75.45 C ATOM 84 C VAL A 6 8.437 -5.747 4.530 1.00 45.11 C ATOM 85 O VAL A 6 7.883 -6.623 3.866 1.00 1.44 O ATOM 86 CB VAL A 6 9.480 -3.862 3.138 1.00 33.51 C ATOM 87 CG1 VAL A 6 8.814 -4.229 1.796 1.00 73.15 C ATOM 88 CG2 VAL A 6 8.656 -2.812 3.894 1.00 33.33 C ATOM 0 H VAL A 6 9.975 -6.770 2.751 1.00 24.15 H new ATOM 0 HA VAL A 6 10.332 -4.797 4.904 1.00 75.45 H new ATOM 0 HB VAL A 6 10.451 -3.428 2.901 1.00 33.51 H new ATOM 0 HG11 VAL A 6 8.646 -3.323 1.214 1.00 73.15 H new ATOM 0 HG12 VAL A 6 9.465 -4.903 1.239 1.00 73.15 H new ATOM 0 HG13 VAL A 6 7.860 -4.721 1.986 1.00 73.15 H new ATOM 0 HG21 VAL A 6 8.482 -1.952 3.248 1.00 33.33 H new ATOM 0 HG22 VAL A 6 7.700 -3.244 4.189 1.00 33.33 H new ATOM 0 HG23 VAL A 6 9.200 -2.493 4.783 1.00 33.33 H new ATOM 98 N GLU A 7 7.938 -5.300 5.698 1.00 54.10 N ATOM 99 CA GLU A 7 6.628 -5.729 6.210 1.00 64.35 C ATOM 100 C GLU A 7 5.646 -4.562 6.032 1.00 70.22 C ATOM 101 O GLU A 7 5.842 -3.473 6.578 1.00 21.43 O ATOM 102 CB GLU A 7 6.671 -6.194 7.694 1.00 52.24 C ATOM 103 CG GLU A 7 7.653 -7.348 8.004 1.00 52.10 C ATOM 104 CD GLU A 7 9.130 -6.915 8.085 1.00 15.43 C ATOM 105 OE1 GLU A 7 9.520 -6.299 9.100 1.00 62.02 O ATOM 106 OE2 GLU A 7 9.906 -7.182 7.140 1.00 31.31 O ATOM 0 H GLU A 7 8.426 -4.640 6.304 1.00 54.10 H new ATOM 0 HA GLU A 7 6.305 -6.602 5.642 1.00 64.35 H new ATOM 0 HB2 GLU A 7 6.935 -5.339 8.317 1.00 52.24 H new ATOM 0 HB3 GLU A 7 5.668 -6.505 7.988 1.00 52.24 H new ATOM 0 HG2 GLU A 7 7.368 -7.808 8.950 1.00 52.10 H new ATOM 0 HG3 GLU A 7 7.552 -8.113 7.234 1.00 52.10 H new ATOM 113 N VAL A 8 4.615 -4.804 5.228 1.00 51.11 N ATOM 114 CA VAL A 8 3.595 -3.812 4.869 1.00 74.13 C ATOM 115 C VAL A 8 2.307 -4.120 5.654 1.00 43.20 C ATOM 116 O VAL A 8 1.856 -5.256 5.654 1.00 14.11 O ATOM 117 CB VAL A 8 3.330 -3.860 3.313 1.00 13.52 C ATOM 118 CG1 VAL A 8 2.191 -2.908 2.886 1.00 70.42 C ATOM 119 CG2 VAL A 8 4.631 -3.547 2.533 1.00 31.22 C ATOM 0 H VAL A 8 4.458 -5.714 4.796 1.00 51.11 H new ATOM 0 HA VAL A 8 3.937 -2.809 5.124 1.00 74.13 H new ATOM 0 HB VAL A 8 3.008 -4.872 3.068 1.00 13.52 H new ATOM 0 HG11 VAL A 8 2.045 -2.976 1.808 1.00 70.42 H new ATOM 0 HG12 VAL A 8 1.270 -3.191 3.395 1.00 70.42 H new ATOM 0 HG13 VAL A 8 2.453 -1.884 3.153 1.00 70.42 H new ATOM 0 HG21 VAL A 8 4.431 -3.584 1.462 1.00 31.22 H new ATOM 0 HG22 VAL A 8 4.986 -2.552 2.802 1.00 31.22 H new ATOM 0 HG23 VAL A 8 5.393 -4.284 2.786 1.00 31.22 H new ATOM 129 N GLN A 9 1.746 -3.120 6.357 1.00 20.22 N ATOM 130 CA GLN A 9 0.467 -3.281 7.077 1.00 33.43 C ATOM 131 C GLN A 9 -0.610 -2.444 6.383 1.00 44.22 C ATOM 132 O GLN A 9 -0.655 -1.231 6.556 1.00 2.50 O ATOM 133 CB GLN A 9 0.605 -2.865 8.570 1.00 52.45 C ATOM 134 CG GLN A 9 1.655 -3.666 9.364 1.00 10.11 C ATOM 135 CD GLN A 9 1.593 -3.387 10.867 1.00 10.13 C ATOM 136 OE1 GLN A 9 2.228 -2.460 11.369 1.00 21.32 O ATOM 137 NE2 GLN A 9 0.838 -4.195 11.599 1.00 3.12 N ATOM 0 H GLN A 9 2.158 -2.191 6.443 1.00 20.22 H new ATOM 0 HA GLN A 9 0.181 -4.333 7.056 1.00 33.43 H new ATOM 0 HB2 GLN A 9 0.863 -1.807 8.617 1.00 52.45 H new ATOM 0 HB3 GLN A 9 -0.364 -2.979 9.056 1.00 52.45 H new ATOM 0 HG2 GLN A 9 1.503 -4.731 9.189 1.00 10.11 H new ATOM 0 HG3 GLN A 9 2.650 -3.421 8.993 1.00 10.11 H new ATOM 0 HE21 GLN A 9 0.323 -4.955 11.154 1.00 3.12 H new ATOM 0 HE22 GLN A 9 0.772 -4.057 12.607 1.00 3.12 H new ATOM 146 N VAL A 10 -1.469 -3.104 5.593 1.00 31.33 N ATOM 147 CA VAL A 10 -2.553 -2.439 4.850 1.00 22.53 C ATOM 148 C VAL A 10 -3.830 -2.497 5.698 1.00 3.13 C ATOM 149 O VAL A 10 -4.364 -3.580 5.937 1.00 60.32 O ATOM 150 CB VAL A 10 -2.789 -3.126 3.447 1.00 51.25 C ATOM 151 CG1 VAL A 10 -4.001 -2.524 2.696 1.00 20.13 C ATOM 152 CG2 VAL A 10 -1.508 -3.052 2.585 1.00 4.15 C ATOM 0 H VAL A 10 -1.433 -4.113 5.450 1.00 31.33 H new ATOM 0 HA VAL A 10 -2.277 -1.402 4.660 1.00 22.53 H new ATOM 0 HB VAL A 10 -3.023 -4.174 3.633 1.00 51.25 H new ATOM 0 HG11 VAL A 10 -4.122 -3.029 1.738 1.00 20.13 H new ATOM 0 HG12 VAL A 10 -4.903 -2.658 3.294 1.00 20.13 H new ATOM 0 HG13 VAL A 10 -3.833 -1.460 2.527 1.00 20.13 H new ATOM 0 HG21 VAL A 10 -1.689 -3.530 1.622 1.00 4.15 H new ATOM 0 HG22 VAL A 10 -1.236 -2.008 2.426 1.00 4.15 H new ATOM 0 HG23 VAL A 10 -0.694 -3.565 3.098 1.00 4.15 H new ATOM 162 N LYS A 11 -4.286 -1.327 6.182 1.00 22.52 N ATOM 163 CA LYS A 11 -5.499 -1.216 7.001 1.00 12.21 C ATOM 164 C LYS A 11 -6.611 -0.589 6.142 1.00 0.31 C ATOM 165 O LYS A 11 -6.580 0.607 5.891 1.00 30.33 O ATOM 166 CB LYS A 11 -5.199 -0.326 8.247 1.00 65.14 C ATOM 167 CG LYS A 11 -6.401 -0.126 9.197 1.00 55.44 C ATOM 168 CD LYS A 11 -6.179 0.974 10.264 1.00 11.43 C ATOM 169 CE LYS A 11 -5.077 0.645 11.286 1.00 40.13 C ATOM 170 NZ LYS A 11 -4.964 1.707 12.336 1.00 10.20 N ATOM 0 H LYS A 11 -3.821 -0.435 6.014 1.00 22.52 H new ATOM 0 HA LYS A 11 -5.821 -2.198 7.347 1.00 12.21 H new ATOM 0 HB2 LYS A 11 -4.379 -0.774 8.809 1.00 65.14 H new ATOM 0 HB3 LYS A 11 -4.856 0.651 7.906 1.00 65.14 H new ATOM 0 HG2 LYS A 11 -7.281 0.127 8.606 1.00 55.44 H new ATOM 0 HG3 LYS A 11 -6.615 -1.069 9.700 1.00 55.44 H new ATOM 0 HD2 LYS A 11 -5.926 1.907 9.761 1.00 11.43 H new ATOM 0 HD3 LYS A 11 -7.115 1.143 10.797 1.00 11.43 H new ATOM 0 HE2 LYS A 11 -5.293 -0.313 11.759 1.00 40.13 H new ATOM 0 HE3 LYS A 11 -4.122 0.539 10.771 1.00 40.13 H new ATOM 0 HZ1 LYS A 11 -4.212 1.452 13.008 1.00 10.20 H new ATOM 0 HZ2 LYS A 11 -4.734 2.616 11.887 1.00 10.20 H new ATOM 0 HZ3 LYS A 11 -5.868 1.791 12.844 1.00 10.20 H new ATOM 184 N ILE A 12 -7.576 -1.397 5.679 1.00 60.23 N ATOM 185 CA ILE A 12 -8.688 -0.923 4.818 1.00 72.24 C ATOM 186 C ILE A 12 -10.036 -1.111 5.552 1.00 10.24 C ATOM 187 O ILE A 12 -10.431 -2.228 5.893 1.00 52.34 O ATOM 188 CB ILE A 12 -8.674 -1.645 3.407 1.00 2.20 C ATOM 189 CG1 ILE A 12 -9.853 -1.158 2.505 1.00 71.00 C ATOM 190 CG2 ILE A 12 -8.668 -3.185 3.535 1.00 34.55 C ATOM 191 CD1 ILE A 12 -9.807 -1.673 1.069 1.00 4.22 C ATOM 0 H ILE A 12 -7.615 -2.395 5.886 1.00 60.23 H new ATOM 0 HA ILE A 12 -8.553 0.141 4.623 1.00 72.24 H new ATOM 0 HB ILE A 12 -7.740 -1.363 2.921 1.00 2.20 H new ATOM 0 HG12 ILE A 12 -10.794 -1.470 2.959 1.00 71.00 H new ATOM 0 HG13 ILE A 12 -9.853 -0.068 2.487 1.00 71.00 H new ATOM 0 HG21 ILE A 12 -8.658 -3.633 2.541 1.00 34.55 H new ATOM 0 HG22 ILE A 12 -7.781 -3.501 4.084 1.00 34.55 H new ATOM 0 HG23 ILE A 12 -9.560 -3.509 4.070 1.00 34.55 H new ATOM 0 HD11 ILE A 12 -10.663 -1.285 0.516 1.00 4.22 H new ATOM 0 HD12 ILE A 12 -8.885 -1.339 0.592 1.00 4.22 H new ATOM 0 HD13 ILE A 12 -9.840 -2.762 1.072 1.00 4.22 H new ATOM 203 N THR A 13 -10.716 0.011 5.822 1.00 14.14 N ATOM 204 CA THR A 13 -11.963 0.033 6.597 1.00 1.43 C ATOM 205 C THR A 13 -13.187 0.246 5.677 1.00 2.11 C ATOM 206 O THR A 13 -13.154 1.092 4.768 1.00 4.43 O ATOM 207 CB THR A 13 -11.890 1.164 7.676 1.00 41.21 C ATOM 208 OG1 THR A 13 -10.713 0.979 8.494 1.00 73.23 O ATOM 209 CG2 THR A 13 -13.140 1.206 8.571 1.00 63.02 C ATOM 0 H THR A 13 -10.415 0.933 5.507 1.00 14.14 H new ATOM 0 HA THR A 13 -12.082 -0.931 7.091 1.00 1.43 H new ATOM 0 HB THR A 13 -11.838 2.115 7.146 1.00 41.21 H new ATOM 0 HG1 THR A 13 -10.929 0.395 9.251 1.00 73.23 H new ATOM 0 HG21 THR A 13 -13.037 2.008 9.302 1.00 63.02 H new ATOM 0 HG22 THR A 13 -14.022 1.386 7.956 1.00 63.02 H new ATOM 0 HG23 THR A 13 -13.248 0.254 9.090 1.00 63.02 H new ATOM 217 N CYS A 14 -14.251 -0.546 5.928 1.00 44.44 N ATOM 218 CA CYS A 14 -15.550 -0.423 5.251 1.00 43.40 C ATOM 219 C CYS A 14 -16.659 -1.168 6.024 1.00 11.00 C ATOM 220 O CYS A 14 -16.424 -2.253 6.575 1.00 22.02 O ATOM 221 CB CYS A 14 -15.482 -0.953 3.805 1.00 31.20 C ATOM 222 SG CYS A 14 -17.097 -0.946 2.969 1.00 75.35 S ATOM 0 H CYS A 14 -14.227 -1.298 6.617 1.00 44.44 H new ATOM 0 HA CYS A 14 -15.794 0.639 5.224 1.00 43.40 H new ATOM 0 HB2 CYS A 14 -14.781 -0.345 3.234 1.00 31.20 H new ATOM 0 HB3 CYS A 14 -15.088 -1.969 3.815 1.00 31.20 H new ATOM 227 N ASN A 15 -17.867 -0.545 6.058 1.00 13.51 N ATOM 228 CA ASN A 15 -19.122 -1.136 6.587 1.00 64.51 C ATOM 229 C ASN A 15 -19.020 -1.515 8.075 1.00 2.43 C ATOM 230 O ASN A 15 -19.662 -2.467 8.538 1.00 32.02 O ATOM 231 CB ASN A 15 -19.569 -2.341 5.698 1.00 61.14 C ATOM 232 CG ASN A 15 -19.977 -1.937 4.274 1.00 14.04 C ATOM 233 OD1 ASN A 15 -20.498 -0.843 4.043 1.00 32.00 O ATOM 234 ND2 ASN A 15 -19.747 -2.814 3.313 1.00 62.03 N ATOM 0 H ASN A 15 -17.996 0.405 5.710 1.00 13.51 H new ATOM 0 HA ASN A 15 -19.896 -0.370 6.535 1.00 64.51 H new ATOM 0 HB2 ASN A 15 -18.754 -3.063 5.642 1.00 61.14 H new ATOM 0 HB3 ASN A 15 -20.408 -2.844 6.178 1.00 61.14 H new ATOM 0 HD21 ASN A 15 -20.002 -2.594 2.350 1.00 62.03 H new ATOM 0 HD22 ASN A 15 -19.315 -3.711 3.534 1.00 62.03 H new ATOM 241 N GLY A 16 -18.223 -0.736 8.828 1.00 34.52 N ATOM 242 CA GLY A 16 -18.073 -0.932 10.273 1.00 12.41 C ATOM 243 C GLY A 16 -16.979 -1.919 10.649 1.00 31.45 C ATOM 244 O GLY A 16 -16.732 -2.140 11.837 1.00 12.54 O ATOM 0 H GLY A 16 -17.673 0.037 8.454 1.00 34.52 H new ATOM 0 HA2 GLY A 16 -17.858 0.029 10.740 1.00 12.41 H new ATOM 0 HA3 GLY A 16 -19.021 -1.281 10.683 1.00 12.41 H new ATOM 248 N LYS A 17 -16.318 -2.517 9.643 1.00 52.22 N ATOM 249 CA LYS A 17 -15.218 -3.479 9.856 1.00 21.44 C ATOM 250 C LYS A 17 -13.903 -2.915 9.311 1.00 61.25 C ATOM 251 O LYS A 17 -13.893 -2.180 8.326 1.00 52.02 O ATOM 252 CB LYS A 17 -15.532 -4.857 9.190 1.00 24.04 C ATOM 253 CG LYS A 17 -16.431 -5.797 10.021 1.00 3.44 C ATOM 254 CD LYS A 17 -15.801 -6.176 11.384 1.00 62.20 C ATOM 255 CE LYS A 17 -14.421 -6.849 11.253 1.00 15.15 C ATOM 256 NZ LYS A 17 -13.809 -7.105 12.585 1.00 43.13 N ATOM 0 H LYS A 17 -16.529 -2.349 8.659 1.00 52.22 H new ATOM 0 HA LYS A 17 -15.117 -3.639 10.930 1.00 21.44 H new ATOM 0 HB2 LYS A 17 -16.012 -4.677 8.228 1.00 24.04 H new ATOM 0 HB3 LYS A 17 -14.591 -5.367 8.986 1.00 24.04 H new ATOM 0 HG2 LYS A 17 -17.394 -5.315 10.192 1.00 3.44 H new ATOM 0 HG3 LYS A 17 -16.626 -6.705 9.450 1.00 3.44 H new ATOM 0 HD2 LYS A 17 -15.703 -5.277 11.993 1.00 62.20 H new ATOM 0 HD3 LYS A 17 -16.476 -6.848 11.914 1.00 62.20 H new ATOM 0 HE2 LYS A 17 -14.524 -7.790 10.712 1.00 15.15 H new ATOM 0 HE3 LYS A 17 -13.760 -6.213 10.664 1.00 15.15 H new ATOM 0 HZ1 LYS A 17 -12.882 -7.558 12.460 1.00 43.13 H new ATOM 0 HZ2 LYS A 17 -13.688 -6.204 13.091 1.00 43.13 H new ATOM 0 HZ3 LYS A 17 -14.429 -7.732 13.137 1.00 43.13 H new ATOM 270 N THR A 18 -12.803 -3.284 9.974 1.00 54.13 N ATOM 271 CA THR A 18 -11.442 -2.932 9.566 1.00 14.01 C ATOM 272 C THR A 18 -10.684 -4.219 9.217 1.00 14.12 C ATOM 273 O THR A 18 -10.704 -5.190 9.981 1.00 11.11 O ATOM 274 CB THR A 18 -10.708 -2.157 10.707 1.00 42.12 C ATOM 275 OG1 THR A 18 -11.362 -0.894 10.933 1.00 42.12 O ATOM 276 CG2 THR A 18 -9.218 -1.912 10.393 1.00 24.14 C ATOM 0 H THR A 18 -12.835 -3.846 10.825 1.00 54.13 H new ATOM 0 HA THR A 18 -11.480 -2.280 8.693 1.00 14.01 H new ATOM 0 HB THR A 18 -10.757 -2.778 11.601 1.00 42.12 H new ATOM 0 HG1 THR A 18 -10.901 -0.411 11.650 1.00 42.12 H new ATOM 0 HG21 THR A 18 -8.757 -1.370 11.219 1.00 24.14 H new ATOM 0 HG22 THR A 18 -8.712 -2.868 10.259 1.00 24.14 H new ATOM 0 HG23 THR A 18 -9.131 -1.324 9.479 1.00 24.14 H new ATOM 284 N TYR A 19 -10.039 -4.217 8.046 1.00 14.03 N ATOM 285 CA TYR A 19 -9.270 -5.358 7.538 1.00 21.04 C ATOM 286 C TYR A 19 -7.796 -4.954 7.467 1.00 5.20 C ATOM 287 O TYR A 19 -7.382 -4.249 6.545 1.00 13.13 O ATOM 288 CB TYR A 19 -9.821 -5.761 6.143 1.00 53.44 C ATOM 289 CG TYR A 19 -11.321 -6.098 6.165 1.00 33.32 C ATOM 290 CD1 TYR A 19 -11.766 -7.391 6.431 1.00 2.34 C ATOM 291 CD2 TYR A 19 -12.290 -5.103 5.966 1.00 61.32 C ATOM 292 CE1 TYR A 19 -13.117 -7.682 6.492 1.00 5.33 C ATOM 293 CE2 TYR A 19 -13.636 -5.393 6.019 1.00 43.12 C ATOM 294 CZ TYR A 19 -14.047 -6.682 6.284 1.00 43.52 C ATOM 295 OH TYR A 19 -15.396 -6.966 6.359 1.00 43.35 O ATOM 0 H TYR A 19 -10.036 -3.414 7.417 1.00 14.03 H new ATOM 0 HA TYR A 19 -9.363 -6.221 8.198 1.00 21.04 H new ATOM 0 HB2 TYR A 19 -9.647 -4.946 5.440 1.00 53.44 H new ATOM 0 HB3 TYR A 19 -9.266 -6.623 5.774 1.00 53.44 H new ATOM 0 HD1 TYR A 19 -11.045 -8.179 6.592 1.00 2.34 H new ATOM 0 HD2 TYR A 19 -11.975 -4.089 5.767 1.00 61.32 H new ATOM 0 HE1 TYR A 19 -13.444 -8.690 6.702 1.00 5.33 H new ATOM 0 HE2 TYR A 19 -14.366 -4.614 5.854 1.00 43.12 H new ATOM 0 HH TYR A 19 -15.903 -6.130 6.428 1.00 43.35 H new ATOM 305 N GLU A 20 -7.020 -5.380 8.470 1.00 2.14 N ATOM 306 CA GLU A 20 -5.592 -5.045 8.579 1.00 43.12 C ATOM 307 C GLU A 20 -4.761 -6.319 8.767 1.00 60.20 C ATOM 308 O GLU A 20 -5.194 -7.261 9.443 1.00 0.51 O ATOM 309 CB GLU A 20 -5.377 -3.981 9.700 1.00 74.43 C ATOM 310 CG GLU A 20 -5.969 -4.287 11.104 1.00 22.53 C ATOM 311 CD GLU A 20 -5.088 -5.194 11.989 1.00 24.14 C ATOM 312 OE1 GLU A 20 -3.996 -4.745 12.411 1.00 44.23 O ATOM 313 OE2 GLU A 20 -5.486 -6.338 12.291 1.00 61.30 O ATOM 0 H GLU A 20 -7.363 -5.967 9.230 1.00 2.14 H new ATOM 0 HA GLU A 20 -5.241 -4.590 7.653 1.00 43.12 H new ATOM 0 HB2 GLU A 20 -4.304 -3.825 9.814 1.00 74.43 H new ATOM 0 HB3 GLU A 20 -5.801 -3.038 9.354 1.00 74.43 H new ATOM 0 HG2 GLU A 20 -6.137 -3.345 11.626 1.00 22.53 H new ATOM 0 HG3 GLU A 20 -6.943 -4.760 10.978 1.00 22.53 H new ATOM 320 N ARG A 21 -3.575 -6.345 8.133 1.00 73.34 N ATOM 321 CA ARG A 21 -2.714 -7.540 8.084 1.00 44.24 C ATOM 322 C ARG A 21 -1.260 -7.129 7.760 1.00 53.20 C ATOM 323 O ARG A 21 -1.032 -6.172 7.021 1.00 54.40 O ATOM 324 CB ARG A 21 -3.276 -8.552 7.033 1.00 52.34 C ATOM 325 CG ARG A 21 -2.400 -9.801 6.772 1.00 35.40 C ATOM 326 CD ARG A 21 -2.165 -10.648 8.024 1.00 40.33 C ATOM 327 NE ARG A 21 -1.216 -11.739 7.777 1.00 73.41 N ATOM 328 CZ ARG A 21 -0.953 -12.740 8.631 1.00 11.43 C ATOM 329 NH1 ARG A 21 -1.558 -12.819 9.808 1.00 10.52 N ATOM 330 NH2 ARG A 21 -0.069 -13.664 8.298 1.00 70.12 N ATOM 0 H ARG A 21 -3.187 -5.540 7.641 1.00 73.34 H new ATOM 0 HA ARG A 21 -2.711 -8.032 9.056 1.00 44.24 H new ATOM 0 HB2 ARG A 21 -4.260 -8.883 7.364 1.00 52.34 H new ATOM 0 HB3 ARG A 21 -3.418 -8.026 6.089 1.00 52.34 H new ATOM 0 HG2 ARG A 21 -2.876 -10.417 6.009 1.00 35.40 H new ATOM 0 HG3 ARG A 21 -1.438 -9.484 6.371 1.00 35.40 H new ATOM 0 HD2 ARG A 21 -1.788 -10.013 8.826 1.00 40.33 H new ATOM 0 HD3 ARG A 21 -3.114 -11.062 8.365 1.00 40.33 H new ATOM 0 HE ARG A 21 -0.717 -11.736 6.887 1.00 73.41 H new ATOM 0 HH11 ARG A 21 -2.239 -12.110 10.080 1.00 10.52 H new ATOM 0 HH12 ARG A 21 -1.343 -13.589 10.441 1.00 10.52 H new ATOM 0 HH21 ARG A 21 0.408 -13.613 7.398 1.00 70.12 H new ATOM 0 HH22 ARG A 21 0.137 -14.428 8.941 1.00 70.12 H new ATOM 344 N THR A 22 -0.291 -7.860 8.351 1.00 51.31 N ATOM 345 CA THR A 22 1.148 -7.654 8.138 1.00 2.53 C ATOM 346 C THR A 22 1.673 -8.672 7.091 1.00 54.14 C ATOM 347 O THR A 22 1.737 -9.875 7.362 1.00 44.33 O ATOM 348 CB THR A 22 1.908 -7.814 9.494 1.00 54.12 C ATOM 349 OG1 THR A 22 1.264 -7.000 10.490 1.00 63.24 O ATOM 350 CG2 THR A 22 3.396 -7.416 9.388 1.00 14.22 C ATOM 0 H THR A 22 -0.495 -8.621 8.999 1.00 51.31 H new ATOM 0 HA THR A 22 1.321 -6.647 7.759 1.00 2.53 H new ATOM 0 HB THR A 22 1.874 -8.868 9.772 1.00 54.12 H new ATOM 0 HG1 THR A 22 1.734 -7.096 11.345 1.00 63.24 H new ATOM 0 HG21 THR A 22 3.877 -7.546 10.357 1.00 14.22 H new ATOM 0 HG22 THR A 22 3.890 -8.048 8.650 1.00 14.22 H new ATOM 0 HG23 THR A 22 3.473 -6.373 9.082 1.00 14.22 H new ATOM 358 N TYR A 23 2.006 -8.165 5.889 1.00 33.13 N ATOM 359 CA TYR A 23 2.507 -8.965 4.751 1.00 74.12 C ATOM 360 C TYR A 23 4.028 -8.810 4.675 1.00 24.41 C ATOM 361 O TYR A 23 4.533 -7.701 4.825 1.00 23.51 O ATOM 362 CB TYR A 23 1.877 -8.468 3.409 1.00 53.54 C ATOM 363 CG TYR A 23 0.395 -8.103 3.514 1.00 24.54 C ATOM 364 CD1 TYR A 23 -0.608 -9.059 3.367 1.00 62.15 C ATOM 365 CD2 TYR A 23 0.009 -6.793 3.792 1.00 22.53 C ATOM 366 CE1 TYR A 23 -1.940 -8.711 3.490 1.00 20.41 C ATOM 367 CE2 TYR A 23 -1.308 -6.449 3.920 1.00 52.53 C ATOM 368 CZ TYR A 23 -2.281 -7.400 3.768 1.00 51.44 C ATOM 369 OH TYR A 23 -3.600 -7.038 3.909 1.00 61.42 O ATOM 0 H TYR A 23 1.934 -7.170 5.676 1.00 33.13 H new ATOM 0 HA TYR A 23 2.233 -10.009 4.901 1.00 74.12 H new ATOM 0 HB2 TYR A 23 2.431 -7.597 3.060 1.00 53.54 H new ATOM 0 HB3 TYR A 23 1.997 -9.245 2.654 1.00 53.54 H new ATOM 0 HD1 TYR A 23 -0.342 -10.084 3.154 1.00 62.15 H new ATOM 0 HD2 TYR A 23 0.767 -6.033 3.909 1.00 22.53 H new ATOM 0 HE1 TYR A 23 -2.710 -9.459 3.370 1.00 20.41 H new ATOM 0 HE2 TYR A 23 -1.581 -5.428 4.141 1.00 52.53 H new ATOM 0 HH TYR A 23 -3.654 -6.156 4.332 1.00 61.42 H new ATOM 379 N GLN A 24 4.749 -9.907 4.425 1.00 31.34 N ATOM 380 CA GLN A 24 6.217 -9.875 4.296 1.00 51.53 C ATOM 381 C GLN A 24 6.574 -9.969 2.803 1.00 62.40 C ATOM 382 O GLN A 24 6.422 -11.023 2.181 1.00 24.13 O ATOM 383 CB GLN A 24 6.874 -11.023 5.122 1.00 13.33 C ATOM 384 CG GLN A 24 6.817 -10.830 6.663 1.00 0.21 C ATOM 385 CD GLN A 24 5.406 -10.926 7.271 1.00 54.33 C ATOM 386 OE1 GLN A 24 4.557 -11.685 6.804 1.00 65.40 O ATOM 387 NE2 GLN A 24 5.142 -10.155 8.317 1.00 63.32 N ATOM 0 H GLN A 24 4.342 -10.835 4.307 1.00 31.34 H new ATOM 0 HA GLN A 24 6.608 -8.941 4.699 1.00 51.53 H new ATOM 0 HB2 GLN A 24 6.382 -11.962 4.869 1.00 13.33 H new ATOM 0 HB3 GLN A 24 7.917 -11.118 4.820 1.00 13.33 H new ATOM 0 HG2 GLN A 24 7.452 -11.580 7.133 1.00 0.21 H new ATOM 0 HG3 GLN A 24 7.239 -9.856 6.909 1.00 0.21 H new ATOM 0 HE21 GLN A 24 5.861 -9.534 8.687 1.00 63.32 H new ATOM 0 HE22 GLN A 24 4.220 -10.183 8.752 1.00 63.32 H new ATOM 396 N LEU A 25 7.045 -8.843 2.245 1.00 10.35 N ATOM 397 CA LEU A 25 7.332 -8.685 0.812 1.00 14.30 C ATOM 398 C LEU A 25 8.845 -8.541 0.602 1.00 40.51 C ATOM 399 O LEU A 25 9.409 -7.471 0.837 1.00 55.32 O ATOM 400 CB LEU A 25 6.583 -7.434 0.238 1.00 35.14 C ATOM 401 CG LEU A 25 5.028 -7.413 0.381 1.00 34.15 C ATOM 402 CD1 LEU A 25 4.427 -6.136 -0.251 1.00 24.12 C ATOM 403 CD2 LEU A 25 4.387 -8.683 -0.213 1.00 12.33 C ATOM 0 H LEU A 25 7.240 -8.002 2.788 1.00 10.35 H new ATOM 0 HA LEU A 25 6.979 -9.569 0.281 1.00 14.30 H new ATOM 0 HB2 LEU A 25 6.981 -6.546 0.729 1.00 35.14 H new ATOM 0 HB3 LEU A 25 6.827 -7.349 -0.821 1.00 35.14 H new ATOM 0 HG LEU A 25 4.798 -7.399 1.446 1.00 34.15 H new ATOM 0 HD11 LEU A 25 3.343 -6.149 -0.136 1.00 24.12 H new ATOM 0 HD12 LEU A 25 4.834 -5.257 0.248 1.00 24.12 H new ATOM 0 HD13 LEU A 25 4.679 -6.101 -1.311 1.00 24.12 H new ATOM 0 HD21 LEU A 25 3.304 -8.633 -0.095 1.00 12.33 H new ATOM 0 HD22 LEU A 25 4.634 -8.754 -1.272 1.00 12.33 H new ATOM 0 HD23 LEU A 25 4.769 -9.561 0.308 1.00 12.33 H new ATOM 415 N TYR A 26 9.504 -9.643 0.219 1.00 63.55 N ATOM 416 CA TYR A 26 10.907 -9.618 -0.231 1.00 32.43 C ATOM 417 C TYR A 26 10.936 -9.473 -1.754 1.00 23.32 C ATOM 418 O TYR A 26 10.207 -10.178 -2.454 1.00 12.23 O ATOM 419 CB TYR A 26 11.665 -10.907 0.195 1.00 3.23 C ATOM 420 CG TYR A 26 13.136 -10.962 -0.287 1.00 1.31 C ATOM 421 CD1 TYR A 26 14.151 -10.310 0.419 1.00 13.41 C ATOM 422 CD2 TYR A 26 13.504 -11.648 -1.461 1.00 64.12 C ATOM 423 CE1 TYR A 26 15.466 -10.346 -0.013 1.00 23.33 C ATOM 424 CE2 TYR A 26 14.819 -11.681 -1.891 1.00 51.32 C ATOM 425 CZ TYR A 26 15.795 -11.028 -1.166 1.00 31.32 C ATOM 426 OH TYR A 26 17.110 -11.067 -1.593 1.00 20.33 O ATOM 0 H TYR A 26 9.085 -10.573 0.211 1.00 63.55 H new ATOM 0 HA TYR A 26 11.409 -8.772 0.238 1.00 32.43 H new ATOM 0 HB2 TYR A 26 11.647 -10.984 1.282 1.00 3.23 H new ATOM 0 HB3 TYR A 26 11.133 -11.775 -0.195 1.00 3.23 H new ATOM 0 HD1 TYR A 26 13.905 -9.767 1.320 1.00 13.41 H new ATOM 0 HD2 TYR A 26 12.746 -12.158 -2.036 1.00 64.12 H new ATOM 0 HE1 TYR A 26 16.234 -9.840 0.553 1.00 23.33 H new ATOM 0 HE2 TYR A 26 15.081 -12.216 -2.792 1.00 51.32 H new ATOM 0 HH TYR A 26 17.210 -10.512 -2.394 1.00 20.33 H new ATOM 436 N ALA A 27 11.811 -8.596 -2.250 1.00 43.43 N ATOM 437 CA ALA A 27 11.983 -8.329 -3.685 1.00 64.01 C ATOM 438 C ALA A 27 13.467 -8.138 -3.993 1.00 13.15 C ATOM 439 O ALA A 27 14.216 -7.685 -3.132 1.00 12.15 O ATOM 440 CB ALA A 27 11.203 -7.075 -4.071 1.00 70.23 C ATOM 0 H ALA A 27 12.431 -8.041 -1.660 1.00 43.43 H new ATOM 0 HA ALA A 27 11.604 -9.173 -4.261 1.00 64.01 H new ATOM 0 HB1 ALA A 27 11.332 -6.879 -5.135 1.00 70.23 H new ATOM 0 HB2 ALA A 27 10.145 -7.224 -3.855 1.00 70.23 H new ATOM 0 HB3 ALA A 27 11.574 -6.225 -3.498 1.00 70.23 H new ATOM 446 N VAL A 28 13.884 -8.491 -5.220 1.00 64.21 N ATOM 447 CA VAL A 28 15.266 -8.267 -5.687 1.00 42.11 C ATOM 448 C VAL A 28 15.445 -6.806 -6.152 1.00 30.13 C ATOM 449 O VAL A 28 16.483 -6.176 -5.907 1.00 74.22 O ATOM 450 CB VAL A 28 15.659 -9.270 -6.836 1.00 3.42 C ATOM 451 CG1 VAL A 28 17.119 -9.045 -7.309 1.00 45.43 C ATOM 452 CG2 VAL A 28 15.439 -10.737 -6.386 1.00 62.34 C ATOM 0 H VAL A 28 13.281 -8.936 -5.912 1.00 64.21 H new ATOM 0 HA VAL A 28 15.937 -8.452 -4.848 1.00 42.11 H new ATOM 0 HB VAL A 28 15.005 -9.074 -7.686 1.00 3.42 H new ATOM 0 HG11 VAL A 28 17.358 -9.753 -8.102 1.00 45.43 H new ATOM 0 HG12 VAL A 28 17.227 -8.028 -7.686 1.00 45.43 H new ATOM 0 HG13 VAL A 28 17.800 -9.195 -6.471 1.00 45.43 H new ATOM 0 HG21 VAL A 28 15.717 -11.412 -7.196 1.00 62.34 H new ATOM 0 HG22 VAL A 28 16.056 -10.946 -5.512 1.00 62.34 H new ATOM 0 HG23 VAL A 28 14.389 -10.887 -6.134 1.00 62.34 H new ATOM 462 N ARG A 29 14.412 -6.273 -6.818 1.00 63.04 N ATOM 463 CA ARG A 29 14.368 -4.862 -7.250 1.00 54.22 C ATOM 464 C ARG A 29 13.171 -4.152 -6.613 1.00 73.53 C ATOM 465 O ARG A 29 12.228 -4.798 -6.138 1.00 64.13 O ATOM 466 CB ARG A 29 14.268 -4.742 -8.797 1.00 2.10 C ATOM 467 CG ARG A 29 15.500 -5.234 -9.588 1.00 2.22 C ATOM 468 CD ARG A 29 15.336 -4.985 -11.101 1.00 40.43 C ATOM 469 NE ARG A 29 16.549 -5.313 -11.866 1.00 12.41 N ATOM 470 CZ ARG A 29 17.208 -4.462 -12.679 1.00 54.40 C ATOM 471 NH1 ARG A 29 16.800 -3.202 -12.840 1.00 4.01 N ATOM 472 NH2 ARG A 29 18.269 -4.889 -13.350 1.00 61.30 N ATOM 0 H ARG A 29 13.581 -6.805 -7.075 1.00 63.04 H new ATOM 0 HA ARG A 29 15.296 -4.391 -6.925 1.00 54.22 H new ATOM 0 HB2 ARG A 29 13.396 -5.305 -9.131 1.00 2.10 H new ATOM 0 HB3 ARG A 29 14.090 -3.697 -9.051 1.00 2.10 H new ATOM 0 HG2 ARG A 29 16.393 -4.722 -9.229 1.00 2.22 H new ATOM 0 HG3 ARG A 29 15.648 -6.299 -9.407 1.00 2.22 H new ATOM 0 HD2 ARG A 29 14.504 -5.581 -11.475 1.00 40.43 H new ATOM 0 HD3 ARG A 29 15.079 -3.939 -11.267 1.00 40.43 H new ATOM 0 HE ARG A 29 16.921 -6.258 -11.774 1.00 12.41 H new ATOM 0 HH11 ARG A 29 15.975 -2.866 -12.343 1.00 4.01 H new ATOM 0 HH12 ARG A 29 17.313 -2.575 -13.460 1.00 4.01 H new ATOM 0 HH21 ARG A 29 18.581 -5.855 -13.249 1.00 61.30 H new ATOM 0 HH22 ARG A 29 18.773 -4.252 -13.967 1.00 61.30 H new ATOM 486 N ASP A 30 13.218 -2.817 -6.643 1.00 12.51 N ATOM 487 CA ASP A 30 12.091 -1.956 -6.264 1.00 35.51 C ATOM 488 C ASP A 30 10.921 -2.154 -7.254 1.00 33.20 C ATOM 489 O ASP A 30 9.759 -2.125 -6.855 1.00 52.44 O ATOM 490 CB ASP A 30 12.553 -0.478 -6.211 1.00 35.11 C ATOM 491 CG ASP A 30 13.065 0.050 -7.565 1.00 11.31 C ATOM 492 OD1 ASP A 30 14.223 -0.253 -7.928 1.00 32.15 O ATOM 493 OD2 ASP A 30 12.312 0.749 -8.281 1.00 11.54 O ATOM 0 H ASP A 30 14.046 -2.298 -6.934 1.00 12.51 H new ATOM 0 HA ASP A 30 11.736 -2.231 -5.271 1.00 35.51 H new ATOM 0 HB2 ASP A 30 11.722 0.143 -5.878 1.00 35.11 H new ATOM 0 HB3 ASP A 30 13.344 -0.378 -5.468 1.00 35.11 H new ATOM 498 N GLU A 31 11.266 -2.398 -8.546 1.00 1.23 N ATOM 499 CA GLU A 31 10.305 -2.755 -9.612 1.00 10.41 C ATOM 500 C GLU A 31 9.496 -4.016 -9.247 1.00 24.13 C ATOM 501 O GLU A 31 8.286 -4.089 -9.502 1.00 30.03 O ATOM 502 CB GLU A 31 11.065 -2.975 -10.952 1.00 70.32 C ATOM 503 CG GLU A 31 11.608 -1.687 -11.612 1.00 31.14 C ATOM 504 CD GLU A 31 10.499 -0.808 -12.235 1.00 42.44 C ATOM 505 OE1 GLU A 31 10.018 -1.150 -13.340 1.00 71.14 O ATOM 506 OE2 GLU A 31 10.095 0.209 -11.633 1.00 40.25 O ATOM 0 H GLU A 31 12.230 -2.351 -8.875 1.00 1.23 H new ATOM 0 HA GLU A 31 9.600 -1.931 -9.723 1.00 10.41 H new ATOM 0 HB2 GLU A 31 11.899 -3.653 -10.772 1.00 70.32 H new ATOM 0 HB3 GLU A 31 10.396 -3.472 -11.655 1.00 70.32 H new ATOM 0 HG2 GLU A 31 12.148 -1.104 -10.866 1.00 31.14 H new ATOM 0 HG3 GLU A 31 12.326 -1.958 -12.386 1.00 31.14 H new ATOM 513 N GLU A 32 10.181 -5.000 -8.634 1.00 44.10 N ATOM 514 CA GLU A 32 9.551 -6.253 -8.194 1.00 2.44 C ATOM 515 C GLU A 32 8.572 -5.980 -7.027 1.00 40.23 C ATOM 516 O GLU A 32 7.474 -6.520 -7.004 1.00 2.03 O ATOM 517 CB GLU A 32 10.628 -7.281 -7.768 1.00 1.03 C ATOM 518 CG GLU A 32 11.703 -7.595 -8.832 1.00 0.02 C ATOM 519 CD GLU A 32 11.148 -8.148 -10.158 1.00 42.42 C ATOM 520 OE1 GLU A 32 10.716 -9.323 -10.192 1.00 0.42 O ATOM 521 OE2 GLU A 32 11.141 -7.417 -11.171 1.00 51.51 O ATOM 0 H GLU A 32 11.179 -4.947 -8.432 1.00 44.10 H new ATOM 0 HA GLU A 32 8.989 -6.671 -9.029 1.00 2.44 H new ATOM 0 HB2 GLU A 32 11.126 -6.910 -6.872 1.00 1.03 H new ATOM 0 HB3 GLU A 32 10.130 -8.211 -7.494 1.00 1.03 H new ATOM 0 HG2 GLU A 32 12.267 -6.685 -9.040 1.00 0.02 H new ATOM 0 HG3 GLU A 32 12.406 -8.318 -8.418 1.00 0.02 H new ATOM 528 N LEU A 33 8.984 -5.095 -6.092 1.00 24.41 N ATOM 529 CA LEU A 33 8.182 -4.726 -4.900 1.00 41.11 C ATOM 530 C LEU A 33 6.863 -4.026 -5.331 1.00 63.01 C ATOM 531 O LEU A 33 5.830 -4.210 -4.694 1.00 41.25 O ATOM 532 CB LEU A 33 9.029 -3.809 -3.943 1.00 73.11 C ATOM 533 CG LEU A 33 8.752 -3.912 -2.389 1.00 11.22 C ATOM 534 CD1 LEU A 33 7.326 -3.482 -1.982 1.00 24.31 C ATOM 535 CD2 LEU A 33 9.063 -5.328 -1.851 1.00 74.30 C ATOM 0 H LEU A 33 9.883 -4.615 -6.141 1.00 24.41 H new ATOM 0 HA LEU A 33 7.916 -5.632 -4.355 1.00 41.11 H new ATOM 0 HB2 LEU A 33 10.083 -4.032 -4.111 1.00 73.11 H new ATOM 0 HB3 LEU A 33 8.870 -2.773 -4.244 1.00 73.11 H new ATOM 0 HG LEU A 33 9.434 -3.199 -1.927 1.00 11.22 H new ATOM 0 HD11 LEU A 33 7.211 -3.580 -0.903 1.00 24.31 H new ATOM 0 HD12 LEU A 33 7.162 -2.444 -2.272 1.00 24.31 H new ATOM 0 HD13 LEU A 33 6.597 -4.118 -2.484 1.00 24.31 H new ATOM 0 HD21 LEU A 33 8.862 -5.363 -0.780 1.00 74.30 H new ATOM 0 HD22 LEU A 33 8.435 -6.058 -2.362 1.00 74.30 H new ATOM 0 HD23 LEU A 33 10.112 -5.563 -2.031 1.00 74.30 H new ATOM 547 N LYS A 34 6.926 -3.257 -6.435 1.00 32.41 N ATOM 548 CA LYS A 34 5.774 -2.495 -6.971 1.00 33.44 C ATOM 549 C LYS A 34 4.589 -3.409 -7.332 1.00 41.33 C ATOM 550 O LYS A 34 3.459 -3.169 -6.888 1.00 53.45 O ATOM 551 CB LYS A 34 6.217 -1.665 -8.204 1.00 51.04 C ATOM 552 CG LYS A 34 7.190 -0.522 -7.854 1.00 5.00 C ATOM 553 CD LYS A 34 7.810 0.163 -9.085 1.00 24.31 C ATOM 554 CE LYS A 34 6.765 0.767 -10.023 1.00 72.42 C ATOM 555 NZ LYS A 34 7.394 1.482 -11.164 1.00 24.52 N ATOM 0 H LYS A 34 7.778 -3.144 -6.984 1.00 32.41 H new ATOM 0 HA LYS A 34 5.429 -1.822 -6.186 1.00 33.44 H new ATOM 0 HB2 LYS A 34 6.692 -2.328 -8.927 1.00 51.04 H new ATOM 0 HB3 LYS A 34 5.334 -1.246 -8.687 1.00 51.04 H new ATOM 0 HG2 LYS A 34 6.661 0.225 -7.262 1.00 5.00 H new ATOM 0 HG3 LYS A 34 7.990 -0.917 -7.228 1.00 5.00 H new ATOM 0 HD2 LYS A 34 8.489 0.948 -8.753 1.00 24.31 H new ATOM 0 HD3 LYS A 34 8.408 -0.564 -9.636 1.00 24.31 H new ATOM 0 HE2 LYS A 34 6.117 -0.023 -10.402 1.00 72.42 H new ATOM 0 HE3 LYS A 34 6.132 1.458 -9.466 1.00 72.42 H new ATOM 0 HZ1 LYS A 34 6.714 1.550 -11.948 1.00 24.52 H new ATOM 0 HZ2 LYS A 34 7.673 2.438 -10.863 1.00 24.52 H new ATOM 0 HZ3 LYS A 34 8.236 0.959 -11.480 1.00 24.52 H new ATOM 569 N GLU A 35 4.858 -4.460 -8.130 1.00 1.03 N ATOM 570 CA GLU A 35 3.816 -5.415 -8.544 1.00 43.01 C ATOM 571 C GLU A 35 3.312 -6.244 -7.352 1.00 35.13 C ATOM 572 O GLU A 35 2.162 -6.654 -7.349 1.00 42.10 O ATOM 573 CB GLU A 35 4.308 -6.308 -9.719 1.00 22.23 C ATOM 574 CG GLU A 35 5.471 -7.297 -9.418 1.00 54.14 C ATOM 575 CD GLU A 35 5.009 -8.716 -9.016 1.00 34.22 C ATOM 576 OE1 GLU A 35 4.201 -9.316 -9.762 1.00 32.30 O ATOM 577 OE2 GLU A 35 5.460 -9.245 -7.978 1.00 63.02 O ATOM 0 H GLU A 35 5.786 -4.668 -8.499 1.00 1.03 H new ATOM 0 HA GLU A 35 2.963 -4.845 -8.913 1.00 43.01 H new ATOM 0 HB2 GLU A 35 3.459 -6.885 -10.084 1.00 22.23 H new ATOM 0 HB3 GLU A 35 4.622 -5.654 -10.533 1.00 22.23 H new ATOM 0 HG2 GLU A 35 6.108 -7.371 -10.300 1.00 54.14 H new ATOM 0 HG3 GLU A 35 6.084 -6.886 -8.616 1.00 54.14 H new ATOM 584 N LYS A 36 4.181 -6.448 -6.336 1.00 34.04 N ATOM 585 CA LYS A 36 3.807 -7.127 -5.076 1.00 33.31 C ATOM 586 C LYS A 36 2.766 -6.311 -4.298 1.00 43.11 C ATOM 587 O LYS A 36 1.827 -6.876 -3.740 1.00 75.04 O ATOM 588 CB LYS A 36 5.059 -7.388 -4.200 1.00 74.30 C ATOM 589 CG LYS A 36 6.062 -8.334 -4.873 1.00 44.50 C ATOM 590 CD LYS A 36 7.370 -8.531 -4.087 1.00 33.32 C ATOM 591 CE LYS A 36 8.390 -9.348 -4.902 1.00 63.42 C ATOM 592 NZ LYS A 36 7.847 -10.656 -5.352 1.00 41.43 N ATOM 0 H LYS A 36 5.155 -6.148 -6.366 1.00 34.04 H new ATOM 0 HA LYS A 36 3.361 -8.088 -5.333 1.00 33.31 H new ATOM 0 HB2 LYS A 36 5.550 -6.439 -3.982 1.00 74.30 H new ATOM 0 HB3 LYS A 36 4.748 -7.813 -3.246 1.00 74.30 H new ATOM 0 HG2 LYS A 36 5.588 -9.305 -5.017 1.00 44.50 H new ATOM 0 HG3 LYS A 36 6.301 -7.946 -5.863 1.00 44.50 H new ATOM 0 HD2 LYS A 36 7.796 -7.560 -3.835 1.00 33.32 H new ATOM 0 HD3 LYS A 36 7.159 -9.041 -3.147 1.00 33.32 H new ATOM 0 HE2 LYS A 36 8.701 -8.770 -5.772 1.00 63.42 H new ATOM 0 HE3 LYS A 36 9.281 -9.518 -4.297 1.00 63.42 H new ATOM 0 HZ1 LYS A 36 8.610 -11.221 -5.776 1.00 41.43 H new ATOM 0 HZ2 LYS A 36 7.450 -11.166 -4.537 1.00 41.43 H new ATOM 0 HZ3 LYS A 36 7.100 -10.497 -6.058 1.00 41.43 H new ATOM 606 N LEU A 37 2.957 -4.982 -4.275 1.00 73.34 N ATOM 607 CA LEU A 37 1.990 -4.038 -3.693 1.00 35.15 C ATOM 608 C LEU A 37 0.640 -4.116 -4.431 1.00 12.20 C ATOM 609 O LEU A 37 -0.402 -4.160 -3.785 1.00 74.14 O ATOM 610 CB LEU A 37 2.560 -2.600 -3.732 1.00 20.50 C ATOM 611 CG LEU A 37 3.832 -2.369 -2.865 1.00 10.53 C ATOM 612 CD1 LEU A 37 4.501 -1.036 -3.216 1.00 11.44 C ATOM 613 CD2 LEU A 37 3.510 -2.458 -1.358 1.00 13.15 C ATOM 0 H LEU A 37 3.787 -4.532 -4.660 1.00 73.34 H new ATOM 0 HA LEU A 37 1.817 -4.312 -2.652 1.00 35.15 H new ATOM 0 HB2 LEU A 37 2.793 -2.346 -4.766 1.00 20.50 H new ATOM 0 HB3 LEU A 37 1.784 -1.909 -3.402 1.00 20.50 H new ATOM 0 HG LEU A 37 4.539 -3.166 -3.093 1.00 10.53 H new ATOM 0 HD11 LEU A 37 5.387 -0.899 -2.596 1.00 11.44 H new ATOM 0 HD12 LEU A 37 4.790 -1.040 -4.267 1.00 11.44 H new ATOM 0 HD13 LEU A 37 3.802 -0.219 -3.035 1.00 11.44 H new ATOM 0 HD21 LEU A 37 4.420 -2.292 -0.781 1.00 13.15 H new ATOM 0 HD22 LEU A 37 2.772 -1.699 -1.098 1.00 13.15 H new ATOM 0 HD23 LEU A 37 3.110 -3.446 -1.129 1.00 13.15 H new ATOM 625 N LYS A 38 0.678 -4.163 -5.786 1.00 20.13 N ATOM 626 CA LYS A 38 -0.541 -4.311 -6.621 1.00 60.02 C ATOM 627 C LYS A 38 -1.276 -5.639 -6.320 1.00 71.22 C ATOM 628 O LYS A 38 -2.508 -5.662 -6.252 1.00 43.23 O ATOM 629 CB LYS A 38 -0.181 -4.218 -8.130 1.00 51.23 C ATOM 630 CG LYS A 38 0.500 -2.889 -8.527 1.00 71.31 C ATOM 631 CD LYS A 38 0.769 -2.773 -10.045 1.00 70.25 C ATOM 632 CE LYS A 38 -0.522 -2.740 -10.881 1.00 40.24 C ATOM 633 NZ LYS A 38 -0.242 -2.709 -12.346 1.00 52.41 N ATOM 0 H LYS A 38 1.542 -4.100 -6.325 1.00 20.13 H new ATOM 0 HA LYS A 38 -1.217 -3.493 -6.370 1.00 60.02 H new ATOM 0 HB2 LYS A 38 0.480 -5.046 -8.388 1.00 51.23 H new ATOM 0 HB3 LYS A 38 -1.090 -4.340 -8.719 1.00 51.23 H new ATOM 0 HG2 LYS A 38 -0.130 -2.057 -8.211 1.00 71.31 H new ATOM 0 HG3 LYS A 38 1.444 -2.797 -7.989 1.00 71.31 H new ATOM 0 HD2 LYS A 38 1.345 -1.868 -10.239 1.00 70.25 H new ATOM 0 HD3 LYS A 38 1.382 -3.615 -10.366 1.00 70.25 H new ATOM 0 HE2 LYS A 38 -1.127 -3.616 -10.647 1.00 40.24 H new ATOM 0 HE3 LYS A 38 -1.109 -1.864 -10.606 1.00 40.24 H new ATOM 0 HZ1 LYS A 38 -1.131 -2.568 -12.866 1.00 52.41 H new ATOM 0 HZ2 LYS A 38 0.411 -1.928 -12.558 1.00 52.41 H new ATOM 0 HZ3 LYS A 38 0.190 -3.610 -12.636 1.00 52.41 H new ATOM 647 N LYS A 39 -0.494 -6.727 -6.107 1.00 43.03 N ATOM 648 CA LYS A 39 -1.030 -8.059 -5.740 1.00 32.20 C ATOM 649 C LYS A 39 -1.783 -7.992 -4.394 1.00 13.40 C ATOM 650 O LYS A 39 -2.949 -8.377 -4.308 1.00 43.41 O ATOM 651 CB LYS A 39 0.103 -9.128 -5.643 1.00 73.31 C ATOM 652 CG LYS A 39 0.862 -9.421 -6.961 1.00 74.04 C ATOM 653 CD LYS A 39 0.000 -10.105 -8.047 1.00 60.32 C ATOM 654 CE LYS A 39 0.740 -10.250 -9.392 1.00 32.14 C ATOM 655 NZ LYS A 39 1.993 -11.042 -9.288 1.00 51.51 N ATOM 0 H LYS A 39 0.523 -6.704 -6.185 1.00 43.03 H new ATOM 0 HA LYS A 39 -1.720 -8.355 -6.530 1.00 32.20 H new ATOM 0 HB2 LYS A 39 0.824 -8.800 -4.895 1.00 73.31 H new ATOM 0 HB3 LYS A 39 -0.331 -10.060 -5.280 1.00 73.31 H new ATOM 0 HG2 LYS A 39 1.252 -8.484 -7.359 1.00 74.04 H new ATOM 0 HG3 LYS A 39 1.720 -10.056 -6.740 1.00 74.04 H new ATOM 0 HD2 LYS A 39 -0.303 -11.091 -7.696 1.00 60.32 H new ATOM 0 HD3 LYS A 39 -0.911 -9.527 -8.199 1.00 60.32 H new ATOM 0 HE2 LYS A 39 0.077 -10.725 -10.115 1.00 32.14 H new ATOM 0 HE3 LYS A 39 0.976 -9.258 -9.779 1.00 32.14 H new ATOM 0 HZ1 LYS A 39 2.812 -10.417 -9.432 1.00 51.51 H new ATOM 0 HZ2 LYS A 39 2.051 -11.477 -8.345 1.00 51.51 H new ATOM 0 HZ3 LYS A 39 1.994 -11.787 -10.014 1.00 51.51 H new ATOM 669 N VAL A 40 -1.078 -7.480 -3.365 1.00 14.32 N ATOM 670 CA VAL A 40 -1.579 -7.367 -1.981 1.00 53.35 C ATOM 671 C VAL A 40 -2.867 -6.520 -1.895 1.00 42.12 C ATOM 672 O VAL A 40 -3.872 -6.974 -1.334 1.00 12.40 O ATOM 673 CB VAL A 40 -0.458 -6.769 -1.042 1.00 33.52 C ATOM 674 CG1 VAL A 40 -1.008 -6.356 0.340 1.00 71.50 C ATOM 675 CG2 VAL A 40 0.715 -7.771 -0.886 1.00 52.14 C ATOM 0 H VAL A 40 -0.127 -7.127 -3.475 1.00 14.32 H new ATOM 0 HA VAL A 40 -1.833 -8.371 -1.642 1.00 53.35 H new ATOM 0 HB VAL A 40 -0.088 -5.863 -1.522 1.00 33.52 H new ATOM 0 HG11 VAL A 40 -0.199 -5.951 0.948 1.00 71.50 H new ATOM 0 HG12 VAL A 40 -1.780 -5.597 0.212 1.00 71.50 H new ATOM 0 HG13 VAL A 40 -1.434 -7.227 0.837 1.00 71.50 H new ATOM 0 HG21 VAL A 40 1.477 -7.341 -0.236 1.00 52.14 H new ATOM 0 HG22 VAL A 40 0.346 -8.698 -0.448 1.00 52.14 H new ATOM 0 HG23 VAL A 40 1.148 -7.979 -1.864 1.00 52.14 H new ATOM 685 N LEU A 41 -2.814 -5.315 -2.481 1.00 63.22 N ATOM 686 CA LEU A 41 -3.896 -4.320 -2.400 1.00 24.22 C ATOM 687 C LEU A 41 -5.165 -4.812 -3.116 1.00 2.22 C ATOM 688 O LEU A 41 -6.250 -4.780 -2.527 1.00 64.43 O ATOM 689 CB LEU A 41 -3.404 -2.962 -2.977 1.00 11.14 C ATOM 690 CG LEU A 41 -2.339 -2.215 -2.106 1.00 65.34 C ATOM 691 CD1 LEU A 41 -1.661 -1.080 -2.892 1.00 64.51 C ATOM 692 CD2 LEU A 41 -2.967 -1.690 -0.801 1.00 44.01 C ATOM 0 H LEU A 41 -2.013 -5.000 -3.029 1.00 63.22 H new ATOM 0 HA LEU A 41 -4.162 -4.176 -1.353 1.00 24.22 H new ATOM 0 HB2 LEU A 41 -2.982 -3.137 -3.967 1.00 11.14 H new ATOM 0 HB3 LEU A 41 -4.266 -2.308 -3.109 1.00 11.14 H new ATOM 0 HG LEU A 41 -1.564 -2.935 -1.842 1.00 65.34 H new ATOM 0 HD11 LEU A 41 -0.928 -0.584 -2.256 1.00 64.51 H new ATOM 0 HD12 LEU A 41 -1.161 -1.493 -3.768 1.00 64.51 H new ATOM 0 HD13 LEU A 41 -2.413 -0.358 -3.210 1.00 64.51 H new ATOM 0 HD21 LEU A 41 -2.207 -1.175 -0.213 1.00 44.01 H new ATOM 0 HD22 LEU A 41 -3.774 -0.997 -1.039 1.00 44.01 H new ATOM 0 HD23 LEU A 41 -3.365 -2.526 -0.226 1.00 44.01 H new ATOM 704 N ASN A 42 -5.005 -5.306 -4.366 1.00 53.42 N ATOM 705 CA ASN A 42 -6.132 -5.792 -5.199 1.00 34.42 C ATOM 706 C ASN A 42 -6.849 -6.978 -4.501 1.00 11.10 C ATOM 707 O ASN A 42 -8.079 -6.963 -4.379 1.00 64.52 O ATOM 708 CB ASN A 42 -5.606 -6.163 -6.624 1.00 35.43 C ATOM 709 CG ASN A 42 -6.690 -6.293 -7.709 1.00 53.11 C ATOM 710 OD1 ASN A 42 -7.800 -6.747 -7.465 1.00 1.22 O ATOM 711 ND2 ASN A 42 -6.366 -5.890 -8.930 1.00 63.11 N ATOM 0 H ASN A 42 -4.097 -5.379 -4.824 1.00 53.42 H new ATOM 0 HA ASN A 42 -6.875 -5.003 -5.316 1.00 34.42 H new ATOM 0 HB2 ASN A 42 -4.889 -5.404 -6.938 1.00 35.43 H new ATOM 0 HB3 ASN A 42 -5.064 -7.106 -6.560 1.00 35.43 H new ATOM 0 HD21 ASN A 42 -7.047 -5.956 -9.686 1.00 63.11 H new ATOM 0 HD22 ASN A 42 -5.435 -5.514 -9.113 1.00 63.11 H new ATOM 718 N GLU A 43 -6.058 -7.956 -3.989 1.00 25.21 N ATOM 719 CA GLU A 43 -6.582 -9.134 -3.239 1.00 44.13 C ATOM 720 C GLU A 43 -7.341 -8.721 -1.965 1.00 63.01 C ATOM 721 O GLU A 43 -8.414 -9.258 -1.668 1.00 73.52 O ATOM 722 CB GLU A 43 -5.421 -10.100 -2.862 1.00 43.10 C ATOM 723 CG GLU A 43 -4.844 -10.932 -4.030 1.00 21.32 C ATOM 724 CD GLU A 43 -5.676 -12.178 -4.391 1.00 52.11 C ATOM 725 OE1 GLU A 43 -6.704 -12.051 -5.082 1.00 30.12 O ATOM 726 OE2 GLU A 43 -5.300 -13.298 -3.979 1.00 63.11 O ATOM 0 H GLU A 43 -5.042 -7.953 -4.082 1.00 25.21 H new ATOM 0 HA GLU A 43 -7.285 -9.643 -3.899 1.00 44.13 H new ATOM 0 HB2 GLU A 43 -4.613 -9.515 -2.421 1.00 43.10 H new ATOM 0 HB3 GLU A 43 -5.776 -10.784 -2.092 1.00 43.10 H new ATOM 0 HG2 GLU A 43 -4.765 -10.295 -4.911 1.00 21.32 H new ATOM 0 HG3 GLU A 43 -3.833 -11.247 -3.772 1.00 21.32 H new ATOM 733 N ARG A 44 -6.764 -7.767 -1.223 1.00 75.00 N ATOM 734 CA ARG A 44 -7.331 -7.265 0.038 1.00 11.12 C ATOM 735 C ARG A 44 -8.659 -6.512 -0.204 1.00 2.50 C ATOM 736 O ARG A 44 -9.511 -6.426 0.686 1.00 73.24 O ATOM 737 CB ARG A 44 -6.282 -6.365 0.755 1.00 12.23 C ATOM 738 CG ARG A 44 -6.642 -5.927 2.193 1.00 30.52 C ATOM 739 CD ARG A 44 -6.971 -7.117 3.121 1.00 42.32 C ATOM 740 NE ARG A 44 -5.935 -8.161 3.081 1.00 30.23 N ATOM 741 CZ ARG A 44 -6.013 -9.368 3.661 1.00 14.14 C ATOM 742 NH1 ARG A 44 -7.083 -9.735 4.362 1.00 63.00 N ATOM 743 NH2 ARG A 44 -5.001 -10.210 3.525 1.00 63.41 N ATOM 0 H ARG A 44 -5.885 -7.318 -1.481 1.00 75.00 H new ATOM 0 HA ARG A 44 -7.565 -8.111 0.685 1.00 11.12 H new ATOM 0 HB2 ARG A 44 -5.333 -6.900 0.785 1.00 12.23 H new ATOM 0 HB3 ARG A 44 -6.125 -5.471 0.152 1.00 12.23 H new ATOM 0 HG2 ARG A 44 -5.809 -5.364 2.615 1.00 30.52 H new ATOM 0 HG3 ARG A 44 -7.498 -5.253 2.158 1.00 30.52 H new ATOM 0 HD2 ARG A 44 -7.081 -6.757 4.144 1.00 42.32 H new ATOM 0 HD3 ARG A 44 -7.929 -7.548 2.830 1.00 42.32 H new ATOM 0 HE ARG A 44 -5.081 -7.948 2.566 1.00 30.23 H new ATOM 0 HH11 ARG A 44 -7.868 -9.093 4.468 1.00 63.00 H new ATOM 0 HH12 ARG A 44 -7.118 -10.659 4.793 1.00 63.00 H new ATOM 0 HH21 ARG A 44 -4.179 -9.937 2.986 1.00 63.41 H new ATOM 0 HH22 ARG A 44 -5.043 -11.132 3.959 1.00 63.41 H new ATOM 757 N MET A 45 -8.827 -5.980 -1.431 1.00 24.13 N ATOM 758 CA MET A 45 -10.067 -5.296 -1.830 1.00 3.14 C ATOM 759 C MET A 45 -11.151 -6.271 -2.353 1.00 62.14 C ATOM 760 O MET A 45 -12.292 -5.856 -2.469 1.00 30.35 O ATOM 761 CB MET A 45 -9.797 -4.177 -2.874 1.00 14.30 C ATOM 762 CG MET A 45 -8.939 -3.004 -2.365 1.00 34.22 C ATOM 763 SD MET A 45 -9.055 -1.546 -3.429 1.00 23.02 S ATOM 764 CE MET A 45 -10.748 -1.010 -3.138 1.00 61.10 C ATOM 0 H MET A 45 -8.116 -6.013 -2.162 1.00 24.13 H new ATOM 0 HA MET A 45 -10.457 -4.836 -0.922 1.00 3.14 H new ATOM 0 HB2 MET A 45 -9.303 -4.620 -3.739 1.00 14.30 H new ATOM 0 HB3 MET A 45 -10.754 -3.785 -3.219 1.00 14.30 H new ATOM 0 HG2 MET A 45 -9.254 -2.739 -1.356 1.00 34.22 H new ATOM 0 HG3 MET A 45 -7.898 -3.321 -2.301 1.00 34.22 H new ATOM 0 HE1 MET A 45 -10.849 0.041 -3.410 1.00 61.10 H new ATOM 0 HE2 MET A 45 -11.428 -1.609 -3.744 1.00 61.10 H new ATOM 0 HE3 MET A 45 -10.994 -1.137 -2.084 1.00 61.10 H new ATOM 774 N ASP A 46 -10.817 -7.539 -2.671 1.00 43.15 N ATOM 775 CA ASP A 46 -11.827 -8.525 -3.188 1.00 44.30 C ATOM 776 C ASP A 46 -12.997 -8.795 -2.191 1.00 33.13 C ATOM 777 O ASP A 46 -14.153 -8.842 -2.643 1.00 71.23 O ATOM 778 CB ASP A 46 -11.166 -9.853 -3.682 1.00 34.02 C ATOM 779 CG ASP A 46 -10.635 -9.750 -5.125 1.00 0.44 C ATOM 780 OD1 ASP A 46 -9.708 -8.968 -5.364 1.00 1.01 O ATOM 781 OD2 ASP A 46 -11.174 -10.416 -6.039 1.00 73.33 O ATOM 0 H ASP A 46 -9.872 -7.914 -2.585 1.00 43.15 H new ATOM 0 HA ASP A 46 -12.277 -8.047 -4.058 1.00 44.30 H new ATOM 0 HB2 ASP A 46 -10.345 -10.116 -3.015 1.00 34.02 H new ATOM 0 HB3 ASP A 46 -11.895 -10.661 -3.624 1.00 34.02 H new ATOM 786 N PRO A 47 -12.749 -8.990 -0.833 1.00 1.03 N ATOM 787 CA PRO A 47 -13.849 -8.977 0.175 1.00 52.31 C ATOM 788 C PRO A 47 -14.650 -7.657 0.133 1.00 34.14 C ATOM 789 O PRO A 47 -15.872 -7.664 0.232 1.00 4.14 O ATOM 790 CB PRO A 47 -13.111 -9.159 1.539 1.00 73.44 C ATOM 791 CG PRO A 47 -11.665 -8.878 1.250 1.00 32.34 C ATOM 792 CD PRO A 47 -11.445 -9.325 -0.178 1.00 73.00 C ATOM 0 HA PRO A 47 -14.588 -9.757 -0.008 1.00 52.31 H new ATOM 0 HB2 PRO A 47 -13.502 -8.474 2.292 1.00 73.44 H new ATOM 0 HB3 PRO A 47 -13.245 -10.169 1.927 1.00 73.44 H new ATOM 0 HG2 PRO A 47 -11.440 -7.818 1.369 1.00 32.34 H new ATOM 0 HG3 PRO A 47 -11.015 -9.421 1.936 1.00 32.34 H new ATOM 0 HD2 PRO A 47 -10.611 -8.799 -0.643 1.00 73.00 H new ATOM 0 HD3 PRO A 47 -11.223 -10.390 -0.239 1.00 73.00 H new ATOM 800 N ILE A 48 -13.927 -6.552 -0.102 1.00 54.44 N ATOM 801 CA ILE A 48 -14.457 -5.175 -0.062 1.00 21.32 C ATOM 802 C ILE A 48 -15.360 -4.893 -1.298 1.00 21.41 C ATOM 803 O ILE A 48 -16.319 -4.110 -1.224 1.00 74.32 O ATOM 804 CB ILE A 48 -13.239 -4.173 -0.004 1.00 60.54 C ATOM 805 CG1 ILE A 48 -12.383 -4.397 1.288 1.00 3.40 C ATOM 806 CG2 ILE A 48 -13.660 -2.702 -0.142 1.00 11.11 C ATOM 807 CD1 ILE A 48 -13.076 -4.053 2.594 1.00 25.45 C ATOM 0 H ILE A 48 -12.934 -6.589 -0.331 1.00 54.44 H new ATOM 0 HA ILE A 48 -15.079 -5.043 0.824 1.00 21.32 H new ATOM 0 HB ILE A 48 -12.619 -4.396 -0.872 1.00 60.54 H new ATOM 0 HG12 ILE A 48 -12.076 -5.442 1.323 1.00 3.40 H new ATOM 0 HG13 ILE A 48 -11.474 -3.800 1.210 1.00 3.40 H new ATOM 0 HG21 ILE A 48 -12.777 -2.065 -0.094 1.00 11.11 H new ATOM 0 HG22 ILE A 48 -14.162 -2.555 -1.098 1.00 11.11 H new ATOM 0 HG23 ILE A 48 -14.340 -2.441 0.669 1.00 11.11 H new ATOM 0 HD11 ILE A 48 -12.399 -4.243 3.426 1.00 25.45 H new ATOM 0 HD12 ILE A 48 -13.359 -3.000 2.590 1.00 25.45 H new ATOM 0 HD13 ILE A 48 -13.969 -4.668 2.705 1.00 25.45 H new ATOM 819 N LYS A 49 -15.060 -5.578 -2.421 1.00 33.03 N ATOM 820 CA LYS A 49 -15.819 -5.443 -3.679 1.00 2.34 C ATOM 821 C LYS A 49 -17.153 -6.176 -3.556 1.00 22.20 C ATOM 822 O LYS A 49 -18.185 -5.703 -4.048 1.00 61.35 O ATOM 823 CB LYS A 49 -15.005 -6.002 -4.875 1.00 73.34 C ATOM 824 CG LYS A 49 -13.665 -5.282 -5.141 1.00 61.01 C ATOM 825 CD LYS A 49 -12.703 -6.103 -6.039 1.00 40.42 C ATOM 826 CE LYS A 49 -11.318 -5.455 -6.164 1.00 22.35 C ATOM 827 NZ LYS A 49 -10.327 -6.370 -6.787 1.00 14.43 N ATOM 0 H LYS A 49 -14.286 -6.239 -2.480 1.00 33.03 H new ATOM 0 HA LYS A 49 -16.007 -4.385 -3.863 1.00 2.34 H new ATOM 0 HB2 LYS A 49 -14.804 -7.059 -4.697 1.00 73.34 H new ATOM 0 HB3 LYS A 49 -15.619 -5.941 -5.774 1.00 73.34 H new ATOM 0 HG2 LYS A 49 -13.863 -4.321 -5.615 1.00 61.01 H new ATOM 0 HG3 LYS A 49 -13.176 -5.074 -4.189 1.00 61.01 H new ATOM 0 HD2 LYS A 49 -12.595 -7.107 -5.628 1.00 40.42 H new ATOM 0 HD3 LYS A 49 -13.141 -6.211 -7.031 1.00 40.42 H new ATOM 0 HE2 LYS A 49 -11.396 -4.546 -6.760 1.00 22.35 H new ATOM 0 HE3 LYS A 49 -10.966 -5.159 -5.176 1.00 22.35 H new ATOM 0 HZ1 LYS A 49 -9.391 -5.917 -6.790 1.00 14.43 H new ATOM 0 HZ2 LYS A 49 -10.282 -7.255 -6.243 1.00 14.43 H new ATOM 0 HZ3 LYS A 49 -10.614 -6.579 -7.765 1.00 14.43 H new ATOM 841 N LYS A 50 -17.104 -7.343 -2.899 1.00 12.53 N ATOM 842 CA LYS A 50 -18.294 -8.127 -2.548 1.00 22.22 C ATOM 843 C LYS A 50 -19.129 -7.419 -1.457 1.00 64.24 C ATOM 844 O LYS A 50 -20.353 -7.610 -1.386 1.00 63.14 O ATOM 845 CB LYS A 50 -17.850 -9.540 -2.118 1.00 42.30 C ATOM 846 CG LYS A 50 -18.989 -10.472 -1.654 1.00 34.31 C ATOM 847 CD LYS A 50 -18.574 -11.950 -1.455 1.00 63.41 C ATOM 848 CE LYS A 50 -17.434 -12.182 -0.432 1.00 73.35 C ATOM 849 NZ LYS A 50 -16.082 -11.839 -0.960 1.00 70.40 N ATOM 0 H LYS A 50 -16.230 -7.772 -2.594 1.00 12.53 H new ATOM 0 HA LYS A 50 -18.945 -8.216 -3.417 1.00 22.22 H new ATOM 0 HB2 LYS A 50 -17.334 -10.012 -2.954 1.00 42.30 H new ATOM 0 HB3 LYS A 50 -17.126 -9.446 -1.308 1.00 42.30 H new ATOM 0 HG2 LYS A 50 -19.391 -10.092 -0.715 1.00 34.31 H new ATOM 0 HG3 LYS A 50 -19.795 -10.431 -2.386 1.00 34.31 H new ATOM 0 HD2 LYS A 50 -19.449 -12.517 -1.135 1.00 63.41 H new ATOM 0 HD3 LYS A 50 -18.265 -12.357 -2.418 1.00 63.41 H new ATOM 0 HE2 LYS A 50 -17.629 -11.586 0.459 1.00 73.35 H new ATOM 0 HE3 LYS A 50 -17.440 -13.227 -0.124 1.00 73.35 H new ATOM 0 HZ1 LYS A 50 -15.360 -12.381 -0.444 1.00 70.40 H new ATOM 0 HZ2 LYS A 50 -16.035 -12.074 -1.972 1.00 70.40 H new ATOM 0 HZ3 LYS A 50 -15.907 -10.822 -0.833 1.00 70.40 H new ATOM 863 N LEU A 51 -18.475 -6.580 -0.633 1.00 21.23 N ATOM 864 CA LEU A 51 -19.187 -5.717 0.327 1.00 53.50 C ATOM 865 C LEU A 51 -19.900 -4.578 -0.440 1.00 21.32 C ATOM 866 O LEU A 51 -20.965 -4.116 -0.034 1.00 70.42 O ATOM 867 CB LEU A 51 -18.231 -5.112 1.403 1.00 73.25 C ATOM 868 CG LEU A 51 -17.539 -6.100 2.396 1.00 41.13 C ATOM 869 CD1 LEU A 51 -16.690 -5.340 3.443 1.00 40.54 C ATOM 870 CD2 LEU A 51 -18.563 -7.029 3.071 1.00 53.21 C ATOM 0 H LEU A 51 -17.460 -6.482 -0.612 1.00 21.23 H new ATOM 0 HA LEU A 51 -19.915 -6.335 0.852 1.00 53.50 H new ATOM 0 HB2 LEU A 51 -17.450 -4.556 0.884 1.00 73.25 H new ATOM 0 HB3 LEU A 51 -18.800 -4.390 1.989 1.00 73.25 H new ATOM 0 HG LEU A 51 -16.863 -6.728 1.816 1.00 41.13 H new ATOM 0 HD11 LEU A 51 -16.221 -6.055 4.120 1.00 40.54 H new ATOM 0 HD12 LEU A 51 -15.918 -4.761 2.935 1.00 40.54 H new ATOM 0 HD13 LEU A 51 -17.331 -4.668 4.013 1.00 40.54 H new ATOM 0 HD21 LEU A 51 -18.047 -7.703 3.755 1.00 53.21 H new ATOM 0 HD22 LEU A 51 -19.286 -6.431 3.626 1.00 53.21 H new ATOM 0 HD23 LEU A 51 -19.082 -7.612 2.310 1.00 53.21 H new ATOM 882 N GLY A 52 -19.282 -4.143 -1.556 1.00 42.50 N ATOM 883 CA GLY A 52 -19.836 -3.094 -2.417 1.00 5.45 C ATOM 884 C GLY A 52 -19.528 -1.700 -1.898 1.00 41.24 C ATOM 885 O GLY A 52 -20.370 -0.799 -1.971 1.00 14.31 O ATOM 0 H GLY A 52 -18.388 -4.511 -1.880 1.00 42.50 H new ATOM 0 HA2 GLY A 52 -19.432 -3.202 -3.424 1.00 5.45 H new ATOM 0 HA3 GLY A 52 -20.916 -3.221 -2.492 1.00 5.45 H new ATOM 889 N CYS A 53 -18.309 -1.540 -1.364 1.00 22.22 N ATOM 890 CA CYS A 53 -17.833 -0.274 -0.792 1.00 74.21 C ATOM 891 C CYS A 53 -17.525 0.737 -1.904 1.00 14.13 C ATOM 892 O CYS A 53 -16.674 0.468 -2.761 1.00 62.52 O ATOM 893 CB CYS A 53 -16.565 -0.542 0.033 1.00 62.03 C ATOM 894 SG CYS A 53 -16.750 -1.903 1.228 1.00 65.45 S ATOM 0 H CYS A 53 -17.621 -2.292 -1.317 1.00 22.22 H new ATOM 0 HA CYS A 53 -18.610 0.144 -0.153 1.00 74.21 H new ATOM 0 HB2 CYS A 53 -15.743 -0.773 -0.644 1.00 62.03 H new ATOM 0 HB3 CYS A 53 -16.291 0.367 0.569 1.00 62.03 H new ATOM 899 N LYS A 54 -18.233 1.880 -1.900 1.00 71.44 N ATOM 900 CA LYS A 54 -18.008 2.963 -2.870 1.00 63.24 C ATOM 901 C LYS A 54 -16.620 3.584 -2.664 1.00 42.43 C ATOM 902 O LYS A 54 -15.812 3.629 -3.586 1.00 2.41 O ATOM 903 CB LYS A 54 -19.114 4.049 -2.750 1.00 2.12 C ATOM 904 CG LYS A 54 -18.995 5.221 -3.758 1.00 24.45 C ATOM 905 CD LYS A 54 -19.058 4.796 -5.249 1.00 34.12 C ATOM 906 CE LYS A 54 -20.438 4.251 -5.697 1.00 11.51 C ATOM 907 NZ LYS A 54 -20.715 2.856 -5.224 1.00 33.32 N ATOM 0 H LYS A 54 -18.974 2.077 -1.227 1.00 71.44 H new ATOM 0 HA LYS A 54 -18.054 2.540 -3.873 1.00 63.24 H new ATOM 0 HB2 LYS A 54 -20.085 3.573 -2.883 1.00 2.12 H new ATOM 0 HB3 LYS A 54 -19.094 4.456 -1.739 1.00 2.12 H new ATOM 0 HG2 LYS A 54 -19.796 5.934 -3.563 1.00 24.45 H new ATOM 0 HG3 LYS A 54 -18.054 5.742 -3.581 1.00 24.45 H new ATOM 0 HD2 LYS A 54 -18.799 5.653 -5.871 1.00 34.12 H new ATOM 0 HD3 LYS A 54 -18.302 4.032 -5.429 1.00 34.12 H new ATOM 0 HE2 LYS A 54 -21.219 4.914 -5.325 1.00 11.51 H new ATOM 0 HE3 LYS A 54 -20.492 4.274 -6.785 1.00 11.51 H new ATOM 0 HZ1 LYS A 54 -21.172 2.315 -5.986 1.00 33.32 H new ATOM 0 HZ2 LYS A 54 -19.821 2.395 -4.960 1.00 33.32 H new ATOM 0 HZ3 LYS A 54 -21.345 2.888 -4.397 1.00 33.32 H new ATOM 921 N ARG A 55 -16.363 4.039 -1.432 1.00 30.21 N ATOM 922 CA ARG A 55 -15.078 4.639 -1.026 1.00 75.20 C ATOM 923 C ARG A 55 -14.492 3.828 0.139 1.00 31.55 C ATOM 924 O ARG A 55 -15.230 3.317 0.986 1.00 52.32 O ATOM 925 CB ARG A 55 -15.276 6.132 -0.628 1.00 43.11 C ATOM 926 CG ARG A 55 -14.027 6.821 -0.020 1.00 24.54 C ATOM 927 CD ARG A 55 -14.232 8.323 0.246 1.00 51.53 C ATOM 928 NE ARG A 55 -14.322 9.107 -1.001 1.00 25.11 N ATOM 929 CZ ARG A 55 -13.778 10.327 -1.200 1.00 33.24 C ATOM 930 NH1 ARG A 55 -13.098 10.950 -0.229 1.00 60.52 N ATOM 931 NH2 ARG A 55 -13.911 10.905 -2.389 1.00 64.24 N ATOM 0 H ARG A 55 -17.047 4.002 -0.677 1.00 30.21 H new ATOM 0 HA ARG A 55 -14.380 4.612 -1.863 1.00 75.20 H new ATOM 0 HB2 ARG A 55 -15.585 6.690 -1.512 1.00 43.11 H new ATOM 0 HB3 ARG A 55 -16.093 6.195 0.091 1.00 43.11 H new ATOM 0 HG2 ARG A 55 -13.766 6.325 0.915 1.00 24.54 H new ATOM 0 HG3 ARG A 55 -13.183 6.690 -0.697 1.00 24.54 H new ATOM 0 HD2 ARG A 55 -15.142 8.465 0.828 1.00 51.53 H new ATOM 0 HD3 ARG A 55 -13.406 8.699 0.850 1.00 51.53 H new ATOM 0 HE ARG A 55 -14.838 8.693 -1.777 1.00 25.11 H new ATOM 0 HH11 ARG A 55 -12.983 10.503 0.681 1.00 60.52 H new ATOM 0 HH12 ARG A 55 -12.695 11.871 -0.399 1.00 60.52 H new ATOM 0 HH21 ARG A 55 -14.418 10.427 -3.134 1.00 64.24 H new ATOM 0 HH22 ARG A 55 -13.506 11.826 -2.556 1.00 64.24 H new ATOM 945 N VAL A 56 -13.162 3.712 0.154 1.00 1.14 N ATOM 946 CA VAL A 56 -12.406 2.992 1.192 1.00 71.12 C ATOM 947 C VAL A 56 -11.341 3.926 1.785 1.00 71.00 C ATOM 948 O VAL A 56 -10.797 4.775 1.075 1.00 62.21 O ATOM 949 CB VAL A 56 -11.729 1.688 0.618 1.00 30.23 C ATOM 950 CG1 VAL A 56 -12.793 0.699 0.098 1.00 75.44 C ATOM 951 CG2 VAL A 56 -10.689 2.000 -0.488 1.00 75.52 C ATOM 0 H VAL A 56 -12.566 4.121 -0.566 1.00 1.14 H new ATOM 0 HA VAL A 56 -13.102 2.683 1.972 1.00 71.12 H new ATOM 0 HB VAL A 56 -11.191 1.223 1.444 1.00 30.23 H new ATOM 0 HG11 VAL A 56 -12.301 -0.192 -0.293 1.00 75.44 H new ATOM 0 HG12 VAL A 56 -13.458 0.418 0.914 1.00 75.44 H new ATOM 0 HG13 VAL A 56 -13.372 1.171 -0.696 1.00 75.44 H new ATOM 0 HG21 VAL A 56 -10.252 1.069 -0.850 1.00 75.52 H new ATOM 0 HG22 VAL A 56 -11.179 2.516 -1.314 1.00 75.52 H new ATOM 0 HG23 VAL A 56 -9.903 2.635 -0.080 1.00 75.52 H new ATOM 961 N ARG A 57 -11.074 3.791 3.089 1.00 32.22 N ATOM 962 CA ARG A 57 -9.988 4.511 3.765 1.00 35.32 C ATOM 963 C ARG A 57 -8.900 3.500 4.115 1.00 30.11 C ATOM 964 O ARG A 57 -9.108 2.614 4.955 1.00 51.44 O ATOM 965 CB ARG A 57 -10.506 5.246 5.027 1.00 55.45 C ATOM 966 CG ARG A 57 -9.428 6.062 5.789 1.00 53.33 C ATOM 967 CD ARG A 57 -10.036 6.951 6.886 1.00 43.53 C ATOM 968 NE ARG A 57 -10.986 7.920 6.312 1.00 22.21 N ATOM 969 CZ ARG A 57 -12.099 8.386 6.893 1.00 74.33 C ATOM 970 NH1 ARG A 57 -12.455 7.998 8.116 1.00 54.42 N ATOM 971 NH2 ARG A 57 -12.856 9.251 6.226 1.00 74.53 N ATOM 0 H ARG A 57 -11.606 3.178 3.707 1.00 32.22 H new ATOM 0 HA ARG A 57 -9.580 5.278 3.106 1.00 35.32 H new ATOM 0 HB2 ARG A 57 -11.312 5.919 4.734 1.00 55.45 H new ATOM 0 HB3 ARG A 57 -10.936 4.512 5.708 1.00 55.45 H new ATOM 0 HG2 ARG A 57 -8.707 5.378 6.237 1.00 53.33 H new ATOM 0 HG3 ARG A 57 -8.880 6.685 5.082 1.00 53.33 H new ATOM 0 HD2 ARG A 57 -10.545 6.329 7.623 1.00 43.53 H new ATOM 0 HD3 ARG A 57 -9.242 7.482 7.411 1.00 43.53 H new ATOM 0 HE ARG A 57 -10.775 8.271 5.378 1.00 22.21 H new ATOM 0 HH11 ARG A 57 -11.876 7.333 8.629 1.00 54.42 H new ATOM 0 HH12 ARG A 57 -13.307 8.365 8.540 1.00 54.42 H new ATOM 0 HH21 ARG A 57 -12.585 9.548 5.289 1.00 74.53 H new ATOM 0 HH22 ARG A 57 -13.708 9.617 6.651 1.00 74.53 H new ATOM 985 N ILE A 58 -7.769 3.600 3.413 1.00 70.13 N ATOM 986 CA ILE A 58 -6.606 2.731 3.612 1.00 3.32 C ATOM 987 C ILE A 58 -5.506 3.527 4.337 1.00 53.00 C ATOM 988 O ILE A 58 -5.264 4.686 4.010 1.00 43.40 O ATOM 989 CB ILE A 58 -6.062 2.167 2.240 1.00 0.41 C ATOM 990 CG1 ILE A 58 -7.222 1.530 1.403 1.00 23.35 C ATOM 991 CG2 ILE A 58 -4.925 1.142 2.477 1.00 24.43 C ATOM 992 CD1 ILE A 58 -6.809 0.970 0.050 1.00 20.33 C ATOM 0 H ILE A 58 -7.633 4.296 2.680 1.00 70.13 H new ATOM 0 HA ILE A 58 -6.907 1.876 4.217 1.00 3.32 H new ATOM 0 HB ILE A 58 -5.651 3.000 1.670 1.00 0.41 H new ATOM 0 HG12 ILE A 58 -7.674 0.729 1.988 1.00 23.35 H new ATOM 0 HG13 ILE A 58 -7.993 2.284 1.247 1.00 23.35 H new ATOM 0 HG21 ILE A 58 -4.567 0.768 1.518 1.00 24.43 H new ATOM 0 HG22 ILE A 58 -4.104 1.625 3.007 1.00 24.43 H new ATOM 0 HG23 ILE A 58 -5.303 0.311 3.073 1.00 24.43 H new ATOM 0 HD11 ILE A 58 -7.681 0.552 -0.452 1.00 20.33 H new ATOM 0 HD12 ILE A 58 -6.387 1.768 -0.561 1.00 20.33 H new ATOM 0 HD13 ILE A 58 -6.063 0.188 0.192 1.00 20.33 H new ATOM 1004 N SER A 59 -4.890 2.914 5.350 1.00 44.20 N ATOM 1005 CA SER A 59 -3.730 3.459 6.063 1.00 14.14 C ATOM 1006 C SER A 59 -2.657 2.365 6.099 1.00 4.43 C ATOM 1007 O SER A 59 -2.820 1.341 6.769 1.00 23.42 O ATOM 1008 CB SER A 59 -4.135 3.910 7.487 1.00 14.42 C ATOM 1009 OG SER A 59 -5.162 4.889 7.435 1.00 4.32 O ATOM 0 H SER A 59 -5.189 2.006 5.706 1.00 44.20 H new ATOM 0 HA SER A 59 -3.339 4.340 5.555 1.00 14.14 H new ATOM 0 HB2 SER A 59 -4.476 3.049 8.062 1.00 14.42 H new ATOM 0 HB3 SER A 59 -3.266 4.316 8.005 1.00 14.42 H new ATOM 0 HG SER A 59 -5.404 5.158 8.346 1.00 4.32 H new ATOM 1015 N ILE A 60 -1.604 2.551 5.294 1.00 71.30 N ATOM 1016 CA ILE A 60 -0.508 1.590 5.162 1.00 61.11 C ATOM 1017 C ILE A 60 0.684 2.027 6.029 1.00 10.21 C ATOM 1018 O ILE A 60 1.202 3.142 5.870 1.00 33.43 O ATOM 1019 CB ILE A 60 -0.071 1.448 3.659 1.00 5.32 C ATOM 1020 CG1 ILE A 60 -1.274 0.964 2.788 1.00 35.32 C ATOM 1021 CG2 ILE A 60 1.146 0.507 3.503 1.00 64.22 C ATOM 1022 CD1 ILE A 60 -1.001 0.887 1.295 1.00 75.24 C ATOM 0 H ILE A 60 -1.490 3.381 4.712 1.00 71.30 H new ATOM 0 HA ILE A 60 -0.857 0.617 5.508 1.00 61.11 H new ATOM 0 HB ILE A 60 0.239 2.431 3.305 1.00 5.32 H new ATOM 0 HG12 ILE A 60 -1.581 -0.022 3.137 1.00 35.32 H new ATOM 0 HG13 ILE A 60 -2.116 1.637 2.953 1.00 35.32 H new ATOM 0 HG21 ILE A 60 1.418 0.435 2.450 1.00 64.22 H new ATOM 0 HG22 ILE A 60 1.989 0.905 4.069 1.00 64.22 H new ATOM 0 HG23 ILE A 60 0.891 -0.483 3.881 1.00 64.22 H new ATOM 0 HD11 ILE A 60 -1.897 0.541 0.779 1.00 75.24 H new ATOM 0 HD12 ILE A 60 -0.727 1.874 0.924 1.00 75.24 H new ATOM 0 HD13 ILE A 60 -0.184 0.190 1.110 1.00 75.24 H new ATOM 1034 N ARG A 61 1.098 1.143 6.953 1.00 4.43 N ATOM 1035 CA ARG A 61 2.304 1.314 7.768 1.00 42.20 C ATOM 1036 C ARG A 61 3.374 0.374 7.193 1.00 75.32 C ATOM 1037 O ARG A 61 3.312 -0.843 7.388 1.00 45.13 O ATOM 1038 CB ARG A 61 2.030 0.995 9.280 1.00 4.25 C ATOM 1039 CG ARG A 61 1.422 2.160 10.111 1.00 43.31 C ATOM 1040 CD ARG A 61 -0.028 2.544 9.733 1.00 4.30 C ATOM 1041 NE ARG A 61 -0.524 3.661 10.575 1.00 60.12 N ATOM 1042 CZ ARG A 61 -1.293 3.531 11.671 1.00 42.53 C ATOM 1043 NH1 ARG A 61 -1.689 2.332 12.095 1.00 74.13 N ATOM 1044 NH2 ARG A 61 -1.650 4.613 12.351 1.00 62.02 N ATOM 0 H ARG A 61 0.594 0.279 7.154 1.00 4.43 H new ATOM 0 HA ARG A 61 2.639 2.351 7.731 1.00 42.20 H new ATOM 0 HB2 ARG A 61 1.355 0.141 9.336 1.00 4.25 H new ATOM 0 HB3 ARG A 61 2.968 0.691 9.745 1.00 4.25 H new ATOM 0 HG2 ARG A 61 1.446 1.886 11.166 1.00 43.31 H new ATOM 0 HG3 ARG A 61 2.057 3.039 9.996 1.00 43.31 H new ATOM 0 HD2 ARG A 61 -0.069 2.831 8.682 1.00 4.30 H new ATOM 0 HD3 ARG A 61 -0.679 1.678 9.852 1.00 4.30 H new ATOM 0 HE ARG A 61 -0.260 4.607 10.299 1.00 60.12 H new ATOM 0 HH11 ARG A 61 -1.409 1.493 11.586 1.00 74.13 H new ATOM 0 HH12 ARG A 61 -2.272 2.253 12.928 1.00 74.13 H new ATOM 0 HH21 ARG A 61 -1.341 5.535 12.042 1.00 62.02 H new ATOM 0 HH22 ARG A 61 -2.233 4.523 13.183 1.00 62.02 H new ATOM 1058 N VAL A 62 4.330 0.947 6.450 1.00 63.23 N ATOM 1059 CA VAL A 62 5.400 0.183 5.788 1.00 43.35 C ATOM 1060 C VAL A 62 6.651 0.197 6.690 1.00 74.33 C ATOM 1061 O VAL A 62 6.888 1.180 7.402 1.00 64.02 O ATOM 1062 CB VAL A 62 5.717 0.785 4.357 1.00 60.23 C ATOM 1063 CG1 VAL A 62 6.507 2.114 4.415 1.00 61.23 C ATOM 1064 CG2 VAL A 62 6.441 -0.233 3.468 1.00 72.42 C ATOM 0 H VAL A 62 4.385 1.953 6.290 1.00 63.23 H new ATOM 0 HA VAL A 62 5.077 -0.847 5.639 1.00 43.35 H new ATOM 0 HB VAL A 62 4.749 1.014 3.911 1.00 60.23 H new ATOM 0 HG11 VAL A 62 6.691 2.472 3.402 1.00 61.23 H new ATOM 0 HG12 VAL A 62 5.929 2.857 4.963 1.00 61.23 H new ATOM 0 HG13 VAL A 62 7.459 1.950 4.920 1.00 61.23 H new ATOM 0 HG21 VAL A 62 6.643 0.213 2.494 1.00 72.42 H new ATOM 0 HG22 VAL A 62 7.382 -0.522 3.937 1.00 72.42 H new ATOM 0 HG23 VAL A 62 5.814 -1.115 3.340 1.00 72.42 H new ATOM 1074 N LYS A 63 7.433 -0.894 6.690 1.00 23.31 N ATOM 1075 CA LYS A 63 8.673 -0.964 7.482 1.00 15.11 C ATOM 1076 C LYS A 63 9.819 -0.262 6.738 1.00 23.11 C ATOM 1077 O LYS A 63 10.296 -0.740 5.702 1.00 24.23 O ATOM 1078 CB LYS A 63 9.042 -2.432 7.811 1.00 25.12 C ATOM 1079 CG LYS A 63 8.098 -3.112 8.823 1.00 20.35 C ATOM 1080 CD LYS A 63 8.183 -2.532 10.244 1.00 71.15 C ATOM 1081 CE LYS A 63 9.553 -2.749 10.905 1.00 61.41 C ATOM 1082 NZ LYS A 63 9.911 -4.187 11.016 1.00 11.35 N ATOM 0 H LYS A 63 7.230 -1.737 6.153 1.00 23.31 H new ATOM 0 HA LYS A 63 8.507 -0.447 8.427 1.00 15.11 H new ATOM 0 HB2 LYS A 63 9.042 -3.010 6.887 1.00 25.12 H new ATOM 0 HB3 LYS A 63 10.058 -2.460 8.204 1.00 25.12 H new ATOM 0 HG2 LYS A 63 7.072 -3.021 8.465 1.00 20.35 H new ATOM 0 HG3 LYS A 63 8.329 -4.176 8.862 1.00 20.35 H new ATOM 0 HD2 LYS A 63 7.970 -1.464 10.207 1.00 71.15 H new ATOM 0 HD3 LYS A 63 7.411 -2.990 10.863 1.00 71.15 H new ATOM 0 HE2 LYS A 63 10.318 -2.231 10.326 1.00 61.41 H new ATOM 0 HE3 LYS A 63 9.548 -2.302 11.899 1.00 61.41 H new ATOM 0 HZ1 LYS A 63 10.843 -4.279 11.468 1.00 11.35 H new ATOM 0 HZ2 LYS A 63 9.197 -4.679 11.591 1.00 11.35 H new ATOM 0 HZ3 LYS A 63 9.943 -4.611 10.067 1.00 11.35 H new ATOM 1096 N HIS A 64 10.226 0.899 7.271 1.00 22.21 N ATOM 1097 CA HIS A 64 11.322 1.694 6.721 1.00 3.30 C ATOM 1098 C HIS A 64 12.641 1.072 7.219 1.00 51.10 C ATOM 1099 O HIS A 64 12.920 1.137 8.426 1.00 60.12 O ATOM 1100 CB HIS A 64 11.191 3.175 7.163 1.00 74.41 C ATOM 1101 CG HIS A 64 9.851 3.802 6.852 1.00 61.21 C ATOM 1102 ND1 HIS A 64 9.617 4.585 5.742 1.00 53.41 N ATOM 1103 CD2 HIS A 64 8.676 3.769 7.526 1.00 33.32 C ATOM 1104 CE1 HIS A 64 8.368 5.000 5.749 1.00 72.24 C ATOM 1105 NE2 HIS A 64 7.772 4.531 6.827 1.00 55.33 N ATOM 0 H HIS A 64 9.799 1.311 8.100 1.00 22.21 H new ATOM 0 HA HIS A 64 11.298 1.686 5.631 1.00 3.30 H new ATOM 0 HB2 HIS A 64 11.368 3.238 8.237 1.00 74.41 H new ATOM 0 HB3 HIS A 64 11.973 3.758 6.676 1.00 74.41 H new ATOM 0 HD2 HIS A 64 8.485 3.239 8.447 1.00 33.32 H new ATOM 0 HE1 HIS A 64 7.907 5.622 4.996 1.00 72.24 H new ATOM 0 HE2 HIS A 64 6.804 4.705 7.096 1.00 55.33 H new ATOM 1114 N SER A 65 13.403 0.476 6.256 1.00 21.41 N ATOM 1115 CA SER A 65 14.569 -0.437 6.461 1.00 20.35 C ATOM 1116 C SER A 65 15.242 -0.348 7.853 1.00 41.22 C ATOM 1117 O SER A 65 15.153 -1.283 8.654 1.00 22.34 O ATOM 1118 CB SER A 65 15.603 -0.202 5.333 1.00 45.04 C ATOM 1119 OG SER A 65 16.723 -1.071 5.447 1.00 43.33 O ATOM 0 H SER A 65 13.211 0.627 5.266 1.00 21.41 H new ATOM 0 HA SER A 65 14.170 -1.451 6.420 1.00 20.35 H new ATOM 0 HB2 SER A 65 15.124 -0.353 4.365 1.00 45.04 H new ATOM 0 HB3 SER A 65 15.943 0.833 5.363 1.00 45.04 H new ATOM 0 HG SER A 65 17.351 -0.892 4.716 1.00 43.33 H new ATOM 1125 N ASP A 66 15.897 0.791 8.125 1.00 74.20 N ATOM 1126 CA ASP A 66 16.507 1.109 9.433 1.00 74.41 C ATOM 1127 C ASP A 66 16.183 2.572 9.766 1.00 44.04 C ATOM 1128 O ASP A 66 15.642 3.298 8.919 1.00 74.44 O ATOM 1129 CB ASP A 66 18.049 0.867 9.422 1.00 12.14 C ATOM 1130 CG ASP A 66 18.436 -0.609 9.197 1.00 62.52 C ATOM 1131 OD1 ASP A 66 18.499 -1.044 8.026 1.00 13.14 O ATOM 1132 OD2 ASP A 66 18.640 -1.347 10.179 1.00 70.42 O ATOM 0 H ASP A 66 16.022 1.531 7.434 1.00 74.20 H new ATOM 0 HA ASP A 66 16.095 0.450 10.197 1.00 74.41 H new ATOM 0 HB2 ASP A 66 18.499 1.476 8.638 1.00 12.14 H new ATOM 0 HB3 ASP A 66 18.469 1.205 10.369 1.00 12.14 H new ATOM 1137 N ALA A 67 16.538 3.006 10.995 1.00 75.22 N ATOM 1138 CA ALA A 67 16.179 4.343 11.524 1.00 3.23 C ATOM 1139 C ALA A 67 16.831 5.471 10.698 1.00 11.23 C ATOM 1140 O ALA A 67 16.180 6.473 10.368 1.00 35.44 O ATOM 1141 CB ALA A 67 16.544 4.448 13.013 1.00 14.33 C ATOM 0 H ALA A 67 17.081 2.441 11.649 1.00 75.22 H new ATOM 0 HA ALA A 67 15.100 4.466 11.432 1.00 3.23 H new ATOM 0 HB1 ALA A 67 16.274 5.436 13.385 1.00 14.33 H new ATOM 0 HB2 ALA A 67 16.002 3.688 13.575 1.00 14.33 H new ATOM 0 HB3 ALA A 67 17.616 4.295 13.137 1.00 14.33 H new ATOM 1147 N ALA A 68 18.107 5.271 10.333 1.00 12.20 N ATOM 1148 CA ALA A 68 18.859 6.214 9.487 1.00 61.44 C ATOM 1149 C ALA A 68 18.393 6.146 8.018 1.00 71.14 C ATOM 1150 O ALA A 68 18.505 7.131 7.280 1.00 1.10 O ATOM 1151 CB ALA A 68 20.366 5.935 9.591 1.00 11.23 C ATOM 0 H ALA A 68 18.647 4.453 10.615 1.00 12.20 H new ATOM 0 HA ALA A 68 18.663 7.223 9.849 1.00 61.44 H new ATOM 0 HB1 ALA A 68 20.911 6.638 8.961 1.00 11.23 H new ATOM 0 HB2 ALA A 68 20.687 6.051 10.626 1.00 11.23 H new ATOM 0 HB3 ALA A 68 20.571 4.917 9.259 1.00 11.23 H new ATOM 1157 N GLU A 69 17.868 4.981 7.608 1.00 52.54 N ATOM 1158 CA GLU A 69 17.375 4.766 6.238 1.00 43.01 C ATOM 1159 C GLU A 69 16.015 5.465 6.003 1.00 42.34 C ATOM 1160 O GLU A 69 15.740 5.853 4.873 1.00 23.31 O ATOM 1161 CB GLU A 69 17.241 3.250 5.937 1.00 22.14 C ATOM 1162 CG GLU A 69 18.543 2.431 6.076 1.00 31.55 C ATOM 1163 CD GLU A 69 19.645 2.824 5.068 1.00 24.02 C ATOM 1164 OE1 GLU A 69 19.615 2.343 3.915 1.00 24.44 O ATOM 1165 OE2 GLU A 69 20.551 3.599 5.424 1.00 33.14 O ATOM 0 H GLU A 69 17.773 4.165 8.213 1.00 52.54 H new ATOM 0 HA GLU A 69 18.106 5.206 5.560 1.00 43.01 H new ATOM 0 HB2 GLU A 69 16.493 2.828 6.608 1.00 22.14 H new ATOM 0 HB3 GLU A 69 16.863 3.130 4.922 1.00 22.14 H new ATOM 0 HG2 GLU A 69 18.930 2.553 7.088 1.00 31.55 H new ATOM 0 HG3 GLU A 69 18.310 1.374 5.949 1.00 31.55 H new ATOM 1172 N GLU A 70 15.209 5.647 7.089 1.00 33.25 N ATOM 1173 CA GLU A 70 13.766 6.042 7.010 1.00 45.43 C ATOM 1174 C GLU A 70 13.477 7.219 6.053 1.00 52.42 C ATOM 1175 O GLU A 70 12.476 7.192 5.340 1.00 31.31 O ATOM 1176 CB GLU A 70 13.186 6.385 8.412 1.00 75.14 C ATOM 1177 CG GLU A 70 13.175 5.221 9.417 1.00 54.00 C ATOM 1178 CD GLU A 70 12.394 5.529 10.709 1.00 30.22 C ATOM 1179 OE1 GLU A 70 12.798 6.449 11.448 1.00 50.44 O ATOM 1180 OE2 GLU A 70 11.380 4.848 10.996 1.00 3.44 O ATOM 0 H GLU A 70 15.540 5.524 8.046 1.00 33.25 H new ATOM 0 HA GLU A 70 13.272 5.161 6.600 1.00 45.43 H new ATOM 0 HB2 GLU A 70 13.765 7.205 8.836 1.00 75.14 H new ATOM 0 HB3 GLU A 70 12.165 6.746 8.287 1.00 75.14 H new ATOM 0 HG2 GLU A 70 12.739 4.344 8.939 1.00 54.00 H new ATOM 0 HG3 GLU A 70 14.203 4.966 9.676 1.00 54.00 H new ATOM 1187 N LYS A 71 14.364 8.232 6.053 1.00 23.32 N ATOM 1188 CA LYS A 71 14.191 9.462 5.247 1.00 31.34 C ATOM 1189 C LYS A 71 14.264 9.150 3.731 1.00 42.50 C ATOM 1190 O LYS A 71 13.307 9.399 2.986 1.00 74.34 O ATOM 1191 CB LYS A 71 15.272 10.505 5.628 1.00 40.51 C ATOM 1192 CG LYS A 71 15.316 10.895 7.123 1.00 45.12 C ATOM 1193 CD LYS A 71 16.498 11.848 7.425 1.00 13.45 C ATOM 1194 CE LYS A 71 16.579 12.283 8.897 1.00 11.32 C ATOM 1195 NZ LYS A 71 16.748 11.136 9.824 1.00 62.23 N ATOM 0 H LYS A 71 15.219 8.224 6.609 1.00 23.32 H new ATOM 0 HA LYS A 71 13.205 9.873 5.462 1.00 31.34 H new ATOM 0 HB2 LYS A 71 16.248 10.113 5.343 1.00 40.51 H new ATOM 0 HB3 LYS A 71 15.107 11.407 5.039 1.00 40.51 H new ATOM 0 HG2 LYS A 71 14.379 11.376 7.403 1.00 45.12 H new ATOM 0 HG3 LYS A 71 15.407 9.996 7.732 1.00 45.12 H new ATOM 0 HD2 LYS A 71 17.430 11.355 7.149 1.00 13.45 H new ATOM 0 HD3 LYS A 71 16.408 12.735 6.798 1.00 13.45 H new ATOM 0 HE2 LYS A 71 17.414 12.973 9.023 1.00 11.32 H new ATOM 0 HE3 LYS A 71 15.673 12.828 9.161 1.00 11.32 H new ATOM 0 HZ1 LYS A 71 16.848 11.488 10.797 1.00 62.23 H new ATOM 0 HZ2 LYS A 71 15.916 10.516 9.764 1.00 62.23 H new ATOM 0 HZ3 LYS A 71 17.599 10.600 9.561 1.00 62.23 H new ATOM 1209 N LYS A 72 15.404 8.568 3.310 1.00 13.43 N ATOM 1210 CA LYS A 72 15.683 8.209 1.904 1.00 22.55 C ATOM 1211 C LYS A 72 14.730 7.089 1.416 1.00 21.10 C ATOM 1212 O LYS A 72 14.291 7.094 0.256 1.00 54.43 O ATOM 1213 CB LYS A 72 17.173 7.768 1.777 1.00 14.20 C ATOM 1214 CG LYS A 72 17.614 7.275 0.378 1.00 23.02 C ATOM 1215 CD LYS A 72 17.506 8.356 -0.720 1.00 45.05 C ATOM 1216 CE LYS A 72 17.887 7.820 -2.113 1.00 72.23 C ATOM 1217 NZ LYS A 72 17.614 8.820 -3.184 1.00 14.30 N ATOM 0 H LYS A 72 16.167 8.331 3.944 1.00 13.43 H new ATOM 0 HA LYS A 72 15.510 9.079 1.271 1.00 22.55 H new ATOM 0 HB2 LYS A 72 17.806 8.608 2.061 1.00 14.20 H new ATOM 0 HB3 LYS A 72 17.359 6.971 2.497 1.00 14.20 H new ATOM 0 HG2 LYS A 72 18.645 6.926 0.433 1.00 23.02 H new ATOM 0 HG3 LYS A 72 17.003 6.418 0.094 1.00 23.02 H new ATOM 0 HD2 LYS A 72 16.486 8.740 -0.748 1.00 45.05 H new ATOM 0 HD3 LYS A 72 18.156 9.194 -0.466 1.00 45.05 H new ATOM 0 HE2 LYS A 72 18.944 7.555 -2.124 1.00 72.23 H new ATOM 0 HE3 LYS A 72 17.327 6.907 -2.317 1.00 72.23 H new ATOM 0 HZ1 LYS A 72 17.883 8.423 -4.107 1.00 14.30 H new ATOM 0 HZ2 LYS A 72 16.601 9.054 -3.190 1.00 14.30 H new ATOM 0 HZ3 LYS A 72 18.167 9.682 -3.003 1.00 14.30 H new ATOM 1231 N GLU A 73 14.405 6.161 2.340 1.00 32.24 N ATOM 1232 CA GLU A 73 13.526 5.005 2.087 1.00 71.33 C ATOM 1233 C GLU A 73 12.111 5.501 1.762 1.00 41.21 C ATOM 1234 O GLU A 73 11.527 5.073 0.775 1.00 33.34 O ATOM 1235 CB GLU A 73 13.528 4.061 3.339 1.00 1.43 C ATOM 1236 CG GLU A 73 12.987 2.618 3.127 1.00 33.33 C ATOM 1237 CD GLU A 73 11.476 2.513 2.800 1.00 43.35 C ATOM 1238 OE1 GLU A 73 10.657 2.968 3.619 1.00 54.13 O ATOM 1239 OE2 GLU A 73 11.111 1.992 1.720 1.00 11.40 O ATOM 0 H GLU A 73 14.753 6.196 3.298 1.00 32.24 H new ATOM 0 HA GLU A 73 13.892 4.435 1.233 1.00 71.33 H new ATOM 0 HB2 GLU A 73 14.550 3.990 3.710 1.00 1.43 H new ATOM 0 HB3 GLU A 73 12.937 4.534 4.123 1.00 1.43 H new ATOM 0 HG2 GLU A 73 13.549 2.153 2.317 1.00 33.33 H new ATOM 0 HG3 GLU A 73 13.187 2.038 4.028 1.00 33.33 H new ATOM 1246 N ALA A 74 11.604 6.426 2.597 1.00 3.34 N ATOM 1247 CA ALA A 74 10.237 6.965 2.464 1.00 24.33 C ATOM 1248 C ALA A 74 10.069 7.772 1.163 1.00 2.44 C ATOM 1249 O ALA A 74 9.026 7.686 0.518 1.00 20.43 O ATOM 1250 CB ALA A 74 9.878 7.821 3.684 1.00 13.31 C ATOM 0 H ALA A 74 12.127 6.820 3.379 1.00 3.34 H new ATOM 0 HA ALA A 74 9.550 6.120 2.415 1.00 24.33 H new ATOM 0 HB1 ALA A 74 8.867 8.211 3.570 1.00 13.31 H new ATOM 0 HB2 ALA A 74 9.932 7.211 4.585 1.00 13.31 H new ATOM 0 HB3 ALA A 74 10.580 8.651 3.765 1.00 13.31 H new ATOM 1256 N LYS A 75 11.107 8.559 0.806 1.00 33.53 N ATOM 1257 CA LYS A 75 11.149 9.334 -0.455 1.00 61.35 C ATOM 1258 C LYS A 75 11.100 8.392 -1.687 1.00 21.05 C ATOM 1259 O LYS A 75 10.362 8.643 -2.654 1.00 13.42 O ATOM 1260 CB LYS A 75 12.424 10.226 -0.490 1.00 42.52 C ATOM 1261 CG LYS A 75 12.565 11.083 -1.769 1.00 71.15 C ATOM 1262 CD LYS A 75 13.824 11.979 -1.770 1.00 70.30 C ATOM 1263 CE LYS A 75 13.989 12.760 -3.089 1.00 64.55 C ATOM 1264 NZ LYS A 75 12.801 13.612 -3.392 1.00 44.04 N ATOM 0 H LYS A 75 11.940 8.675 1.383 1.00 33.53 H new ATOM 0 HA LYS A 75 10.271 9.979 -0.496 1.00 61.35 H new ATOM 0 HB2 LYS A 75 12.415 10.887 0.377 1.00 42.52 H new ATOM 0 HB3 LYS A 75 13.303 9.588 -0.395 1.00 42.52 H new ATOM 0 HG2 LYS A 75 12.596 10.425 -2.637 1.00 71.15 H new ATOM 0 HG3 LYS A 75 11.681 11.711 -1.876 1.00 71.15 H new ATOM 0 HD2 LYS A 75 13.767 12.682 -0.939 1.00 70.30 H new ATOM 0 HD3 LYS A 75 14.706 11.361 -1.604 1.00 70.30 H new ATOM 0 HE2 LYS A 75 14.878 13.387 -3.029 1.00 64.55 H new ATOM 0 HE3 LYS A 75 14.149 12.058 -3.907 1.00 64.55 H new ATOM 0 HZ1 LYS A 75 12.996 14.194 -4.231 1.00 44.04 H new ATOM 0 HZ2 LYS A 75 11.977 13.005 -3.576 1.00 44.04 H new ATOM 0 HZ3 LYS A 75 12.601 14.231 -2.580 1.00 44.04 H new ATOM 1278 N LYS A 76 11.883 7.296 -1.613 1.00 50.43 N ATOM 1279 CA LYS A 76 11.956 6.257 -2.662 1.00 12.04 C ATOM 1280 C LYS A 76 10.617 5.517 -2.774 1.00 13.13 C ATOM 1281 O LYS A 76 10.099 5.313 -3.872 1.00 15.54 O ATOM 1282 CB LYS A 76 13.140 5.285 -2.340 1.00 61.05 C ATOM 1283 CG LYS A 76 13.243 3.980 -3.206 1.00 71.22 C ATOM 1284 CD LYS A 76 12.561 2.736 -2.556 1.00 54.30 C ATOM 1285 CE LYS A 76 13.153 2.386 -1.176 1.00 4.50 C ATOM 1286 NZ LYS A 76 12.489 1.205 -0.555 1.00 0.41 N ATOM 0 H LYS A 76 12.489 7.105 -0.815 1.00 50.43 H new ATOM 0 HA LYS A 76 12.147 6.718 -3.631 1.00 12.04 H new ATOM 0 HB2 LYS A 76 14.073 5.839 -2.449 1.00 61.05 H new ATOM 0 HB3 LYS A 76 13.063 4.992 -1.293 1.00 61.05 H new ATOM 0 HG2 LYS A 76 12.788 4.164 -4.179 1.00 71.22 H new ATOM 0 HG3 LYS A 76 14.295 3.755 -3.383 1.00 71.22 H new ATOM 0 HD2 LYS A 76 11.493 2.926 -2.451 1.00 54.30 H new ATOM 0 HD3 LYS A 76 12.669 1.879 -3.221 1.00 54.30 H new ATOM 0 HE2 LYS A 76 14.219 2.186 -1.281 1.00 4.50 H new ATOM 0 HE3 LYS A 76 13.054 3.245 -0.513 1.00 4.50 H new ATOM 0 HZ1 LYS A 76 11.857 1.523 0.207 1.00 0.41 H new ATOM 0 HZ2 LYS A 76 11.936 0.699 -1.276 1.00 0.41 H new ATOM 0 HZ3 LYS A 76 13.211 0.568 -0.162 1.00 0.41 H new ATOM 1300 N PHE A 77 10.051 5.166 -1.610 1.00 74.11 N ATOM 1301 CA PHE A 77 8.832 4.351 -1.515 1.00 71.13 C ATOM 1302 C PHE A 77 7.590 5.196 -1.853 1.00 3.03 C ATOM 1303 O PHE A 77 6.541 4.650 -2.188 1.00 11.22 O ATOM 1304 CB PHE A 77 8.721 3.676 -0.113 1.00 44.42 C ATOM 1305 CG PHE A 77 7.940 2.361 -0.134 1.00 63.31 C ATOM 1306 CD1 PHE A 77 8.546 1.181 -0.583 1.00 71.05 C ATOM 1307 CD2 PHE A 77 6.607 2.298 0.259 1.00 22.31 C ATOM 1308 CE1 PHE A 77 7.839 -0.006 -0.637 1.00 43.53 C ATOM 1309 CE2 PHE A 77 5.905 1.109 0.207 1.00 50.52 C ATOM 1310 CZ PHE A 77 6.518 -0.041 -0.240 1.00 13.54 C ATOM 0 H PHE A 77 10.429 5.441 -0.703 1.00 74.11 H new ATOM 0 HA PHE A 77 8.890 3.548 -2.250 1.00 71.13 H new ATOM 0 HB2 PHE A 77 9.723 3.489 0.273 1.00 44.42 H new ATOM 0 HB3 PHE A 77 8.237 4.367 0.578 1.00 44.42 H new ATOM 0 HD1 PHE A 77 9.581 1.198 -0.892 1.00 71.05 H new ATOM 0 HD2 PHE A 77 6.113 3.192 0.610 1.00 22.31 H new ATOM 0 HE1 PHE A 77 8.321 -0.906 -0.990 1.00 43.53 H new ATOM 0 HE2 PHE A 77 4.871 1.081 0.518 1.00 50.52 H new ATOM 0 HZ PHE A 77 5.966 -0.968 -0.280 1.00 13.54 H new ATOM 1320 N ALA A 78 7.735 6.530 -1.751 1.00 2.24 N ATOM 1321 CA ALA A 78 6.724 7.489 -2.212 1.00 31.44 C ATOM 1322 C ALA A 78 6.571 7.395 -3.733 1.00 43.51 C ATOM 1323 O ALA A 78 5.451 7.385 -4.243 1.00 72.53 O ATOM 1324 CB ALA A 78 7.099 8.913 -1.785 1.00 41.23 C ATOM 0 H ALA A 78 8.560 6.971 -1.345 1.00 2.24 H new ATOM 0 HA ALA A 78 5.767 7.243 -1.752 1.00 31.44 H new ATOM 0 HB1 ALA A 78 6.338 9.610 -2.136 1.00 41.23 H new ATOM 0 HB2 ALA A 78 7.163 8.962 -0.698 1.00 41.23 H new ATOM 0 HB3 ALA A 78 8.063 9.181 -2.218 1.00 41.23 H new ATOM 1330 N ALA A 79 7.716 7.298 -4.442 1.00 23.23 N ATOM 1331 CA ALA A 79 7.753 7.122 -5.904 1.00 52.01 C ATOM 1332 C ALA A 79 7.199 5.737 -6.312 1.00 23.23 C ATOM 1333 O ALA A 79 6.451 5.624 -7.293 1.00 22.10 O ATOM 1334 CB ALA A 79 9.190 7.320 -6.419 1.00 51.13 C ATOM 0 H ALA A 79 8.640 7.340 -4.013 1.00 23.23 H new ATOM 0 HA ALA A 79 7.113 7.875 -6.363 1.00 52.01 H new ATOM 0 HB1 ALA A 79 9.210 7.188 -7.501 1.00 51.13 H new ATOM 0 HB2 ALA A 79 9.531 8.325 -6.169 1.00 51.13 H new ATOM 0 HB3 ALA A 79 9.848 6.587 -5.952 1.00 51.13 H new ATOM 1340 N ILE A 80 7.574 4.705 -5.525 1.00 63.03 N ATOM 1341 CA ILE A 80 7.113 3.310 -5.696 1.00 63.25 C ATOM 1342 C ILE A 80 5.573 3.226 -5.626 1.00 10.44 C ATOM 1343 O ILE A 80 4.927 2.730 -6.554 1.00 2.25 O ATOM 1344 CB ILE A 80 7.789 2.383 -4.604 1.00 1.55 C ATOM 1345 CG1 ILE A 80 9.335 2.309 -4.823 1.00 1.14 C ATOM 1346 CG2 ILE A 80 7.175 0.970 -4.536 1.00 50.40 C ATOM 1347 CD1 ILE A 80 9.764 1.855 -6.209 1.00 43.23 C ATOM 0 H ILE A 80 8.216 4.820 -4.741 1.00 63.03 H new ATOM 0 HA ILE A 80 7.414 2.958 -6.683 1.00 63.25 H new ATOM 0 HB ILE A 80 7.587 2.848 -3.639 1.00 1.55 H new ATOM 0 HG12 ILE A 80 9.762 3.293 -4.631 1.00 1.14 H new ATOM 0 HG13 ILE A 80 9.760 1.628 -4.086 1.00 1.14 H new ATOM 0 HG21 ILE A 80 7.685 0.388 -3.768 1.00 50.40 H new ATOM 0 HG22 ILE A 80 6.116 1.045 -4.291 1.00 50.40 H new ATOM 0 HG23 ILE A 80 7.290 0.476 -5.501 1.00 50.40 H new ATOM 0 HD11 ILE A 80 10.852 1.835 -6.265 1.00 43.23 H new ATOM 0 HD12 ILE A 80 9.372 0.856 -6.402 1.00 43.23 H new ATOM 0 HD13 ILE A 80 9.375 2.548 -6.955 1.00 43.23 H new ATOM 1359 N LEU A 81 5.011 3.771 -4.539 1.00 0.30 N ATOM 1360 CA LEU A 81 3.559 3.771 -4.279 1.00 62.14 C ATOM 1361 C LEU A 81 2.791 4.686 -5.252 1.00 51.43 C ATOM 1362 O LEU A 81 1.657 4.376 -5.615 1.00 13.42 O ATOM 1363 CB LEU A 81 3.281 4.197 -2.813 1.00 2.11 C ATOM 1364 CG LEU A 81 3.555 3.118 -1.723 1.00 25.14 C ATOM 1365 CD1 LEU A 81 3.324 3.696 -0.320 1.00 61.13 C ATOM 1366 CD2 LEU A 81 2.700 1.855 -1.947 1.00 51.03 C ATOM 0 H LEU A 81 5.553 4.229 -3.807 1.00 0.30 H new ATOM 0 HA LEU A 81 3.200 2.754 -4.439 1.00 62.14 H new ATOM 0 HB2 LEU A 81 3.889 5.073 -2.589 1.00 2.11 H new ATOM 0 HB3 LEU A 81 2.238 4.505 -2.737 1.00 2.11 H new ATOM 0 HG LEU A 81 4.601 2.821 -1.805 1.00 25.14 H new ATOM 0 HD11 LEU A 81 3.520 2.927 0.427 1.00 61.13 H new ATOM 0 HD12 LEU A 81 3.996 4.539 -0.159 1.00 61.13 H new ATOM 0 HD13 LEU A 81 2.291 4.033 -0.231 1.00 61.13 H new ATOM 0 HD21 LEU A 81 2.918 1.125 -1.168 1.00 51.03 H new ATOM 0 HD22 LEU A 81 1.643 2.120 -1.911 1.00 51.03 H new ATOM 0 HD23 LEU A 81 2.933 1.426 -2.922 1.00 51.03 H new ATOM 1378 N ASN A 82 3.429 5.797 -5.670 1.00 63.51 N ATOM 1379 CA ASN A 82 2.816 6.795 -6.584 1.00 45.44 C ATOM 1380 C ASN A 82 2.422 6.132 -7.915 1.00 24.20 C ATOM 1381 O ASN A 82 1.374 6.433 -8.498 1.00 43.43 O ATOM 1382 CB ASN A 82 3.808 7.961 -6.846 1.00 64.43 C ATOM 1383 CG ASN A 82 3.207 9.123 -7.642 1.00 65.24 C ATOM 1384 OD1 ASN A 82 2.020 9.427 -7.527 1.00 61.41 O ATOM 1385 ND2 ASN A 82 4.016 9.783 -8.459 1.00 41.44 N ATOM 0 H ASN A 82 4.381 6.032 -5.388 1.00 63.51 H new ATOM 0 HA ASN A 82 1.918 7.193 -6.111 1.00 45.44 H new ATOM 0 HB2 ASN A 82 4.170 8.338 -5.890 1.00 64.43 H new ATOM 0 HB3 ASN A 82 4.673 7.574 -7.384 1.00 64.43 H new ATOM 0 HD21 ASN A 82 3.658 10.563 -9.011 1.00 41.44 H new ATOM 0 HD22 ASN A 82 4.996 9.511 -8.536 1.00 41.44 H new ATOM 1392 N LYS A 83 3.290 5.213 -8.358 1.00 23.01 N ATOM 1393 CA LYS A 83 3.077 4.392 -9.554 1.00 53.14 C ATOM 1394 C LYS A 83 1.972 3.336 -9.334 1.00 1.35 C ATOM 1395 O LYS A 83 1.070 3.206 -10.164 1.00 75.45 O ATOM 1396 CB LYS A 83 4.412 3.711 -9.949 1.00 54.14 C ATOM 1397 CG LYS A 83 5.487 4.673 -10.516 1.00 10.44 C ATOM 1398 CD LYS A 83 5.066 5.300 -11.865 1.00 32.03 C ATOM 1399 CE LYS A 83 6.160 6.179 -12.496 1.00 34.40 C ATOM 1400 NZ LYS A 83 6.468 7.381 -11.684 1.00 25.41 N ATOM 0 H LYS A 83 4.173 5.017 -7.887 1.00 23.01 H new ATOM 0 HA LYS A 83 2.742 5.040 -10.364 1.00 53.14 H new ATOM 0 HB2 LYS A 83 4.820 3.207 -9.073 1.00 54.14 H new ATOM 0 HB3 LYS A 83 4.205 2.941 -10.692 1.00 54.14 H new ATOM 0 HG2 LYS A 83 5.677 5.467 -9.794 1.00 10.44 H new ATOM 0 HG3 LYS A 83 6.423 4.130 -10.647 1.00 10.44 H new ATOM 0 HD2 LYS A 83 4.803 4.504 -12.561 1.00 32.03 H new ATOM 0 HD3 LYS A 83 4.169 5.901 -11.714 1.00 32.03 H new ATOM 0 HE2 LYS A 83 7.067 5.588 -12.622 1.00 34.40 H new ATOM 0 HE3 LYS A 83 5.842 6.490 -13.491 1.00 34.40 H new ATOM 0 HZ1 LYS A 83 7.210 7.937 -12.154 1.00 25.41 H new ATOM 0 HZ2 LYS A 83 5.611 7.962 -11.585 1.00 25.41 H new ATOM 0 HZ3 LYS A 83 6.799 7.088 -10.742 1.00 25.41 H new ATOM 1414 N VAL A 84 2.033 2.636 -8.181 1.00 11.33 N ATOM 1415 CA VAL A 84 1.140 1.497 -7.855 1.00 75.23 C ATOM 1416 C VAL A 84 -0.330 1.955 -7.791 1.00 23.00 C ATOM 1417 O VAL A 84 -1.191 1.413 -8.494 1.00 24.31 O ATOM 1418 CB VAL A 84 1.576 0.834 -6.485 1.00 24.30 C ATOM 1419 CG1 VAL A 84 0.536 -0.184 -5.954 1.00 4.04 C ATOM 1420 CG2 VAL A 84 2.967 0.179 -6.624 1.00 14.12 C ATOM 0 H VAL A 84 2.707 2.844 -7.444 1.00 11.33 H new ATOM 0 HA VAL A 84 1.228 0.753 -8.646 1.00 75.23 H new ATOM 0 HB VAL A 84 1.631 1.633 -5.746 1.00 24.30 H new ATOM 0 HG11 VAL A 84 0.888 -0.606 -5.013 1.00 4.04 H new ATOM 0 HG12 VAL A 84 -0.417 0.320 -5.792 1.00 4.04 H new ATOM 0 HG13 VAL A 84 0.404 -0.983 -6.683 1.00 4.04 H new ATOM 0 HG21 VAL A 84 3.253 -0.273 -5.674 1.00 14.12 H new ATOM 0 HG22 VAL A 84 2.931 -0.590 -7.395 1.00 14.12 H new ATOM 0 HG23 VAL A 84 3.700 0.937 -6.901 1.00 14.12 H new ATOM 1430 N PHE A 85 -0.569 2.981 -6.960 1.00 20.34 N ATOM 1431 CA PHE A 85 -1.902 3.570 -6.741 1.00 41.14 C ATOM 1432 C PHE A 85 -2.510 4.119 -8.046 1.00 31.51 C ATOM 1433 O PHE A 85 -3.714 3.967 -8.286 1.00 61.10 O ATOM 1434 CB PHE A 85 -1.815 4.673 -5.649 1.00 41.13 C ATOM 1435 CG PHE A 85 -1.433 4.146 -4.259 1.00 34.10 C ATOM 1436 CD1 PHE A 85 -1.975 2.953 -3.766 1.00 54.54 C ATOM 1437 CD2 PHE A 85 -0.545 4.845 -3.443 1.00 41.40 C ATOM 1438 CE1 PHE A 85 -1.634 2.484 -2.512 1.00 15.03 C ATOM 1439 CE2 PHE A 85 -0.206 4.372 -2.191 1.00 1.20 C ATOM 1440 CZ PHE A 85 -0.750 3.191 -1.727 1.00 53.43 C ATOM 0 H PHE A 85 0.166 3.431 -6.414 1.00 20.34 H new ATOM 0 HA PHE A 85 -2.571 2.782 -6.394 1.00 41.14 H new ATOM 0 HB2 PHE A 85 -1.082 5.419 -5.958 1.00 41.13 H new ATOM 0 HB3 PHE A 85 -2.777 5.180 -5.582 1.00 41.13 H new ATOM 0 HD1 PHE A 85 -2.669 2.392 -4.374 1.00 54.54 H new ATOM 0 HD2 PHE A 85 -0.115 5.771 -3.796 1.00 41.40 H new ATOM 0 HE1 PHE A 85 -2.061 1.562 -2.147 1.00 15.03 H new ATOM 0 HE2 PHE A 85 0.486 4.926 -1.574 1.00 1.20 H new ATOM 0 HZ PHE A 85 -0.482 2.821 -0.748 1.00 53.43 H new ATOM 1450 N ALA A 86 -1.649 4.701 -8.902 1.00 60.44 N ATOM 1451 CA ALA A 86 -2.059 5.271 -10.206 1.00 3.32 C ATOM 1452 C ALA A 86 -2.543 4.179 -11.190 1.00 1.03 C ATOM 1453 O ALA A 86 -3.357 4.452 -12.083 1.00 74.30 O ATOM 1454 CB ALA A 86 -0.901 6.070 -10.810 1.00 23.40 C ATOM 0 H ALA A 86 -0.651 4.791 -8.713 1.00 60.44 H new ATOM 0 HA ALA A 86 -2.903 5.938 -10.030 1.00 3.32 H new ATOM 0 HB1 ALA A 86 -1.208 6.487 -11.769 1.00 23.40 H new ATOM 0 HB2 ALA A 86 -0.626 6.879 -10.134 1.00 23.40 H new ATOM 0 HB3 ALA A 86 -0.044 5.413 -10.958 1.00 23.40 H new ATOM 1460 N GLU A 87 -2.040 2.948 -11.007 1.00 22.31 N ATOM 1461 CA GLU A 87 -2.423 1.770 -11.813 1.00 1.21 C ATOM 1462 C GLU A 87 -3.690 1.100 -11.233 1.00 3.52 C ATOM 1463 O GLU A 87 -4.306 0.254 -11.887 1.00 11.20 O ATOM 1464 CB GLU A 87 -1.243 0.759 -11.845 1.00 72.33 C ATOM 1465 CG GLU A 87 0.028 1.276 -12.552 1.00 22.42 C ATOM 1466 CD GLU A 87 1.242 0.341 -12.374 1.00 1.45 C ATOM 1467 OE1 GLU A 87 1.927 0.428 -11.334 1.00 14.34 O ATOM 1468 OE2 GLU A 87 1.506 -0.501 -13.265 1.00 13.52 O ATOM 0 H GLU A 87 -1.348 2.737 -10.288 1.00 22.31 H new ATOM 0 HA GLU A 87 -2.648 2.094 -12.829 1.00 1.21 H new ATOM 0 HB2 GLU A 87 -0.988 0.486 -10.821 1.00 72.33 H new ATOM 0 HB3 GLU A 87 -1.575 -0.151 -12.344 1.00 72.33 H new ATOM 0 HG2 GLU A 87 -0.178 1.395 -13.616 1.00 22.42 H new ATOM 0 HG3 GLU A 87 0.277 2.263 -12.163 1.00 22.42 H new ATOM 1475 N LEU A 88 -4.075 1.489 -10.001 1.00 64.32 N ATOM 1476 CA LEU A 88 -5.201 0.868 -9.257 1.00 74.33 C ATOM 1477 C LEU A 88 -6.434 1.799 -9.202 1.00 21.24 C ATOM 1478 O LEU A 88 -7.464 1.430 -8.628 1.00 63.30 O ATOM 1479 CB LEU A 88 -4.740 0.460 -7.826 1.00 3.34 C ATOM 1480 CG LEU A 88 -3.578 -0.584 -7.748 1.00 4.25 C ATOM 1481 CD1 LEU A 88 -3.204 -0.890 -6.286 1.00 0.51 C ATOM 1482 CD2 LEU A 88 -3.911 -1.880 -8.522 1.00 2.14 C ATOM 0 H LEU A 88 -3.617 2.243 -9.489 1.00 64.32 H new ATOM 0 HA LEU A 88 -5.505 -0.030 -9.794 1.00 74.33 H new ATOM 0 HB2 LEU A 88 -4.428 1.360 -7.296 1.00 3.34 H new ATOM 0 HB3 LEU A 88 -5.600 0.057 -7.291 1.00 3.34 H new ATOM 0 HG LEU A 88 -2.710 -0.136 -8.232 1.00 4.25 H new ATOM 0 HD11 LEU A 88 -2.394 -1.619 -6.263 1.00 0.51 H new ATOM 0 HD12 LEU A 88 -2.881 0.027 -5.793 1.00 0.51 H new ATOM 0 HD13 LEU A 88 -4.072 -1.296 -5.766 1.00 0.51 H new ATOM 0 HD21 LEU A 88 -3.077 -2.577 -8.441 1.00 2.14 H new ATOM 0 HD22 LEU A 88 -4.807 -2.336 -8.100 1.00 2.14 H new ATOM 0 HD23 LEU A 88 -4.085 -1.643 -9.572 1.00 2.14 H new ATOM 1494 N GLY A 89 -6.333 2.991 -9.817 1.00 71.24 N ATOM 1495 CA GLY A 89 -7.457 3.936 -9.907 1.00 52.40 C ATOM 1496 C GLY A 89 -7.367 5.108 -8.941 1.00 24.42 C ATOM 1497 O GLY A 89 -8.190 6.029 -9.012 1.00 70.14 O ATOM 0 H GLY A 89 -5.477 3.323 -10.262 1.00 71.24 H new ATOM 0 HA2 GLY A 89 -7.511 4.322 -10.925 1.00 52.40 H new ATOM 0 HA3 GLY A 89 -8.386 3.397 -9.721 1.00 52.40 H new ATOM 1501 N TYR A 90 -6.380 5.071 -8.037 1.00 3.03 N ATOM 1502 CA TYR A 90 -6.137 6.140 -7.058 1.00 1.10 C ATOM 1503 C TYR A 90 -5.275 7.256 -7.694 1.00 20.31 C ATOM 1504 O TYR A 90 -4.243 6.976 -8.309 1.00 30.10 O ATOM 1505 CB TYR A 90 -5.429 5.569 -5.806 1.00 51.22 C ATOM 1506 CG TYR A 90 -6.181 4.440 -5.084 1.00 53.14 C ATOM 1507 CD1 TYR A 90 -7.459 4.649 -4.561 1.00 3.13 C ATOM 1508 CD2 TYR A 90 -5.606 3.174 -4.907 1.00 22.21 C ATOM 1509 CE1 TYR A 90 -8.135 3.642 -3.895 1.00 12.40 C ATOM 1510 CE2 TYR A 90 -6.276 2.168 -4.237 1.00 65.22 C ATOM 1511 CZ TYR A 90 -7.539 2.406 -3.733 1.00 3.33 C ATOM 1512 OH TYR A 90 -8.207 1.408 -3.057 1.00 20.32 O ATOM 0 H TYR A 90 -5.723 4.294 -7.963 1.00 3.03 H new ATOM 0 HA TYR A 90 -7.095 6.563 -6.756 1.00 1.10 H new ATOM 0 HB2 TYR A 90 -4.447 5.198 -6.101 1.00 51.22 H new ATOM 0 HB3 TYR A 90 -5.263 6.383 -5.100 1.00 51.22 H new ATOM 0 HD1 TYR A 90 -7.928 5.615 -4.679 1.00 3.13 H new ATOM 0 HD2 TYR A 90 -4.620 2.981 -5.302 1.00 22.21 H new ATOM 0 HE1 TYR A 90 -9.125 3.822 -3.503 1.00 12.40 H new ATOM 0 HE2 TYR A 90 -5.814 1.200 -4.108 1.00 65.22 H new ATOM 0 HH TYR A 90 -8.228 0.597 -3.607 1.00 20.32 H new ATOM 1522 N ASN A 91 -5.713 8.511 -7.520 1.00 51.05 N ATOM 1523 CA ASN A 91 -5.063 9.715 -8.093 1.00 1.42 C ATOM 1524 C ASN A 91 -4.548 10.623 -6.958 1.00 14.32 C ATOM 1525 O ASN A 91 -4.456 10.171 -5.806 1.00 54.21 O ATOM 1526 CB ASN A 91 -6.078 10.465 -9.003 1.00 42.32 C ATOM 1527 CG ASN A 91 -6.582 9.611 -10.172 1.00 12.41 C ATOM 1528 OD1 ASN A 91 -7.572 8.893 -10.051 1.00 53.35 O ATOM 1529 ND2 ASN A 91 -5.901 9.661 -11.308 1.00 61.22 N ATOM 0 H ASN A 91 -6.543 8.730 -6.969 1.00 51.05 H new ATOM 0 HA ASN A 91 -4.207 9.422 -8.701 1.00 1.42 H new ATOM 0 HB2 ASN A 91 -6.929 10.785 -8.401 1.00 42.32 H new ATOM 0 HB3 ASN A 91 -5.608 11.367 -9.396 1.00 42.32 H new ATOM 0 HD21 ASN A 91 -6.196 9.096 -12.105 1.00 61.22 H new ATOM 0 HD22 ASN A 91 -5.082 10.264 -11.386 1.00 61.22 H new ATOM 1536 N ASP A 92 -4.190 11.898 -7.297 1.00 32.21 N ATOM 1537 CA ASP A 92 -3.657 12.901 -6.329 1.00 14.34 C ATOM 1538 C ASP A 92 -4.541 13.030 -5.077 1.00 60.35 C ATOM 1539 O ASP A 92 -4.051 12.900 -3.952 1.00 72.51 O ATOM 1540 CB ASP A 92 -3.514 14.309 -6.990 1.00 11.42 C ATOM 1541 CG ASP A 92 -2.528 14.339 -8.169 1.00 42.41 C ATOM 1542 OD1 ASP A 92 -1.305 14.476 -7.936 1.00 3.22 O ATOM 1543 OD2 ASP A 92 -2.966 14.230 -9.335 1.00 11.05 O ATOM 0 H ASP A 92 -4.264 12.257 -8.249 1.00 32.21 H new ATOM 0 HA ASP A 92 -2.675 12.535 -6.028 1.00 14.34 H new ATOM 0 HB2 ASP A 92 -4.493 14.639 -7.338 1.00 11.42 H new ATOM 0 HB3 ASP A 92 -3.186 15.024 -6.235 1.00 11.42 H new ATOM 1548 N SER A 93 -5.856 13.230 -5.308 1.00 10.53 N ATOM 1549 CA SER A 93 -6.865 13.453 -4.244 1.00 22.55 C ATOM 1550 C SER A 93 -7.016 12.241 -3.297 1.00 1.33 C ATOM 1551 O SER A 93 -7.551 12.366 -2.191 1.00 2.24 O ATOM 1552 CB SER A 93 -8.229 13.780 -4.893 1.00 43.13 C ATOM 1553 OG SER A 93 -8.121 14.867 -5.796 1.00 74.23 O ATOM 0 H SER A 93 -6.254 13.242 -6.247 1.00 10.53 H new ATOM 0 HA SER A 93 -6.518 14.289 -3.637 1.00 22.55 H new ATOM 0 HB2 SER A 93 -8.603 12.902 -5.420 1.00 43.13 H new ATOM 0 HB3 SER A 93 -8.956 14.020 -4.117 1.00 43.13 H new ATOM 0 HG SER A 93 -8.998 15.051 -6.193 1.00 74.23 H new ATOM 1559 N ASN A 94 -6.535 11.069 -3.745 1.00 34.12 N ATOM 1560 CA ASN A 94 -6.672 9.805 -3.014 1.00 65.11 C ATOM 1561 C ASN A 94 -5.436 9.539 -2.150 1.00 4.31 C ATOM 1562 O ASN A 94 -5.567 9.077 -1.021 1.00 51.21 O ATOM 1563 CB ASN A 94 -6.923 8.643 -4.019 1.00 72.34 C ATOM 1564 CG ASN A 94 -8.237 8.794 -4.813 1.00 71.20 C ATOM 1565 OD1 ASN A 94 -8.308 8.454 -5.995 1.00 72.21 O ATOM 1566 ND2 ASN A 94 -9.300 9.262 -4.170 1.00 70.00 N ATOM 0 H ASN A 94 -6.038 10.975 -4.631 1.00 34.12 H new ATOM 0 HA ASN A 94 -7.528 9.872 -2.343 1.00 65.11 H new ATOM 0 HB2 ASN A 94 -6.088 8.590 -4.718 1.00 72.34 H new ATOM 0 HB3 ASN A 94 -6.942 7.699 -3.474 1.00 72.34 H new ATOM 0 HD21 ASN A 94 -10.194 9.345 -4.655 1.00 70.00 H new ATOM 0 HD22 ASN A 94 -9.223 9.539 -3.191 1.00 70.00 H new ATOM 1573 N VAL A 95 -4.233 9.860 -2.667 1.00 14.44 N ATOM 1574 CA VAL A 95 -2.960 9.576 -1.967 1.00 74.22 C ATOM 1575 C VAL A 95 -2.576 10.769 -1.066 1.00 44.01 C ATOM 1576 O VAL A 95 -2.542 11.906 -1.539 1.00 13.21 O ATOM 1577 CB VAL A 95 -1.793 9.291 -2.989 1.00 2.53 C ATOM 1578 CG1 VAL A 95 -0.490 8.888 -2.258 1.00 5.51 C ATOM 1579 CG2 VAL A 95 -2.207 8.223 -4.031 1.00 24.44 C ATOM 0 H VAL A 95 -4.114 10.318 -3.571 1.00 14.44 H new ATOM 0 HA VAL A 95 -3.106 8.685 -1.357 1.00 74.22 H new ATOM 0 HB VAL A 95 -1.594 10.217 -3.528 1.00 2.53 H new ATOM 0 HG11 VAL A 95 0.294 8.698 -2.991 1.00 5.51 H new ATOM 0 HG12 VAL A 95 -0.180 9.696 -1.595 1.00 5.51 H new ATOM 0 HG13 VAL A 95 -0.665 7.985 -1.673 1.00 5.51 H new ATOM 0 HG21 VAL A 95 -1.381 8.049 -4.721 1.00 24.44 H new ATOM 0 HG22 VAL A 95 -2.455 7.293 -3.520 1.00 24.44 H new ATOM 0 HG23 VAL A 95 -3.076 8.575 -4.587 1.00 24.44 H new ATOM 1589 N THR A 96 -2.308 10.503 0.227 1.00 75.20 N ATOM 1590 CA THR A 96 -1.904 11.536 1.200 1.00 2.53 C ATOM 1591 C THR A 96 -0.903 10.937 2.218 1.00 54.11 C ATOM 1592 O THR A 96 -1.265 10.046 2.991 1.00 42.41 O ATOM 1593 CB THR A 96 -3.152 12.118 1.967 1.00 24.31 C ATOM 1594 OG1 THR A 96 -4.163 12.545 1.030 1.00 1.35 O ATOM 1595 CG2 THR A 96 -2.772 13.299 2.883 1.00 52.22 C ATOM 0 H THR A 96 -2.366 9.566 0.626 1.00 75.20 H new ATOM 0 HA THR A 96 -1.429 12.349 0.651 1.00 2.53 H new ATOM 0 HB THR A 96 -3.543 11.317 2.594 1.00 24.31 H new ATOM 0 HG1 THR A 96 -4.933 12.903 1.520 1.00 1.35 H new ATOM 0 HG21 THR A 96 -3.664 13.667 3.391 1.00 52.22 H new ATOM 0 HG22 THR A 96 -2.044 12.966 3.623 1.00 52.22 H new ATOM 0 HG23 THR A 96 -2.339 14.100 2.283 1.00 52.22 H new ATOM 1603 N TRP A 97 0.357 11.408 2.198 1.00 72.22 N ATOM 1604 CA TRP A 97 1.376 11.013 3.196 1.00 40.20 C ATOM 1605 C TRP A 97 1.217 11.847 4.488 1.00 24.31 C ATOM 1606 O TRP A 97 0.913 13.046 4.438 1.00 42.22 O ATOM 1607 CB TRP A 97 2.811 11.166 2.616 1.00 20.50 C ATOM 1608 CG TRP A 97 3.196 10.074 1.634 1.00 51.21 C ATOM 1609 CD1 TRP A 97 2.906 10.011 0.297 1.00 20.32 C ATOM 1610 CD2 TRP A 97 3.945 8.878 1.934 1.00 64.02 C ATOM 1611 NE1 TRP A 97 3.422 8.857 -0.243 1.00 65.34 N ATOM 1612 CE2 TRP A 97 4.068 8.150 0.741 1.00 31.24 C ATOM 1613 CE3 TRP A 97 4.521 8.357 3.101 1.00 73.44 C ATOM 1614 CZ2 TRP A 97 4.743 6.931 0.678 1.00 33.20 C ATOM 1615 CZ3 TRP A 97 5.194 7.149 3.039 1.00 63.31 C ATOM 1616 CH2 TRP A 97 5.300 6.448 1.833 1.00 55.13 C ATOM 0 H TRP A 97 0.698 12.067 1.498 1.00 72.22 H new ATOM 0 HA TRP A 97 1.224 9.962 3.442 1.00 40.20 H new ATOM 0 HB2 TRP A 97 2.890 12.133 2.119 1.00 20.50 H new ATOM 0 HB3 TRP A 97 3.526 11.171 3.438 1.00 20.50 H new ATOM 0 HD1 TRP A 97 2.353 10.758 -0.253 1.00 20.32 H new ATOM 0 HE1 TRP A 97 3.338 8.572 -1.219 1.00 65.34 H new ATOM 0 HE3 TRP A 97 4.441 8.891 4.036 1.00 73.44 H new ATOM 0 HZ2 TRP A 97 4.824 6.386 -0.251 1.00 33.20 H new ATOM 0 HZ3 TRP A 97 5.643 6.742 3.933 1.00 63.31 H new ATOM 0 HH2 TRP A 97 5.831 5.508 1.812 1.00 55.13 H new ATOM 1627 N ASP A 98 1.435 11.185 5.633 1.00 55.03 N ATOM 1628 CA ASP A 98 1.277 11.770 6.972 1.00 22.22 C ATOM 1629 C ASP A 98 2.360 11.187 7.904 1.00 13.41 C ATOM 1630 O ASP A 98 2.200 10.086 8.450 1.00 61.43 O ATOM 1631 CB ASP A 98 -0.156 11.479 7.508 1.00 73.31 C ATOM 1632 CG ASP A 98 -0.418 12.059 8.915 1.00 10.43 C ATOM 1633 OD1 ASP A 98 -0.644 13.284 9.028 1.00 63.44 O ATOM 1634 OD2 ASP A 98 -0.412 11.297 9.910 1.00 11.42 O ATOM 0 H ASP A 98 1.732 10.209 5.655 1.00 55.03 H new ATOM 0 HA ASP A 98 1.402 12.852 6.930 1.00 22.22 H new ATOM 0 HB2 ASP A 98 -0.886 11.892 6.812 1.00 73.31 H new ATOM 0 HB3 ASP A 98 -0.314 10.401 7.533 1.00 73.31 H new ATOM 1639 N GLY A 99 3.482 11.924 8.023 1.00 31.44 N ATOM 1640 CA GLY A 99 4.618 11.538 8.861 1.00 74.32 C ATOM 1641 C GLY A 99 5.357 10.298 8.360 1.00 3.41 C ATOM 1642 O GLY A 99 6.255 10.394 7.513 1.00 60.22 O ATOM 0 H GLY A 99 3.619 12.809 7.534 1.00 31.44 H new ATOM 0 HA2 GLY A 99 5.319 12.371 8.914 1.00 74.32 H new ATOM 0 HA3 GLY A 99 4.264 11.354 9.875 1.00 74.32 H new ATOM 1646 N ASP A 100 4.952 9.133 8.879 1.00 72.51 N ATOM 1647 CA ASP A 100 5.595 7.828 8.605 1.00 55.01 C ATOM 1648 C ASP A 100 4.622 6.897 7.836 1.00 41.14 C ATOM 1649 O ASP A 100 5.043 5.938 7.174 1.00 41.14 O ATOM 1650 CB ASP A 100 6.025 7.199 9.962 1.00 0.24 C ATOM 1651 CG ASP A 100 6.936 5.972 9.810 1.00 24.51 C ATOM 1652 OD1 ASP A 100 8.172 6.135 9.772 1.00 24.34 O ATOM 1653 OD2 ASP A 100 6.428 4.839 9.727 1.00 1.42 O ATOM 0 H ASP A 100 4.156 9.062 9.512 1.00 72.51 H new ATOM 0 HA ASP A 100 6.475 7.966 7.976 1.00 55.01 H new ATOM 0 HB2 ASP A 100 6.542 7.954 10.555 1.00 0.24 H new ATOM 0 HB3 ASP A 100 5.133 6.912 10.519 1.00 0.24 H new ATOM 1658 N THR A 101 3.322 7.226 7.914 1.00 5.24 N ATOM 1659 CA THR A 101 2.217 6.457 7.311 1.00 44.12 C ATOM 1660 C THR A 101 1.765 7.107 5.984 1.00 52.32 C ATOM 1661 O THR A 101 1.877 8.317 5.816 1.00 11.25 O ATOM 1662 CB THR A 101 1.016 6.404 8.323 1.00 72.45 C ATOM 1663 OG1 THR A 101 1.433 5.719 9.516 1.00 3.23 O ATOM 1664 CG2 THR A 101 -0.242 5.716 7.754 1.00 5.52 C ATOM 0 H THR A 101 3.000 8.056 8.411 1.00 5.24 H new ATOM 0 HA THR A 101 2.560 5.445 7.095 1.00 44.12 H new ATOM 0 HB THR A 101 0.739 7.436 8.536 1.00 72.45 H new ATOM 0 HG1 THR A 101 1.060 6.173 10.301 1.00 3.23 H new ATOM 0 HG21 THR A 101 -1.029 5.716 8.508 1.00 5.52 H new ATOM 0 HG22 THR A 101 -0.584 6.256 6.871 1.00 5.52 H new ATOM 0 HG23 THR A 101 -0.002 4.689 7.480 1.00 5.52 H new ATOM 1672 N VAL A 102 1.274 6.283 5.042 1.00 42.14 N ATOM 1673 CA VAL A 102 0.602 6.755 3.812 1.00 33.34 C ATOM 1674 C VAL A 102 -0.902 6.389 3.901 1.00 13.55 C ATOM 1675 O VAL A 102 -1.272 5.210 3.950 1.00 14.05 O ATOM 1676 CB VAL A 102 1.275 6.157 2.513 1.00 75.20 C ATOM 1677 CG1 VAL A 102 1.407 4.622 2.586 1.00 2.14 C ATOM 1678 CG2 VAL A 102 0.535 6.606 1.223 1.00 61.55 C ATOM 0 H VAL A 102 1.331 5.267 5.110 1.00 42.14 H new ATOM 0 HA VAL A 102 0.706 7.837 3.734 1.00 33.34 H new ATOM 0 HB VAL A 102 2.286 6.563 2.465 1.00 75.20 H new ATOM 0 HG11 VAL A 102 1.874 4.253 1.673 1.00 2.14 H new ATOM 0 HG12 VAL A 102 2.022 4.350 3.444 1.00 2.14 H new ATOM 0 HG13 VAL A 102 0.418 4.176 2.693 1.00 2.14 H new ATOM 0 HG21 VAL A 102 1.028 6.174 0.352 1.00 61.55 H new ATOM 0 HG22 VAL A 102 -0.500 6.266 1.260 1.00 61.55 H new ATOM 0 HG23 VAL A 102 0.557 7.693 1.151 1.00 61.55 H new ATOM 1688 N THR A 103 -1.756 7.411 3.992 1.00 14.42 N ATOM 1689 CA THR A 103 -3.212 7.244 4.057 1.00 0.21 C ATOM 1690 C THR A 103 -3.810 7.519 2.664 1.00 14.24 C ATOM 1691 O THR A 103 -3.753 8.649 2.169 1.00 34.13 O ATOM 1692 CB THR A 103 -3.846 8.203 5.125 1.00 14.12 C ATOM 1693 OG1 THR A 103 -3.209 7.994 6.402 1.00 54.45 O ATOM 1694 CG2 THR A 103 -5.368 7.987 5.267 1.00 5.12 C ATOM 0 H THR A 103 -1.456 8.385 4.023 1.00 14.42 H new ATOM 0 HA THR A 103 -3.439 6.222 4.360 1.00 0.21 H new ATOM 0 HB THR A 103 -3.686 9.226 4.786 1.00 14.12 H new ATOM 0 HG1 THR A 103 -3.605 8.595 7.067 1.00 54.45 H new ATOM 0 HG21 THR A 103 -5.764 8.672 6.017 1.00 5.12 H new ATOM 0 HG22 THR A 103 -5.853 8.177 4.310 1.00 5.12 H new ATOM 0 HG23 THR A 103 -5.563 6.960 5.575 1.00 5.12 H new ATOM 1702 N VAL A 104 -4.328 6.462 2.016 1.00 45.43 N ATOM 1703 CA VAL A 104 -4.983 6.565 0.708 1.00 34.41 C ATOM 1704 C VAL A 104 -6.488 6.312 0.873 1.00 55.12 C ATOM 1705 O VAL A 104 -6.905 5.184 1.140 1.00 54.41 O ATOM 1706 CB VAL A 104 -4.348 5.551 -0.319 1.00 35.44 C ATOM 1707 CG1 VAL A 104 -5.059 5.597 -1.691 1.00 42.03 C ATOM 1708 CG2 VAL A 104 -2.841 5.835 -0.471 1.00 21.24 C ATOM 0 H VAL A 104 -4.303 5.512 2.388 1.00 45.43 H new ATOM 0 HA VAL A 104 -4.833 7.569 0.310 1.00 34.41 H new ATOM 0 HB VAL A 104 -4.483 4.544 0.074 1.00 35.44 H new ATOM 0 HG11 VAL A 104 -4.590 4.883 -2.368 1.00 42.03 H new ATOM 0 HG12 VAL A 104 -6.111 5.340 -1.565 1.00 42.03 H new ATOM 0 HG13 VAL A 104 -4.978 6.600 -2.109 1.00 42.03 H new ATOM 0 HG21 VAL A 104 -2.408 5.131 -1.182 1.00 21.24 H new ATOM 0 HG22 VAL A 104 -2.697 6.852 -0.835 1.00 21.24 H new ATOM 0 HG23 VAL A 104 -2.350 5.722 0.496 1.00 21.24 H new ATOM 1718 N GLU A 105 -7.297 7.369 0.706 1.00 70.13 N ATOM 1719 CA GLU A 105 -8.762 7.276 0.769 1.00 64.12 C ATOM 1720 C GLU A 105 -9.300 7.504 -0.652 1.00 73.43 C ATOM 1721 O GLU A 105 -9.189 8.613 -1.188 1.00 11.12 O ATOM 1722 CB GLU A 105 -9.327 8.333 1.763 1.00 62.42 C ATOM 1723 CG GLU A 105 -10.851 8.235 2.016 1.00 12.13 C ATOM 1724 CD GLU A 105 -11.409 9.377 2.889 1.00 54.23 C ATOM 1725 OE1 GLU A 105 -10.834 9.656 3.958 1.00 72.44 O ATOM 1726 OE2 GLU A 105 -12.415 10.012 2.511 1.00 0.43 O ATOM 0 H GLU A 105 -6.953 8.312 0.524 1.00 70.13 H new ATOM 0 HA GLU A 105 -9.074 6.297 1.131 1.00 64.12 H new ATOM 0 HB2 GLU A 105 -8.807 8.230 2.716 1.00 62.42 H new ATOM 0 HB3 GLU A 105 -9.099 9.328 1.382 1.00 62.42 H new ATOM 0 HG2 GLU A 105 -11.370 8.235 1.058 1.00 12.13 H new ATOM 0 HG3 GLU A 105 -11.070 7.282 2.497 1.00 12.13 H new ATOM 1733 N GLY A 106 -9.862 6.451 -1.266 1.00 31.54 N ATOM 1734 CA GLY A 106 -10.300 6.515 -2.662 1.00 21.20 C ATOM 1735 C GLY A 106 -11.347 5.475 -2.994 1.00 70.53 C ATOM 1736 O GLY A 106 -11.641 4.595 -2.188 1.00 43.31 O ATOM 0 H GLY A 106 -10.022 5.550 -0.816 1.00 31.54 H new ATOM 0 HA2 GLY A 106 -10.702 7.507 -2.867 1.00 21.20 H new ATOM 0 HA3 GLY A 106 -9.438 6.379 -3.315 1.00 21.20 H new ATOM 1740 N GLN A 107 -11.896 5.574 -4.207 1.00 50.14 N ATOM 1741 CA GLN A 107 -13.036 4.759 -4.654 1.00 72.31 C ATOM 1742 C GLN A 107 -12.590 3.401 -5.224 1.00 73.42 C ATOM 1743 O GLN A 107 -11.432 3.207 -5.627 1.00 22.32 O ATOM 1744 CB GLN A 107 -13.881 5.539 -5.713 1.00 4.33 C ATOM 1745 CG GLN A 107 -14.751 6.693 -5.151 1.00 62.31 C ATOM 1746 CD GLN A 107 -13.938 7.827 -4.513 1.00 2.50 C ATOM 1747 OE1 GLN A 107 -13.662 7.816 -3.320 1.00 5.13 O ATOM 1748 NE2 GLN A 107 -13.551 8.817 -5.295 1.00 4.45 N ATOM 0 H GLN A 107 -11.561 6.227 -4.915 1.00 50.14 H new ATOM 0 HA GLN A 107 -13.653 4.558 -3.778 1.00 72.31 H new ATOM 0 HB2 GLN A 107 -13.204 5.949 -6.463 1.00 4.33 H new ATOM 0 HB3 GLN A 107 -14.533 4.831 -6.225 1.00 4.33 H new ATOM 0 HG2 GLN A 107 -15.359 7.103 -5.957 1.00 62.31 H new ATOM 0 HG3 GLN A 107 -15.438 6.289 -4.408 1.00 62.31 H new ATOM 0 HE21 GLN A 107 -13.791 8.808 -6.286 1.00 4.45 H new ATOM 0 HE22 GLN A 107 -13.012 9.592 -4.908 1.00 4.45 H new ATOM 1757 N LEU A 108 -13.551 2.471 -5.217 1.00 40.31 N ATOM 1758 CA LEU A 108 -13.441 1.154 -5.846 1.00 23.34 C ATOM 1759 C LEU A 108 -13.560 1.349 -7.379 1.00 14.15 C ATOM 1760 O LEU A 108 -14.435 2.101 -7.834 1.00 64.30 O ATOM 1761 CB LEU A 108 -14.594 0.247 -5.296 1.00 50.43 C ATOM 1762 CG LEU A 108 -14.429 -1.311 -5.327 1.00 42.33 C ATOM 1763 CD1 LEU A 108 -15.690 -1.983 -4.757 1.00 42.21 C ATOM 1764 CD2 LEU A 108 -14.109 -1.870 -6.728 1.00 42.34 C ATOM 0 H LEU A 108 -14.451 2.620 -4.761 1.00 40.31 H new ATOM 0 HA LEU A 108 -12.488 0.675 -5.622 1.00 23.34 H new ATOM 0 HB2 LEU A 108 -14.772 0.536 -4.260 1.00 50.43 H new ATOM 0 HB3 LEU A 108 -15.497 0.491 -5.855 1.00 50.43 H new ATOM 0 HG LEU A 108 -13.566 -1.545 -4.704 1.00 42.33 H new ATOM 0 HD11 LEU A 108 -15.568 -3.066 -4.782 1.00 42.21 H new ATOM 0 HD12 LEU A 108 -15.842 -1.658 -3.728 1.00 42.21 H new ATOM 0 HD13 LEU A 108 -16.555 -1.702 -5.357 1.00 42.21 H new ATOM 0 HD21 LEU A 108 -14.009 -2.954 -6.673 1.00 42.34 H new ATOM 0 HD22 LEU A 108 -14.916 -1.615 -7.415 1.00 42.34 H new ATOM 0 HD23 LEU A 108 -13.176 -1.437 -7.088 1.00 42.34 H new ATOM 1776 N GLU A 109 -12.683 0.674 -8.150 1.00 12.43 N ATOM 1777 CA GLU A 109 -12.674 0.723 -9.629 1.00 23.21 C ATOM 1778 C GLU A 109 -14.059 0.365 -10.222 1.00 20.40 C ATOM 1779 O GLU A 109 -14.723 1.202 -10.855 1.00 33.42 O ATOM 1780 CB GLU A 109 -11.582 -0.245 -10.177 1.00 30.23 C ATOM 1781 CG GLU A 109 -11.412 -0.229 -11.715 1.00 13.01 C ATOM 1782 CD GLU A 109 -10.923 1.130 -12.250 1.00 2.11 C ATOM 1783 OE1 GLU A 109 -9.699 1.400 -12.191 1.00 73.44 O ATOM 1784 OE2 GLU A 109 -11.756 1.941 -12.703 1.00 14.34 O ATOM 0 H GLU A 109 -11.955 0.074 -7.762 1.00 12.43 H new ATOM 0 HA GLU A 109 -12.444 1.744 -9.934 1.00 23.21 H new ATOM 0 HB2 GLU A 109 -10.627 0.010 -9.718 1.00 30.23 H new ATOM 0 HB3 GLU A 109 -11.826 -1.260 -9.863 1.00 30.23 H new ATOM 0 HG2 GLU A 109 -10.703 -1.004 -12.005 1.00 13.01 H new ATOM 0 HG3 GLU A 109 -12.365 -0.477 -12.183 1.00 13.01 H new ATOM 1791 N GLY A 110 -14.488 -0.878 -9.970 1.00 30.10 N ATOM 1792 CA GLY A 110 -15.776 -1.380 -10.433 1.00 11.43 C ATOM 1793 C GLY A 110 -16.111 -2.714 -9.784 1.00 5.23 C ATOM 1794 O GLY A 110 -15.271 -3.627 -9.777 1.00 41.40 O ATOM 0 H GLY A 110 -13.947 -1.560 -9.438 1.00 30.10 H new ATOM 0 HA2 GLY A 110 -16.556 -0.654 -10.203 1.00 11.43 H new ATOM 0 HA3 GLY A 110 -15.757 -1.494 -11.517 1.00 11.43 H new ATOM 1798 N VAL A 111 -17.321 -2.810 -9.204 1.00 14.44 N ATOM 1799 CA VAL A 111 -17.837 -4.062 -8.635 1.00 12.33 C ATOM 1800 C VAL A 111 -18.123 -5.051 -9.780 1.00 21.14 C ATOM 1801 O VAL A 111 -19.086 -4.857 -10.546 1.00 51.00 O ATOM 1802 CB VAL A 111 -19.137 -3.821 -7.778 1.00 32.24 C ATOM 1803 CG1 VAL A 111 -19.697 -5.148 -7.205 1.00 60.13 C ATOM 1804 CG2 VAL A 111 -18.861 -2.797 -6.656 1.00 3.52 C ATOM 0 H VAL A 111 -17.964 -2.023 -9.118 1.00 14.44 H new ATOM 0 HA VAL A 111 -17.084 -4.476 -7.965 1.00 12.33 H new ATOM 0 HB VAL A 111 -19.902 -3.409 -8.436 1.00 32.24 H new ATOM 0 HG11 VAL A 111 -20.593 -4.942 -6.620 1.00 60.13 H new ATOM 0 HG12 VAL A 111 -19.946 -5.822 -8.025 1.00 60.13 H new ATOM 0 HG13 VAL A 111 -18.946 -5.614 -6.567 1.00 60.13 H new ATOM 0 HG21 VAL A 111 -19.769 -2.642 -6.073 1.00 3.52 H new ATOM 0 HG22 VAL A 111 -18.072 -3.174 -6.005 1.00 3.52 H new ATOM 0 HG23 VAL A 111 -18.546 -1.851 -7.096 1.00 3.52 H new ATOM 1814 N ASP A 112 -17.239 -6.064 -9.907 1.00 54.43 N ATOM 1815 CA ASP A 112 -17.286 -7.101 -10.949 1.00 61.50 C ATOM 1816 C ASP A 112 -16.991 -6.479 -12.328 1.00 35.53 C ATOM 1817 O ASP A 112 -17.902 -6.031 -13.038 1.00 3.41 O ATOM 1818 CB ASP A 112 -18.638 -7.888 -10.919 1.00 51.20 C ATOM 1819 CG ASP A 112 -18.758 -8.982 -11.998 1.00 74.33 C ATOM 1820 OD1 ASP A 112 -17.873 -9.857 -12.068 1.00 43.11 O ATOM 1821 OD2 ASP A 112 -19.739 -8.978 -12.778 1.00 61.42 O ATOM 0 H ASP A 112 -16.453 -6.182 -9.268 1.00 54.43 H new ATOM 0 HA ASP A 112 -16.508 -7.837 -10.746 1.00 61.50 H new ATOM 0 HB2 ASP A 112 -18.756 -8.347 -9.938 1.00 51.20 H new ATOM 0 HB3 ASP A 112 -19.459 -7.182 -11.041 1.00 51.20 H new ATOM 1826 N LEU A 113 -15.692 -6.403 -12.662 1.00 41.43 N ATOM 1827 CA LEU A 113 -15.206 -5.772 -13.899 1.00 21.53 C ATOM 1828 C LEU A 113 -15.592 -6.600 -15.140 1.00 41.10 C ATOM 1829 O LEU A 113 -15.398 -7.821 -15.172 1.00 73.12 O ATOM 1830 CB LEU A 113 -13.663 -5.560 -13.831 1.00 72.33 C ATOM 1831 CG LEU A 113 -13.170 -4.514 -12.776 1.00 71.22 C ATOM 1832 CD1 LEU A 113 -11.628 -4.476 -12.681 1.00 22.33 C ATOM 1833 CD2 LEU A 113 -13.745 -3.110 -13.085 1.00 31.03 C ATOM 0 H LEU A 113 -14.946 -6.780 -12.078 1.00 41.43 H new ATOM 0 HA LEU A 113 -15.686 -4.798 -13.992 1.00 21.53 H new ATOM 0 HB2 LEU A 113 -13.192 -6.519 -13.613 1.00 72.33 H new ATOM 0 HB3 LEU A 113 -13.313 -5.249 -14.815 1.00 72.33 H new ATOM 0 HG LEU A 113 -13.544 -4.830 -11.802 1.00 71.22 H new ATOM 0 HD11 LEU A 113 -11.327 -3.737 -11.938 1.00 22.33 H new ATOM 0 HD12 LEU A 113 -11.257 -5.458 -12.387 1.00 22.33 H new ATOM 0 HD13 LEU A 113 -11.210 -4.206 -13.651 1.00 22.33 H new ATOM 0 HD21 LEU A 113 -13.389 -2.399 -12.339 1.00 31.03 H new ATOM 0 HD22 LEU A 113 -13.417 -2.792 -14.075 1.00 31.03 H new ATOM 0 HD23 LEU A 113 -14.834 -3.149 -13.059 1.00 31.03 H new ATOM 1845 N GLU A 114 -16.185 -5.915 -16.129 1.00 13.53 N ATOM 1846 CA GLU A 114 -16.481 -6.473 -17.455 1.00 44.41 C ATOM 1847 C GLU A 114 -15.164 -6.781 -18.180 1.00 75.33 C ATOM 1848 O GLU A 114 -14.959 -7.888 -18.693 1.00 73.45 O ATOM 1849 CB GLU A 114 -17.325 -5.458 -18.271 1.00 35.22 C ATOM 1850 CG GLU A 114 -18.690 -5.125 -17.629 1.00 30.12 C ATOM 1851 CD GLU A 114 -19.419 -3.955 -18.314 1.00 45.23 C ATOM 1852 OE1 GLU A 114 -20.095 -4.177 -19.343 1.00 3.33 O ATOM 1853 OE2 GLU A 114 -19.307 -2.803 -17.832 1.00 74.41 O ATOM 0 H GLU A 114 -16.477 -4.943 -16.027 1.00 13.53 H new ATOM 0 HA GLU A 114 -17.052 -7.395 -17.349 1.00 44.41 H new ATOM 0 HB2 GLU A 114 -16.755 -4.537 -18.388 1.00 35.22 H new ATOM 0 HB3 GLU A 114 -17.492 -5.859 -19.271 1.00 35.22 H new ATOM 0 HG2 GLU A 114 -19.325 -6.010 -17.665 1.00 30.12 H new ATOM 0 HG3 GLU A 114 -18.539 -4.883 -16.577 1.00 30.12 H new ATOM 1860 N HIS A 115 -14.272 -5.778 -18.189 1.00 71.44 N ATOM 1861 CA HIS A 115 -12.905 -5.912 -18.708 1.00 31.22 C ATOM 1862 C HIS A 115 -12.045 -6.574 -17.613 1.00 73.02 C ATOM 1863 O HIS A 115 -11.317 -5.900 -16.877 1.00 51.24 O ATOM 1864 CB HIS A 115 -12.374 -4.508 -19.121 1.00 1.34 C ATOM 1865 CG HIS A 115 -11.101 -4.499 -19.927 1.00 25.32 C ATOM 1866 ND1 HIS A 115 -11.085 -4.533 -21.308 1.00 53.35 N ATOM 1867 CD2 HIS A 115 -9.802 -4.416 -19.547 1.00 21.42 C ATOM 1868 CE1 HIS A 115 -9.838 -4.472 -21.733 1.00 75.20 C ATOM 1869 NE2 HIS A 115 -9.045 -4.402 -20.687 1.00 45.11 N ATOM 0 H HIS A 115 -14.482 -4.845 -17.833 1.00 71.44 H new ATOM 0 HA HIS A 115 -12.869 -6.540 -19.598 1.00 31.22 H new ATOM 0 HB2 HIS A 115 -13.149 -4.002 -19.696 1.00 1.34 H new ATOM 0 HB3 HIS A 115 -12.213 -3.921 -18.217 1.00 1.34 H new ATOM 0 HD2 HIS A 115 -9.433 -4.370 -18.533 1.00 21.42 H new ATOM 0 HE1 HIS A 115 -9.522 -4.478 -22.766 1.00 75.20 H new ATOM 0 HE2 HIS A 115 -8.027 -4.346 -20.720 1.00 45.11 H new ATOM 1878 N HIS A 116 -12.202 -7.907 -17.468 1.00 10.51 N ATOM 1879 CA HIS A 116 -11.584 -8.680 -16.367 1.00 21.31 C ATOM 1880 C HIS A 116 -10.364 -9.494 -16.828 1.00 5.12 C ATOM 1881 O HIS A 116 -9.675 -10.079 -15.983 1.00 4.40 O ATOM 1882 CB HIS A 116 -12.628 -9.586 -15.658 1.00 41.24 C ATOM 1883 CG HIS A 116 -13.167 -10.739 -16.474 1.00 72.35 C ATOM 1884 ND1 HIS A 116 -12.633 -12.010 -16.414 1.00 74.51 N ATOM 1885 CD2 HIS A 116 -14.208 -10.822 -17.338 1.00 61.11 C ATOM 1886 CE1 HIS A 116 -13.313 -12.811 -17.208 1.00 12.25 C ATOM 1887 NE2 HIS A 116 -14.275 -12.115 -17.778 1.00 14.13 N ATOM 0 H HIS A 116 -12.758 -8.476 -18.107 1.00 10.51 H new ATOM 0 HA HIS A 116 -11.219 -7.952 -15.643 1.00 21.31 H new ATOM 0 HB2 HIS A 116 -12.175 -9.988 -14.752 1.00 41.24 H new ATOM 0 HB3 HIS A 116 -13.467 -8.964 -15.346 1.00 41.24 H new ATOM 0 HD2 HIS A 116 -14.865 -10.014 -17.626 1.00 61.11 H new ATOM 0 HE1 HIS A 116 -13.115 -13.861 -17.365 1.00 12.25 H new ATOM 0 HE2 HIS A 116 -14.959 -12.481 -18.440 1.00 14.13 H new ATOM 1896 N HIS A 117 -10.074 -9.525 -18.153 1.00 10.12 N ATOM 1897 CA HIS A 117 -8.841 -10.158 -18.673 1.00 45.15 C ATOM 1898 C HIS A 117 -7.639 -9.219 -18.418 1.00 51.41 C ATOM 1899 O HIS A 117 -7.254 -8.418 -19.276 1.00 23.14 O ATOM 1900 CB HIS A 117 -8.961 -10.523 -20.180 1.00 35.45 C ATOM 1901 CG HIS A 117 -10.065 -11.497 -20.512 1.00 12.11 C ATOM 1902 ND1 HIS A 117 -10.721 -11.502 -21.725 1.00 23.14 N ATOM 1903 CD2 HIS A 117 -10.606 -12.515 -19.797 1.00 70.13 C ATOM 1904 CE1 HIS A 117 -11.614 -12.470 -21.737 1.00 52.12 C ATOM 1905 NE2 HIS A 117 -11.564 -13.099 -20.579 1.00 14.51 N ATOM 0 H HIS A 117 -10.673 -9.122 -18.873 1.00 10.12 H new ATOM 0 HA HIS A 117 -8.685 -11.097 -18.142 1.00 45.15 H new ATOM 0 HB2 HIS A 117 -9.121 -9.607 -20.749 1.00 35.45 H new ATOM 0 HB3 HIS A 117 -8.012 -10.944 -20.514 1.00 35.45 H new ATOM 0 HD2 HIS A 117 -10.331 -12.810 -18.795 1.00 70.13 H new ATOM 0 HE1 HIS A 117 -12.276 -12.708 -22.557 1.00 52.12 H new ATOM 0 HE2 HIS A 117 -12.146 -13.893 -20.310 1.00 14.51 H new ATOM 1914 N HIS A 118 -7.114 -9.301 -17.183 1.00 4.44 N ATOM 1915 CA HIS A 118 -5.968 -8.504 -16.694 1.00 52.34 C ATOM 1916 C HIS A 118 -5.480 -9.122 -15.377 1.00 43.43 C ATOM 1917 O HIS A 118 -6.255 -9.810 -14.698 1.00 55.54 O ATOM 1918 CB HIS A 118 -6.354 -7.009 -16.474 1.00 74.11 C ATOM 1919 CG HIS A 118 -7.366 -6.766 -15.374 1.00 5.23 C ATOM 1920 ND1 HIS A 118 -7.017 -6.478 -14.073 1.00 63.15 N ATOM 1921 CD2 HIS A 118 -8.713 -6.788 -15.390 1.00 71.50 C ATOM 1922 CE1 HIS A 118 -8.105 -6.336 -13.343 1.00 54.33 C ATOM 1923 NE2 HIS A 118 -9.150 -6.521 -14.120 1.00 10.25 N ATOM 0 H HIS A 118 -7.482 -9.939 -16.477 1.00 4.44 H new ATOM 0 HA HIS A 118 -5.178 -8.523 -17.444 1.00 52.34 H new ATOM 0 HB2 HIS A 118 -5.449 -6.445 -16.246 1.00 74.11 H new ATOM 0 HB3 HIS A 118 -6.751 -6.610 -17.408 1.00 74.11 H new ATOM 0 HD1 HIS A 118 -6.062 -6.388 -13.727 1.00 63.15 H new ATOM 0 HD2 HIS A 118 -9.336 -6.982 -16.250 1.00 71.50 H new ATOM 0 HE1 HIS A 118 -8.134 -6.107 -12.288 1.00 54.33 H new ATOM 1932 N HIS A 119 -4.210 -8.869 -15.006 1.00 12.34 N ATOM 1933 CA HIS A 119 -3.650 -9.365 -13.733 1.00 42.42 C ATOM 1934 C HIS A 119 -4.300 -8.604 -12.550 1.00 23.53 C ATOM 1935 O HIS A 119 -4.771 -7.470 -12.704 1.00 33.32 O ATOM 1936 CB HIS A 119 -2.080 -9.243 -13.703 1.00 64.11 C ATOM 1937 CG HIS A 119 -1.528 -8.112 -12.847 1.00 70.31 C ATOM 1938 ND1 HIS A 119 -1.613 -6.787 -13.194 1.00 33.42 N ATOM 1939 CD2 HIS A 119 -0.965 -8.124 -11.617 1.00 55.13 C ATOM 1940 CE1 HIS A 119 -1.136 -6.046 -12.219 1.00 1.20 C ATOM 1941 NE2 HIS A 119 -0.735 -6.829 -11.240 1.00 12.14 N ATOM 0 H HIS A 119 -3.554 -8.326 -15.567 1.00 12.34 H new ATOM 0 HA HIS A 119 -3.882 -10.426 -13.640 1.00 42.42 H new ATOM 0 HB2 HIS A 119 -1.666 -10.184 -13.341 1.00 64.11 H new ATOM 0 HB3 HIS A 119 -1.724 -9.110 -14.724 1.00 64.11 H new ATOM 0 HD2 HIS A 119 -0.737 -9.004 -11.034 1.00 55.13 H new ATOM 0 HE1 HIS A 119 -1.082 -4.967 -12.221 1.00 1.20 H new ATOM 0 HE2 HIS A 119 -0.325 -6.524 -10.357 1.00 12.14 H new ATOM 1950 N HIS A 120 -4.306 -9.242 -11.379 1.00 14.13 N ATOM 1951 CA HIS A 120 -4.798 -8.638 -10.137 1.00 11.25 C ATOM 1952 C HIS A 120 -3.658 -7.798 -9.493 1.00 61.24 C ATOM 1953 O HIS A 120 -2.831 -8.364 -8.753 1.00 42.43 O ATOM 1954 CB HIS A 120 -5.319 -9.744 -9.180 1.00 42.14 C ATOM 1955 CG HIS A 120 -6.489 -10.527 -9.716 1.00 4.23 C ATOM 1956 ND1 HIS A 120 -7.796 -10.272 -9.358 1.00 23.42 N ATOM 1957 CD2 HIS A 120 -6.541 -11.566 -10.581 1.00 75.10 C ATOM 1958 CE1 HIS A 120 -8.593 -11.113 -9.984 1.00 50.30 C ATOM 1959 NE2 HIS A 120 -7.857 -11.907 -10.729 1.00 52.15 N ATOM 1960 OXT HIS A 120 -3.577 -6.581 -9.769 1.00 38.07 O ATOM 0 H HIS A 120 -3.968 -10.197 -11.263 1.00 14.13 H new ATOM 0 HA HIS A 120 -5.634 -7.971 -10.346 1.00 11.25 H new ATOM 0 HB2 HIS A 120 -4.504 -10.434 -8.963 1.00 42.14 H new ATOM 0 HB3 HIS A 120 -5.607 -9.284 -8.235 1.00 42.14 H new ATOM 0 HD2 HIS A 120 -5.699 -12.039 -11.065 1.00 75.10 H new ATOM 0 HE1 HIS A 120 -9.669 -11.145 -9.899 1.00 50.30 H new ATOM 0 HE2 HIS A 120 -8.211 -12.657 -11.323 1.00 52.15 H new TER 1969 HIS A 120