USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 871 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 34 SER OG : rot 160:sc= -0.577 USER MOD Set 1.2: A 36 ASN : amide:sc= -0.257 X(o=-0.83,f=-0.58) USER MOD Set 2.1: A 18 ASN : amide:sc= -1.92 K(o=-1.9,f=-9.5!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00668 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 16 MET CE :methyl 178:sc= -0.311 (180deg=-0.315) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 33:sc= -0.608 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS :FLIP no HE2:sc= 0.11 F(o=-0.97,f=0.11) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.417 X(o=0.42,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0349 USER MOD Single : A 61 SER OG : rot 180:sc= -1.09 USER MOD Single : A 63 ASN :FLIP amide:sc= -2.46! C(o=-4.7!,f=-2.5!) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.2!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 77 ASN : amide:sc= -0.373 K(o=-0.37,f=-2.8!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -134:sc= -3.93! (180deg=-7.66!) USER MOD Single : A 94 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-1) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0033 USER MOD Single : A 105 ASN : amide:sc= -0.451 K(o=-0.45,f=-2.5!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc=-0.00581 X(o=-0.0058,f=-0.38) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.437 -26.927 -19.136 1.00 0.00 N ATOM 2 CA GLY A 1 -22.544 -26.794 -17.694 1.00 0.00 C ATOM 3 C GLY A 1 -21.214 -27.124 -17.013 1.00 0.00 C ATOM 4 O GLY A 1 -20.619 -28.167 -17.278 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.352 -26.698 -19.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.709 -26.275 -19.492 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.173 -27.904 -19.376 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.844 -25.777 -17.440 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.323 -27.459 -17.321 1.00 0.00 H new ATOM 8 N SER A 2 -20.787 -26.215 -16.148 1.00 0.00 N ATOM 9 CA SER A 2 -19.538 -26.396 -15.428 1.00 0.00 C ATOM 10 C SER A 2 -19.338 -25.253 -14.431 1.00 0.00 C ATOM 11 O SER A 2 -19.170 -24.101 -14.828 1.00 0.00 O ATOM 12 CB SER A 2 -18.352 -26.474 -16.391 1.00 0.00 C ATOM 13 OG SER A 2 -17.395 -27.448 -15.983 1.00 0.00 O ATOM 0 H SER A 2 -21.284 -25.351 -15.930 1.00 0.00 H new ATOM 0 HA SER A 2 -19.591 -27.339 -14.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.712 -26.717 -17.391 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.871 -25.498 -16.454 1.00 0.00 H new ATOM 0 HG SER A 2 -16.655 -27.468 -16.625 1.00 0.00 H new ATOM 19 N SER A 3 -19.363 -25.610 -13.156 1.00 0.00 N ATOM 20 CA SER A 3 -19.187 -24.629 -12.099 1.00 0.00 C ATOM 21 C SER A 3 -19.090 -25.330 -10.743 1.00 0.00 C ATOM 22 O SER A 3 -19.367 -26.524 -10.637 1.00 0.00 O ATOM 23 CB SER A 3 -20.334 -23.616 -12.092 1.00 0.00 C ATOM 24 OG SER A 3 -20.034 -22.475 -11.292 1.00 0.00 O ATOM 0 H SER A 3 -19.503 -26.566 -12.830 1.00 0.00 H new ATOM 0 HA SER A 3 -18.260 -24.087 -12.287 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.543 -23.298 -13.113 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.238 -24.095 -11.716 1.00 0.00 H new ATOM 0 HG SER A 3 -20.790 -21.852 -11.315 1.00 0.00 H new ATOM 30 N GLY A 4 -18.696 -24.559 -9.740 1.00 0.00 N ATOM 31 CA GLY A 4 -18.559 -25.092 -8.396 1.00 0.00 C ATOM 32 C GLY A 4 -17.708 -24.167 -7.523 1.00 0.00 C ATOM 33 O GLY A 4 -16.582 -24.510 -7.165 1.00 0.00 O ATOM 0 H GLY A 4 -18.467 -23.569 -9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.545 -25.215 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.102 -26.081 -8.438 1.00 0.00 H new ATOM 37 N SER A 5 -18.278 -23.014 -7.208 1.00 0.00 N ATOM 38 CA SER A 5 -17.585 -22.037 -6.384 1.00 0.00 C ATOM 39 C SER A 5 -18.463 -20.799 -6.192 1.00 0.00 C ATOM 40 O SER A 5 -18.847 -20.149 -7.162 1.00 0.00 O ATOM 41 CB SER A 5 -16.243 -21.646 -7.006 1.00 0.00 C ATOM 42 OG SER A 5 -15.256 -21.371 -6.016 1.00 0.00 O ATOM 0 H SER A 5 -19.212 -22.734 -7.508 1.00 0.00 H new ATOM 0 HA SER A 5 -17.386 -22.488 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.894 -22.452 -7.652 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.378 -20.768 -7.637 1.00 0.00 H new ATOM 0 HG SER A 5 -14.413 -21.127 -6.453 1.00 0.00 H new ATOM 48 N SER A 6 -18.754 -20.510 -4.932 1.00 0.00 N ATOM 49 CA SER A 6 -19.579 -19.361 -4.599 1.00 0.00 C ATOM 50 C SER A 6 -19.441 -19.030 -3.112 1.00 0.00 C ATOM 51 O SER A 6 -18.998 -19.865 -2.325 1.00 0.00 O ATOM 52 CB SER A 6 -21.046 -19.616 -4.952 1.00 0.00 C ATOM 53 OG SER A 6 -21.763 -18.402 -5.164 1.00 0.00 O ATOM 0 H SER A 6 -18.433 -21.052 -4.129 1.00 0.00 H new ATOM 0 HA SER A 6 -19.234 -18.511 -5.187 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.101 -20.231 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.519 -20.181 -4.149 1.00 0.00 H new ATOM 0 HG SER A 6 -22.695 -18.607 -5.389 1.00 0.00 H new ATOM 59 N GLY A 7 -19.828 -17.809 -2.772 1.00 0.00 N ATOM 60 CA GLY A 7 -19.752 -17.358 -1.393 1.00 0.00 C ATOM 61 C GLY A 7 -19.800 -15.831 -1.312 1.00 0.00 C ATOM 62 O GLY A 7 -19.676 -15.148 -2.328 1.00 0.00 O ATOM 0 H GLY A 7 -20.195 -17.119 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.578 -17.782 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.830 -17.721 -0.938 1.00 0.00 H new ATOM 66 N MET A 8 -19.980 -15.339 -0.095 1.00 0.00 N ATOM 67 CA MET A 8 -20.047 -13.905 0.131 1.00 0.00 C ATOM 68 C MET A 8 -20.230 -13.593 1.617 1.00 0.00 C ATOM 69 O MET A 8 -21.355 -13.551 2.112 1.00 0.00 O ATOM 70 CB MET A 8 -21.215 -13.317 -0.663 1.00 0.00 C ATOM 71 CG MET A 8 -20.710 -12.439 -1.811 1.00 0.00 C ATOM 72 SD MET A 8 -21.819 -12.561 -3.205 1.00 0.00 S ATOM 73 CE MET A 8 -21.102 -11.329 -4.279 1.00 0.00 C ATOM 0 H MET A 8 -20.082 -15.908 0.745 1.00 0.00 H new ATOM 0 HA MET A 8 -19.110 -13.459 -0.202 1.00 0.00 H new ATOM 0 HB2 MET A 8 -21.832 -14.123 -1.061 1.00 0.00 H new ATOM 0 HB3 MET A 8 -21.849 -12.727 -0.001 1.00 0.00 H new ATOM 0 HG2 MET A 8 -20.638 -11.402 -1.482 1.00 0.00 H new ATOM 0 HG3 MET A 8 -19.708 -12.751 -2.105 1.00 0.00 H new ATOM 0 HE1 MET A 8 -21.676 -11.274 -5.204 1.00 0.00 H new ATOM 0 HE2 MET A 8 -21.120 -10.359 -3.782 1.00 0.00 H new ATOM 0 HE3 MET A 8 -20.072 -11.601 -4.508 1.00 0.00 H new ATOM 83 N SER A 9 -19.107 -13.380 2.287 1.00 0.00 N ATOM 84 CA SER A 9 -19.130 -13.073 3.707 1.00 0.00 C ATOM 85 C SER A 9 -17.878 -12.281 4.091 1.00 0.00 C ATOM 86 O SER A 9 -17.977 -11.176 4.624 1.00 0.00 O ATOM 87 CB SER A 9 -19.229 -14.348 4.546 1.00 0.00 C ATOM 88 OG SER A 9 -20.462 -14.426 5.256 1.00 0.00 O ATOM 0 H SER A 9 -18.175 -13.414 1.873 1.00 0.00 H new ATOM 0 HA SER A 9 -20.013 -12.468 3.911 1.00 0.00 H new ATOM 0 HB2 SER A 9 -19.129 -15.218 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.401 -14.382 5.254 1.00 0.00 H new ATOM 0 HG SER A 9 -20.487 -15.255 5.778 1.00 0.00 H new ATOM 94 N SER A 10 -16.730 -12.876 3.805 1.00 0.00 N ATOM 95 CA SER A 10 -15.460 -12.240 4.114 1.00 0.00 C ATOM 96 C SER A 10 -14.965 -11.445 2.904 1.00 0.00 C ATOM 97 O SER A 10 -14.471 -12.023 1.937 1.00 0.00 O ATOM 98 CB SER A 10 -14.414 -13.274 4.534 1.00 0.00 C ATOM 99 OG SER A 10 -14.212 -13.287 5.944 1.00 0.00 O ATOM 0 H SER A 10 -16.652 -13.792 3.363 1.00 0.00 H new ATOM 0 HA SER A 10 -15.613 -11.558 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.730 -14.264 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.470 -13.058 4.035 1.00 0.00 H new ATOM 0 HG SER A 10 -13.538 -13.961 6.172 1.00 0.00 H new ATOM 105 N HIS A 11 -15.114 -10.132 2.997 1.00 0.00 N ATOM 106 CA HIS A 11 -14.689 -9.252 1.922 1.00 0.00 C ATOM 107 C HIS A 11 -13.319 -9.698 1.406 1.00 0.00 C ATOM 108 O HIS A 11 -12.426 -10.009 2.193 1.00 0.00 O ATOM 109 CB HIS A 11 -14.704 -7.791 2.377 1.00 0.00 C ATOM 110 CG HIS A 11 -16.085 -7.250 2.659 1.00 0.00 C ATOM 111 ND1 HIS A 11 -16.530 -6.960 3.936 1.00 0.00 N ATOM 112 CD2 HIS A 11 -17.114 -6.950 1.815 1.00 0.00 C ATOM 113 CE1 HIS A 11 -17.772 -6.506 3.854 1.00 0.00 C ATOM 114 NE2 HIS A 11 -18.132 -6.501 2.538 1.00 0.00 N ATOM 0 H HIS A 11 -15.523 -9.656 3.801 1.00 0.00 H new ATOM 0 HA HIS A 11 -15.392 -9.320 1.092 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.097 -7.695 3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -14.234 -7.177 1.609 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -17.102 -7.059 0.741 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -18.390 -6.195 4.683 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -19.035 -6.201 2.170 1.00 0.00 H new ATOM 122 N VAL A 12 -13.196 -9.714 0.087 1.00 0.00 N ATOM 123 CA VAL A 12 -11.950 -10.117 -0.544 1.00 0.00 C ATOM 124 C VAL A 12 -11.635 -11.565 -0.162 1.00 0.00 C ATOM 125 O VAL A 12 -11.901 -11.986 0.962 1.00 0.00 O ATOM 126 CB VAL A 12 -10.833 -9.142 -0.165 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.468 -9.676 -0.603 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.094 -7.754 -0.754 1.00 0.00 C ATOM 0 H VAL A 12 -13.938 -9.454 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.042 -10.080 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.823 -9.048 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.692 -8.964 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.278 -10.632 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.461 -9.813 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.286 -7.080 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.144 -7.823 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.039 -7.368 -0.372 1.00 0.00 H new ATOM 138 N PRO A 13 -11.058 -12.306 -1.146 1.00 0.00 N ATOM 139 CA PRO A 13 -10.704 -13.697 -0.924 1.00 0.00 C ATOM 140 C PRO A 13 -9.450 -13.812 -0.055 1.00 0.00 C ATOM 141 O PRO A 13 -8.884 -12.803 0.361 1.00 0.00 O ATOM 142 CB PRO A 13 -10.518 -14.282 -2.315 1.00 0.00 C ATOM 143 CG PRO A 13 -10.318 -13.095 -3.243 1.00 0.00 C ATOM 144 CD PRO A 13 -10.729 -11.840 -2.490 1.00 0.00 C ATOM 0 HA PRO A 13 -11.471 -14.244 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.658 -14.951 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.388 -14.868 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.277 -13.028 -3.557 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.917 -13.212 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.921 -11.108 -2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.584 -11.357 -2.962 1.00 0.00 H new ATOM 152 N ALA A 14 -9.054 -15.052 0.195 1.00 0.00 N ATOM 153 CA ALA A 14 -7.878 -15.312 1.008 1.00 0.00 C ATOM 154 C ALA A 14 -6.668 -15.520 0.095 1.00 0.00 C ATOM 155 O ALA A 14 -5.585 -15.868 0.563 1.00 0.00 O ATOM 156 CB ALA A 14 -8.140 -16.517 1.914 1.00 0.00 C ATOM 0 H ALA A 14 -9.527 -15.887 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.661 -14.461 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.258 -16.712 2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.990 -16.306 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.359 -17.392 1.302 1.00 0.00 H new ATOM 162 N ASP A 15 -6.893 -15.299 -1.192 1.00 0.00 N ATOM 163 CA ASP A 15 -5.835 -15.459 -2.175 1.00 0.00 C ATOM 164 C ASP A 15 -5.402 -14.081 -2.679 1.00 0.00 C ATOM 165 O ASP A 15 -4.279 -13.914 -3.154 1.00 0.00 O ATOM 166 CB ASP A 15 -6.318 -16.272 -3.377 1.00 0.00 C ATOM 167 CG ASP A 15 -5.253 -16.552 -4.439 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.059 -16.514 -4.069 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.655 -16.798 -5.596 1.00 0.00 O ATOM 0 H ASP A 15 -7.793 -15.010 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.006 -15.981 -1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.711 -17.223 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.147 -15.741 -3.846 1.00 0.00 H new ATOM 174 N MET A 16 -6.314 -13.128 -2.560 1.00 0.00 N ATOM 175 CA MET A 16 -6.041 -11.770 -2.998 1.00 0.00 C ATOM 176 C MET A 16 -5.910 -10.824 -1.803 1.00 0.00 C ATOM 177 O MET A 16 -6.410 -11.117 -0.717 1.00 0.00 O ATOM 178 CB MET A 16 -7.172 -11.289 -3.909 1.00 0.00 C ATOM 179 CG MET A 16 -7.234 -12.120 -5.192 1.00 0.00 C ATOM 180 SD MET A 16 -7.459 -11.048 -6.602 1.00 0.00 S ATOM 181 CE MET A 16 -5.797 -10.426 -6.788 1.00 0.00 C ATOM 0 H MET A 16 -7.244 -13.270 -2.166 1.00 0.00 H new ATOM 0 HA MET A 16 -5.098 -11.768 -3.544 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.123 -11.357 -3.381 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.021 -10.239 -4.159 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.316 -12.697 -5.306 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.055 -12.835 -5.133 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.751 -9.764 -7.652 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.513 -9.874 -5.892 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.110 -11.260 -6.933 1.00 0.00 H new ATOM 191 N ILE A 17 -5.236 -9.709 -2.042 1.00 0.00 N ATOM 192 CA ILE A 17 -5.033 -8.718 -0.998 1.00 0.00 C ATOM 193 C ILE A 17 -5.710 -7.408 -1.406 1.00 0.00 C ATOM 194 O ILE A 17 -5.455 -6.885 -2.490 1.00 0.00 O ATOM 195 CB ILE A 17 -3.543 -8.568 -0.684 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.893 -9.933 -0.446 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.324 -7.616 0.493 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.563 -10.044 -1.194 1.00 0.00 C ATOM 0 H ILE A 17 -4.823 -9.469 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.500 -9.043 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.054 -8.125 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.728 -10.080 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.567 -10.723 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.257 -7.527 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.730 -6.635 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.829 -8.007 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.122 -11.023 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.735 -9.921 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.883 -9.267 -0.844 1.00 0.00 H new ATOM 210 N ASN A 18 -6.560 -6.917 -0.517 1.00 0.00 N ATOM 211 CA ASN A 18 -7.276 -5.678 -0.771 1.00 0.00 C ATOM 212 C ASN A 18 -6.413 -4.495 -0.325 1.00 0.00 C ATOM 213 O ASN A 18 -6.031 -4.405 0.841 1.00 0.00 O ATOM 214 CB ASN A 18 -8.588 -5.629 0.015 1.00 0.00 C ATOM 215 CG ASN A 18 -9.485 -4.496 -0.487 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.110 -3.700 -1.331 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.689 -4.469 0.078 1.00 0.00 N ATOM 0 H ASN A 18 -6.769 -7.354 0.380 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.493 -5.626 -1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.110 -6.581 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.376 -5.488 1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.362 -3.751 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.939 -5.166 0.779 1.00 0.00 H new ATOM 224 N LEU A 19 -6.132 -3.617 -1.277 1.00 0.00 N ATOM 225 CA LEU A 19 -5.322 -2.444 -0.997 1.00 0.00 C ATOM 226 C LEU A 19 -6.170 -1.186 -1.194 1.00 0.00 C ATOM 227 O LEU A 19 -6.822 -1.027 -2.225 1.00 0.00 O ATOM 228 CB LEU A 19 -4.044 -2.462 -1.837 1.00 0.00 C ATOM 229 CG LEU A 19 -2.864 -3.238 -1.247 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.060 -2.362 -0.284 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.336 -4.534 -0.586 1.00 0.00 C ATOM 0 H LEU A 19 -6.451 -3.695 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.992 -2.448 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.280 -2.886 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.729 -1.432 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.196 -3.518 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.227 -2.937 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.675 -1.493 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.704 -2.032 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.478 -5.066 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.036 -4.299 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.831 -5.161 -1.327 1.00 0.00 H new ATOM 243 N ARG A 20 -6.133 -0.323 -0.189 1.00 0.00 N ATOM 244 CA ARG A 20 -6.889 0.917 -0.239 1.00 0.00 C ATOM 245 C ARG A 20 -6.036 2.036 -0.838 1.00 0.00 C ATOM 246 O ARG A 20 -5.107 2.525 -0.196 1.00 0.00 O ATOM 247 CB ARG A 20 -7.358 1.333 1.157 1.00 0.00 C ATOM 248 CG ARG A 20 -8.871 1.159 1.302 1.00 0.00 C ATOM 249 CD ARG A 20 -9.271 1.052 2.775 1.00 0.00 C ATOM 250 NE ARG A 20 -10.503 0.243 2.907 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.274 0.223 4.003 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.945 0.966 5.068 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.375 -0.541 4.034 1.00 0.00 N ATOM 0 H ARG A 20 -5.591 -0.458 0.665 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.763 0.747 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.846 0.734 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.089 2.373 1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.384 2.004 0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.191 0.264 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.463 0.596 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.433 2.047 3.190 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.783 -0.335 2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.107 1.547 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.532 0.950 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.626 -1.107 3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.962 -0.556 4.868 1.00 0.00 H new ATOM 267 N LEU A 21 -6.380 2.410 -2.062 1.00 0.00 N ATOM 268 CA LEU A 21 -5.657 3.462 -2.754 1.00 0.00 C ATOM 269 C LEU A 21 -6.177 4.824 -2.289 1.00 0.00 C ATOM 270 O LEU A 21 -7.386 5.041 -2.221 1.00 0.00 O ATOM 271 CB LEU A 21 -5.735 3.259 -4.269 1.00 0.00 C ATOM 272 CG LEU A 21 -4.838 2.162 -4.846 1.00 0.00 C ATOM 273 CD1 LEU A 21 -3.378 2.617 -4.892 1.00 0.00 C ATOM 274 CD2 LEU A 21 -5.006 0.853 -4.072 1.00 0.00 C ATOM 0 H LEU A 21 -7.150 2.002 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.597 3.423 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.768 3.032 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.482 4.201 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.149 1.971 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.761 1.819 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.293 3.504 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.038 2.852 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.357 0.090 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.737 1.011 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.043 0.524 -4.134 1.00 0.00 H new ATOM 286 N ILE A 22 -5.238 5.706 -1.980 1.00 0.00 N ATOM 287 CA ILE A 22 -5.586 7.041 -1.523 1.00 0.00 C ATOM 288 C ILE A 22 -4.752 8.071 -2.288 1.00 0.00 C ATOM 289 O ILE A 22 -3.524 8.002 -2.291 1.00 0.00 O ATOM 290 CB ILE A 22 -5.443 7.141 -0.003 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.443 6.222 0.703 1.00 0.00 C ATOM 292 CG2 ILE A 22 -5.569 8.592 0.465 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.761 5.421 1.814 1.00 0.00 C ATOM 0 H ILE A 22 -4.236 5.522 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.633 7.256 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.444 6.800 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.254 6.816 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.889 5.540 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.464 8.635 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.788 9.193 0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.546 8.983 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.493 4.776 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.966 4.810 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.337 6.106 2.548 1.00 0.00 H new ATOM 305 N LEU A 23 -5.454 9.002 -2.919 1.00 0.00 N ATOM 306 CA LEU A 23 -4.794 10.045 -3.686 1.00 0.00 C ATOM 307 C LEU A 23 -4.988 11.389 -2.982 1.00 0.00 C ATOM 308 O LEU A 23 -4.138 11.813 -2.200 1.00 0.00 O ATOM 309 CB LEU A 23 -5.281 10.034 -5.136 1.00 0.00 C ATOM 310 CG LEU A 23 -4.395 9.287 -6.136 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.045 9.988 -6.301 1.00 0.00 C ATOM 312 CD2 LEU A 23 -4.234 7.819 -5.736 1.00 0.00 C ATOM 0 H LEU A 23 -6.473 9.055 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.721 9.862 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.276 9.590 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.383 11.066 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.887 9.303 -7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.434 9.438 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.204 11.003 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.534 10.024 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.600 7.311 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.774 7.759 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.213 7.339 -5.710 1.00 0.00 H new ATOM 324 N VAL A 24 -6.111 12.023 -3.285 1.00 0.00 N ATOM 325 CA VAL A 24 -6.427 13.311 -2.691 1.00 0.00 C ATOM 326 C VAL A 24 -7.812 13.243 -2.044 1.00 0.00 C ATOM 327 O VAL A 24 -8.495 12.224 -2.136 1.00 0.00 O ATOM 328 CB VAL A 24 -6.313 14.415 -3.745 1.00 0.00 C ATOM 329 CG1 VAL A 24 -4.850 14.686 -4.098 1.00 0.00 C ATOM 330 CG2 VAL A 24 -7.124 14.066 -4.995 1.00 0.00 C ATOM 0 H VAL A 24 -6.814 11.669 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.712 13.555 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.730 15.328 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.797 15.474 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.312 15.000 -3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.397 13.777 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.026 14.867 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.751 13.135 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.174 13.947 -4.726 1.00 0.00 H new ATOM 340 N SER A 25 -8.186 14.341 -1.404 1.00 0.00 N ATOM 341 CA SER A 25 -9.477 14.419 -0.742 1.00 0.00 C ATOM 342 C SER A 25 -9.496 13.495 0.477 1.00 0.00 C ATOM 343 O SER A 25 -9.569 13.962 1.613 1.00 0.00 O ATOM 344 CB SER A 25 -10.611 14.055 -1.702 1.00 0.00 C ATOM 345 OG SER A 25 -11.867 14.566 -1.263 1.00 0.00 O ATOM 0 H SER A 25 -7.617 15.184 -1.330 1.00 0.00 H new ATOM 0 HA SER A 25 -9.632 15.447 -0.413 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.387 14.448 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.673 12.971 -1.795 1.00 0.00 H new ATOM 0 HG SER A 25 -12.565 14.314 -1.903 1.00 0.00 H new ATOM 351 N GLY A 26 -9.429 12.201 0.200 1.00 0.00 N ATOM 352 CA GLY A 26 -9.438 11.208 1.261 1.00 0.00 C ATOM 353 C GLY A 26 -10.067 9.899 0.780 1.00 0.00 C ATOM 354 O GLY A 26 -9.574 8.817 1.094 1.00 0.00 O ATOM 0 H GLY A 26 -9.368 11.817 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.419 11.023 1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.994 11.590 2.117 1.00 0.00 H new ATOM 358 N LYS A 27 -11.148 10.040 0.026 1.00 0.00 N ATOM 359 CA LYS A 27 -11.850 8.883 -0.501 1.00 0.00 C ATOM 360 C LYS A 27 -10.831 7.869 -1.026 1.00 0.00 C ATOM 361 O LYS A 27 -10.040 8.182 -1.914 1.00 0.00 O ATOM 362 CB LYS A 27 -12.883 9.312 -1.544 1.00 0.00 C ATOM 363 CG LYS A 27 -14.286 9.370 -0.934 1.00 0.00 C ATOM 364 CD LYS A 27 -15.345 9.592 -2.016 1.00 0.00 C ATOM 365 CE LYS A 27 -16.729 9.788 -1.396 1.00 0.00 C ATOM 366 NZ LYS A 27 -17.784 9.324 -2.324 1.00 0.00 N ATOM 0 H LYS A 27 -11.555 10.939 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.415 8.388 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.616 10.290 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.874 8.612 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.494 8.442 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.335 10.176 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -15.083 10.466 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.363 8.738 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.795 9.238 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.882 10.841 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -18.717 9.464 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -17.731 9.867 -3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -17.646 8.314 -2.529 1.00 0.00 H new ATOM 380 N THR A 28 -10.883 6.675 -0.454 1.00 0.00 N ATOM 381 CA THR A 28 -9.974 5.614 -0.853 1.00 0.00 C ATOM 382 C THR A 28 -10.692 4.609 -1.757 1.00 0.00 C ATOM 383 O THR A 28 -11.920 4.554 -1.777 1.00 0.00 O ATOM 384 CB THR A 28 -9.396 4.984 0.416 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.492 3.995 -0.068 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.439 4.185 1.200 1.00 0.00 C ATOM 0 H THR A 28 -11.540 6.419 0.283 1.00 0.00 H new ATOM 0 HA THR A 28 -9.146 6.004 -1.445 1.00 0.00 H new ATOM 0 HB THR A 28 -8.983 5.766 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.094 4.300 -0.910 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.977 3.759 2.091 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.256 4.844 1.495 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.828 3.382 0.574 1.00 0.00 H new ATOM 394 N LYS A 29 -9.894 3.841 -2.484 1.00 0.00 N ATOM 395 CA LYS A 29 -10.437 2.841 -3.388 1.00 0.00 C ATOM 396 C LYS A 29 -9.839 1.474 -3.049 1.00 0.00 C ATOM 397 O LYS A 29 -8.646 1.367 -2.771 1.00 0.00 O ATOM 398 CB LYS A 29 -10.224 3.262 -4.843 1.00 0.00 C ATOM 399 CG LYS A 29 -11.408 4.085 -5.355 1.00 0.00 C ATOM 400 CD LYS A 29 -12.164 3.333 -6.452 1.00 0.00 C ATOM 401 CE LYS A 29 -13.677 3.477 -6.272 1.00 0.00 C ATOM 402 NZ LYS A 29 -14.398 2.613 -7.233 1.00 0.00 N ATOM 0 H LYS A 29 -8.875 3.891 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.516 2.757 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.308 3.846 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.095 2.377 -5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.084 4.308 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.052 5.039 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.872 3.718 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.890 2.278 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.955 3.208 -5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.969 4.517 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.423 2.723 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.146 2.888 -8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.132 1.620 -7.074 1.00 0.00 H new ATOM 416 N GLU A 30 -10.696 0.464 -3.084 1.00 0.00 N ATOM 417 CA GLU A 30 -10.267 -0.891 -2.784 1.00 0.00 C ATOM 418 C GLU A 30 -9.842 -1.610 -4.066 1.00 0.00 C ATOM 419 O GLU A 30 -10.596 -1.651 -5.037 1.00 0.00 O ATOM 420 CB GLU A 30 -11.368 -1.667 -2.059 1.00 0.00 C ATOM 421 CG GLU A 30 -11.899 -0.877 -0.862 1.00 0.00 C ATOM 422 CD GLU A 30 -12.977 -1.668 -0.117 1.00 0.00 C ATOM 423 OE1 GLU A 30 -14.008 -1.964 -0.757 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.744 -1.959 1.076 1.00 0.00 O ATOM 0 H GLU A 30 -11.685 0.557 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.406 -0.839 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.184 -1.879 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.979 -2.628 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.079 -0.644 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.310 0.073 -1.202 1.00 0.00 H new ATOM 431 N PHE A 31 -8.637 -2.158 -4.028 1.00 0.00 N ATOM 432 CA PHE A 31 -8.103 -2.873 -5.175 1.00 0.00 C ATOM 433 C PHE A 31 -7.839 -4.340 -4.832 1.00 0.00 C ATOM 434 O PHE A 31 -8.185 -4.800 -3.745 1.00 0.00 O ATOM 435 CB PHE A 31 -6.779 -2.201 -5.544 1.00 0.00 C ATOM 436 CG PHE A 31 -6.932 -0.988 -6.464 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.770 0.026 -6.119 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.230 -0.924 -7.627 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.911 1.152 -6.972 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.371 0.202 -8.481 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.209 1.216 -8.135 1.00 0.00 C ATOM 0 H PHE A 31 -8.015 -2.122 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.817 -2.843 -5.998 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.274 -1.889 -4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.135 -2.934 -6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.328 -0.025 -5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.565 -1.730 -7.901 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.576 1.958 -6.697 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.813 0.253 -9.404 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.317 2.072 -8.784 1.00 0.00 H new ATOM 451 N LEU A 32 -7.228 -5.035 -5.780 1.00 0.00 N ATOM 452 CA LEU A 32 -6.913 -6.441 -5.592 1.00 0.00 C ATOM 453 C LEU A 32 -5.504 -6.719 -6.120 1.00 0.00 C ATOM 454 O LEU A 32 -5.152 -6.289 -7.217 1.00 0.00 O ATOM 455 CB LEU A 32 -7.991 -7.321 -6.227 1.00 0.00 C ATOM 456 CG LEU A 32 -9.286 -7.478 -5.427 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.490 -7.637 -6.358 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.177 -8.633 -4.429 1.00 0.00 C ATOM 0 H LEU A 32 -6.943 -4.651 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.912 -6.692 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.239 -6.908 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.570 -8.312 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.443 -6.567 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.397 -7.747 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.577 -6.756 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.354 -8.522 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.110 -8.723 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.984 -9.561 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.359 -8.438 -3.735 1.00 0.00 H new ATOM 470 N PHE A 33 -4.735 -7.436 -5.313 1.00 0.00 N ATOM 471 CA PHE A 33 -3.372 -7.777 -5.685 1.00 0.00 C ATOM 472 C PHE A 33 -2.969 -9.134 -5.106 1.00 0.00 C ATOM 473 O PHE A 33 -3.649 -9.666 -4.230 1.00 0.00 O ATOM 474 CB PHE A 33 -2.465 -6.694 -5.096 1.00 0.00 C ATOM 475 CG PHE A 33 -2.758 -5.286 -5.616 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.738 -5.037 -6.953 1.00 0.00 C ATOM 477 CD2 PHE A 33 -3.039 -4.283 -4.742 1.00 0.00 C ATOM 478 CE1 PHE A 33 -3.010 -3.729 -7.436 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.311 -2.975 -5.225 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.291 -2.726 -6.562 1.00 0.00 C ATOM 0 H PHE A 33 -5.030 -7.790 -4.403 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.285 -7.835 -6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.569 -6.698 -4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.427 -6.943 -5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.515 -5.834 -7.647 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.055 -4.481 -3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.994 -3.531 -8.498 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.534 -2.178 -4.531 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.498 -1.732 -6.929 1.00 0.00 H new ATOM 490 N SER A 34 -1.864 -9.656 -5.619 1.00 0.00 N ATOM 491 CA SER A 34 -1.362 -10.941 -5.164 1.00 0.00 C ATOM 492 C SER A 34 -0.075 -10.745 -4.361 1.00 0.00 C ATOM 493 O SER A 34 0.545 -9.685 -4.423 1.00 0.00 O ATOM 494 CB SER A 34 -1.113 -11.884 -6.343 1.00 0.00 C ATOM 495 OG SER A 34 0.157 -12.524 -6.256 1.00 0.00 O ATOM 0 H SER A 34 -1.302 -9.212 -6.346 1.00 0.00 H new ATOM 0 HA SER A 34 -2.117 -11.396 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.898 -12.639 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.173 -11.322 -7.275 1.00 0.00 H new ATOM 0 HG SER A 34 0.157 -13.329 -6.815 1.00 0.00 H new ATOM 501 N PRO A 35 0.298 -11.812 -3.604 1.00 0.00 N ATOM 502 CA PRO A 35 1.500 -11.768 -2.789 1.00 0.00 C ATOM 503 C PRO A 35 2.755 -11.898 -3.655 1.00 0.00 C ATOM 504 O PRO A 35 3.873 -11.787 -3.154 1.00 0.00 O ATOM 505 CB PRO A 35 1.343 -12.906 -1.795 1.00 0.00 C ATOM 506 CG PRO A 35 0.290 -13.831 -2.382 1.00 0.00 C ATOM 507 CD PRO A 35 -0.411 -13.084 -3.505 1.00 0.00 C ATOM 0 HA PRO A 35 1.622 -10.818 -2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.287 -13.431 -1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.034 -12.532 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.751 -14.744 -2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.426 -14.129 -1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.361 -13.639 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.467 -12.932 -3.281 1.00 0.00 H new ATOM 515 N ASN A 36 2.528 -12.132 -4.939 1.00 0.00 N ATOM 516 CA ASN A 36 3.626 -12.279 -5.879 1.00 0.00 C ATOM 517 C ASN A 36 3.875 -10.942 -6.579 1.00 0.00 C ATOM 518 O ASN A 36 4.995 -10.657 -7.001 1.00 0.00 O ATOM 519 CB ASN A 36 3.297 -13.320 -6.951 1.00 0.00 C ATOM 520 CG ASN A 36 3.393 -14.739 -6.386 1.00 0.00 C ATOM 521 OD1 ASN A 36 4.293 -15.500 -6.700 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.417 -15.050 -5.537 1.00 0.00 N ATOM 0 H ASN A 36 1.599 -12.223 -5.351 1.00 0.00 H new ATOM 0 HA ASN A 36 4.506 -12.600 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.292 -13.145 -7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.984 -13.212 -7.791 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.392 -15.974 -5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.694 -14.365 -5.318 1.00 0.00 H new ATOM 529 N ASP A 37 2.813 -10.156 -6.679 1.00 0.00 N ATOM 530 CA ASP A 37 2.902 -8.855 -7.321 1.00 0.00 C ATOM 531 C ASP A 37 3.792 -7.937 -6.480 1.00 0.00 C ATOM 532 O ASP A 37 3.634 -7.858 -5.263 1.00 0.00 O ATOM 533 CB ASP A 37 1.524 -8.202 -7.436 1.00 0.00 C ATOM 534 CG ASP A 37 0.536 -8.932 -8.347 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.978 -9.899 -9.004 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.639 -8.507 -8.367 1.00 0.00 O ATOM 0 H ASP A 37 1.886 -10.395 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 37 3.317 -8.999 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.089 -8.128 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.651 -7.184 -7.805 1.00 0.00 H new ATOM 541 N SER A 38 4.709 -7.267 -7.163 1.00 0.00 N ATOM 542 CA SER A 38 5.624 -6.358 -6.495 1.00 0.00 C ATOM 543 C SER A 38 5.029 -4.949 -6.460 1.00 0.00 C ATOM 544 O SER A 38 4.051 -4.667 -7.150 1.00 0.00 O ATOM 545 CB SER A 38 6.988 -6.342 -7.187 1.00 0.00 C ATOM 546 OG SER A 38 6.931 -5.714 -8.465 1.00 0.00 O ATOM 0 H SER A 38 4.838 -7.336 -8.173 1.00 0.00 H new ATOM 0 HA SER A 38 5.770 -6.709 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.708 -5.819 -6.558 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.349 -7.364 -7.301 1.00 0.00 H new ATOM 0 HG SER A 38 7.822 -5.722 -8.874 1.00 0.00 H new ATOM 552 N ALA A 39 5.646 -4.101 -5.650 1.00 0.00 N ATOM 553 CA ALA A 39 5.190 -2.727 -5.517 1.00 0.00 C ATOM 554 C ALA A 39 4.933 -2.143 -6.907 1.00 0.00 C ATOM 555 O ALA A 39 3.945 -1.439 -7.116 1.00 0.00 O ATOM 556 CB ALA A 39 6.222 -1.921 -4.727 1.00 0.00 C ATOM 0 H ALA A 39 6.457 -4.338 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 39 4.252 -2.686 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.880 -0.891 -4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.346 -2.360 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.177 -1.937 -5.253 1.00 0.00 H new ATOM 562 N SER A 40 5.838 -2.455 -7.822 1.00 0.00 N ATOM 563 CA SER A 40 5.722 -1.970 -9.187 1.00 0.00 C ATOM 564 C SER A 40 4.359 -2.355 -9.765 1.00 0.00 C ATOM 565 O SER A 40 3.549 -1.487 -10.086 1.00 0.00 O ATOM 566 CB SER A 40 6.847 -2.521 -10.065 1.00 0.00 C ATOM 567 OG SER A 40 7.824 -1.529 -10.368 1.00 0.00 O ATOM 0 H SER A 40 6.656 -3.038 -7.645 1.00 0.00 H new ATOM 0 HA SER A 40 5.809 -0.884 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.326 -3.358 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.426 -2.910 -10.992 1.00 0.00 H new ATOM 0 HG SER A 40 8.526 -1.921 -10.929 1.00 0.00 H new ATOM 573 N ASP A 41 4.148 -3.658 -9.881 1.00 0.00 N ATOM 574 CA ASP A 41 2.897 -4.169 -10.415 1.00 0.00 C ATOM 575 C ASP A 41 1.738 -3.326 -9.882 1.00 0.00 C ATOM 576 O ASP A 41 0.893 -2.870 -10.651 1.00 0.00 O ATOM 577 CB ASP A 41 2.665 -5.619 -9.983 1.00 0.00 C ATOM 578 CG ASP A 41 3.218 -6.676 -10.941 1.00 0.00 C ATOM 579 OD1 ASP A 41 4.352 -6.467 -11.423 1.00 0.00 O ATOM 580 OD2 ASP A 41 2.493 -7.668 -11.170 1.00 0.00 O ATOM 0 H ASP A 41 4.822 -4.375 -9.614 1.00 0.00 H new ATOM 0 HA ASP A 41 2.950 -4.121 -11.503 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.118 -5.767 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.593 -5.781 -9.867 1.00 0.00 H new ATOM 585 N ILE A 42 1.734 -3.144 -8.570 1.00 0.00 N ATOM 586 CA ILE A 42 0.692 -2.363 -7.925 1.00 0.00 C ATOM 587 C ILE A 42 0.670 -0.956 -8.526 1.00 0.00 C ATOM 588 O ILE A 42 -0.228 -0.621 -9.297 1.00 0.00 O ATOM 589 CB ILE A 42 0.872 -2.380 -6.406 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.791 -3.807 -5.860 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.131 -1.447 -5.725 1.00 0.00 C ATOM 592 CD1 ILE A 42 0.996 -3.826 -4.344 1.00 0.00 C ATOM 0 H ILE A 42 2.436 -3.524 -7.935 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.287 -2.806 -8.112 1.00 0.00 H new ATOM 0 HB ILE A 42 1.869 -2.004 -6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.179 -4.239 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.547 -4.428 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.018 -1.478 -4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.018 -0.428 -6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.145 -1.769 -5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.934 -4.852 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.977 -3.415 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.224 -3.224 -3.865 1.00 0.00 H new ATOM 604 N ALA A 43 1.668 -0.170 -8.151 1.00 0.00 N ATOM 605 CA ALA A 43 1.774 1.192 -8.643 1.00 0.00 C ATOM 606 C ALA A 43 1.368 1.231 -10.118 1.00 0.00 C ATOM 607 O ALA A 43 0.516 2.026 -10.510 1.00 0.00 O ATOM 608 CB ALA A 43 3.197 1.708 -8.417 1.00 0.00 C ATOM 0 H ALA A 43 2.411 -0.451 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 43 1.098 1.850 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.276 2.730 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.426 1.688 -7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.903 1.073 -8.952 1.00 0.00 H new ATOM 614 N LYS A 44 1.997 0.361 -10.894 1.00 0.00 N ATOM 615 CA LYS A 44 1.712 0.285 -12.317 1.00 0.00 C ATOM 616 C LYS A 44 0.203 0.143 -12.523 1.00 0.00 C ATOM 617 O LYS A 44 -0.420 0.979 -13.176 1.00 0.00 O ATOM 618 CB LYS A 44 2.530 -0.832 -12.969 1.00 0.00 C ATOM 619 CG LYS A 44 3.280 -0.316 -14.198 1.00 0.00 C ATOM 620 CD LYS A 44 4.684 0.163 -13.823 1.00 0.00 C ATOM 621 CE LYS A 44 5.310 0.973 -14.961 1.00 0.00 C ATOM 622 NZ LYS A 44 5.568 2.363 -14.526 1.00 0.00 N ATOM 0 H LYS A 44 2.703 -0.297 -10.565 1.00 0.00 H new ATOM 0 HA LYS A 44 2.017 1.204 -12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.241 -1.236 -12.248 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.870 -1.650 -13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.349 -1.107 -14.945 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.722 0.503 -14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.635 0.774 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.315 -0.695 -13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.242 0.506 -15.278 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.644 0.973 -15.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.993 2.899 -15.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.672 2.811 -14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.221 2.358 -13.716 1.00 0.00 H new ATOM 636 N HIS A 45 -0.342 -0.922 -11.954 1.00 0.00 N ATOM 637 CA HIS A 45 -1.767 -1.185 -12.067 1.00 0.00 C ATOM 638 C HIS A 45 -2.547 0.112 -11.848 1.00 0.00 C ATOM 639 O HIS A 45 -3.370 0.495 -12.678 1.00 0.00 O ATOM 640 CB HIS A 45 -2.191 -2.301 -11.111 1.00 0.00 C ATOM 641 CG HIS A 45 -3.681 -2.544 -11.073 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.654 -1.994 -10.292 1.00 0.00 N flip ATOM 643 CD2 HIS A 45 -4.315 -3.447 -11.909 1.00 0.00 C flip ATOM 644 CE1 HIS A 45 -5.819 -2.531 -10.633 1.00 0.00 C flip ATOM 645 NE2 HIS A 45 -5.611 -3.432 -11.635 1.00 0.00 N flip ATOM 0 H HIS A 45 0.178 -1.613 -11.413 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.996 -1.541 -13.072 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.690 -3.224 -11.402 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.848 -2.055 -10.106 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.511 -1.289 -9.568 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.835 -4.060 -12.658 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.775 -2.293 -10.190 1.00 0.00 H new ATOM 653 N VAL A 46 -2.260 0.754 -10.724 1.00 0.00 N ATOM 654 CA VAL A 46 -2.925 2.001 -10.385 1.00 0.00 C ATOM 655 C VAL A 46 -2.665 3.029 -11.487 1.00 0.00 C ATOM 656 O VAL A 46 -3.603 3.581 -12.060 1.00 0.00 O ATOM 657 CB VAL A 46 -2.470 2.477 -9.004 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.262 3.708 -8.560 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.580 1.353 -7.972 1.00 0.00 C ATOM 0 H VAL A 46 -1.577 0.434 -10.038 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.004 1.855 -10.325 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.421 2.762 -9.078 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.919 4.026 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.110 4.516 -9.276 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.322 3.461 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.250 1.718 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.616 1.022 -7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.952 0.516 -8.277 1.00 0.00 H new ATOM 669 N TYR A 47 -1.387 3.256 -11.752 1.00 0.00 N ATOM 670 CA TYR A 47 -0.992 4.208 -12.776 1.00 0.00 C ATOM 671 C TYR A 47 -1.752 3.958 -14.080 1.00 0.00 C ATOM 672 O TYR A 47 -2.300 4.887 -14.671 1.00 0.00 O ATOM 673 CB TYR A 47 0.501 3.974 -13.016 1.00 0.00 C ATOM 674 CG TYR A 47 1.071 4.755 -14.202 1.00 0.00 C ATOM 675 CD1 TYR A 47 1.017 6.135 -14.208 1.00 0.00 C ATOM 676 CD2 TYR A 47 1.638 4.082 -15.264 1.00 0.00 C ATOM 677 CE1 TYR A 47 1.554 6.870 -15.324 1.00 0.00 C ATOM 678 CE2 TYR A 47 2.174 4.817 -16.380 1.00 0.00 C ATOM 679 CZ TYR A 47 2.105 6.175 -16.355 1.00 0.00 C ATOM 680 OH TYR A 47 2.612 6.870 -17.409 1.00 0.00 O ATOM 0 H TYR A 47 -0.611 2.797 -11.275 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.209 5.227 -12.457 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.051 4.249 -12.116 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.670 2.910 -13.180 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.573 6.662 -13.377 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.680 3.003 -15.258 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.520 7.949 -15.342 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.621 4.302 -17.218 1.00 0.00 H new ATOM 0 HH TYR A 47 2.974 6.244 -18.070 1.00 0.00 H new ATOM 690 N ASP A 48 -1.759 2.698 -14.491 1.00 0.00 N ATOM 691 CA ASP A 48 -2.442 2.314 -15.714 1.00 0.00 C ATOM 692 C ASP A 48 -3.861 2.887 -15.702 1.00 0.00 C ATOM 693 O ASP A 48 -4.357 3.349 -16.729 1.00 0.00 O ATOM 694 CB ASP A 48 -2.548 0.792 -15.831 1.00 0.00 C ATOM 695 CG ASP A 48 -1.574 0.151 -16.822 1.00 0.00 C ATOM 696 OD1 ASP A 48 -1.892 0.181 -18.030 1.00 0.00 O ATOM 697 OD2 ASP A 48 -0.534 -0.355 -16.348 1.00 0.00 O ATOM 0 H ASP A 48 -1.302 1.930 -13.998 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.869 2.702 -16.556 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.382 0.354 -14.847 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.565 0.535 -16.127 1.00 0.00 H new ATOM 702 N ASN A 49 -4.475 2.838 -14.529 1.00 0.00 N ATOM 703 CA ASN A 49 -5.827 3.346 -14.369 1.00 0.00 C ATOM 704 C ASN A 49 -5.769 4.834 -14.020 1.00 0.00 C ATOM 705 O ASN A 49 -4.719 5.345 -13.634 1.00 0.00 O ATOM 706 CB ASN A 49 -6.557 2.622 -13.237 1.00 0.00 C ATOM 707 CG ASN A 49 -7.116 1.280 -13.714 1.00 0.00 C ATOM 708 OD1 ASN A 49 -8.227 1.181 -14.208 1.00 0.00 O ATOM 709 ND2 ASN A 49 -6.285 0.256 -13.540 1.00 0.00 N ATOM 0 H ASN A 49 -4.061 2.454 -13.680 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.362 3.183 -15.304 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.873 2.459 -12.404 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.369 3.247 -12.865 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.565 -0.682 -13.827 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.368 0.409 -13.120 1.00 0.00 H new ATOM 716 N TRP A 50 -6.912 5.489 -14.167 1.00 0.00 N ATOM 717 CA TRP A 50 -7.005 6.908 -13.872 1.00 0.00 C ATOM 718 C TRP A 50 -6.338 7.674 -15.016 1.00 0.00 C ATOM 719 O TRP A 50 -5.120 7.850 -15.023 1.00 0.00 O ATOM 720 CB TRP A 50 -6.396 7.225 -12.505 1.00 0.00 C ATOM 721 CG TRP A 50 -6.822 6.262 -11.395 1.00 0.00 C ATOM 722 CD1 TRP A 50 -7.871 5.428 -11.385 1.00 0.00 C ATOM 723 CD2 TRP A 50 -6.162 6.066 -10.127 1.00 0.00 C ATOM 724 NE1 TRP A 50 -7.935 4.711 -10.207 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.863 5.112 -9.418 1.00 0.00 C ATOM 726 CE3 TRP A 50 -5.011 6.674 -9.596 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -6.492 4.681 -8.138 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -4.654 6.233 -8.316 1.00 0.00 C ATOM 729 CH2 TRP A 50 -5.349 5.274 -7.589 1.00 0.00 C ATOM 0 H TRP A 50 -7.781 5.062 -14.487 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.047 7.220 -13.806 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -5.309 7.207 -12.590 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.677 8.239 -12.220 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.577 5.329 -12.196 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.639 4.015 -9.961 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.447 7.422 -10.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.057 3.932 -7.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.777 6.669 -7.862 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.009 4.988 -6.605 1.00 0.00 H new ATOM 740 N PRO A 51 -7.186 8.120 -15.981 1.00 0.00 N ATOM 741 CA PRO A 51 -6.690 8.863 -17.128 1.00 0.00 C ATOM 742 C PRO A 51 -6.326 10.296 -16.736 1.00 0.00 C ATOM 743 O PRO A 51 -6.309 10.636 -15.554 1.00 0.00 O ATOM 744 CB PRO A 51 -7.809 8.793 -18.154 1.00 0.00 C ATOM 745 CG PRO A 51 -9.062 8.417 -17.381 1.00 0.00 C ATOM 746 CD PRO A 51 -8.633 7.930 -16.006 1.00 0.00 C ATOM 0 HA PRO A 51 -5.768 8.446 -17.534 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.935 9.750 -18.660 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.588 8.053 -18.923 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.727 9.276 -17.291 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.615 7.639 -17.906 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.121 8.499 -15.214 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.898 6.883 -15.856 1.00 0.00 H new ATOM 754 N MET A 52 -6.044 11.100 -17.752 1.00 0.00 N ATOM 755 CA MET A 52 -5.682 12.489 -17.529 1.00 0.00 C ATOM 756 C MET A 52 -4.457 12.596 -16.619 1.00 0.00 C ATOM 757 O MET A 52 -3.887 11.583 -16.216 1.00 0.00 O ATOM 758 CB MET A 52 -6.859 13.228 -16.890 1.00 0.00 C ATOM 759 CG MET A 52 -7.255 14.450 -17.721 1.00 0.00 C ATOM 760 SD MET A 52 -8.735 15.190 -17.052 1.00 0.00 S ATOM 761 CE MET A 52 -9.120 16.346 -18.356 1.00 0.00 C ATOM 0 H MET A 52 -6.059 10.815 -18.731 1.00 0.00 H new ATOM 0 HA MET A 52 -5.438 12.940 -18.491 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.711 12.554 -16.800 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.592 13.541 -15.881 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.443 15.178 -17.722 1.00 0.00 H new ATOM 0 HG3 MET A 52 -7.422 14.157 -18.757 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.025 16.897 -18.098 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.292 17.045 -18.479 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.279 15.804 -19.288 1.00 0.00 H new ATOM 771 N ASP A 53 -4.087 13.833 -16.321 1.00 0.00 N ATOM 772 CA ASP A 53 -2.940 14.086 -15.466 1.00 0.00 C ATOM 773 C ASP A 53 -3.381 14.038 -14.001 1.00 0.00 C ATOM 774 O ASP A 53 -4.569 13.909 -13.711 1.00 0.00 O ATOM 775 CB ASP A 53 -2.347 15.471 -15.735 1.00 0.00 C ATOM 776 CG ASP A 53 -3.140 16.640 -15.149 1.00 0.00 C ATOM 777 OD1 ASP A 53 -4.351 16.713 -15.452 1.00 0.00 O ATOM 778 OD2 ASP A 53 -2.519 17.434 -14.411 1.00 0.00 O ATOM 0 H ASP A 53 -4.562 14.671 -16.657 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.189 13.325 -15.676 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.335 15.500 -15.332 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.265 15.611 -16.813 1.00 0.00 H new ATOM 783 N TRP A 54 -2.399 14.143 -13.117 1.00 0.00 N ATOM 784 CA TRP A 54 -2.671 14.113 -11.690 1.00 0.00 C ATOM 785 C TRP A 54 -2.663 15.554 -11.177 1.00 0.00 C ATOM 786 O TRP A 54 -2.397 16.486 -11.935 1.00 0.00 O ATOM 787 CB TRP A 54 -1.672 13.213 -10.961 1.00 0.00 C ATOM 788 CG TRP A 54 -1.713 11.750 -11.404 1.00 0.00 C ATOM 789 CD1 TRP A 54 -2.128 11.255 -12.578 1.00 0.00 C ATOM 790 CD2 TRP A 54 -1.306 10.604 -10.627 1.00 0.00 C ATOM 791 NE1 TRP A 54 -2.018 9.880 -12.615 1.00 0.00 N ATOM 792 CE2 TRP A 54 -1.502 9.471 -11.390 1.00 0.00 C ATOM 793 CE3 TRP A 54 -0.788 10.527 -9.322 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -1.208 8.180 -10.936 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -0.499 9.230 -8.883 1.00 0.00 C ATOM 796 CH2 TRP A 54 -0.691 8.079 -9.639 1.00 0.00 C ATOM 0 H TRP A 54 -1.414 14.249 -13.362 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.651 13.679 -11.493 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.666 13.602 -11.119 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.868 13.263 -9.890 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.502 11.857 -13.393 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.269 9.275 -13.397 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.626 11.400 -8.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.371 7.309 -11.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.099 9.115 -7.887 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.443 7.112 -9.228 1.00 0.00 H new ATOM 807 N GLU A 55 -2.958 15.693 -9.893 1.00 0.00 N ATOM 808 CA GLU A 55 -2.989 17.005 -9.269 1.00 0.00 C ATOM 809 C GLU A 55 -1.687 17.758 -9.553 1.00 0.00 C ATOM 810 O GLU A 55 -0.758 17.200 -10.135 1.00 0.00 O ATOM 811 CB GLU A 55 -3.240 16.891 -7.764 1.00 0.00 C ATOM 812 CG GLU A 55 -4.457 17.719 -7.347 1.00 0.00 C ATOM 813 CD GLU A 55 -4.039 19.120 -6.894 1.00 0.00 C ATOM 814 OE1 GLU A 55 -3.481 19.212 -5.779 1.00 0.00 O ATOM 815 OE2 GLU A 55 -4.286 20.065 -7.673 1.00 0.00 O ATOM 0 H GLU A 55 -3.178 14.918 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.815 17.571 -9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.397 15.846 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.360 17.231 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.153 17.796 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.985 17.214 -6.538 1.00 0.00 H new ATOM 822 N GLU A 56 -1.662 19.012 -9.128 1.00 0.00 N ATOM 823 CA GLU A 56 -0.489 19.847 -9.328 1.00 0.00 C ATOM 824 C GLU A 56 0.552 19.570 -8.242 1.00 0.00 C ATOM 825 O GLU A 56 0.310 18.777 -7.333 1.00 0.00 O ATOM 826 CB GLU A 56 -0.870 21.329 -9.359 1.00 0.00 C ATOM 827 CG GLU A 56 -1.298 21.813 -7.972 1.00 0.00 C ATOM 828 CD GLU A 56 -1.553 23.322 -7.974 1.00 0.00 C ATOM 829 OE1 GLU A 56 -2.203 23.787 -8.935 1.00 0.00 O ATOM 830 OE2 GLU A 56 -1.092 23.976 -7.014 1.00 0.00 O ATOM 0 H GLU A 56 -2.435 19.471 -8.646 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.051 19.598 -10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.023 21.919 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.682 21.485 -10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.202 21.288 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.524 21.572 -7.244 1.00 0.00 H new ATOM 837 N GLU A 57 1.687 20.240 -8.371 1.00 0.00 N ATOM 838 CA GLU A 57 2.766 20.077 -7.411 1.00 0.00 C ATOM 839 C GLU A 57 4.035 20.768 -7.915 1.00 0.00 C ATOM 840 O GLU A 57 4.002 21.478 -8.919 1.00 0.00 O ATOM 841 CB GLU A 57 3.025 18.597 -7.124 1.00 0.00 C ATOM 842 CG GLU A 57 2.640 18.241 -5.686 1.00 0.00 C ATOM 843 CD GLU A 57 3.278 19.213 -4.692 1.00 0.00 C ATOM 844 OE1 GLU A 57 4.509 19.402 -4.794 1.00 0.00 O ATOM 845 OE2 GLU A 57 2.520 19.744 -3.852 1.00 0.00 O ATOM 0 H GLU A 57 1.883 20.897 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 57 2.467 20.548 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.454 17.983 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.078 18.370 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.556 18.266 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.959 17.223 -5.461 1.00 0.00 H new ATOM 852 N GLN A 58 5.123 20.535 -7.195 1.00 0.00 N ATOM 853 CA GLN A 58 6.400 21.126 -7.557 1.00 0.00 C ATOM 854 C GLN A 58 7.491 20.665 -6.590 1.00 0.00 C ATOM 855 O GLN A 58 8.186 21.487 -5.995 1.00 0.00 O ATOM 856 CB GLN A 58 6.307 22.653 -7.592 1.00 0.00 C ATOM 857 CG GLN A 58 7.509 23.258 -8.319 1.00 0.00 C ATOM 858 CD GLN A 58 8.480 23.906 -7.329 1.00 0.00 C ATOM 859 OE1 GLN A 58 8.102 24.387 -6.274 1.00 0.00 O ATOM 860 NE2 GLN A 58 9.749 23.890 -7.727 1.00 0.00 N ATOM 0 H GLN A 58 5.146 19.945 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 58 6.664 20.788 -8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.386 22.954 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.259 23.042 -6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.025 22.482 -8.885 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.167 24.002 -9.038 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.997 23.471 -8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.474 24.297 -7.136 1.00 0.00 H new ATOM 869 N VAL A 59 7.608 19.351 -6.462 1.00 0.00 N ATOM 870 CA VAL A 59 8.603 18.771 -5.576 1.00 0.00 C ATOM 871 C VAL A 59 9.493 17.816 -6.373 1.00 0.00 C ATOM 872 O VAL A 59 9.143 17.414 -7.482 1.00 0.00 O ATOM 873 CB VAL A 59 7.916 18.095 -4.388 1.00 0.00 C ATOM 874 CG1 VAL A 59 7.357 19.135 -3.414 1.00 0.00 C ATOM 875 CG2 VAL A 59 6.817 17.141 -4.859 1.00 0.00 C ATOM 0 H VAL A 59 7.030 18.672 -6.957 1.00 0.00 H new ATOM 0 HA VAL A 59 9.246 19.548 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 59 8.666 17.507 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.874 18.628 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.170 19.757 -3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.628 19.761 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.345 16.674 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.069 17.698 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.252 16.370 -5.495 1.00 0.00 H new ATOM 885 N SER A 60 10.628 17.480 -5.778 1.00 0.00 N ATOM 886 CA SER A 60 11.572 16.580 -6.418 1.00 0.00 C ATOM 887 C SER A 60 12.285 15.732 -5.363 1.00 0.00 C ATOM 888 O SER A 60 13.381 16.075 -4.924 1.00 0.00 O ATOM 889 CB SER A 60 12.592 17.355 -7.255 1.00 0.00 C ATOM 890 OG SER A 60 12.080 18.611 -7.692 1.00 0.00 O ATOM 0 H SER A 60 10.915 17.815 -4.859 1.00 0.00 H new ATOM 0 HA SER A 60 11.017 15.923 -7.088 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.496 17.517 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.878 16.759 -8.122 1.00 0.00 H new ATOM 0 HG SER A 60 12.761 19.076 -8.222 1.00 0.00 H new ATOM 896 N SER A 61 11.634 14.641 -4.988 1.00 0.00 N ATOM 897 CA SER A 61 12.192 13.741 -3.993 1.00 0.00 C ATOM 898 C SER A 61 12.001 12.289 -4.434 1.00 0.00 C ATOM 899 O SER A 61 11.259 12.015 -5.376 1.00 0.00 O ATOM 900 CB SER A 61 11.550 13.969 -2.623 1.00 0.00 C ATOM 901 OG SER A 61 12.525 14.171 -1.603 1.00 0.00 O ATOM 0 H SER A 61 10.725 14.360 -5.355 1.00 0.00 H new ATOM 0 HA SER A 61 13.258 13.949 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.891 14.836 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.929 13.111 -2.366 1.00 0.00 H new ATOM 0 HG SER A 61 12.075 14.315 -0.744 1.00 0.00 H new ATOM 907 N PRO A 62 12.701 11.372 -3.713 1.00 0.00 N ATOM 908 CA PRO A 62 12.616 9.955 -4.021 1.00 0.00 C ATOM 909 C PRO A 62 11.287 9.369 -3.540 1.00 0.00 C ATOM 910 O PRO A 62 10.963 8.222 -3.847 1.00 0.00 O ATOM 911 CB PRO A 62 13.822 9.331 -3.339 1.00 0.00 C ATOM 912 CG PRO A 62 14.277 10.337 -2.295 1.00 0.00 C ATOM 913 CD PRO A 62 13.590 11.660 -2.591 1.00 0.00 C ATOM 0 HA PRO A 62 12.634 9.755 -5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.560 8.379 -2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.616 9.128 -4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 62 14.021 9.990 -1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 62 15.360 10.454 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.033 12.019 -1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.314 12.434 -2.847 1.00 0.00 H new ATOM 921 N ASN A 63 10.554 10.182 -2.794 1.00 0.00 N ATOM 922 CA ASN A 63 9.267 9.758 -2.268 1.00 0.00 C ATOM 923 C ASN A 63 8.226 9.793 -3.388 1.00 0.00 C ATOM 924 O ASN A 63 7.431 8.866 -3.531 1.00 0.00 O ATOM 925 CB ASN A 63 8.794 10.692 -1.153 1.00 0.00 C ATOM 926 CG ASN A 63 9.689 10.571 0.082 1.00 0.00 C ATOM 927 OD1 ASN A 63 10.644 11.494 0.151 1.00 0.00 O flip ATOM 928 ND2 ASN A 63 9.525 9.696 0.916 1.00 0.00 N flip ATOM 0 H ASN A 63 10.826 11.132 -2.541 1.00 0.00 H new ATOM 0 HA ASN A 63 9.381 8.750 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.799 11.722 -1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.765 10.452 -0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.772 9.018 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.141 9.642 1.727 1.00 0.00 H new ATOM 935 N ILE A 64 8.264 10.874 -4.154 1.00 0.00 N ATOM 936 CA ILE A 64 7.334 11.043 -5.257 1.00 0.00 C ATOM 937 C ILE A 64 7.676 10.044 -6.365 1.00 0.00 C ATOM 938 O ILE A 64 8.020 10.440 -7.478 1.00 0.00 O ATOM 939 CB ILE A 64 7.317 12.499 -5.726 1.00 0.00 C ATOM 940 CG1 ILE A 64 8.738 13.023 -5.939 1.00 0.00 C ATOM 941 CG2 ILE A 64 6.521 13.377 -4.758 1.00 0.00 C ATOM 942 CD1 ILE A 64 8.736 14.267 -6.830 1.00 0.00 C ATOM 0 H ILE A 64 8.925 11.641 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 64 6.316 10.825 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 64 6.811 12.542 -6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 64 9.190 13.262 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.351 12.246 -6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.524 14.407 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.494 13.016 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.977 13.334 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.759 14.619 -6.965 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.306 14.019 -7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.142 15.050 -6.360 1.00 0.00 H new ATOM 954 N LEU A 65 7.571 8.769 -6.021 1.00 0.00 N ATOM 955 CA LEU A 65 7.865 7.711 -6.972 1.00 0.00 C ATOM 956 C LEU A 65 7.945 6.374 -6.233 1.00 0.00 C ATOM 957 O LEU A 65 8.841 5.571 -6.490 1.00 0.00 O ATOM 958 CB LEU A 65 9.124 8.046 -7.775 1.00 0.00 C ATOM 959 CG LEU A 65 10.274 8.675 -6.986 1.00 0.00 C ATOM 960 CD1 LEU A 65 11.355 7.638 -6.672 1.00 0.00 C ATOM 961 CD2 LEU A 65 10.842 9.891 -7.721 1.00 0.00 C ATOM 0 H LEU A 65 7.286 8.445 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 65 7.062 7.624 -7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.488 7.131 -8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.847 8.726 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 65 9.881 9.029 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.161 8.111 -6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.924 6.832 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.751 7.232 -7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.658 10.319 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.215 9.584 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.058 10.637 -7.850 1.00 0.00 H new ATOM 973 N ARG A 66 6.997 6.176 -5.328 1.00 0.00 N ATOM 974 CA ARG A 66 6.950 4.950 -4.550 1.00 0.00 C ATOM 975 C ARG A 66 5.576 4.790 -3.896 1.00 0.00 C ATOM 976 O ARG A 66 4.710 5.652 -4.042 1.00 0.00 O ATOM 977 CB ARG A 66 8.027 4.946 -3.463 1.00 0.00 C ATOM 978 CG ARG A 66 9.182 4.016 -3.840 1.00 0.00 C ATOM 979 CD ARG A 66 10.365 4.196 -2.886 1.00 0.00 C ATOM 980 NE ARG A 66 11.638 4.007 -3.616 1.00 0.00 N ATOM 981 CZ ARG A 66 12.825 4.452 -3.184 1.00 0.00 C ATOM 982 NH1 ARG A 66 12.910 5.116 -2.023 1.00 0.00 N ATOM 983 NH2 ARG A 66 13.929 4.235 -3.913 1.00 0.00 N ATOM 0 H ARG A 66 6.256 6.844 -5.117 1.00 0.00 H new ATOM 0 HA ARG A 66 7.133 4.118 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.404 5.958 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.592 4.626 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.843 2.980 -3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.500 4.221 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.336 5.191 -2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.295 3.479 -2.068 1.00 0.00 H new ATOM 0 HE ARG A 66 11.610 3.506 -4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.071 5.283 -1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.814 5.455 -1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.865 3.731 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.833 4.574 -3.583 1.00 0.00 H new ATOM 997 N LEU A 67 5.418 3.680 -3.190 1.00 0.00 N ATOM 998 CA LEU A 67 4.164 3.395 -2.514 1.00 0.00 C ATOM 999 C LEU A 67 4.350 3.574 -1.006 1.00 0.00 C ATOM 1000 O LEU A 67 5.246 2.976 -0.413 1.00 0.00 O ATOM 1001 CB LEU A 67 3.644 2.011 -2.910 1.00 0.00 C ATOM 1002 CG LEU A 67 3.255 1.086 -1.755 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.000 1.594 -1.044 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.095 -0.357 -2.239 1.00 0.00 C ATOM 0 H LEU A 67 6.138 2.967 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 67 3.394 4.101 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.774 2.142 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.409 1.514 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 67 4.064 1.093 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.746 0.918 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.186 2.591 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.172 1.635 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.818 -0.994 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.316 -0.401 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.037 -0.705 -2.663 1.00 0.00 H new ATOM 1016 N ILE A 68 3.488 4.399 -0.430 1.00 0.00 N ATOM 1017 CA ILE A 68 3.547 4.664 0.998 1.00 0.00 C ATOM 1018 C ILE A 68 2.598 3.711 1.728 1.00 0.00 C ATOM 1019 O ILE A 68 1.495 3.445 1.256 1.00 0.00 O ATOM 1020 CB ILE A 68 3.271 6.142 1.280 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.432 7.017 0.803 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.952 6.368 2.759 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.081 7.728 -0.506 1.00 0.00 C ATOM 0 H ILE A 68 2.745 4.892 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 68 4.549 4.472 1.381 1.00 0.00 H new ATOM 0 HB ILE A 68 2.389 6.439 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.674 7.755 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.321 6.402 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.760 7.427 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.070 5.790 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.799 6.049 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.923 8.343 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.863 6.987 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.207 8.361 -0.353 1.00 0.00 H new ATOM 1035 N TYR A 69 3.064 3.223 2.869 1.00 0.00 N ATOM 1036 CA TYR A 69 2.271 2.306 3.669 1.00 0.00 C ATOM 1037 C TYR A 69 2.464 2.574 5.163 1.00 0.00 C ATOM 1038 O TYR A 69 3.563 2.407 5.691 1.00 0.00 O ATOM 1039 CB TYR A 69 2.791 0.904 3.344 1.00 0.00 C ATOM 1040 CG TYR A 69 2.176 -0.203 4.201 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.926 -0.029 4.760 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.870 -1.376 4.416 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.346 -1.071 5.567 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.291 -2.418 5.224 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.058 -2.214 5.759 1.00 0.00 C ATOM 1046 OH TYR A 69 0.510 -3.199 6.522 1.00 0.00 O ATOM 0 H TYR A 69 3.980 3.446 3.258 1.00 0.00 H new ATOM 0 HA TYR A 69 1.210 2.421 3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.593 0.689 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.873 0.890 3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.383 0.889 4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.848 -1.513 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.631 -0.948 6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.824 -3.340 5.401 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.466 -3.168 6.444 1.00 0.00 H new ATOM 1056 N GLN A 70 1.379 2.984 5.803 1.00 0.00 N ATOM 1057 CA GLN A 70 1.415 3.277 7.226 1.00 0.00 C ATOM 1058 C GLN A 70 2.238 4.540 7.487 1.00 0.00 C ATOM 1059 O GLN A 70 2.496 4.891 8.638 1.00 0.00 O ATOM 1060 CB GLN A 70 1.968 2.089 8.016 1.00 0.00 C ATOM 1061 CG GLN A 70 0.841 1.316 8.704 1.00 0.00 C ATOM 1062 CD GLN A 70 1.234 0.927 10.131 1.00 0.00 C ATOM 1063 OE1 GLN A 70 2.360 1.112 10.564 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.248 0.378 10.833 1.00 0.00 N ATOM 0 H GLN A 70 0.469 3.120 5.362 1.00 0.00 H new ATOM 0 HA GLN A 70 0.395 3.455 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.513 1.424 7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.679 2.443 8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.062 1.925 8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.607 0.419 8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.671 0.252 10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.410 0.083 11.796 1.00 0.00 H new ATOM 1073 N GLY A 71 2.629 5.189 6.400 1.00 0.00 N ATOM 1074 CA GLY A 71 3.417 6.406 6.497 1.00 0.00 C ATOM 1075 C GLY A 71 4.751 6.254 5.764 1.00 0.00 C ATOM 1076 O GLY A 71 5.184 7.165 5.060 1.00 0.00 O ATOM 0 H GLY A 71 2.415 4.895 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.858 7.240 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.599 6.643 7.545 1.00 0.00 H new ATOM 1080 N ARG A 72 5.366 5.096 5.954 1.00 0.00 N ATOM 1081 CA ARG A 72 6.643 4.814 5.319 1.00 0.00 C ATOM 1082 C ARG A 72 6.432 4.415 3.857 1.00 0.00 C ATOM 1083 O ARG A 72 5.296 4.313 3.396 1.00 0.00 O ATOM 1084 CB ARG A 72 7.382 3.688 6.046 1.00 0.00 C ATOM 1085 CG ARG A 72 6.826 2.320 5.647 1.00 0.00 C ATOM 1086 CD ARG A 72 7.139 1.269 6.714 1.00 0.00 C ATOM 1087 NE ARG A 72 7.054 -0.088 6.129 1.00 0.00 N ATOM 1088 CZ ARG A 72 7.056 -1.218 6.848 1.00 0.00 C ATOM 1089 NH1 ARG A 72 7.138 -1.162 8.184 1.00 0.00 N ATOM 1090 NH2 ARG A 72 6.975 -2.405 6.231 1.00 0.00 N ATOM 0 H ARG A 72 5.004 4.342 6.538 1.00 0.00 H new ATOM 0 HA ARG A 72 7.246 5.721 5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.445 3.735 5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.288 3.823 7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.748 2.389 5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.254 2.014 4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.137 1.437 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.438 1.361 7.543 1.00 0.00 H new ATOM 0 HE ARG A 72 6.990 -0.168 5.114 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.199 -0.259 8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.139 -2.023 8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.912 -2.448 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.977 -3.266 6.779 1.00 0.00 H new ATOM 1104 N PHE A 73 7.544 4.201 3.170 1.00 0.00 N ATOM 1105 CA PHE A 73 7.495 3.815 1.769 1.00 0.00 C ATOM 1106 C PHE A 73 7.974 2.375 1.580 1.00 0.00 C ATOM 1107 O PHE A 73 8.780 1.877 2.364 1.00 0.00 O ATOM 1108 CB PHE A 73 8.435 4.756 1.014 1.00 0.00 C ATOM 1109 CG PHE A 73 7.965 6.212 0.981 1.00 0.00 C ATOM 1110 CD1 PHE A 73 7.837 6.912 2.140 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.673 6.806 -0.208 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.400 8.263 2.109 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.237 8.157 -0.238 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.109 8.857 0.921 1.00 0.00 C ATOM 0 H PHE A 73 8.484 4.287 3.556 1.00 0.00 H new ATOM 0 HA PHE A 73 6.471 3.880 1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.422 4.714 1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.546 4.398 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.068 6.441 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.773 6.250 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.299 8.819 3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.007 8.629 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.776 9.884 0.898 1.00 0.00 H new ATOM 1124 N LEU A 74 7.457 1.746 0.534 1.00 0.00 N ATOM 1125 CA LEU A 74 7.822 0.372 0.232 1.00 0.00 C ATOM 1126 C LEU A 74 8.759 0.353 -0.978 1.00 0.00 C ATOM 1127 O LEU A 74 8.670 1.214 -1.851 1.00 0.00 O ATOM 1128 CB LEU A 74 6.569 -0.488 0.053 1.00 0.00 C ATOM 1129 CG LEU A 74 5.622 -0.550 1.253 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.404 -1.423 0.945 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.359 -1.018 2.510 1.00 0.00 C ATOM 0 H LEU A 74 6.789 2.162 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 74 8.367 -0.070 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.013 -0.110 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.881 -1.503 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 74 5.255 0.457 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.747 -1.450 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.864 -1.007 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.732 -2.435 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.663 -1.053 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.773 -2.012 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.167 -0.323 2.738 1.00 0.00 H new ATOM 1143 N HIS A 75 9.637 -0.640 -0.990 1.00 0.00 N ATOM 1144 CA HIS A 75 10.589 -0.783 -2.078 1.00 0.00 C ATOM 1145 C HIS A 75 9.850 -1.177 -3.358 1.00 0.00 C ATOM 1146 O HIS A 75 8.724 -1.669 -3.303 1.00 0.00 O ATOM 1147 CB HIS A 75 11.696 -1.771 -1.704 1.00 0.00 C ATOM 1148 CG HIS A 75 13.085 -1.304 -2.069 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.732 -1.708 -3.224 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.942 -0.464 -1.421 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.924 -1.131 -3.259 1.00 0.00 C ATOM 1152 NE2 HIS A 75 15.053 -0.361 -2.141 1.00 0.00 N ATOM 0 H HIS A 75 9.709 -1.353 -0.264 1.00 0.00 H new ATOM 0 HA HIS A 75 11.081 0.172 -2.264 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.656 -1.956 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.502 -2.723 -2.199 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.750 0.033 -0.482 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.664 -1.250 -4.037 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.868 0.201 -1.898 1.00 0.00 H new ATOM 1160 N GLY A 76 10.515 -0.947 -4.481 1.00 0.00 N ATOM 1161 CA GLY A 76 9.935 -1.272 -5.774 1.00 0.00 C ATOM 1162 C GLY A 76 10.023 -2.774 -6.052 1.00 0.00 C ATOM 1163 O GLY A 76 9.229 -3.314 -6.821 1.00 0.00 O ATOM 0 H GLY A 76 11.449 -0.540 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.893 -0.954 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.455 -0.722 -6.558 1.00 0.00 H new ATOM 1167 N ASN A 77 10.995 -3.406 -5.411 1.00 0.00 N ATOM 1168 CA ASN A 77 11.197 -4.835 -5.580 1.00 0.00 C ATOM 1169 C ASN A 77 10.345 -5.591 -4.558 1.00 0.00 C ATOM 1170 O ASN A 77 10.035 -6.765 -4.750 1.00 0.00 O ATOM 1171 CB ASN A 77 12.660 -5.216 -5.350 1.00 0.00 C ATOM 1172 CG ASN A 77 13.241 -5.929 -6.573 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.544 -6.266 -7.516 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.552 -6.138 -6.505 1.00 0.00 N ATOM 0 H ASN A 77 11.651 -2.955 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 77 10.912 -5.097 -6.599 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.243 -4.320 -5.136 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.738 -5.863 -4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.034 -6.606 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.076 -5.830 -5.686 1.00 0.00 H new ATOM 1181 N VAL A 78 9.992 -4.885 -3.493 1.00 0.00 N ATOM 1182 CA VAL A 78 9.182 -5.474 -2.440 1.00 0.00 C ATOM 1183 C VAL A 78 7.916 -6.078 -3.053 1.00 0.00 C ATOM 1184 O VAL A 78 7.417 -5.587 -4.064 1.00 0.00 O ATOM 1185 CB VAL A 78 8.885 -4.430 -1.362 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.635 -4.807 -0.564 1.00 0.00 C ATOM 1187 CG2 VAL A 78 10.089 -4.239 -0.438 1.00 0.00 C ATOM 0 H VAL A 78 10.252 -3.911 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 78 9.723 -6.283 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 78 8.691 -3.480 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.446 -4.049 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.779 -4.869 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.788 -5.773 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.852 -3.492 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.328 -5.185 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.946 -3.904 -1.022 1.00 0.00 H new ATOM 1197 N THR A 79 7.434 -7.134 -2.415 1.00 0.00 N ATOM 1198 CA THR A 79 6.236 -7.809 -2.884 1.00 0.00 C ATOM 1199 C THR A 79 5.344 -8.196 -1.703 1.00 0.00 C ATOM 1200 O THR A 79 5.836 -8.658 -0.675 1.00 0.00 O ATOM 1201 CB THR A 79 6.670 -9.004 -3.735 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.432 -9.809 -2.840 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.668 -8.614 -4.827 1.00 0.00 C ATOM 0 H THR A 79 7.851 -7.539 -1.577 1.00 0.00 H new ATOM 0 HA THR A 79 5.629 -7.151 -3.506 1.00 0.00 H new ATOM 0 HB THR A 79 5.793 -9.461 -4.192 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.752 -10.608 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.943 -9.499 -5.401 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.213 -7.878 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.560 -8.187 -4.369 1.00 0.00 H new ATOM 1211 N LEU A 80 4.048 -7.993 -1.890 1.00 0.00 N ATOM 1212 CA LEU A 80 3.083 -8.314 -0.852 1.00 0.00 C ATOM 1213 C LEU A 80 3.490 -9.622 -0.171 1.00 0.00 C ATOM 1214 O LEU A 80 3.366 -9.758 1.045 1.00 0.00 O ATOM 1215 CB LEU A 80 1.665 -8.336 -1.427 1.00 0.00 C ATOM 1216 CG LEU A 80 1.027 -6.971 -1.691 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.230 -7.110 -2.552 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.745 -6.235 -0.379 1.00 0.00 C ATOM 0 H LEU A 80 3.644 -7.610 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 80 3.079 -7.541 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.683 -8.894 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.024 -8.888 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 80 1.737 -6.365 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.664 -6.125 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.032 -7.564 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.955 -7.741 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.292 -5.268 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.063 -6.827 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.679 -6.085 0.162 1.00 0.00 H new ATOM 1230 N GLY A 81 3.969 -10.552 -0.984 1.00 0.00 N ATOM 1231 CA GLY A 81 4.395 -11.844 -0.475 1.00 0.00 C ATOM 1232 C GLY A 81 5.425 -11.680 0.645 1.00 0.00 C ATOM 1233 O GLY A 81 5.299 -12.292 1.704 1.00 0.00 O ATOM 0 H GLY A 81 4.071 -10.436 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.531 -12.395 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.824 -12.434 -1.285 1.00 0.00 H new ATOM 1237 N ALA A 82 6.421 -10.850 0.371 1.00 0.00 N ATOM 1238 CA ALA A 82 7.472 -10.598 1.343 1.00 0.00 C ATOM 1239 C ALA A 82 6.887 -9.839 2.536 1.00 0.00 C ATOM 1240 O ALA A 82 7.438 -9.883 3.634 1.00 0.00 O ATOM 1241 CB ALA A 82 8.616 -9.835 0.671 1.00 0.00 C ATOM 0 H ALA A 82 6.523 -10.344 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 82 7.881 -11.536 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.404 -9.646 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.016 -10.429 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.243 -8.886 0.285 1.00 0.00 H new ATOM 1247 N LEU A 83 5.778 -9.162 2.279 1.00 0.00 N ATOM 1248 CA LEU A 83 5.112 -8.395 3.318 1.00 0.00 C ATOM 1249 C LEU A 83 4.213 -9.325 4.135 1.00 0.00 C ATOM 1250 O LEU A 83 3.536 -8.883 5.062 1.00 0.00 O ATOM 1251 CB LEU A 83 4.372 -7.200 2.711 1.00 0.00 C ATOM 1252 CG LEU A 83 5.241 -6.176 1.979 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.384 -5.055 1.386 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.340 -5.634 2.894 1.00 0.00 C ATOM 0 H LEU A 83 5.324 -9.128 1.366 1.00 0.00 H new ATOM 0 HA LEU A 83 5.843 -7.971 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.624 -7.577 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.835 -6.687 3.509 1.00 0.00 H new ATOM 0 HG LEU A 83 5.735 -6.679 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.026 -4.340 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.671 -5.478 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.844 -4.548 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.943 -4.908 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.887 -5.152 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.974 -6.456 3.227 1.00 0.00 H new ATOM 1266 N LYS A 84 4.234 -10.595 3.760 1.00 0.00 N ATOM 1267 CA LYS A 84 3.429 -11.591 4.447 1.00 0.00 C ATOM 1268 C LYS A 84 2.147 -10.936 4.965 1.00 0.00 C ATOM 1269 O LYS A 84 1.723 -11.197 6.090 1.00 0.00 O ATOM 1270 CB LYS A 84 4.249 -12.285 5.537 1.00 0.00 C ATOM 1271 CG LYS A 84 4.975 -11.261 6.412 1.00 0.00 C ATOM 1272 CD LYS A 84 4.029 -10.665 7.457 1.00 0.00 C ATOM 1273 CE LYS A 84 4.809 -10.132 8.661 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.883 -9.758 9.753 1.00 0.00 N ATOM 0 H LYS A 84 4.795 -10.958 2.990 1.00 0.00 H new ATOM 0 HA LYS A 84 3.128 -12.379 3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.593 -12.898 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.975 -12.957 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.820 -11.737 6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.380 -10.465 5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.448 -9.859 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.319 -11.424 7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.509 -10.890 9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.400 -9.266 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.428 -9.398 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.232 -9.019 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.337 -10.593 10.047 1.00 0.00 H new ATOM 1288 N LEU A 85 1.566 -10.097 4.120 1.00 0.00 N ATOM 1289 CA LEU A 85 0.342 -9.402 4.479 1.00 0.00 C ATOM 1290 C LEU A 85 -0.804 -10.412 4.571 1.00 0.00 C ATOM 1291 O LEU A 85 -0.798 -11.428 3.878 1.00 0.00 O ATOM 1292 CB LEU A 85 0.072 -8.253 3.504 1.00 0.00 C ATOM 1293 CG LEU A 85 0.050 -6.850 4.112 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.160 -6.685 5.152 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.122 -5.779 3.022 1.00 0.00 C ATOM 0 H LEU A 85 1.920 -9.883 3.188 1.00 0.00 H new ATOM 0 HA LEU A 85 0.440 -8.940 5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.833 -8.278 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.887 -8.432 3.019 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.899 -6.718 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.122 -5.678 5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.022 -7.414 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.129 -6.845 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.105 -4.791 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.045 -5.899 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.732 -5.883 2.353 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.785 -10.089 5.455 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.936 -10.955 5.647 1.00 0.00 C ATOM 1309 C PRO A 86 -3.909 -10.842 4.472 1.00 0.00 C ATOM 1310 O PRO A 86 -4.253 -9.739 4.050 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.545 -10.515 6.968 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.995 -9.123 7.236 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.826 -8.893 6.293 1.00 0.00 C ATOM 0 HA PRO A 86 -2.667 -12.011 5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.633 -10.501 6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.277 -11.202 7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.767 -8.370 7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.672 -9.034 8.273 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.972 -7.994 5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.894 -8.762 6.842 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.327 -11.998 3.978 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.254 -12.043 2.860 1.00 0.00 C ATOM 1323 C PHE A 87 -6.685 -11.764 3.324 1.00 0.00 C ATOM 1324 O PHE A 87 -6.934 -11.597 4.517 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.185 -13.456 2.278 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.814 -13.829 1.710 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.104 -12.917 0.994 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.307 -15.073 1.921 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.831 -13.264 0.468 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.034 -15.420 1.395 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.323 -14.507 0.679 1.00 0.00 C ATOM 0 H PHE A 87 -4.041 -12.911 4.332 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.985 -11.286 2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.452 -14.172 3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.931 -13.550 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.508 -11.930 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.872 -15.797 2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.266 -12.540 -0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.631 -16.408 1.563 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.355 -14.770 0.278 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.590 -11.724 2.356 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.989 -11.468 2.650 1.00 0.00 C ATOM 1343 C GLY A 88 -9.138 -10.334 3.666 1.00 0.00 C ATOM 1344 O GLY A 88 -10.128 -10.274 4.394 1.00 0.00 O ATOM 0 H GLY A 88 -7.381 -11.865 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.516 -11.209 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.454 -12.374 3.040 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.140 -9.463 3.682 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.148 -8.334 4.597 1.00 0.00 C ATOM 1350 C LYS A 89 -8.047 -7.034 3.797 1.00 0.00 C ATOM 1351 O LYS A 89 -7.953 -7.061 2.570 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.052 -8.492 5.653 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.495 -9.446 6.764 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.721 -8.692 8.076 1.00 0.00 C ATOM 1355 CE LYS A 89 -7.181 -9.487 9.266 1.00 0.00 C ATOM 1356 NZ LYS A 89 -7.384 -8.738 10.526 1.00 0.00 N ATOM 0 H LYS A 89 -7.321 -9.516 3.077 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.087 -8.298 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.143 -8.870 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.810 -7.519 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.414 -9.952 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.739 -10.217 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.229 -7.720 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.786 -8.504 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.685 -10.452 9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.119 -9.690 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.012 -9.292 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.883 -7.828 10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.400 -8.567 10.668 1.00 0.00 H new ATOM 1370 N THR A 90 -8.069 -5.926 4.523 1.00 0.00 N ATOM 1371 CA THR A 90 -7.981 -4.618 3.896 1.00 0.00 C ATOM 1372 C THR A 90 -6.770 -3.851 4.429 1.00 0.00 C ATOM 1373 O THR A 90 -6.585 -3.740 5.640 1.00 0.00 O ATOM 1374 CB THR A 90 -9.309 -3.893 4.125 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.239 -4.607 3.316 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.313 -2.479 3.540 1.00 0.00 C ATOM 0 H THR A 90 -8.147 -5.907 5.540 1.00 0.00 H new ATOM 0 HA THR A 90 -7.823 -4.705 2.821 1.00 0.00 H new ATOM 0 HB THR A 90 -9.515 -3.843 5.194 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.128 -4.204 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.278 -2.009 3.730 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.524 -1.890 4.007 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.140 -2.529 2.465 1.00 0.00 H new ATOM 1384 N THR A 91 -5.975 -3.341 3.499 1.00 0.00 N ATOM 1385 CA THR A 91 -4.787 -2.588 3.861 1.00 0.00 C ATOM 1386 C THR A 91 -4.872 -1.162 3.312 1.00 0.00 C ATOM 1387 O THR A 91 -5.474 -0.931 2.265 1.00 0.00 O ATOM 1388 CB THR A 91 -3.566 -3.361 3.358 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.467 -4.470 4.247 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.259 -2.595 3.572 1.00 0.00 C ATOM 0 H THR A 91 -6.131 -3.435 2.495 1.00 0.00 H new ATOM 0 HA THR A 91 -4.700 -2.482 4.942 1.00 0.00 H new ATOM 0 HB THR A 91 -3.688 -3.582 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.701 -5.026 3.992 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.424 -3.188 3.198 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.301 -1.647 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.120 -2.403 4.636 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.259 -0.243 4.043 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.257 1.153 3.642 1.00 0.00 C ATOM 1400 C VAL A 92 -2.861 1.536 3.146 1.00 0.00 C ATOM 1401 O VAL A 92 -1.865 1.269 3.817 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.741 2.030 4.799 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.621 3.515 4.449 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.176 1.674 5.194 1.00 0.00 C ATOM 0 H VAL A 92 -3.760 -0.438 4.911 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.950 1.314 2.816 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.099 1.835 5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.971 4.116 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.579 3.756 4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.227 3.732 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.495 2.312 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.837 1.826 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.219 0.630 5.505 1.00 0.00 H new ATOM 1414 N MET A 93 -2.833 2.154 1.975 1.00 0.00 N ATOM 1415 CA MET A 93 -1.576 2.576 1.381 1.00 0.00 C ATOM 1416 C MET A 93 -1.778 3.792 0.475 1.00 0.00 C ATOM 1417 O MET A 93 -2.772 3.876 -0.245 1.00 0.00 O ATOM 1418 CB MET A 93 -0.985 1.424 0.566 1.00 0.00 C ATOM 1419 CG MET A 93 -0.531 0.283 1.478 1.00 0.00 C ATOM 1420 SD MET A 93 0.847 -0.578 0.740 1.00 0.00 S ATOM 1421 CE MET A 93 0.953 -1.987 1.831 1.00 0.00 C ATOM 0 H MET A 93 -3.661 2.373 1.421 1.00 0.00 H new ATOM 0 HA MET A 93 -0.892 2.854 2.183 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.728 1.055 -0.141 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.139 1.785 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.244 0.678 2.453 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.356 -0.410 1.645 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.993 -2.152 2.113 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.360 -1.799 2.726 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.571 -2.871 1.321 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.820 4.704 0.540 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.880 5.912 -0.266 1.00 0.00 C ATOM 1433 C HIS A 94 -0.007 5.743 -1.510 1.00 0.00 C ATOM 1434 O HIS A 94 1.220 5.740 -1.417 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.497 7.139 0.565 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.476 7.464 1.668 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.000 6.501 2.513 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.018 8.653 2.056 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.821 7.095 3.366 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -2.831 8.429 3.081 1.00 0.00 N ATOM 0 H HIS A 94 0.003 4.631 1.138 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.903 6.078 -0.603 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.487 6.975 1.004 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.412 8.001 -0.097 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.820 9.614 1.606 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.384 6.609 4.149 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.374 9.138 3.574 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.674 5.605 -2.647 1.00 0.00 N ATOM 1449 CA LEU A 95 0.026 5.436 -3.909 1.00 0.00 C ATOM 1450 C LEU A 95 0.290 6.809 -4.530 1.00 0.00 C ATOM 1451 O LEU A 95 -0.543 7.709 -4.430 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.745 4.484 -4.826 1.00 0.00 C ATOM 1453 CG LEU A 95 -0.358 4.518 -6.306 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.963 5.737 -7.004 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.161 4.455 -6.476 1.00 0.00 C ATOM 0 H LEU A 95 -1.691 5.607 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 95 0.997 4.968 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.608 3.467 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.808 4.713 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.773 3.633 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.672 5.736 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.050 5.697 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.599 6.647 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.410 4.481 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.619 5.308 -5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.538 3.531 -6.037 1.00 0.00 H new ATOM 1467 N VAL A 96 1.451 6.927 -5.156 1.00 0.00 N ATOM 1468 CA VAL A 96 1.835 8.175 -5.793 1.00 0.00 C ATOM 1469 C VAL A 96 2.854 7.887 -6.898 1.00 0.00 C ATOM 1470 O VAL A 96 3.746 7.059 -6.724 1.00 0.00 O ATOM 1471 CB VAL A 96 2.354 9.160 -4.743 1.00 0.00 C ATOM 1472 CG1 VAL A 96 1.219 9.648 -3.841 1.00 0.00 C ATOM 1473 CG2 VAL A 96 3.482 8.538 -3.918 1.00 0.00 C ATOM 0 H VAL A 96 2.139 6.178 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 96 0.971 8.646 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 96 2.761 10.025 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.615 10.347 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.463 10.149 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.769 8.797 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.833 9.259 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.112 7.648 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.306 8.264 -4.577 1.00 0.00 H new ATOM 1483 N ALA A 97 2.686 8.587 -8.010 1.00 0.00 N ATOM 1484 CA ALA A 97 3.580 8.417 -9.143 1.00 0.00 C ATOM 1485 C ALA A 97 4.074 9.789 -9.608 1.00 0.00 C ATOM 1486 O ALA A 97 3.336 10.533 -10.252 1.00 0.00 O ATOM 1487 CB ALA A 97 2.857 7.651 -10.253 1.00 0.00 C ATOM 0 H ALA A 97 1.944 9.273 -8.151 1.00 0.00 H new ATOM 0 HA ALA A 97 4.454 7.831 -8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.527 7.523 -11.103 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.552 6.673 -9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.976 8.211 -10.567 1.00 0.00 H new ATOM 1493 N ARG A 98 5.319 10.082 -9.263 1.00 0.00 N ATOM 1494 CA ARG A 98 5.920 11.351 -9.637 1.00 0.00 C ATOM 1495 C ARG A 98 5.013 12.511 -9.223 1.00 0.00 C ATOM 1496 O ARG A 98 3.904 12.293 -8.735 1.00 0.00 O ATOM 1497 CB ARG A 98 6.168 11.420 -11.145 1.00 0.00 C ATOM 1498 CG ARG A 98 7.633 11.129 -11.474 1.00 0.00 C ATOM 1499 CD ARG A 98 8.147 12.069 -12.566 1.00 0.00 C ATOM 1500 NE ARG A 98 9.401 11.536 -13.144 1.00 0.00 N ATOM 1501 CZ ARG A 98 10.591 11.583 -12.530 1.00 0.00 C ATOM 1502 NH1 ARG A 98 10.696 12.139 -11.315 1.00 0.00 N ATOM 1503 NH2 ARG A 98 11.676 11.074 -13.130 1.00 0.00 N ATOM 0 H ARG A 98 5.928 9.463 -8.729 1.00 0.00 H new ATOM 0 HA ARG A 98 6.876 11.430 -9.119 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.527 10.701 -11.656 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.898 12.408 -11.517 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.240 11.242 -10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.737 10.094 -11.801 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.395 12.178 -13.347 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.321 13.061 -12.150 1.00 0.00 H new ATOM 0 HE ARG A 98 9.356 11.106 -14.068 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.870 12.526 -10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.602 12.175 -10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.596 10.651 -14.055 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.582 11.110 -12.662 1.00 0.00 H new ATOM 1517 N GLU A 99 5.516 13.718 -9.432 1.00 0.00 N ATOM 1518 CA GLU A 99 4.765 14.913 -9.086 1.00 0.00 C ATOM 1519 C GLU A 99 4.267 15.612 -10.352 1.00 0.00 C ATOM 1520 O GLU A 99 3.343 16.422 -10.296 1.00 0.00 O ATOM 1521 CB GLU A 99 5.607 15.862 -8.231 1.00 0.00 C ATOM 1522 CG GLU A 99 6.836 16.348 -9.000 1.00 0.00 C ATOM 1523 CD GLU A 99 6.830 17.872 -9.136 1.00 0.00 C ATOM 1524 OE1 GLU A 99 5.720 18.443 -9.076 1.00 0.00 O ATOM 1525 OE2 GLU A 99 7.936 18.432 -9.296 1.00 0.00 O ATOM 0 H GLU A 99 6.435 13.895 -9.837 1.00 0.00 H new ATOM 0 HA GLU A 99 3.899 14.615 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.002 16.717 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.921 15.354 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.742 16.029 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.855 15.891 -9.989 1.00 0.00 H new ATOM 1532 N THR A 100 4.901 15.272 -11.465 1.00 0.00 N ATOM 1533 CA THR A 100 4.534 15.858 -12.744 1.00 0.00 C ATOM 1534 C THR A 100 4.152 14.762 -13.741 1.00 0.00 C ATOM 1535 O THR A 100 4.874 13.778 -13.894 1.00 0.00 O ATOM 1536 CB THR A 100 5.698 16.731 -13.216 1.00 0.00 C ATOM 1537 OG1 THR A 100 6.852 15.930 -12.977 1.00 0.00 O ATOM 1538 CG2 THR A 100 5.906 17.959 -12.327 1.00 0.00 C ATOM 0 H THR A 100 5.666 14.599 -11.508 1.00 0.00 H new ATOM 0 HA THR A 100 3.652 16.492 -12.651 1.00 0.00 H new ATOM 0 HB THR A 100 5.519 17.052 -14.242 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.654 16.420 -13.257 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.744 18.545 -12.706 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.004 18.570 -12.334 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.119 17.638 -11.307 1.00 0.00 H new ATOM 1546 N LEU A 101 3.018 14.971 -14.395 1.00 0.00 N ATOM 1547 CA LEU A 101 2.532 14.013 -15.374 1.00 0.00 C ATOM 1548 C LEU A 101 3.707 13.506 -16.212 1.00 0.00 C ATOM 1549 O LEU A 101 4.734 14.176 -16.318 1.00 0.00 O ATOM 1550 CB LEU A 101 1.402 14.624 -16.205 1.00 0.00 C ATOM 1551 CG LEU A 101 1.796 15.781 -17.125 1.00 0.00 C ATOM 1552 CD1 LEU A 101 2.607 15.279 -18.321 1.00 0.00 C ATOM 1553 CD2 LEU A 101 0.565 16.578 -17.561 1.00 0.00 C ATOM 0 H LEU A 101 2.422 15.789 -14.266 1.00 0.00 H new ATOM 0 HA LEU A 101 2.098 13.146 -14.876 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.959 13.836 -16.814 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.626 14.975 -15.525 1.00 0.00 H new ATOM 0 HG LEU A 101 2.437 16.460 -16.564 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.874 16.122 -18.959 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.514 14.791 -17.966 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.011 14.567 -18.892 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.873 17.395 -18.214 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.121 15.923 -18.098 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.065 16.985 -16.682 1.00 0.00 H new ATOM 1565 N PRO A 102 3.513 12.296 -16.802 1.00 0.00 N ATOM 1566 CA PRO A 102 4.545 11.692 -17.628 1.00 0.00 C ATOM 1567 C PRO A 102 4.630 12.381 -18.991 1.00 0.00 C ATOM 1568 O PRO A 102 3.863 12.065 -19.899 1.00 0.00 O ATOM 1569 CB PRO A 102 4.160 10.225 -17.727 1.00 0.00 C ATOM 1570 CG PRO A 102 2.690 10.153 -17.346 1.00 0.00 C ATOM 1571 CD PRO A 102 2.311 11.474 -16.698 1.00 0.00 C ATOM 0 HA PRO A 102 5.542 11.801 -17.202 1.00 0.00 H new ATOM 0 HB2 PRO A 102 4.321 9.846 -18.736 1.00 0.00 H new ATOM 0 HB3 PRO A 102 4.767 9.616 -17.057 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.076 9.970 -18.228 1.00 0.00 H new ATOM 0 HG3 PRO A 102 2.514 9.326 -16.658 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.468 11.939 -17.210 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.015 11.335 -15.658 1.00 0.00 H new ATOM 1579 N GLU A 103 5.569 13.310 -19.091 1.00 0.00 N ATOM 1580 CA GLU A 103 5.764 14.047 -20.328 1.00 0.00 C ATOM 1581 C GLU A 103 5.784 13.087 -21.520 1.00 0.00 C ATOM 1582 O GLU A 103 6.066 11.901 -21.361 1.00 0.00 O ATOM 1583 CB GLU A 103 7.046 14.880 -20.274 1.00 0.00 C ATOM 1584 CG GLU A 103 6.942 15.979 -19.215 1.00 0.00 C ATOM 1585 CD GLU A 103 7.116 17.363 -19.843 1.00 0.00 C ATOM 1586 OE1 GLU A 103 8.091 17.520 -20.610 1.00 0.00 O ATOM 1587 OE2 GLU A 103 6.272 18.234 -19.541 1.00 0.00 O ATOM 0 H GLU A 103 6.203 13.569 -18.336 1.00 0.00 H new ATOM 0 HA GLU A 103 4.928 14.735 -20.454 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.895 14.234 -20.050 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.235 15.327 -21.250 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.973 15.920 -18.718 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.703 15.825 -18.450 1.00 0.00 H new ATOM 1594 N PRO A 104 5.472 13.652 -22.717 1.00 0.00 N ATOM 1595 CA PRO A 104 5.451 12.860 -23.935 1.00 0.00 C ATOM 1596 C PRO A 104 6.871 12.550 -24.412 1.00 0.00 C ATOM 1597 O PRO A 104 7.342 13.129 -25.390 1.00 0.00 O ATOM 1598 CB PRO A 104 4.658 13.690 -24.931 1.00 0.00 C ATOM 1599 CG PRO A 104 4.662 15.110 -24.387 1.00 0.00 C ATOM 1600 CD PRO A 104 5.132 15.054 -22.943 1.00 0.00 C ATOM 0 HA PRO A 104 4.988 11.883 -23.793 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.111 13.650 -25.921 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.640 13.313 -25.031 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.322 15.744 -24.979 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.664 15.545 -24.447 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.994 15.701 -22.782 1.00 0.00 H new ATOM 0 HD3 PRO A 104 4.351 15.387 -22.259 1.00 0.00 H new ATOM 1608 N ASN A 105 7.514 11.636 -23.699 1.00 0.00 N ATOM 1609 CA ASN A 105 8.871 11.242 -24.038 1.00 0.00 C ATOM 1610 C ASN A 105 9.012 9.727 -23.880 1.00 0.00 C ATOM 1611 O ASN A 105 9.231 9.231 -22.776 1.00 0.00 O ATOM 1612 CB ASN A 105 9.886 11.910 -23.108 1.00 0.00 C ATOM 1613 CG ASN A 105 11.014 12.566 -23.908 1.00 0.00 C ATOM 1614 OD1 ASN A 105 10.901 12.819 -25.096 1.00 0.00 O ATOM 1615 ND2 ASN A 105 12.105 12.825 -23.193 1.00 0.00 N ATOM 0 H ASN A 105 7.120 11.158 -22.889 1.00 0.00 H new ATOM 0 HA ASN A 105 9.065 11.550 -25.066 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.385 12.660 -22.496 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.302 11.169 -22.426 1.00 0.00 H new ATOM 0 HD21 ASN A 105 12.913 13.261 -23.636 1.00 0.00 H new ATOM 0 HD22 ASN A 105 12.133 12.587 -22.201 1.00 0.00 H new ATOM 1622 N SER A 106 8.880 9.033 -25.001 1.00 0.00 N ATOM 1623 CA SER A 106 8.989 7.584 -25.002 1.00 0.00 C ATOM 1624 C SER A 106 10.386 7.165 -25.466 1.00 0.00 C ATOM 1625 O SER A 106 10.831 7.562 -26.542 1.00 0.00 O ATOM 1626 CB SER A 106 7.921 6.951 -25.896 1.00 0.00 C ATOM 1627 OG SER A 106 6.688 6.765 -25.205 1.00 0.00 O ATOM 0 H SER A 106 8.698 9.448 -25.915 1.00 0.00 H new ATOM 0 HA SER A 106 8.829 7.229 -23.984 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.756 7.584 -26.768 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.279 5.989 -26.264 1.00 0.00 H new ATOM 0 HG SER A 106 6.032 6.360 -25.810 1.00 0.00 H new ATOM 1633 N GLN A 107 11.038 6.369 -24.632 1.00 0.00 N ATOM 1634 CA GLN A 107 12.374 5.892 -24.943 1.00 0.00 C ATOM 1635 C GLN A 107 12.660 4.587 -24.196 1.00 0.00 C ATOM 1636 O GLN A 107 12.949 3.564 -24.815 1.00 0.00 O ATOM 1637 CB GLN A 107 13.426 6.953 -24.613 1.00 0.00 C ATOM 1638 CG GLN A 107 14.186 7.381 -25.871 1.00 0.00 C ATOM 1639 CD GLN A 107 15.662 7.635 -25.559 1.00 0.00 C ATOM 1640 OE1 GLN A 107 16.032 8.044 -24.471 1.00 0.00 O ATOM 1641 NE2 GLN A 107 16.482 7.371 -26.572 1.00 0.00 N ATOM 0 H GLN A 107 10.665 6.042 -23.740 1.00 0.00 H new ATOM 0 HA GLN A 107 12.427 5.695 -26.014 1.00 0.00 H new ATOM 0 HB2 GLN A 107 12.944 7.820 -24.162 1.00 0.00 H new ATOM 0 HB3 GLN A 107 14.127 6.559 -23.877 1.00 0.00 H new ATOM 0 HG2 GLN A 107 14.100 6.607 -26.634 1.00 0.00 H new ATOM 0 HG3 GLN A 107 13.737 8.285 -26.282 1.00 0.00 H new ATOM 0 HE21 GLN A 107 16.106 7.031 -27.457 1.00 0.00 H new ATOM 0 HE22 GLN A 107 17.487 7.509 -26.464 1.00 0.00 H new ATOM 1650 N GLY A 108 12.567 4.665 -22.877 1.00 0.00 N ATOM 1651 CA GLY A 108 12.812 3.503 -22.040 1.00 0.00 C ATOM 1652 C GLY A 108 14.066 3.697 -21.185 1.00 0.00 C ATOM 1653 O GLY A 108 14.707 4.745 -21.246 1.00 0.00 O ATOM 0 H GLY A 108 12.325 5.515 -22.367 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.951 3.327 -21.395 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.927 2.618 -22.665 1.00 0.00 H new ATOM 1657 N GLN A 109 14.379 2.670 -20.409 1.00 0.00 N ATOM 1658 CA GLN A 109 15.545 2.715 -19.543 1.00 0.00 C ATOM 1659 C GLN A 109 16.641 1.792 -20.081 1.00 0.00 C ATOM 1660 O GLN A 109 16.461 0.577 -20.141 1.00 0.00 O ATOM 1661 CB GLN A 109 15.175 2.346 -18.105 1.00 0.00 C ATOM 1662 CG GLN A 109 16.132 3.001 -17.107 1.00 0.00 C ATOM 1663 CD GLN A 109 15.870 2.499 -15.686 1.00 0.00 C ATOM 1664 OE1 GLN A 109 14.883 2.835 -15.053 1.00 0.00 O ATOM 1665 NE2 GLN A 109 16.807 1.678 -15.221 1.00 0.00 N ATOM 0 H GLN A 109 13.846 1.802 -20.362 1.00 0.00 H new ATOM 0 HA GLN A 109 15.928 3.736 -19.534 1.00 0.00 H new ATOM 0 HB2 GLN A 109 14.153 2.663 -17.896 1.00 0.00 H new ATOM 0 HB3 GLN A 109 15.204 1.263 -17.985 1.00 0.00 H new ATOM 0 HG2 GLN A 109 17.162 2.784 -17.389 1.00 0.00 H new ATOM 0 HG3 GLN A 109 16.014 4.084 -17.142 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.609 1.437 -15.804 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.724 1.289 -14.282 1.00 0.00 H new ATOM 1674 N ARG A 110 17.753 2.405 -20.459 1.00 0.00 N ATOM 1675 CA ARG A 110 18.878 1.655 -20.991 1.00 0.00 C ATOM 1676 C ARG A 110 20.114 1.856 -20.111 1.00 0.00 C ATOM 1677 O ARG A 110 20.292 2.920 -19.519 1.00 0.00 O ATOM 1678 CB ARG A 110 19.203 2.088 -22.421 1.00 0.00 C ATOM 1679 CG ARG A 110 20.245 1.161 -23.052 1.00 0.00 C ATOM 1680 CD ARG A 110 20.095 1.123 -24.574 1.00 0.00 C ATOM 1681 NE ARG A 110 20.811 -0.049 -25.124 1.00 0.00 N ATOM 1682 CZ ARG A 110 22.138 -0.102 -25.304 1.00 0.00 C ATOM 1683 NH1 ARG A 110 22.901 0.951 -24.979 1.00 0.00 N ATOM 1684 NH2 ARG A 110 22.702 -1.207 -25.810 1.00 0.00 N ATOM 0 H ARG A 110 17.899 3.413 -20.407 1.00 0.00 H new ATOM 0 HA ARG A 110 18.600 0.601 -20.998 1.00 0.00 H new ATOM 0 HB2 ARG A 110 18.294 2.081 -23.022 1.00 0.00 H new ATOM 0 HB3 ARG A 110 19.576 3.112 -22.419 1.00 0.00 H new ATOM 0 HG2 ARG A 110 21.247 1.502 -22.790 1.00 0.00 H new ATOM 0 HG3 ARG A 110 20.135 0.155 -22.647 1.00 0.00 H new ATOM 0 HD2 ARG A 110 19.040 1.074 -24.843 1.00 0.00 H new ATOM 0 HD3 ARG A 110 20.492 2.040 -25.010 1.00 0.00 H new ATOM 0 HE ARG A 110 20.260 -0.868 -25.382 1.00 0.00 H new ATOM 0 HH11 ARG A 110 22.472 1.793 -24.595 1.00 0.00 H new ATOM 0 HH12 ARG A 110 23.911 0.911 -25.116 1.00 0.00 H new ATOM 0 HH21 ARG A 110 22.121 -2.008 -26.058 1.00 0.00 H new ATOM 0 HH22 ARG A 110 23.712 -1.247 -25.947 1.00 0.00 H new ATOM 1698 N SER A 111 20.934 0.818 -20.052 1.00 0.00 N ATOM 1699 CA SER A 111 22.148 0.867 -19.254 1.00 0.00 C ATOM 1700 C SER A 111 21.795 1.010 -17.773 1.00 0.00 C ATOM 1701 O SER A 111 20.834 1.693 -17.423 1.00 0.00 O ATOM 1702 CB SER A 111 23.052 2.019 -19.698 1.00 0.00 C ATOM 1703 OG SER A 111 24.144 1.565 -20.494 1.00 0.00 O ATOM 0 H SER A 111 20.782 -0.063 -20.544 1.00 0.00 H new ATOM 0 HA SER A 111 22.693 -0.065 -19.402 1.00 0.00 H new ATOM 0 HB2 SER A 111 22.466 2.742 -20.265 1.00 0.00 H new ATOM 0 HB3 SER A 111 23.435 2.538 -18.820 1.00 0.00 H new ATOM 0 HG SER A 111 24.696 2.330 -20.759 1.00 0.00 H new ATOM 1709 N GLY A 112 22.591 0.354 -16.941 1.00 0.00 N ATOM 1710 CA GLY A 112 22.374 0.399 -15.505 1.00 0.00 C ATOM 1711 C GLY A 112 23.216 -0.659 -14.790 1.00 0.00 C ATOM 1712 O GLY A 112 24.000 -1.366 -15.423 1.00 0.00 O ATOM 0 H GLY A 112 23.387 -0.212 -17.234 1.00 0.00 H new ATOM 0 HA2 GLY A 112 22.629 1.389 -15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 112 21.318 0.236 -15.288 1.00 0.00 H new ATOM 1716 N PRO A 113 23.021 -0.737 -13.447 1.00 0.00 N ATOM 1717 CA PRO A 113 23.753 -1.698 -12.638 1.00 0.00 C ATOM 1718 C PRO A 113 23.204 -3.112 -12.835 1.00 0.00 C ATOM 1719 O PRO A 113 22.002 -3.338 -12.707 1.00 0.00 O ATOM 1720 CB PRO A 113 23.611 -1.199 -11.210 1.00 0.00 C ATOM 1721 CG PRO A 113 22.426 -0.247 -11.216 1.00 0.00 C ATOM 1722 CD PRO A 113 22.102 0.083 -12.664 1.00 0.00 C ATOM 0 HA PRO A 113 24.804 -1.769 -12.918 1.00 0.00 H new ATOM 0 HB2 PRO A 113 23.443 -2.027 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 113 24.518 -0.691 -10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 113 21.566 -0.705 -10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.663 0.661 -10.661 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.064 -0.151 -12.900 1.00 0.00 H new ATOM 0 HD3 PRO A 113 22.245 1.144 -12.870 1.00 0.00 H new ATOM 1730 N SER A 114 24.111 -4.027 -13.144 1.00 0.00 N ATOM 1731 CA SER A 114 23.732 -5.413 -13.360 1.00 0.00 C ATOM 1732 C SER A 114 24.723 -6.342 -12.657 1.00 0.00 C ATOM 1733 O SER A 114 25.780 -6.655 -13.202 1.00 0.00 O ATOM 1734 CB SER A 114 23.666 -5.740 -14.853 1.00 0.00 C ATOM 1735 OG SER A 114 22.671 -4.972 -15.525 1.00 0.00 O ATOM 0 H SER A 114 25.107 -3.836 -13.250 1.00 0.00 H new ATOM 0 HA SER A 114 22.739 -5.565 -12.938 1.00 0.00 H new ATOM 0 HB2 SER A 114 24.638 -5.552 -15.309 1.00 0.00 H new ATOM 0 HB3 SER A 114 23.454 -6.801 -14.983 1.00 0.00 H new ATOM 0 HG SER A 114 22.662 -5.209 -16.476 1.00 0.00 H new ATOM 1741 N SER A 115 24.347 -6.757 -11.456 1.00 0.00 N ATOM 1742 CA SER A 115 25.189 -7.644 -10.672 1.00 0.00 C ATOM 1743 C SER A 115 25.247 -9.025 -11.327 1.00 0.00 C ATOM 1744 O SER A 115 26.325 -9.509 -11.671 1.00 0.00 O ATOM 1745 CB SER A 115 24.680 -7.760 -9.234 1.00 0.00 C ATOM 1746 OG SER A 115 25.410 -8.728 -8.485 1.00 0.00 O ATOM 0 H SER A 115 23.470 -6.495 -11.007 1.00 0.00 H new ATOM 0 HA SER A 115 26.193 -7.221 -10.640 1.00 0.00 H new ATOM 0 HB2 SER A 115 24.756 -6.790 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 115 23.624 -8.030 -9.244 1.00 0.00 H new ATOM 0 HG SER A 115 25.056 -8.771 -7.572 1.00 0.00 H new ATOM 1752 N GLY A 116 24.074 -9.622 -11.481 1.00 0.00 N ATOM 1753 CA GLY A 116 23.977 -10.938 -12.089 1.00 0.00 C ATOM 1754 C GLY A 116 24.641 -10.955 -13.467 1.00 0.00 C ATOM 1755 O GLY A 116 23.976 -11.178 -14.478 1.00 0.00 O ATOM 0 H GLY A 116 23.182 -9.218 -11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 116 24.452 -11.677 -11.443 1.00 0.00 H new ATOM 0 HA3 GLY A 116 22.929 -11.223 -12.183 1.00 0.00 H new TER 1759 GLY A 116