USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 721 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 25 GLN : amide:sc= -2.03 K(o=-2.2,f=-8.8!) USER MOD Set 1.2: A 27 ASN : amide:sc= -0.17 K(o=-2.2,f=-8.8) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.181 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 10 GLN : amide:sc= -1.93 K(o=-1.9,f=-11!) USER MOD Single : A 11 CYS SG : rot 100:sc= -1.26 USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= 0.687 (180deg=0.331) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 49:sc= -0.276 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 27:sc= 0.753 USER MOD Single : A 34 ASN :FLIP amide:sc= 0.298 F(o=-2.8!,f=0.3) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0722 USER MOD Single : A 41 TYR OH : rot 30:sc= -2.47! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 162:sc=-0.00294 (180deg=-0.36) USER MOD Single : A 53 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.27) USER MOD Single : A 55 CYS SG : rot 107:sc= 0.612 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 4:sc= 0.748 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 64:sc= 0.551 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 130:sc= 0.212 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 79 GLN :FLIP amide:sc= -4.33! C(o=-6.9!,f=-4.3!) USER MOD Single : A 82 SER OG : rot 17:sc= 0.914 USER MOD Single : A 90 SER OG : rot 90:sc= 0.0447 USER MOD Single : A 95 CYS SG : rot 28:sc= 0.196 USER MOD Single : A 97 THR OG1 : rot -168:sc= 0.416 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.101 -23.302 7.202 1.00 0.00 N ATOM 2 CA GLY A 1 -1.522 -22.867 5.884 1.00 0.00 C ATOM 3 C GLY A 1 -2.163 -21.494 5.903 1.00 0.00 C ATOM 4 O GLY A 1 -1.493 -20.493 6.159 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.669 -24.246 7.135 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.406 -22.630 7.584 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.926 -23.343 7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.660 -22.853 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.229 -23.589 5.475 1.00 0.00 H new ATOM 8 N SER A 2 -3.463 -21.445 5.631 1.00 0.00 N ATOM 9 CA SER A 2 -4.193 -20.183 5.613 1.00 0.00 C ATOM 10 C SER A 2 -5.409 -20.246 6.533 1.00 0.00 C ATOM 11 O SER A 2 -6.221 -21.167 6.446 1.00 0.00 O ATOM 12 CB SER A 2 -4.635 -19.844 4.188 1.00 0.00 C ATOM 13 OG SER A 2 -5.505 -20.838 3.675 1.00 0.00 O ATOM 0 H SER A 2 -4.032 -22.265 5.420 1.00 0.00 H new ATOM 0 HA SER A 2 -3.525 -19.401 5.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.138 -18.877 4.180 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.760 -19.754 3.544 1.00 0.00 H new ATOM 0 HG SER A 2 -5.942 -21.305 4.417 1.00 0.00 H new ATOM 19 N SER A 3 -5.528 -19.258 7.415 1.00 0.00 N ATOM 20 CA SER A 3 -6.642 -19.202 8.354 1.00 0.00 C ATOM 21 C SER A 3 -7.681 -18.179 7.904 1.00 0.00 C ATOM 22 O SER A 3 -7.351 -17.189 7.253 1.00 0.00 O ATOM 23 CB SER A 3 -6.138 -18.851 9.756 1.00 0.00 C ATOM 24 OG SER A 3 -7.097 -19.188 10.742 1.00 0.00 O ATOM 0 H SER A 3 -4.867 -18.486 7.499 1.00 0.00 H new ATOM 0 HA SER A 3 -7.113 -20.185 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.206 -19.381 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.916 -17.785 9.810 1.00 0.00 H new ATOM 0 HG SER A 3 -6.750 -18.955 11.629 1.00 0.00 H new ATOM 30 N GLY A 4 -8.938 -18.426 8.259 1.00 0.00 N ATOM 31 CA GLY A 4 -10.007 -17.520 7.883 1.00 0.00 C ATOM 32 C GLY A 4 -11.131 -18.221 7.147 1.00 0.00 C ATOM 33 O GLY A 4 -10.886 -19.025 6.247 1.00 0.00 O ATOM 0 H GLY A 4 -9.235 -19.238 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.406 -17.042 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.603 -16.728 7.252 1.00 0.00 H new ATOM 37 N SER A 5 -12.367 -17.918 7.530 1.00 0.00 N ATOM 38 CA SER A 5 -13.534 -18.528 6.903 1.00 0.00 C ATOM 39 C SER A 5 -14.231 -17.540 5.975 1.00 0.00 C ATOM 40 O SER A 5 -14.423 -17.814 4.790 1.00 0.00 O ATOM 41 CB SER A 5 -14.512 -19.022 7.970 1.00 0.00 C ATOM 42 OG SER A 5 -15.650 -19.624 7.379 1.00 0.00 O ATOM 0 H SER A 5 -12.586 -17.253 8.272 1.00 0.00 H new ATOM 0 HA SER A 5 -13.195 -19.378 6.310 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.013 -19.741 8.620 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.823 -18.187 8.597 1.00 0.00 H new ATOM 0 HG SER A 5 -16.259 -19.933 8.082 1.00 0.00 H new ATOM 48 N SER A 6 -14.610 -16.390 6.522 1.00 0.00 N ATOM 49 CA SER A 6 -15.290 -15.361 5.745 1.00 0.00 C ATOM 50 C SER A 6 -14.312 -14.276 5.304 1.00 0.00 C ATOM 51 O SER A 6 -13.841 -13.481 6.117 1.00 0.00 O ATOM 52 CB SER A 6 -16.423 -14.738 6.564 1.00 0.00 C ATOM 53 OG SER A 6 -17.587 -15.546 6.519 1.00 0.00 O ATOM 0 H SER A 6 -14.458 -16.147 7.501 1.00 0.00 H new ATOM 0 HA SER A 6 -15.709 -15.832 4.856 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.103 -14.613 7.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.651 -13.744 6.179 1.00 0.00 H new ATOM 0 HG SER A 6 -18.296 -15.128 7.051 1.00 0.00 H new ATOM 59 N GLY A 7 -14.009 -14.251 4.009 1.00 0.00 N ATOM 60 CA GLY A 7 -13.089 -13.262 3.481 1.00 0.00 C ATOM 61 C GLY A 7 -12.058 -13.868 2.549 1.00 0.00 C ATOM 62 O GLY A 7 -11.786 -15.067 2.585 1.00 0.00 O ATOM 0 H GLY A 7 -14.385 -14.899 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.651 -12.496 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.580 -12.766 4.307 1.00 0.00 H new ATOM 66 N PRO A 8 -11.467 -13.027 1.688 1.00 0.00 N ATOM 67 CA PRO A 8 -10.452 -13.464 0.725 1.00 0.00 C ATOM 68 C PRO A 8 -9.141 -13.852 1.400 1.00 0.00 C ATOM 69 O PRO A 8 -9.019 -13.789 2.623 1.00 0.00 O ATOM 70 CB PRO A 8 -10.253 -12.233 -0.164 1.00 0.00 C ATOM 71 CG PRO A 8 -10.643 -11.080 0.693 1.00 0.00 C ATOM 72 CD PRO A 8 -11.741 -11.583 1.590 1.00 0.00 C ATOM 0 HA PRO A 8 -10.764 -14.354 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.218 -12.147 -0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.872 -12.287 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.795 -10.723 1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.987 -10.242 0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.714 -11.102 2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.726 -11.389 1.167 1.00 0.00 H new ATOM 80 N ASP A 9 -8.162 -14.251 0.595 1.00 0.00 N ATOM 81 CA ASP A 9 -6.858 -14.647 1.115 1.00 0.00 C ATOM 82 C ASP A 9 -5.954 -13.432 1.300 1.00 0.00 C ATOM 83 O ASP A 9 -6.184 -12.381 0.704 1.00 0.00 O ATOM 84 CB ASP A 9 -6.195 -15.653 0.173 1.00 0.00 C ATOM 85 CG ASP A 9 -6.639 -17.078 0.441 1.00 0.00 C ATOM 86 OD1 ASP A 9 -7.688 -17.483 -0.103 1.00 0.00 O ATOM 87 OD2 ASP A 9 -5.941 -17.787 1.194 1.00 0.00 O ATOM 0 H ASP A 9 -8.247 -14.309 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.009 -15.116 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.430 -15.390 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.112 -15.587 0.280 1.00 0.00 H new ATOM 92 N GLN A 10 -4.928 -13.586 2.130 1.00 0.00 N ATOM 93 CA GLN A 10 -3.992 -12.500 2.395 1.00 0.00 C ATOM 94 C GLN A 10 -3.483 -11.891 1.092 1.00 0.00 C ATOM 95 O GLN A 10 -3.203 -12.606 0.129 1.00 0.00 O ATOM 96 CB GLN A 10 -2.814 -13.006 3.229 1.00 0.00 C ATOM 97 CG GLN A 10 -1.631 -12.053 3.251 1.00 0.00 C ATOM 98 CD GLN A 10 -1.949 -10.742 3.942 1.00 0.00 C ATOM 99 OE1 GLN A 10 -2.978 -10.120 3.674 1.00 0.00 O ATOM 100 NE2 GLN A 10 -1.067 -10.314 4.838 1.00 0.00 N ATOM 0 H GLN A 10 -4.724 -14.451 2.630 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.519 -11.728 2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.151 -13.178 4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.487 -13.968 2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.793 -12.532 3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.312 -11.852 2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.228 -10.861 5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.229 -9.438 5.335 1.00 0.00 H new ATOM 109 N CYS A 11 -3.365 -10.568 1.070 1.00 0.00 N ATOM 110 CA CYS A 11 -2.890 -9.862 -0.116 1.00 0.00 C ATOM 111 C CYS A 11 -1.368 -9.770 -0.119 1.00 0.00 C ATOM 112 O CYS A 11 -0.728 -9.829 0.931 1.00 0.00 O ATOM 113 CB CYS A 11 -3.498 -8.460 -0.177 1.00 0.00 C ATOM 114 SG CYS A 11 -5.306 -8.437 -0.121 1.00 0.00 S ATOM 0 H CYS A 11 -3.591 -9.962 1.859 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.204 -10.425 -0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.112 -7.871 0.655 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.167 -7.972 -1.094 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.699 -8.152 1.085 1.00 0.00 H new ATOM 120 N LYS A 12 -0.792 -9.627 -1.308 1.00 0.00 N ATOM 121 CA LYS A 12 0.655 -9.526 -1.451 1.00 0.00 C ATOM 122 C LYS A 12 1.118 -8.080 -1.302 1.00 0.00 C ATOM 123 O LYS A 12 0.380 -7.135 -1.581 1.00 0.00 O ATOM 124 CB LYS A 12 1.093 -10.075 -2.811 1.00 0.00 C ATOM 125 CG LYS A 12 0.771 -9.150 -3.972 1.00 0.00 C ATOM 126 CD LYS A 12 1.767 -9.314 -5.109 1.00 0.00 C ATOM 127 CE LYS A 12 1.807 -8.081 -5.997 1.00 0.00 C ATOM 128 NZ LYS A 12 2.808 -7.086 -5.520 1.00 0.00 N ATOM 0 H LYS A 12 -1.306 -9.578 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 12 1.115 -10.119 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.167 -10.258 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.608 -11.037 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.235 -9.358 -4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.778 -8.116 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.760 -9.501 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.499 -10.185 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.047 -8.377 -7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.820 -7.620 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.502 -6.129 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.891 -7.145 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.732 -7.288 -5.953 1.00 0.00 H new ATOM 142 N PRO A 13 2.369 -7.902 -0.853 1.00 0.00 N ATOM 143 CA PRO A 13 2.959 -6.575 -0.658 1.00 0.00 C ATOM 144 C PRO A 13 3.226 -5.860 -1.979 1.00 0.00 C ATOM 145 O PRO A 13 3.783 -6.428 -2.917 1.00 0.00 O ATOM 146 CB PRO A 13 4.275 -6.873 0.065 1.00 0.00 C ATOM 147 CG PRO A 13 4.617 -8.267 -0.331 1.00 0.00 C ATOM 148 CD PRO A 13 3.305 -8.983 -0.500 1.00 0.00 C ATOM 0 HA PRO A 13 2.295 -5.911 -0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.057 -6.174 -0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.162 -6.785 1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.191 -8.280 -1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.230 -8.750 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.358 -9.740 -1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.004 -9.492 0.416 1.00 0.00 H new ATOM 156 N PRO A 14 2.822 -4.583 -2.053 1.00 0.00 N ATOM 157 CA PRO A 14 3.008 -3.763 -3.254 1.00 0.00 C ATOM 158 C PRO A 14 4.474 -3.416 -3.496 1.00 0.00 C ATOM 159 O PRO A 14 5.315 -3.585 -2.614 1.00 0.00 O ATOM 160 CB PRO A 14 2.203 -2.498 -2.948 1.00 0.00 C ATOM 161 CG PRO A 14 2.170 -2.420 -1.461 1.00 0.00 C ATOM 162 CD PRO A 14 2.151 -3.841 -0.972 1.00 0.00 C ATOM 0 HA PRO A 14 2.685 -4.282 -4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.674 -1.615 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.197 -2.559 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.041 -1.887 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.289 -1.878 -1.118 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.679 -3.947 -0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.133 -4.197 -0.812 1.00 0.00 H new ATOM 170 N GLN A 15 4.771 -2.929 -4.698 1.00 0.00 N ATOM 171 CA GLN A 15 6.135 -2.559 -5.054 1.00 0.00 C ATOM 172 C GLN A 15 6.335 -1.050 -4.948 1.00 0.00 C ATOM 173 O GLN A 15 5.694 -0.276 -5.659 1.00 0.00 O ATOM 174 CB GLN A 15 6.458 -3.028 -6.474 1.00 0.00 C ATOM 175 CG GLN A 15 7.880 -2.714 -6.910 1.00 0.00 C ATOM 176 CD GLN A 15 8.911 -3.561 -6.190 1.00 0.00 C ATOM 177 OE1 GLN A 15 9.069 -4.747 -6.480 1.00 0.00 O ATOM 178 NE2 GLN A 15 9.621 -2.954 -5.246 1.00 0.00 N ATOM 0 H GLN A 15 4.086 -2.782 -5.439 1.00 0.00 H new ATOM 0 HA GLN A 15 6.812 -3.048 -4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.297 -4.104 -6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.762 -2.559 -7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.970 -2.874 -7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.088 -1.660 -6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.457 -1.969 -5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.331 -3.473 -4.729 1.00 0.00 H new ATOM 187 N VAL A 16 7.227 -0.639 -4.053 1.00 0.00 N ATOM 188 CA VAL A 16 7.513 0.777 -3.852 1.00 0.00 C ATOM 189 C VAL A 16 8.644 1.244 -4.761 1.00 0.00 C ATOM 190 O VAL A 16 9.649 0.551 -4.928 1.00 0.00 O ATOM 191 CB VAL A 16 7.890 1.071 -2.389 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.687 0.881 -1.478 1.00 0.00 C ATOM 193 CG2 VAL A 16 9.048 0.189 -1.949 1.00 0.00 C ATOM 0 H VAL A 16 7.765 -1.267 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 16 6.603 1.322 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 16 8.209 2.111 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.973 1.093 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.890 1.561 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.334 -0.148 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.301 0.411 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.761 -0.859 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.914 0.382 -2.583 1.00 0.00 H new ATOM 203 N THR A 17 8.475 2.424 -5.349 1.00 0.00 N ATOM 204 CA THR A 17 9.482 2.984 -6.243 1.00 0.00 C ATOM 205 C THR A 17 9.729 4.457 -5.937 1.00 0.00 C ATOM 206 O THR A 17 8.896 5.311 -6.238 1.00 0.00 O ATOM 207 CB THR A 17 9.065 2.840 -7.719 1.00 0.00 C ATOM 208 OG1 THR A 17 8.996 1.455 -8.075 1.00 0.00 O ATOM 209 CG2 THR A 17 10.050 3.555 -8.630 1.00 0.00 C ATOM 0 H THR A 17 7.650 3.011 -5.222 1.00 0.00 H new ATOM 0 HA THR A 17 10.401 2.422 -6.077 1.00 0.00 H new ATOM 0 HB THR A 17 8.083 3.296 -7.843 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.729 1.372 -9.014 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.736 3.440 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.079 4.614 -8.375 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.043 3.124 -8.502 1.00 0.00 H new ATOM 217 N CYS A 18 10.879 4.746 -5.339 1.00 0.00 N ATOM 218 CA CYS A 18 11.237 6.118 -4.993 1.00 0.00 C ATOM 219 C CYS A 18 11.485 6.949 -6.248 1.00 0.00 C ATOM 220 O CYS A 18 12.631 7.172 -6.640 1.00 0.00 O ATOM 221 CB CYS A 18 12.481 6.134 -4.102 1.00 0.00 C ATOM 222 SG CYS A 18 13.913 5.296 -4.820 1.00 0.00 S ATOM 0 H CYS A 18 11.579 4.050 -5.084 1.00 0.00 H new ATOM 0 HA CYS A 18 10.402 6.558 -4.447 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.748 7.169 -3.888 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.238 5.664 -3.149 1.00 0.00 H new ATOM 0 HG CYS A 18 14.089 5.707 -6.041 1.00 0.00 H new ATOM 228 N ARG A 19 10.404 7.401 -6.875 1.00 0.00 N ATOM 229 CA ARG A 19 10.505 8.205 -8.087 1.00 0.00 C ATOM 230 C ARG A 19 11.426 9.402 -7.872 1.00 0.00 C ATOM 231 O ARG A 19 12.121 9.836 -8.789 1.00 0.00 O ATOM 232 CB ARG A 19 9.119 8.685 -8.522 1.00 0.00 C ATOM 233 CG ARG A 19 8.367 7.680 -9.379 1.00 0.00 C ATOM 234 CD ARG A 19 7.482 8.372 -10.403 1.00 0.00 C ATOM 235 NE ARG A 19 8.177 8.588 -11.670 1.00 0.00 N ATOM 236 CZ ARG A 19 8.637 7.603 -12.432 1.00 0.00 C ATOM 237 NH1 ARG A 19 8.478 6.340 -12.059 1.00 0.00 N ATOM 238 NH2 ARG A 19 9.259 7.879 -13.572 1.00 0.00 N ATOM 0 H ARG A 19 9.449 7.224 -6.564 1.00 0.00 H new ATOM 0 HA ARG A 19 10.929 7.580 -8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.526 8.908 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.224 9.617 -9.078 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.079 7.032 -9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.756 7.041 -8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.590 7.770 -10.577 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.148 9.330 -10.005 1.00 0.00 H new ATOM 0 HE ARG A 19 8.316 9.548 -11.986 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.001 6.123 -11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.833 5.586 -12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.384 8.849 -13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.612 7.121 -14.157 1.00 0.00 H new ATOM 252 N SER A 20 11.424 9.932 -6.652 1.00 0.00 N ATOM 253 CA SER A 20 12.255 11.081 -6.317 1.00 0.00 C ATOM 254 C SER A 20 12.489 11.161 -4.812 1.00 0.00 C ATOM 255 O SER A 20 11.803 10.504 -4.030 1.00 0.00 O ATOM 256 CB SER A 20 11.602 12.372 -6.813 1.00 0.00 C ATOM 257 OG SER A 20 12.561 13.403 -6.969 1.00 0.00 O ATOM 0 H SER A 20 10.856 9.583 -5.880 1.00 0.00 H new ATOM 0 HA SER A 20 13.219 10.958 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.103 12.188 -7.765 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.834 12.689 -6.107 1.00 0.00 H new ATOM 0 HG SER A 20 12.118 14.216 -7.289 1.00 0.00 H new ATOM 263 N ALA A 21 13.463 11.974 -4.412 1.00 0.00 N ATOM 264 CA ALA A 21 13.788 12.142 -3.002 1.00 0.00 C ATOM 265 C ALA A 21 12.529 12.377 -2.174 1.00 0.00 C ATOM 266 O ALA A 21 12.420 11.905 -1.041 1.00 0.00 O ATOM 267 CB ALA A 21 14.764 13.295 -2.819 1.00 0.00 C ATOM 0 H ALA A 21 14.040 12.526 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 21 14.258 11.223 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.998 13.409 -1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.680 13.088 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.314 14.215 -3.192 1.00 0.00 H new ATOM 273 N THR A 22 11.578 13.109 -2.745 1.00 0.00 N ATOM 274 CA THR A 22 10.327 13.408 -2.059 1.00 0.00 C ATOM 275 C THR A 22 9.136 12.824 -2.809 1.00 0.00 C ATOM 276 O THR A 22 8.026 13.358 -2.744 1.00 0.00 O ATOM 277 CB THR A 22 10.123 14.927 -1.897 1.00 0.00 C ATOM 278 OG1 THR A 22 9.742 15.506 -3.149 1.00 0.00 O ATOM 279 CG2 THR A 22 11.394 15.592 -1.391 1.00 0.00 C ATOM 0 H THR A 22 11.650 13.506 -3.682 1.00 0.00 H new ATOM 0 HA THR A 22 10.391 12.951 -1.072 1.00 0.00 H new ATOM 0 HB THR A 22 9.331 15.089 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.613 16.471 -3.037 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.226 16.664 -1.284 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.666 15.169 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.202 15.420 -2.102 1.00 0.00 H new ATOM 287 N CYS A 23 9.370 11.727 -3.520 1.00 0.00 N ATOM 288 CA CYS A 23 8.315 11.070 -4.283 1.00 0.00 C ATOM 289 C CYS A 23 8.441 9.553 -4.191 1.00 0.00 C ATOM 290 O CYS A 23 9.546 9.013 -4.173 1.00 0.00 O ATOM 291 CB CYS A 23 8.365 11.511 -5.747 1.00 0.00 C ATOM 292 SG CYS A 23 8.256 13.300 -5.984 1.00 0.00 S ATOM 0 H CYS A 23 10.281 11.273 -3.584 1.00 0.00 H new ATOM 0 HA CYS A 23 7.356 11.363 -3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.293 11.152 -6.192 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.548 11.033 -6.287 1.00 0.00 H new ATOM 0 HG CYS A 23 8.309 13.574 -7.254 1.00 0.00 H new ATOM 298 N ALA A 24 7.301 8.872 -4.133 1.00 0.00 N ATOM 299 CA ALA A 24 7.283 7.417 -4.043 1.00 0.00 C ATOM 300 C ALA A 24 5.976 6.849 -4.585 1.00 0.00 C ATOM 301 O ALA A 24 4.893 7.262 -4.175 1.00 0.00 O ATOM 302 CB ALA A 24 7.496 6.975 -2.602 1.00 0.00 C ATOM 0 H ALA A 24 6.378 9.305 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 24 8.098 7.030 -4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.480 5.886 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.459 7.342 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.701 7.380 -1.976 1.00 0.00 H new ATOM 308 N GLN A 25 6.088 5.901 -5.510 1.00 0.00 N ATOM 309 CA GLN A 25 4.914 5.279 -6.110 1.00 0.00 C ATOM 310 C GLN A 25 4.721 3.860 -5.582 1.00 0.00 C ATOM 311 O GLN A 25 5.689 3.162 -5.280 1.00 0.00 O ATOM 312 CB GLN A 25 5.045 5.255 -7.634 1.00 0.00 C ATOM 313 CG GLN A 25 3.722 5.060 -8.356 1.00 0.00 C ATOM 314 CD GLN A 25 3.375 3.598 -8.556 1.00 0.00 C ATOM 315 OE1 GLN A 25 4.048 2.711 -8.029 1.00 0.00 O ATOM 316 NE2 GLN A 25 2.320 3.339 -9.319 1.00 0.00 N ATOM 0 H GLN A 25 6.979 5.547 -5.860 1.00 0.00 H new ATOM 0 HA GLN A 25 4.041 5.872 -5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.496 6.190 -7.966 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.726 4.453 -7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.928 5.543 -7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.766 5.555 -9.326 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.791 4.105 -9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.038 2.374 -9.489 1.00 0.00 H new ATOM 325 N VAL A 26 3.465 3.441 -5.473 1.00 0.00 N ATOM 326 CA VAL A 26 3.144 2.106 -4.982 1.00 0.00 C ATOM 327 C VAL A 26 2.263 1.354 -5.973 1.00 0.00 C ATOM 328 O VAL A 26 1.481 1.956 -6.707 1.00 0.00 O ATOM 329 CB VAL A 26 2.428 2.166 -3.620 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.456 0.804 -2.941 1.00 0.00 C ATOM 331 CG2 VAL A 26 3.064 3.225 -2.731 1.00 0.00 C ATOM 0 H VAL A 26 2.652 4.007 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 26 4.089 1.576 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 26 1.387 2.441 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.945 0.866 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.953 0.072 -3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.490 0.497 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.546 3.254 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.114 2.981 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.988 4.199 -3.214 1.00 0.00 H new ATOM 341 N ASN A 27 2.395 0.030 -5.988 1.00 0.00 N ATOM 342 CA ASN A 27 1.612 -0.806 -6.889 1.00 0.00 C ATOM 343 C ASN A 27 1.238 -2.125 -6.219 1.00 0.00 C ATOM 344 O ASN A 27 2.107 -2.878 -5.781 1.00 0.00 O ATOM 345 CB ASN A 27 2.393 -1.078 -8.176 1.00 0.00 C ATOM 346 CG ASN A 27 2.327 0.083 -9.149 1.00 0.00 C ATOM 347 OD1 ASN A 27 1.260 0.653 -9.382 1.00 0.00 O ATOM 348 ND2 ASN A 27 3.469 0.440 -9.724 1.00 0.00 N ATOM 0 H ASN A 27 3.037 -0.485 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 27 0.695 -0.271 -7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.435 -1.283 -7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.997 -1.973 -8.656 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.486 1.214 -10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.330 -0.060 -9.502 1.00 0.00 H new ATOM 355 N TRP A 28 -0.060 -2.397 -6.146 1.00 0.00 N ATOM 356 CA TRP A 28 -0.549 -3.625 -5.530 1.00 0.00 C ATOM 357 C TRP A 28 -1.368 -4.443 -6.522 1.00 0.00 C ATOM 358 O TRP A 28 -1.522 -4.056 -7.680 1.00 0.00 O ATOM 359 CB TRP A 28 -1.394 -3.302 -4.297 1.00 0.00 C ATOM 360 CG TRP A 28 -2.538 -2.379 -4.587 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.857 -2.717 -4.698 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.466 -0.965 -4.804 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.608 -1.601 -4.973 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.779 -0.512 -5.042 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.420 -0.038 -4.821 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.071 0.826 -5.292 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.711 1.289 -5.070 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.027 1.712 -5.302 1.00 0.00 C ATOM 0 H TRP A 28 -0.792 -1.784 -6.505 1.00 0.00 H new ATOM 0 HA TRP A 28 0.314 -4.216 -5.225 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.783 -4.230 -3.878 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.757 -2.851 -3.536 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.251 -3.716 -4.586 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.619 -1.585 -5.105 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.403 -0.354 -4.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.084 1.153 -5.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.910 2.014 -5.086 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.221 2.757 -5.492 1.00 0.00 H new ATOM 379 N GLU A 29 -1.893 -5.574 -6.061 1.00 0.00 N ATOM 380 CA GLU A 29 -2.697 -6.445 -6.910 1.00 0.00 C ATOM 381 C GLU A 29 -3.655 -7.288 -6.074 1.00 0.00 C ATOM 382 O GLU A 29 -3.400 -7.555 -4.899 1.00 0.00 O ATOM 383 CB GLU A 29 -1.793 -7.357 -7.743 1.00 0.00 C ATOM 384 CG GLU A 29 -1.194 -6.672 -8.960 1.00 0.00 C ATOM 385 CD GLU A 29 -0.863 -7.645 -10.074 1.00 0.00 C ATOM 386 OE1 GLU A 29 -0.715 -8.851 -9.783 1.00 0.00 O ATOM 387 OE2 GLU A 29 -0.753 -7.203 -11.237 1.00 0.00 O ATOM 0 H GLU A 29 -1.776 -5.908 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.284 -5.816 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.986 -7.729 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.368 -8.224 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.894 -5.924 -9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.288 -6.142 -8.665 1.00 0.00 H new ATOM 394 N VAL A 30 -4.759 -7.705 -6.687 1.00 0.00 N ATOM 395 CA VAL A 30 -5.755 -8.517 -6.000 1.00 0.00 C ATOM 396 C VAL A 30 -5.286 -9.961 -5.865 1.00 0.00 C ATOM 397 O VAL A 30 -4.732 -10.550 -6.793 1.00 0.00 O ATOM 398 CB VAL A 30 -7.105 -8.494 -6.742 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.257 -8.636 -5.758 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.244 -7.216 -7.556 1.00 0.00 C ATOM 0 H VAL A 30 -4.985 -7.493 -7.659 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.887 -8.086 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.137 -9.340 -7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.203 -8.618 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.164 -9.581 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.231 -7.811 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.203 -7.217 -8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.191 -6.354 -6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.437 -7.161 -8.287 1.00 0.00 H new ATOM 410 N PRO A 31 -5.515 -10.548 -4.680 1.00 0.00 N ATOM 411 CA PRO A 31 -5.126 -11.932 -4.395 1.00 0.00 C ATOM 412 C PRO A 31 -5.966 -12.943 -5.168 1.00 0.00 C ATOM 413 O PRO A 31 -6.700 -12.580 -6.089 1.00 0.00 O ATOM 414 CB PRO A 31 -5.377 -12.068 -2.891 1.00 0.00 C ATOM 415 CG PRO A 31 -6.423 -11.052 -2.588 1.00 0.00 C ATOM 416 CD PRO A 31 -6.173 -9.907 -3.529 1.00 0.00 C ATOM 0 HA PRO A 31 -4.096 -12.134 -4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.715 -13.072 -2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.468 -11.882 -2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.421 -11.465 -2.732 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.360 -10.725 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.102 -9.416 -3.820 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.538 -9.146 -3.076 1.00 0.00 H new ATOM 424 N LEU A 32 -5.855 -14.211 -4.789 1.00 0.00 N ATOM 425 CA LEU A 32 -6.606 -15.274 -5.448 1.00 0.00 C ATOM 426 C LEU A 32 -7.841 -15.652 -4.636 1.00 0.00 C ATOM 427 O LEU A 32 -7.805 -16.577 -3.826 1.00 0.00 O ATOM 428 CB LEU A 32 -5.718 -16.504 -5.648 1.00 0.00 C ATOM 429 CG LEU A 32 -4.745 -16.445 -6.826 1.00 0.00 C ATOM 430 CD1 LEU A 32 -3.667 -17.509 -6.683 1.00 0.00 C ATOM 431 CD2 LEU A 32 -5.491 -16.613 -8.142 1.00 0.00 C ATOM 0 H LEU A 32 -5.253 -14.528 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.932 -14.906 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.143 -16.665 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.361 -17.375 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.263 -15.467 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.984 -17.451 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.113 -17.344 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.130 -18.495 -6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.783 -16.568 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.000 -17.577 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.225 -15.814 -8.249 1.00 0.00 H new ATOM 443 N SER A 33 -8.934 -14.931 -4.862 1.00 0.00 N ATOM 444 CA SER A 33 -10.181 -15.189 -4.151 1.00 0.00 C ATOM 445 C SER A 33 -11.227 -15.788 -5.087 1.00 0.00 C ATOM 446 O SER A 33 -11.642 -15.154 -6.056 1.00 0.00 O ATOM 447 CB SER A 33 -10.716 -13.897 -3.530 1.00 0.00 C ATOM 448 OG SER A 33 -11.100 -12.971 -4.531 1.00 0.00 O ATOM 0 H SER A 33 -8.982 -14.163 -5.532 1.00 0.00 H new ATOM 0 HA SER A 33 -9.975 -15.907 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.571 -14.123 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.952 -13.452 -2.893 1.00 0.00 H new ATOM 0 HG SER A 33 -11.345 -13.455 -5.347 1.00 0.00 H new ATOM 454 N ASN A 34 -11.648 -17.013 -4.788 1.00 0.00 N ATOM 455 CA ASN A 34 -12.644 -17.698 -5.603 1.00 0.00 C ATOM 456 C ASN A 34 -14.005 -17.694 -4.914 1.00 0.00 C ATOM 457 O ASN A 34 -14.566 -18.749 -4.619 1.00 0.00 O ATOM 458 CB ASN A 34 -12.204 -19.136 -5.881 1.00 0.00 C ATOM 459 CG ASN A 34 -11.352 -19.707 -4.763 1.00 0.00 C ATOM 460 OD1 ASN A 34 -11.739 -19.428 -3.524 1.00 0.00 O flip ATOM 461 ND2 ASN A 34 -10.360 -20.391 -5.011 1.00 0.00 N flip ATOM 0 H ASN A 34 -11.315 -17.551 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.734 -17.164 -6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.085 -19.762 -6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.642 -19.167 -6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.100 -20.580 -5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.798 -20.769 -4.249 1.00 0.00 H new ATOM 468 N GLY A 35 -14.531 -16.500 -4.660 1.00 0.00 N ATOM 469 CA GLY A 35 -15.822 -16.381 -4.007 1.00 0.00 C ATOM 470 C GLY A 35 -16.286 -14.943 -3.897 1.00 0.00 C ATOM 471 O GLY A 35 -17.181 -14.512 -4.625 1.00 0.00 O ATOM 0 H GLY A 35 -14.086 -15.613 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.562 -16.956 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.763 -16.818 -3.010 1.00 0.00 H new ATOM 475 N THR A 36 -15.677 -14.195 -2.982 1.00 0.00 N ATOM 476 CA THR A 36 -16.034 -12.797 -2.775 1.00 0.00 C ATOM 477 C THR A 36 -15.267 -11.887 -3.728 1.00 0.00 C ATOM 478 O THR A 36 -14.160 -12.214 -4.157 1.00 0.00 O ATOM 479 CB THR A 36 -15.757 -12.354 -1.326 1.00 0.00 C ATOM 480 OG1 THR A 36 -14.505 -12.889 -0.881 1.00 0.00 O ATOM 481 CG2 THR A 36 -16.871 -12.815 -0.397 1.00 0.00 C ATOM 0 H THR A 36 -14.933 -14.535 -2.372 1.00 0.00 H new ATOM 0 HA THR A 36 -17.102 -12.711 -2.975 1.00 0.00 H new ATOM 0 HB THR A 36 -15.714 -11.265 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.335 -12.601 0.040 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.654 -12.491 0.621 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.818 -12.383 -0.721 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.941 -13.902 -0.424 1.00 0.00 H new ATOM 489 N ASP A 37 -15.861 -10.745 -4.055 1.00 0.00 N ATOM 490 CA ASP A 37 -15.233 -9.787 -4.957 1.00 0.00 C ATOM 491 C ASP A 37 -14.796 -8.536 -4.201 1.00 0.00 C ATOM 492 O ASP A 37 -15.602 -7.887 -3.534 1.00 0.00 O ATOM 493 CB ASP A 37 -16.195 -9.407 -6.083 1.00 0.00 C ATOM 494 CG ASP A 37 -16.293 -10.482 -7.147 1.00 0.00 C ATOM 495 OD1 ASP A 37 -16.470 -11.663 -6.784 1.00 0.00 O ATOM 496 OD2 ASP A 37 -16.193 -10.141 -8.345 1.00 0.00 O ATOM 0 H ASP A 37 -16.777 -10.460 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.349 -10.257 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.185 -9.222 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.864 -8.475 -6.541 1.00 0.00 H new ATOM 501 N VAL A 38 -13.513 -8.202 -4.308 1.00 0.00 N ATOM 502 CA VAL A 38 -12.968 -7.030 -3.635 1.00 0.00 C ATOM 503 C VAL A 38 -13.722 -5.766 -4.036 1.00 0.00 C ATOM 504 O VAL A 38 -13.866 -5.466 -5.221 1.00 0.00 O ATOM 505 CB VAL A 38 -11.472 -6.844 -3.953 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.884 -5.722 -3.112 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.716 -8.144 -3.727 1.00 0.00 C ATOM 0 H VAL A 38 -12.832 -8.728 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.086 -7.197 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.371 -6.569 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.827 -5.605 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.410 -4.792 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.993 -5.964 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.661 -7.996 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.822 -8.450 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.123 -8.919 -4.376 1.00 0.00 H new ATOM 517 N THR A 39 -14.202 -5.028 -3.040 1.00 0.00 N ATOM 518 CA THR A 39 -14.941 -3.798 -3.288 1.00 0.00 C ATOM 519 C THR A 39 -13.995 -2.621 -3.501 1.00 0.00 C ATOM 520 O THR A 39 -14.105 -1.898 -4.490 1.00 0.00 O ATOM 521 CB THR A 39 -15.895 -3.471 -2.123 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.165 -3.421 -0.892 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.000 -4.511 -2.020 1.00 0.00 C ATOM 0 H THR A 39 -14.092 -5.262 -2.053 1.00 0.00 H new ATOM 0 HA THR A 39 -15.526 -3.958 -4.193 1.00 0.00 H new ATOM 0 HB THR A 39 -16.349 -2.499 -2.316 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.778 -3.211 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.661 -4.259 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.572 -4.527 -2.948 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.560 -5.493 -1.848 1.00 0.00 H new ATOM 531 N GLU A 40 -13.068 -2.437 -2.568 1.00 0.00 N ATOM 532 CA GLU A 40 -12.102 -1.347 -2.655 1.00 0.00 C ATOM 533 C GLU A 40 -10.758 -1.763 -2.065 1.00 0.00 C ATOM 534 O GLU A 40 -10.590 -2.895 -1.610 1.00 0.00 O ATOM 535 CB GLU A 40 -12.631 -0.109 -1.926 1.00 0.00 C ATOM 536 CG GLU A 40 -12.411 -0.147 -0.424 1.00 0.00 C ATOM 537 CD GLU A 40 -13.470 0.624 0.340 1.00 0.00 C ATOM 538 OE1 GLU A 40 -13.522 1.863 0.193 1.00 0.00 O ATOM 539 OE2 GLU A 40 -14.246 -0.011 1.085 1.00 0.00 O ATOM 0 H GLU A 40 -12.964 -3.028 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.957 -1.106 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.145 0.777 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.698 -0.008 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.408 -1.184 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.429 0.266 -0.194 1.00 0.00 H new ATOM 546 N TYR A 41 -9.803 -0.839 -2.076 1.00 0.00 N ATOM 547 CA TYR A 41 -8.473 -1.109 -1.546 1.00 0.00 C ATOM 548 C TYR A 41 -8.032 -0.003 -0.592 1.00 0.00 C ATOM 549 O TYR A 41 -7.892 1.155 -0.989 1.00 0.00 O ATOM 550 CB TYR A 41 -7.463 -1.246 -2.687 1.00 0.00 C ATOM 551 CG TYR A 41 -7.837 -2.302 -3.702 1.00 0.00 C ATOM 552 CD1 TYR A 41 -8.673 -2.002 -4.771 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.355 -3.601 -3.593 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.018 -2.964 -5.700 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.693 -4.568 -4.518 1.00 0.00 C ATOM 556 CZ TYR A 41 -8.525 -4.246 -5.570 1.00 0.00 C ATOM 557 OH TYR A 41 -8.866 -5.208 -6.493 1.00 0.00 O ATOM 0 H TYR A 41 -9.926 0.103 -2.446 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.515 -2.047 -0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.366 -0.285 -3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.485 -1.486 -2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.060 -0.999 -4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.705 -3.858 -2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.670 -2.714 -6.524 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.308 -5.572 -4.419 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.024 -4.785 -7.363 1.00 0.00 H new ATOM 567 N ARG A 42 -7.813 -0.369 0.667 1.00 0.00 N ATOM 568 CA ARG A 42 -7.388 0.592 1.678 1.00 0.00 C ATOM 569 C ARG A 42 -5.874 0.545 1.870 1.00 0.00 C ATOM 570 O ARG A 42 -5.350 -0.347 2.537 1.00 0.00 O ATOM 571 CB ARG A 42 -8.091 0.309 3.008 1.00 0.00 C ATOM 572 CG ARG A 42 -9.434 1.006 3.147 1.00 0.00 C ATOM 573 CD ARG A 42 -10.112 0.651 4.461 1.00 0.00 C ATOM 574 NE ARG A 42 -11.441 1.246 4.570 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.157 1.247 5.688 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.674 0.686 6.788 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.359 1.809 5.708 1.00 0.00 N ATOM 0 H ARG A 42 -7.923 -1.323 1.011 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.663 1.589 1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.237 -0.766 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.442 0.622 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.293 2.085 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.080 0.724 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.192 -0.433 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.493 0.991 5.291 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.842 1.685 3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.751 0.253 6.776 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.226 0.688 7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.734 2.241 4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.908 1.809 6.568 1.00 0.00 H new ATOM 591 N LEU A 43 -5.180 1.513 1.282 1.00 0.00 N ATOM 592 CA LEU A 43 -3.726 1.582 1.388 1.00 0.00 C ATOM 593 C LEU A 43 -3.307 2.543 2.497 1.00 0.00 C ATOM 594 O LEU A 43 -3.678 3.716 2.487 1.00 0.00 O ATOM 595 CB LEU A 43 -3.119 2.027 0.056 1.00 0.00 C ATOM 596 CG LEU A 43 -1.623 2.337 0.071 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.810 1.060 -0.079 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.272 3.327 -1.032 1.00 0.00 C ATOM 0 H LEU A 43 -5.599 2.260 0.728 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.356 0.587 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.300 1.246 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.651 2.916 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.376 2.790 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.253 1.302 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.039 0.384 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.061 0.578 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.203 3.536 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.535 2.901 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.827 4.253 -0.880 1.00 0.00 H new ATOM 610 N GLU A 44 -2.528 2.036 3.448 1.00 0.00 N ATOM 611 CA GLU A 44 -2.057 2.851 4.562 1.00 0.00 C ATOM 612 C GLU A 44 -0.576 3.185 4.403 1.00 0.00 C ATOM 613 O GLU A 44 0.239 2.312 4.108 1.00 0.00 O ATOM 614 CB GLU A 44 -2.288 2.123 5.888 1.00 0.00 C ATOM 615 CG GLU A 44 -3.757 1.957 6.243 1.00 0.00 C ATOM 616 CD GLU A 44 -3.980 1.791 7.733 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.282 2.468 8.517 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.856 0.986 8.116 1.00 0.00 O ATOM 0 H GLU A 44 -2.210 1.067 3.469 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.624 3.782 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.821 1.139 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.790 2.673 6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.313 2.826 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.158 1.089 5.720 1.00 0.00 H new ATOM 625 N TRP A 45 -0.238 4.453 4.603 1.00 0.00 N ATOM 626 CA TRP A 45 1.144 4.903 4.482 1.00 0.00 C ATOM 627 C TRP A 45 1.436 6.036 5.460 1.00 0.00 C ATOM 628 O TRP A 45 0.799 7.087 5.415 1.00 0.00 O ATOM 629 CB TRP A 45 1.430 5.362 3.052 1.00 0.00 C ATOM 630 CG TRP A 45 2.851 5.786 2.835 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.536 6.742 3.530 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.761 5.269 1.859 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.816 6.851 3.043 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.979 5.956 2.017 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.665 4.289 0.866 1.00 0.00 C ATOM 636 CZ2 TRP A 45 6.091 5.697 1.220 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.769 4.033 0.076 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.969 4.732 0.257 1.00 0.00 C ATOM 0 H TRP A 45 -0.901 5.188 4.850 1.00 0.00 H new ATOM 0 HA TRP A 45 1.795 4.063 4.723 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.192 4.551 2.364 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.769 6.193 2.806 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.131 7.326 4.343 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.529 7.493 3.388 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.745 3.743 0.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.016 6.238 1.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.706 3.280 -0.695 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.815 4.505 -0.376 1.00 0.00 H new ATOM 649 N GLY A 46 2.404 5.814 6.346 1.00 0.00 N ATOM 650 CA GLY A 46 2.761 6.825 7.322 1.00 0.00 C ATOM 651 C GLY A 46 4.247 6.841 7.622 1.00 0.00 C ATOM 652 O GLY A 46 4.971 5.914 7.260 1.00 0.00 O ATOM 0 H GLY A 46 2.946 4.952 6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.457 7.805 6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.209 6.646 8.245 1.00 0.00 H new ATOM 656 N GLY A 47 4.705 7.897 8.287 1.00 0.00 N ATOM 657 CA GLY A 47 6.112 8.011 8.623 1.00 0.00 C ATOM 658 C GLY A 47 6.695 6.704 9.122 1.00 0.00 C ATOM 659 O GLY A 47 7.493 6.069 8.432 1.00 0.00 O ATOM 0 H GLY A 47 4.126 8.676 8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.667 8.341 7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.239 8.778 9.387 1.00 0.00 H new ATOM 663 N VAL A 48 6.300 6.300 10.324 1.00 0.00 N ATOM 664 CA VAL A 48 6.789 5.061 10.915 1.00 0.00 C ATOM 665 C VAL A 48 5.648 4.078 11.155 1.00 0.00 C ATOM 666 O VAL A 48 4.476 4.437 11.054 1.00 0.00 O ATOM 667 CB VAL A 48 7.517 5.321 12.247 1.00 0.00 C ATOM 668 CG1 VAL A 48 8.596 4.276 12.480 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.106 6.723 12.266 1.00 0.00 C ATOM 0 H VAL A 48 5.641 6.814 10.909 1.00 0.00 H new ATOM 0 HA VAL A 48 7.493 4.629 10.204 1.00 0.00 H new ATOM 0 HB VAL A 48 6.793 5.245 13.058 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.099 4.477 13.426 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.142 3.286 12.514 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.322 4.315 11.668 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.617 6.890 13.214 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.817 6.830 11.447 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.307 7.455 12.150 1.00 0.00 H new ATOM 679 N GLU A 49 6.001 2.836 11.474 1.00 0.00 N ATOM 680 CA GLU A 49 5.006 1.801 11.728 1.00 0.00 C ATOM 681 C GLU A 49 4.050 2.227 12.838 1.00 0.00 C ATOM 682 O GLU A 49 2.862 1.911 12.805 1.00 0.00 O ATOM 683 CB GLU A 49 5.690 0.486 12.106 1.00 0.00 C ATOM 684 CG GLU A 49 6.755 0.047 11.115 1.00 0.00 C ATOM 685 CD GLU A 49 6.185 -0.769 9.970 1.00 0.00 C ATOM 686 OE1 GLU A 49 5.252 -0.281 9.299 1.00 0.00 O ATOM 687 OE2 GLU A 49 6.674 -1.896 9.745 1.00 0.00 O ATOM 0 H GLU A 49 6.968 2.523 11.562 1.00 0.00 H new ATOM 0 HA GLU A 49 4.431 1.653 10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.144 0.593 13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.935 -0.296 12.186 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.258 0.927 10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.510 -0.542 11.636 1.00 0.00 H new ATOM 694 N GLY A 50 4.579 2.948 13.823 1.00 0.00 N ATOM 695 CA GLY A 50 3.760 3.405 14.930 1.00 0.00 C ATOM 696 C GLY A 50 2.770 4.474 14.516 1.00 0.00 C ATOM 697 O GLY A 50 1.817 4.763 15.241 1.00 0.00 O ATOM 0 H GLY A 50 5.560 3.223 13.873 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.220 2.558 15.352 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.404 3.796 15.717 1.00 0.00 H new ATOM 701 N SER A 51 2.995 5.067 13.348 1.00 0.00 N ATOM 702 CA SER A 51 2.118 6.115 12.840 1.00 0.00 C ATOM 703 C SER A 51 1.732 5.846 11.389 1.00 0.00 C ATOM 704 O SER A 51 2.514 6.089 10.471 1.00 0.00 O ATOM 705 CB SER A 51 2.801 7.479 12.953 1.00 0.00 C ATOM 706 OG SER A 51 2.197 8.425 12.087 1.00 0.00 O ATOM 0 H SER A 51 3.778 4.839 12.735 1.00 0.00 H new ATOM 0 HA SER A 51 1.211 6.119 13.444 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.743 7.834 13.982 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.859 7.381 12.709 1.00 0.00 H new ATOM 0 HG SER A 51 2.650 9.289 12.179 1.00 0.00 H new ATOM 712 N MET A 52 0.519 5.340 11.190 1.00 0.00 N ATOM 713 CA MET A 52 0.027 5.038 9.850 1.00 0.00 C ATOM 714 C MET A 52 -1.477 5.278 9.756 1.00 0.00 C ATOM 715 O MET A 52 -2.218 4.996 10.697 1.00 0.00 O ATOM 716 CB MET A 52 0.348 3.589 9.481 1.00 0.00 C ATOM 717 CG MET A 52 1.822 3.347 9.200 1.00 0.00 C ATOM 718 SD MET A 52 2.163 1.647 8.701 1.00 0.00 S ATOM 719 CE MET A 52 1.757 1.716 6.959 1.00 0.00 C ATOM 0 H MET A 52 -0.141 5.131 11.939 1.00 0.00 H new ATOM 0 HA MET A 52 0.528 5.704 9.147 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.029 2.936 10.294 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.232 3.309 8.602 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.155 4.026 8.415 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.402 3.583 10.092 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.205 0.865 6.447 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.674 1.684 6.836 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.144 2.641 6.532 1.00 0.00 H new ATOM 729 N GLN A 53 -1.918 5.801 8.616 1.00 0.00 N ATOM 730 CA GLN A 53 -3.333 6.079 8.402 1.00 0.00 C ATOM 731 C GLN A 53 -3.706 5.899 6.934 1.00 0.00 C ATOM 732 O GLN A 53 -2.835 5.754 6.075 1.00 0.00 O ATOM 733 CB GLN A 53 -3.669 7.501 8.855 1.00 0.00 C ATOM 734 CG GLN A 53 -2.901 8.577 8.104 1.00 0.00 C ATOM 735 CD GLN A 53 -1.545 8.863 8.720 1.00 0.00 C ATOM 736 OE1 GLN A 53 -1.452 9.394 9.827 1.00 0.00 O ATOM 737 NE2 GLN A 53 -0.483 8.509 8.005 1.00 0.00 N ATOM 0 H GLN A 53 -1.317 6.040 7.828 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.911 5.370 8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.738 7.672 8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.459 7.593 9.921 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.767 8.266 7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.490 9.494 8.088 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.606 8.071 7.092 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.455 8.675 8.369 1.00 0.00 H new ATOM 746 N ILE A 54 -5.005 5.909 6.654 1.00 0.00 N ATOM 747 CA ILE A 54 -5.493 5.747 5.289 1.00 0.00 C ATOM 748 C ILE A 54 -5.099 6.936 4.421 1.00 0.00 C ATOM 749 O ILE A 54 -5.609 8.044 4.598 1.00 0.00 O ATOM 750 CB ILE A 54 -7.024 5.584 5.255 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.465 4.495 6.236 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.490 5.254 3.845 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.392 3.098 5.661 1.00 0.00 C ATOM 0 H ILE A 54 -5.738 6.027 7.353 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.031 4.843 4.893 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.482 6.526 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.840 4.545 7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.488 4.696 6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.574 5.142 3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.204 6.060 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.027 4.324 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.719 2.378 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.039 3.030 4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.365 2.878 5.370 1.00 0.00 H new ATOM 765 N CYS A 55 -4.192 6.700 3.479 1.00 0.00 N ATOM 766 CA CYS A 55 -3.731 7.752 2.581 1.00 0.00 C ATOM 767 C CYS A 55 -4.592 7.809 1.323 1.00 0.00 C ATOM 768 O CYS A 55 -4.979 8.888 0.872 1.00 0.00 O ATOM 769 CB CYS A 55 -2.267 7.522 2.201 1.00 0.00 C ATOM 770 SG CYS A 55 -1.083 8.305 3.320 1.00 0.00 S ATOM 0 H CYS A 55 -3.762 5.789 3.318 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.818 8.705 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.073 6.450 2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.101 7.899 1.192 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.515 7.396 4.056 1.00 0.00 H new ATOM 776 N TYR A 56 -4.887 6.643 0.762 1.00 0.00 N ATOM 777 CA TYR A 56 -5.700 6.560 -0.447 1.00 0.00 C ATOM 778 C TYR A 56 -6.720 5.430 -0.341 1.00 0.00 C ATOM 779 O TYR A 56 -6.431 4.367 0.209 1.00 0.00 O ATOM 780 CB TYR A 56 -4.809 6.343 -1.671 1.00 0.00 C ATOM 781 CG TYR A 56 -5.569 5.907 -2.903 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.884 4.571 -3.112 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.972 6.832 -3.858 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.577 4.168 -4.237 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.668 6.439 -4.985 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.967 5.105 -5.170 1.00 0.00 C ATOM 787 OH TYR A 56 -7.659 4.708 -6.291 1.00 0.00 O ATOM 0 H TYR A 56 -4.576 5.742 1.124 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.238 7.502 -0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.277 7.268 -1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.056 5.591 -1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.582 3.834 -2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.737 7.877 -3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.812 3.124 -4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.976 7.171 -5.716 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.859 5.490 -6.846 1.00 0.00 H new ATOM 797 N CYS A 57 -7.915 5.670 -0.870 1.00 0.00 N ATOM 798 CA CYS A 57 -8.980 4.675 -0.836 1.00 0.00 C ATOM 799 C CYS A 57 -9.702 4.604 -2.177 1.00 0.00 C ATOM 800 O CYS A 57 -10.021 5.631 -2.778 1.00 0.00 O ATOM 801 CB CYS A 57 -9.977 5.003 0.276 1.00 0.00 C ATOM 802 SG CYS A 57 -11.324 6.093 -0.237 1.00 0.00 S ATOM 0 H CYS A 57 -8.170 6.545 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.529 3.703 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.401 4.073 0.655 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.442 5.469 1.103 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.230 6.329 -1.512 1.00 0.00 H new ATOM 808 N GLY A 58 -9.956 3.386 -2.645 1.00 0.00 N ATOM 809 CA GLY A 58 -10.636 3.204 -3.913 1.00 0.00 C ATOM 810 C GLY A 58 -10.292 1.883 -4.571 1.00 0.00 C ATOM 811 O GLY A 58 -9.368 1.181 -4.160 1.00 0.00 O ATOM 0 H GLY A 58 -9.702 2.521 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.713 3.258 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.371 4.021 -4.584 1.00 0.00 H new ATOM 815 N PRO A 59 -11.050 1.524 -5.620 1.00 0.00 N ATOM 816 CA PRO A 59 -10.840 0.275 -6.357 1.00 0.00 C ATOM 817 C PRO A 59 -9.550 0.291 -7.170 1.00 0.00 C ATOM 818 O PRO A 59 -9.168 -0.714 -7.766 1.00 0.00 O ATOM 819 CB PRO A 59 -12.056 0.202 -7.283 1.00 0.00 C ATOM 820 CG PRO A 59 -12.482 1.618 -7.461 1.00 0.00 C ATOM 821 CD PRO A 59 -12.169 2.311 -6.164 1.00 0.00 C ATOM 0 HA PRO A 59 -10.743 -0.581 -5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.800 -0.257 -8.238 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.852 -0.399 -6.844 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.950 2.084 -8.291 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.546 1.680 -7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.889 3.352 -6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.026 2.310 -5.491 1.00 0.00 H new ATOM 829 N GLY A 60 -8.883 1.441 -7.190 1.00 0.00 N ATOM 830 CA GLY A 60 -7.643 1.566 -7.933 1.00 0.00 C ATOM 831 C GLY A 60 -6.616 0.526 -7.529 1.00 0.00 C ATOM 832 O GLY A 60 -6.696 -0.045 -6.440 1.00 0.00 O ATOM 0 H GLY A 60 -9.179 2.288 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.851 1.472 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.228 2.562 -7.776 1.00 0.00 H new ATOM 836 N LEU A 61 -5.652 0.276 -8.406 1.00 0.00 N ATOM 837 CA LEU A 61 -4.607 -0.705 -8.137 1.00 0.00 C ATOM 838 C LEU A 61 -3.233 -0.042 -8.108 1.00 0.00 C ATOM 839 O LEU A 61 -2.224 -0.693 -7.837 1.00 0.00 O ATOM 840 CB LEU A 61 -4.631 -1.810 -9.194 1.00 0.00 C ATOM 841 CG LEU A 61 -5.904 -2.654 -9.254 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.951 -3.459 -10.543 1.00 0.00 C ATOM 843 CD2 LEU A 61 -5.989 -3.575 -8.044 1.00 0.00 C ATOM 0 H LEU A 61 -5.572 0.739 -9.311 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.799 -1.145 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.475 -1.353 -10.171 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.786 -2.475 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.763 -1.984 -9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.864 -4.053 -10.568 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.936 -2.781 -11.396 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.086 -4.121 -10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.901 -4.169 -8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.124 -4.238 -8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.003 -2.978 -7.132 1.00 0.00 H new ATOM 855 N SER A 62 -3.202 1.256 -8.389 1.00 0.00 N ATOM 856 CA SER A 62 -1.952 2.007 -8.397 1.00 0.00 C ATOM 857 C SER A 62 -2.166 3.424 -7.874 1.00 0.00 C ATOM 858 O SER A 62 -3.112 4.106 -8.265 1.00 0.00 O ATOM 859 CB SER A 62 -1.371 2.056 -9.811 1.00 0.00 C ATOM 860 OG SER A 62 -2.289 2.642 -10.719 1.00 0.00 O ATOM 0 H SER A 62 -4.028 1.810 -8.614 1.00 0.00 H new ATOM 0 HA SER A 62 -1.247 1.498 -7.739 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.443 2.628 -9.807 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.122 1.047 -10.141 1.00 0.00 H new ATOM 0 HG SER A 62 -1.894 2.663 -11.616 1.00 0.00 H new ATOM 866 N TYR A 63 -1.279 3.860 -6.985 1.00 0.00 N ATOM 867 CA TYR A 63 -1.370 5.194 -6.405 1.00 0.00 C ATOM 868 C TYR A 63 0.017 5.795 -6.199 1.00 0.00 C ATOM 869 O TYR A 63 0.951 5.103 -5.797 1.00 0.00 O ATOM 870 CB TYR A 63 -2.119 5.143 -5.073 1.00 0.00 C ATOM 871 CG TYR A 63 -2.237 6.488 -4.392 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.140 7.442 -4.847 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.446 6.807 -3.296 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.252 8.672 -4.230 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.551 8.035 -2.671 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.455 8.964 -3.142 1.00 0.00 C ATOM 877 OH TYR A 63 -2.563 10.188 -2.523 1.00 0.00 O ATOM 0 H TYR A 63 -0.489 3.308 -6.651 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.921 5.828 -7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.118 4.742 -5.243 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.607 4.450 -4.405 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.765 7.217 -5.698 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.736 6.082 -2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.959 9.401 -4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.929 8.266 -1.819 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.933 10.232 -1.774 1.00 0.00 H new ATOM 887 N GLU A 64 0.141 7.089 -6.479 1.00 0.00 N ATOM 888 CA GLU A 64 1.413 7.784 -6.325 1.00 0.00 C ATOM 889 C GLU A 64 1.411 8.650 -5.068 1.00 0.00 C ATOM 890 O GLU A 64 0.440 9.353 -4.787 1.00 0.00 O ATOM 891 CB GLU A 64 1.699 8.650 -7.554 1.00 0.00 C ATOM 892 CG GLU A 64 3.179 8.896 -7.795 1.00 0.00 C ATOM 893 CD GLU A 64 3.439 10.168 -8.578 1.00 0.00 C ATOM 894 OE1 GLU A 64 3.475 10.099 -9.825 1.00 0.00 O ATOM 895 OE2 GLU A 64 3.608 11.231 -7.946 1.00 0.00 O ATOM 0 H GLU A 64 -0.623 7.676 -6.813 1.00 0.00 H new ATOM 0 HA GLU A 64 2.198 7.034 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.271 8.169 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.194 9.609 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.695 8.952 -6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.601 8.049 -8.335 1.00 0.00 H new ATOM 902 N ILE A 65 2.507 8.594 -4.317 1.00 0.00 N ATOM 903 CA ILE A 65 2.632 9.373 -3.091 1.00 0.00 C ATOM 904 C ILE A 65 3.704 10.448 -3.231 1.00 0.00 C ATOM 905 O ILE A 65 4.766 10.212 -3.808 1.00 0.00 O ATOM 906 CB ILE A 65 2.974 8.477 -1.887 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.750 7.662 -1.465 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.482 9.319 -0.726 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.095 6.397 -0.712 1.00 0.00 C ATOM 0 H ILE A 65 3.320 8.018 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 65 1.666 9.846 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 65 3.764 7.786 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.108 8.283 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.174 7.401 -2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.719 8.670 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.378 9.858 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.713 10.032 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.178 5.871 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.711 5.755 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.644 6.651 0.194 1.00 0.00 H new ATOM 921 N LYS A 66 3.420 11.632 -2.697 1.00 0.00 N ATOM 922 CA LYS A 66 4.359 12.745 -2.758 1.00 0.00 C ATOM 923 C LYS A 66 4.405 13.492 -1.429 1.00 0.00 C ATOM 924 O LYS A 66 3.583 13.256 -0.545 1.00 0.00 O ATOM 925 CB LYS A 66 3.970 13.707 -3.883 1.00 0.00 C ATOM 926 CG LYS A 66 4.089 13.101 -5.270 1.00 0.00 C ATOM 927 CD LYS A 66 3.878 14.144 -6.355 1.00 0.00 C ATOM 928 CE LYS A 66 2.410 14.261 -6.736 1.00 0.00 C ATOM 929 NZ LYS A 66 2.217 15.100 -7.951 1.00 0.00 N ATOM 0 H LYS A 66 2.546 11.845 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 66 5.350 12.340 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.943 14.038 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.603 14.593 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.073 12.648 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.355 12.303 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.243 15.111 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.464 13.879 -7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.000 13.266 -6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.852 14.692 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.203 15.155 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.585 16.057 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.728 14.675 -8.751 1.00 0.00 H new ATOM 943 N GLY A 67 5.372 14.395 -1.296 1.00 0.00 N ATOM 944 CA GLY A 67 5.505 15.164 -0.072 1.00 0.00 C ATOM 945 C GLY A 67 6.273 14.418 1.000 1.00 0.00 C ATOM 946 O GLY A 67 6.082 14.658 2.193 1.00 0.00 O ATOM 0 H GLY A 67 6.065 14.608 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.012 16.104 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.514 15.416 0.305 1.00 0.00 H new ATOM 950 N LEU A 68 7.143 13.506 0.577 1.00 0.00 N ATOM 951 CA LEU A 68 7.941 12.719 1.511 1.00 0.00 C ATOM 952 C LEU A 68 9.285 13.390 1.777 1.00 0.00 C ATOM 953 O LEU A 68 9.640 14.372 1.125 1.00 0.00 O ATOM 954 CB LEU A 68 8.162 11.310 0.961 1.00 0.00 C ATOM 955 CG LEU A 68 6.910 10.567 0.493 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.288 9.348 -0.333 1.00 0.00 C ATOM 957 CD2 LEU A 68 6.055 10.161 1.685 1.00 0.00 C ATOM 0 H LEU A 68 7.313 13.294 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 68 7.395 12.653 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.857 11.374 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.647 10.713 1.733 1.00 0.00 H new ATOM 0 HG LEU A 68 6.327 11.239 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.383 8.833 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.858 9.663 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.894 8.673 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.168 9.633 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.631 9.507 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.753 11.052 2.236 1.00 0.00 H new ATOM 969 N SER A 69 10.029 12.852 2.738 1.00 0.00 N ATOM 970 CA SER A 69 11.333 13.400 3.092 1.00 0.00 C ATOM 971 C SER A 69 12.446 12.409 2.759 1.00 0.00 C ATOM 972 O SER A 69 12.292 11.196 2.892 1.00 0.00 O ATOM 973 CB SER A 69 11.376 13.751 4.581 1.00 0.00 C ATOM 974 OG SER A 69 10.862 15.051 4.813 1.00 0.00 O ATOM 0 H SER A 69 9.751 12.037 3.285 1.00 0.00 H new ATOM 0 HA SER A 69 11.490 14.307 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.797 13.021 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.403 13.693 4.942 1.00 0.00 H new ATOM 0 HG SER A 69 10.899 15.251 5.772 1.00 0.00 H new ATOM 980 N PRO A 70 13.595 12.940 2.317 1.00 0.00 N ATOM 981 CA PRO A 70 14.757 12.123 1.956 1.00 0.00 C ATOM 982 C PRO A 70 15.411 11.475 3.172 1.00 0.00 C ATOM 983 O PRO A 70 15.270 11.959 4.295 1.00 0.00 O ATOM 984 CB PRO A 70 15.712 13.129 1.308 1.00 0.00 C ATOM 985 CG PRO A 70 15.333 14.444 1.897 1.00 0.00 C ATOM 986 CD PRO A 70 13.850 14.379 2.135 1.00 0.00 C ATOM 0 HA PRO A 70 14.484 11.293 1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.752 12.883 1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.604 13.135 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.870 14.624 2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.584 15.261 1.221 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.559 14.953 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.290 14.783 1.292 1.00 0.00 H new ATOM 994 N ALA A 71 16.126 10.380 2.941 1.00 0.00 N ATOM 995 CA ALA A 71 16.804 9.668 4.018 1.00 0.00 C ATOM 996 C ALA A 71 15.853 9.394 5.177 1.00 0.00 C ATOM 997 O ALA A 71 16.212 9.564 6.343 1.00 0.00 O ATOM 998 CB ALA A 71 18.009 10.462 4.498 1.00 0.00 C ATOM 0 H ALA A 71 16.251 9.966 2.017 1.00 0.00 H new ATOM 0 HA ALA A 71 17.146 8.709 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.506 9.919 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.705 10.603 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.681 11.434 4.866 1.00 0.00 H new ATOM 1004 N THR A 72 14.636 8.968 4.851 1.00 0.00 N ATOM 1005 CA THR A 72 13.632 8.672 5.866 1.00 0.00 C ATOM 1006 C THR A 72 12.962 7.328 5.600 1.00 0.00 C ATOM 1007 O THR A 72 12.616 7.009 4.462 1.00 0.00 O ATOM 1008 CB THR A 72 12.553 9.768 5.925 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.166 11.049 6.110 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.572 9.501 7.057 1.00 0.00 C ATOM 0 H THR A 72 14.322 8.820 3.892 1.00 0.00 H new ATOM 0 HA THR A 72 14.152 8.633 6.823 1.00 0.00 H new ATOM 0 HB THR A 72 12.006 9.760 4.982 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.727 11.258 5.334 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.819 10.289 7.079 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.086 8.538 6.898 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.108 9.484 8.006 1.00 0.00 H new ATOM 1018 N THR A 73 12.780 6.543 6.658 1.00 0.00 N ATOM 1019 CA THR A 73 12.152 5.234 6.539 1.00 0.00 C ATOM 1020 C THR A 73 10.632 5.355 6.499 1.00 0.00 C ATOM 1021 O THR A 73 10.036 6.078 7.298 1.00 0.00 O ATOM 1022 CB THR A 73 12.550 4.311 7.706 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.952 4.433 7.969 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.213 2.863 7.389 1.00 0.00 C ATOM 0 H THR A 73 13.059 6.792 7.607 1.00 0.00 H new ATOM 0 HA THR A 73 12.505 4.799 5.604 1.00 0.00 H new ATOM 0 HB THR A 73 11.987 4.613 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.198 3.845 8.713 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.503 2.230 8.228 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.141 2.768 7.217 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.753 2.551 6.495 1.00 0.00 H new ATOM 1032 N TYR A 74 10.011 4.644 5.565 1.00 0.00 N ATOM 1033 CA TYR A 74 8.561 4.673 5.419 1.00 0.00 C ATOM 1034 C TYR A 74 7.990 3.260 5.360 1.00 0.00 C ATOM 1035 O TYR A 74 8.721 2.291 5.149 1.00 0.00 O ATOM 1036 CB TYR A 74 8.169 5.447 4.159 1.00 0.00 C ATOM 1037 CG TYR A 74 8.261 6.948 4.316 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.201 7.677 4.839 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.407 7.637 3.941 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.278 9.048 4.985 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.496 9.009 4.084 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.429 9.710 4.606 1.00 0.00 C ATOM 1043 OH TYR A 74 8.512 11.076 4.749 1.00 0.00 O ATOM 0 H TYR A 74 10.490 4.040 4.897 1.00 0.00 H new ATOM 0 HA TYR A 74 8.144 5.177 6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.814 5.136 3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.149 5.181 3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.300 7.162 5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.244 7.091 3.530 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.443 9.599 5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.395 9.529 3.789 1.00 0.00 H new ATOM 0 HH TYR A 74 9.344 11.306 5.212 1.00 0.00 H new ATOM 1053 N TYR A 75 6.680 3.150 5.546 1.00 0.00 N ATOM 1054 CA TYR A 75 6.010 1.855 5.516 1.00 0.00 C ATOM 1055 C TYR A 75 4.661 1.957 4.810 1.00 0.00 C ATOM 1056 O TYR A 75 4.015 3.006 4.827 1.00 0.00 O ATOM 1057 CB TYR A 75 5.815 1.325 6.937 1.00 0.00 C ATOM 1058 CG TYR A 75 7.080 1.338 7.766 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.558 2.517 8.320 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.796 0.169 7.995 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.713 2.534 9.078 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.950 0.175 8.752 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.406 1.361 9.292 1.00 0.00 C ATOM 1064 OH TYR A 75 10.557 1.372 10.045 1.00 0.00 O ATOM 0 H TYR A 75 6.060 3.942 5.719 1.00 0.00 H new ATOM 0 HA TYR A 75 6.640 1.161 4.960 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.055 1.925 7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.434 0.305 6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.018 3.438 8.156 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.443 -0.760 7.573 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.071 3.461 9.501 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.493 -0.743 8.921 1.00 0.00 H new ATOM 0 HH TYR A 75 10.921 0.464 10.099 1.00 0.00 H new ATOM 1074 N CYS A 76 4.241 0.858 4.190 1.00 0.00 N ATOM 1075 CA CYS A 76 2.969 0.822 3.478 1.00 0.00 C ATOM 1076 C CYS A 76 2.348 -0.570 3.544 1.00 0.00 C ATOM 1077 O CYS A 76 3.058 -1.574 3.605 1.00 0.00 O ATOM 1078 CB CYS A 76 3.165 1.237 2.019 1.00 0.00 C ATOM 1079 SG CYS A 76 4.000 -0.006 1.005 1.00 0.00 S ATOM 0 H CYS A 76 4.763 -0.018 4.167 1.00 0.00 H new ATOM 0 HA CYS A 76 2.291 1.526 3.960 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.191 1.454 1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.741 2.162 1.990 1.00 0.00 H new ATOM 0 HG CYS A 76 4.118 0.435 -0.212 1.00 0.00 H new ATOM 1085 N ARG A 77 1.021 -0.621 3.533 1.00 0.00 N ATOM 1086 CA ARG A 77 0.304 -1.890 3.595 1.00 0.00 C ATOM 1087 C ARG A 77 -1.056 -1.779 2.912 1.00 0.00 C ATOM 1088 O ARG A 77 -1.847 -0.889 3.220 1.00 0.00 O ATOM 1089 CB ARG A 77 0.123 -2.326 5.050 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.751 -1.384 5.864 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.863 -1.840 7.310 1.00 0.00 C ATOM 1092 NE ARG A 77 0.279 -1.407 8.111 1.00 0.00 N ATOM 1093 CZ ARG A 77 0.329 -1.508 9.435 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -0.693 -2.027 10.102 1.00 0.00 N ATOM 1095 NH2 ARG A 77 1.403 -1.091 10.094 1.00 0.00 N ATOM 0 H ARG A 77 0.420 0.201 3.482 1.00 0.00 H new ATOM 0 HA ARG A 77 0.895 -2.640 3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.316 -3.323 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.102 -2.399 5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.334 -0.378 5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.745 -1.332 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.781 -1.445 7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.937 -2.927 7.343 1.00 0.00 H new ATOM 0 HE ARG A 77 1.082 -1.005 7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.519 -2.350 9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.653 -2.104 11.118 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.191 -0.692 9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.440 -1.169 11.110 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.320 -2.692 1.982 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.584 -2.698 1.254 1.00 0.00 C ATOM 1111 C VAL A 78 -3.404 -3.939 1.590 1.00 0.00 C ATOM 1112 O VAL A 78 -2.875 -5.049 1.641 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.356 -2.642 -0.267 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.669 -3.910 -0.752 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.675 -2.429 -0.995 1.00 0.00 C ATOM 0 H VAL A 78 -0.676 -3.437 1.715 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.133 -1.808 1.563 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.704 -1.797 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.516 -3.852 -1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.705 -4.015 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.293 -4.773 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.496 -2.392 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.353 -3.252 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.123 -1.490 -0.669 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.699 -3.742 1.816 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.592 -4.847 2.146 1.00 0.00 C ATOM 1127 C GLN A 79 -6.777 -4.894 1.188 1.00 0.00 C ATOM 1128 O GLN A 79 -7.085 -3.909 0.517 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.091 -4.713 3.587 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.263 -3.758 3.737 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.800 -3.712 5.155 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.892 -4.430 5.398 1.00 0.00 O flip ATOM 1133 NE2 GLN A 79 -7.241 -3.042 6.022 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.153 -2.829 1.777 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.031 -5.777 2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.385 -5.696 3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.270 -4.370 4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.952 -2.757 3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.062 -4.060 3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.405 -2.506 5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.614 -3.023 6.971 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.437 -6.045 1.127 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.590 -6.220 0.250 1.00 0.00 C ATOM 1144 C ALA A 80 -9.889 -6.238 1.049 1.00 0.00 C ATOM 1145 O ALA A 80 -10.062 -7.055 1.955 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.448 -7.501 -0.559 1.00 0.00 C ATOM 0 H ALA A 80 -7.194 -6.871 1.674 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.627 -5.373 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.315 -7.619 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.544 -7.450 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.383 -8.353 0.117 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.799 -5.333 0.709 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.084 -5.244 1.395 1.00 0.00 C ATOM 1154 C LEU A 81 -13.170 -5.975 0.614 1.00 0.00 C ATOM 1155 O LEU A 81 -13.150 -6.005 -0.617 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.479 -3.779 1.592 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.693 -3.009 2.653 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.427 -2.418 2.056 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.557 -1.916 3.267 1.00 0.00 C ATOM 0 H LEU A 81 -10.672 -4.650 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.981 -5.720 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.367 -3.262 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.537 -3.741 1.853 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.406 -3.705 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.881 -1.874 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.800 -3.220 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.690 -1.736 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.982 -1.378 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.874 -1.222 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.435 -2.364 3.733 1.00 0.00 H new ATOM 1171 N SER A 82 -14.118 -6.563 1.336 1.00 0.00 N ATOM 1172 CA SER A 82 -15.213 -7.296 0.711 1.00 0.00 C ATOM 1173 C SER A 82 -16.556 -6.874 1.300 1.00 0.00 C ATOM 1174 O SER A 82 -16.627 -5.956 2.117 1.00 0.00 O ATOM 1175 CB SER A 82 -15.014 -8.802 0.891 1.00 0.00 C ATOM 1176 OG SER A 82 -14.583 -9.106 2.206 1.00 0.00 O ATOM 0 H SER A 82 -14.150 -6.546 2.355 1.00 0.00 H new ATOM 0 HA SER A 82 -15.214 -7.062 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.948 -9.323 0.682 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.279 -9.163 0.171 1.00 0.00 H new ATOM 0 HG SER A 82 -14.759 -8.341 2.793 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.619 -7.551 0.876 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.960 -7.248 1.362 1.00 0.00 C ATOM 1184 C VAL A 83 -19.314 -8.106 2.571 1.00 0.00 C ATOM 1185 O VAL A 83 -20.402 -7.985 3.134 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.017 -7.468 0.263 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.906 -6.392 -0.808 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.872 -8.854 -0.346 1.00 0.00 C ATOM 0 H VAL A 83 -17.577 -8.312 0.198 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.961 -6.198 1.653 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.006 -7.397 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.660 -6.564 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.064 -5.412 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.914 -6.429 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.627 -8.992 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.879 -8.957 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.006 -9.608 0.430 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.387 -8.973 2.966 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.600 -9.851 4.110 1.00 0.00 C ATOM 1200 C VAL A 84 -17.581 -9.578 5.210 1.00 0.00 C ATOM 1201 O VAL A 84 -17.647 -10.161 6.291 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.515 -11.334 3.703 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -17.066 -11.792 3.654 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.323 -12.196 4.660 1.00 0.00 C ATOM 0 H VAL A 84 -17.481 -9.086 2.510 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.601 -9.642 4.487 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.939 -11.444 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.026 -12.842 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.520 -11.194 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.612 -11.669 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.252 -13.241 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.931 -12.083 5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.367 -11.883 4.639 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.636 -8.686 4.926 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.615 -8.351 5.901 1.00 0.00 C ATOM 1216 C GLY A 85 -14.392 -7.718 5.266 1.00 0.00 C ATOM 1217 O GLY A 85 -14.470 -7.166 4.168 1.00 0.00 O ATOM 0 H GLY A 85 -16.560 -8.190 4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.033 -7.666 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.317 -9.253 6.435 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.261 -7.797 5.957 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.016 -7.227 5.455 1.00 0.00 C ATOM 1223 C ALA A 86 -10.864 -8.215 5.597 1.00 0.00 C ATOM 1224 O ALA A 86 -10.830 -9.014 6.531 1.00 0.00 O ATOM 1225 CB ALA A 86 -11.697 -5.931 6.185 1.00 0.00 C ATOM 0 H ALA A 86 -13.180 -8.250 6.867 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.145 -7.011 4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.765 -5.517 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.505 -5.216 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.592 -6.130 7.251 1.00 0.00 H new ATOM 1231 N GLY A 87 -9.920 -8.155 4.661 1.00 0.00 N ATOM 1232 CA GLY A 87 -8.779 -9.051 4.700 1.00 0.00 C ATOM 1233 C GLY A 87 -7.608 -8.465 5.463 1.00 0.00 C ATOM 1234 O GLY A 87 -7.575 -7.274 5.773 1.00 0.00 O ATOM 0 H GLY A 87 -9.926 -7.502 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.076 -9.992 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.467 -9.281 3.681 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.618 -9.314 5.778 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.422 -8.895 6.513 1.00 0.00 C ATOM 1240 C PRO A 88 -4.516 -7.992 5.683 1.00 0.00 C ATOM 1241 O PRO A 88 -4.468 -8.103 4.458 1.00 0.00 O ATOM 1242 CB PRO A 88 -4.718 -10.218 6.827 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.180 -11.154 5.764 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.591 -10.746 5.440 1.00 0.00 C ATOM 0 HA PRO A 88 -5.672 -8.308 7.397 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.634 -10.104 6.810 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.985 -10.583 7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.542 -11.089 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.142 -12.187 6.110 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.827 -10.915 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.317 -11.311 6.025 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.798 -7.100 6.357 1.00 0.00 N ATOM 1253 CA PHE A 89 -2.894 -6.178 5.681 1.00 0.00 C ATOM 1254 C PHE A 89 -1.662 -6.911 5.155 1.00 0.00 C ATOM 1255 O PHE A 89 -0.959 -7.582 5.908 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.467 -5.058 6.632 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.408 -3.887 6.639 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.490 -3.040 5.546 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.212 -3.634 7.740 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.354 -1.961 5.551 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.079 -2.558 7.750 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.150 -1.721 6.654 1.00 0.00 C ATOM 0 H PHE A 89 -3.825 -6.996 7.371 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.426 -5.743 4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.391 -5.459 7.643 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.472 -4.713 6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.872 -3.225 4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.160 -4.286 8.600 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.407 -1.306 4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.700 -2.372 8.614 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.827 -0.880 6.659 1.00 0.00 H new ATOM 1272 N SER A 90 -1.410 -6.777 3.857 1.00 0.00 N ATOM 1273 CA SER A 90 -0.267 -7.429 3.229 1.00 0.00 C ATOM 1274 C SER A 90 1.004 -7.195 4.040 1.00 0.00 C ATOM 1275 O SER A 90 1.038 -6.347 4.929 1.00 0.00 O ATOM 1276 CB SER A 90 -0.078 -6.910 1.802 1.00 0.00 C ATOM 1277 OG SER A 90 0.241 -5.530 1.799 1.00 0.00 O ATOM 0 H SER A 90 -1.982 -6.223 3.220 1.00 0.00 H new ATOM 0 HA SER A 90 -0.464 -8.501 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.717 -7.471 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.989 -7.077 1.227 1.00 0.00 H new ATOM 0 HG SER A 90 1.214 -5.419 1.843 1.00 0.00 H new ATOM 1283 N GLU A 91 2.048 -7.956 3.723 1.00 0.00 N ATOM 1284 CA GLU A 91 3.322 -7.833 4.422 1.00 0.00 C ATOM 1285 C GLU A 91 3.878 -6.417 4.294 1.00 0.00 C ATOM 1286 O GLU A 91 4.239 -5.977 3.203 1.00 0.00 O ATOM 1287 CB GLU A 91 4.331 -8.841 3.870 1.00 0.00 C ATOM 1288 CG GLU A 91 3.854 -10.282 3.941 1.00 0.00 C ATOM 1289 CD GLU A 91 4.984 -11.280 3.779 1.00 0.00 C ATOM 1290 OE1 GLU A 91 6.142 -10.918 4.071 1.00 0.00 O ATOM 1291 OE2 GLU A 91 4.709 -12.423 3.359 1.00 0.00 O ATOM 0 H GLU A 91 2.036 -8.663 2.988 1.00 0.00 H new ATOM 0 HA GLU A 91 3.150 -8.043 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.551 -8.591 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.265 -8.749 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.360 -10.450 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.109 -10.453 3.164 1.00 0.00 H new ATOM 1298 N VAL A 92 3.943 -5.710 5.418 1.00 0.00 N ATOM 1299 CA VAL A 92 4.455 -4.345 5.433 1.00 0.00 C ATOM 1300 C VAL A 92 5.698 -4.214 4.559 1.00 0.00 C ATOM 1301 O VAL A 92 6.656 -4.972 4.707 1.00 0.00 O ATOM 1302 CB VAL A 92 4.799 -3.891 6.865 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.336 -2.467 6.859 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.580 -4.006 7.767 1.00 0.00 C ATOM 0 H VAL A 92 3.648 -6.060 6.329 1.00 0.00 H new ATOM 0 HA VAL A 92 3.666 -3.707 5.036 1.00 0.00 H new ATOM 0 HB VAL A 92 5.577 -4.545 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.573 -2.163 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.237 -2.420 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.583 -1.796 6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.841 -3.681 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.779 -3.376 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.245 -5.043 7.795 1.00 0.00 H new ATOM 1314 N VAL A 93 5.674 -3.247 3.647 1.00 0.00 N ATOM 1315 CA VAL A 93 6.797 -3.015 2.749 1.00 0.00 C ATOM 1316 C VAL A 93 7.570 -1.763 3.148 1.00 0.00 C ATOM 1317 O VAL A 93 7.133 -0.643 2.888 1.00 0.00 O ATOM 1318 CB VAL A 93 6.329 -2.873 1.289 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.514 -2.619 0.370 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.562 -4.112 0.853 1.00 0.00 C ATOM 0 H VAL A 93 4.888 -2.612 3.511 1.00 0.00 H new ATOM 0 HA VAL A 93 7.451 -3.883 2.830 1.00 0.00 H new ATOM 0 HB VAL A 93 5.659 -2.016 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.163 -2.521 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.017 -1.700 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.212 -3.453 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.239 -3.995 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.207 -4.987 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.690 -4.244 1.493 1.00 0.00 H new ATOM 1330 N ALA A 94 8.722 -1.961 3.780 1.00 0.00 N ATOM 1331 CA ALA A 94 9.558 -0.848 4.213 1.00 0.00 C ATOM 1332 C ALA A 94 10.381 -0.296 3.054 1.00 0.00 C ATOM 1333 O ALA A 94 10.736 -1.028 2.129 1.00 0.00 O ATOM 1334 CB ALA A 94 10.470 -1.283 5.351 1.00 0.00 C ATOM 0 H ALA A 94 9.098 -2.882 4.004 1.00 0.00 H new ATOM 0 HA ALA A 94 8.904 -0.053 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.088 -0.442 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.866 -1.622 6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.110 -2.098 5.013 1.00 0.00 H new ATOM 1340 N CYS A 95 10.681 0.996 3.110 1.00 0.00 N ATOM 1341 CA CYS A 95 11.461 1.646 2.063 1.00 0.00 C ATOM 1342 C CYS A 95 12.048 2.963 2.561 1.00 0.00 C ATOM 1343 O CYS A 95 11.376 3.734 3.246 1.00 0.00 O ATOM 1344 CB CYS A 95 10.592 1.895 0.830 1.00 0.00 C ATOM 1345 SG CYS A 95 9.390 3.231 1.031 1.00 0.00 S ATOM 0 H CYS A 95 10.396 1.615 3.869 1.00 0.00 H new ATOM 0 HA CYS A 95 12.282 0.983 1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.239 2.127 -0.016 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.060 0.976 0.582 1.00 0.00 H new ATOM 0 HG CYS A 95 9.840 4.094 1.893 1.00 0.00 H new ATOM 1351 N VAL A 96 13.306 3.214 2.213 1.00 0.00 N ATOM 1352 CA VAL A 96 13.984 4.437 2.624 1.00 0.00 C ATOM 1353 C VAL A 96 14.327 5.307 1.420 1.00 0.00 C ATOM 1354 O VAL A 96 15.139 4.926 0.575 1.00 0.00 O ATOM 1355 CB VAL A 96 15.275 4.128 3.404 1.00 0.00 C ATOM 1356 CG1 VAL A 96 16.024 5.412 3.728 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.956 3.353 4.675 1.00 0.00 C ATOM 0 H VAL A 96 13.876 2.586 1.647 1.00 0.00 H new ATOM 0 HA VAL A 96 13.296 4.977 3.274 1.00 0.00 H new ATOM 0 HB VAL A 96 15.918 3.509 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.933 5.173 4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.285 5.925 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.391 6.059 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.880 3.143 5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.294 3.946 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.466 2.415 4.416 1.00 0.00 H new ATOM 1367 N THR A 97 13.705 6.479 1.346 1.00 0.00 N ATOM 1368 CA THR A 97 13.943 7.403 0.245 1.00 0.00 C ATOM 1369 C THR A 97 15.397 7.862 0.217 1.00 0.00 C ATOM 1370 O THR A 97 16.065 7.952 1.248 1.00 0.00 O ATOM 1371 CB THR A 97 13.030 8.639 0.341 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.299 9.355 1.552 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.564 8.233 0.301 1.00 0.00 C ATOM 0 H THR A 97 13.032 6.811 2.037 1.00 0.00 H new ATOM 0 HA THR A 97 13.716 6.863 -0.674 1.00 0.00 H new ATOM 0 HB THR A 97 13.236 9.283 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.593 10.017 1.704 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.938 9.123 0.370 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.355 7.715 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.347 7.571 1.139 1.00 0.00 H new ATOM 1381 N PRO A 98 15.901 8.159 -0.990 1.00 0.00 N ATOM 1382 CA PRO A 98 17.282 8.614 -1.180 1.00 0.00 C ATOM 1383 C PRO A 98 17.511 10.018 -0.630 1.00 0.00 C ATOM 1384 O PRO A 98 16.614 10.862 -0.622 1.00 0.00 O ATOM 1385 CB PRO A 98 17.452 8.602 -2.701 1.00 0.00 C ATOM 1386 CG PRO A 98 16.073 8.766 -3.239 1.00 0.00 C ATOM 1387 CD PRO A 98 15.162 8.075 -2.261 1.00 0.00 C ATOM 0 HA PRO A 98 17.996 7.982 -0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.105 9.410 -3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.901 7.669 -3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.814 9.821 -3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 98 15.986 8.325 -4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.193 8.569 -2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.973 7.041 -2.549 1.00 0.00 H new ATOM 1395 N PRO A 99 18.740 10.277 -0.159 1.00 0.00 N ATOM 1396 CA PRO A 99 19.115 11.579 0.401 1.00 0.00 C ATOM 1397 C PRO A 99 19.186 12.669 -0.664 1.00 0.00 C ATOM 1398 O PRO A 99 19.770 12.472 -1.729 1.00 0.00 O ATOM 1399 CB PRO A 99 20.501 11.321 0.996 1.00 0.00 C ATOM 1400 CG PRO A 99 21.042 10.174 0.216 1.00 0.00 C ATOM 1401 CD PRO A 99 19.858 9.319 -0.138 1.00 0.00 C ATOM 0 HA PRO A 99 18.384 11.938 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.141 12.199 0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.438 11.083 2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.556 10.520 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.768 9.611 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.988 8.832 -1.105 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.698 8.530 0.597 1.00 0.00 H new ATOM 1409 N SER A 100 18.589 13.818 -0.368 1.00 0.00 N ATOM 1410 CA SER A 100 18.582 14.939 -1.300 1.00 0.00 C ATOM 1411 C SER A 100 19.564 16.019 -0.859 1.00 0.00 C ATOM 1412 O SER A 100 20.469 16.394 -1.605 1.00 0.00 O ATOM 1413 CB SER A 100 17.174 15.528 -1.413 1.00 0.00 C ATOM 1414 OG SER A 100 17.140 16.592 -2.348 1.00 0.00 O ATOM 0 H SER A 100 18.103 13.998 0.511 1.00 0.00 H new ATOM 0 HA SER A 100 18.892 14.568 -2.277 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.474 14.750 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.847 15.887 -0.437 1.00 0.00 H new ATOM 0 HG SER A 100 16.229 16.950 -2.403 1.00 0.00 H new ATOM 1420 N SER A 101 19.378 16.517 0.359 1.00 0.00 N ATOM 1421 CA SER A 101 20.245 17.558 0.901 1.00 0.00 C ATOM 1422 C SER A 101 21.694 17.330 0.482 1.00 0.00 C ATOM 1423 O SER A 101 22.389 16.485 1.045 1.00 0.00 O ATOM 1424 CB SER A 101 20.142 17.593 2.427 1.00 0.00 C ATOM 1425 OG SER A 101 19.111 18.471 2.848 1.00 0.00 O ATOM 0 H SER A 101 18.635 16.217 0.990 1.00 0.00 H new ATOM 0 HA SER A 101 19.916 18.517 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 101 19.946 16.589 2.805 1.00 0.00 H new ATOM 0 HB3 SER A 101 21.093 17.914 2.852 1.00 0.00 H new ATOM 0 HG SER A 101 19.064 18.475 3.827 1.00 0.00 H new ATOM 1431 N GLY A 102 22.143 18.091 -0.511 1.00 0.00 N ATOM 1432 CA GLY A 102 23.507 17.957 -0.990 1.00 0.00 C ATOM 1433 C GLY A 102 23.648 16.878 -2.045 1.00 0.00 C ATOM 1434 O GLY A 102 22.813 15.981 -2.161 1.00 0.00 O ATOM 0 H GLY A 102 21.587 18.798 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 102 23.839 18.910 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 102 24.163 17.727 -0.150 1.00 0.00 H new ATOM 1438 N PRO A 103 24.727 16.958 -2.837 1.00 0.00 N ATOM 1439 CA PRO A 103 24.999 15.989 -3.903 1.00 0.00 C ATOM 1440 C PRO A 103 25.383 14.618 -3.355 1.00 0.00 C ATOM 1441 O PRO A 103 26.142 14.513 -2.393 1.00 0.00 O ATOM 1442 CB PRO A 103 26.178 16.611 -4.656 1.00 0.00 C ATOM 1443 CG PRO A 103 26.853 17.479 -3.651 1.00 0.00 C ATOM 1444 CD PRO A 103 25.764 18.000 -2.755 1.00 0.00 C ATOM 0 HA PRO A 103 24.122 15.812 -4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 103 26.854 15.845 -5.035 1.00 0.00 H new ATOM 0 HB3 PRO A 103 25.838 17.190 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 103 27.591 16.915 -3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 103 27.384 18.298 -4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.116 18.137 -1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 103 25.391 18.966 -3.096 1.00 0.00 H new ATOM 1452 N SER A 104 24.851 13.569 -3.976 1.00 0.00 N ATOM 1453 CA SER A 104 25.135 12.204 -3.548 1.00 0.00 C ATOM 1454 C SER A 104 26.094 11.518 -4.516 1.00 0.00 C ATOM 1455 O SER A 104 27.166 11.057 -4.124 1.00 0.00 O ATOM 1456 CB SER A 104 23.839 11.400 -3.443 1.00 0.00 C ATOM 1457 OG SER A 104 24.104 10.040 -3.148 1.00 0.00 O ATOM 0 H SER A 104 24.222 13.638 -4.776 1.00 0.00 H new ATOM 0 HA SER A 104 25.608 12.249 -2.567 1.00 0.00 H new ATOM 0 HB2 SER A 104 23.205 11.827 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 104 23.287 11.471 -4.380 1.00 0.00 H new ATOM 0 HG SER A 104 23.259 9.548 -3.085 1.00 0.00 H new ATOM 1463 N SER A 105 25.702 11.458 -5.784 1.00 0.00 N ATOM 1464 CA SER A 105 26.523 10.826 -6.810 1.00 0.00 C ATOM 1465 C SER A 105 27.961 11.334 -6.743 1.00 0.00 C ATOM 1466 O SER A 105 28.202 12.530 -6.589 1.00 0.00 O ATOM 1467 CB SER A 105 25.941 11.096 -8.198 1.00 0.00 C ATOM 1468 OG SER A 105 25.893 12.485 -8.471 1.00 0.00 O ATOM 0 H SER A 105 24.820 11.840 -6.126 1.00 0.00 H new ATOM 0 HA SER A 105 26.525 9.751 -6.627 1.00 0.00 H new ATOM 0 HB2 SER A 105 26.547 10.595 -8.953 1.00 0.00 H new ATOM 0 HB3 SER A 105 24.938 10.675 -8.263 1.00 0.00 H new ATOM 0 HG SER A 105 25.519 12.630 -9.365 1.00 0.00 H new ATOM 1474 N GLY A 106 28.914 10.413 -6.858 1.00 0.00 N ATOM 1475 CA GLY A 106 30.315 10.785 -6.808 1.00 0.00 C ATOM 1476 C GLY A 106 31.167 9.744 -6.110 1.00 0.00 C ATOM 1477 O GLY A 106 30.706 8.636 -5.839 1.00 0.00 O ATOM 0 H GLY A 106 28.740 9.416 -6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 106 30.685 10.932 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.416 11.739 -6.291 1.00 0.00 H new TER 1481 GLY A 106