USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 647 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 1 MET N :NH3+ -165:sc= 2.03 (180deg=1.45) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.259 K(o=2.3,f=-5.5!) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0192) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 78:sc= 0.0769 USER MOD Single : A 11 CYS SG : rot -103:sc= 0.0689 USER MOD Single : A 15 SER OG : rot 40:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 19 ASN : amide:sc= 0.915 K(o=0.91,f=0) USER MOD Single : A 20 THR OG1 : rot -57:sc= 1.28 USER MOD Single : A 30 SER OG : rot 65:sc= 1.3 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0268 K(o=-0.027,f=-1) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -160:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -95:sc= 1.24 USER MOD Single : A 59 ASN : amide:sc=-0.000233 X(o=-0.00023,f=-0.024) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 144:sc= -0.35 (180deg=-1.1) USER MOD Single : A 71 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 86 GLN : amide:sc= 1.77 K(o=1.8,f=0) USER MOD Single : A 87 SER OG : rot -132:sc= 1.21 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.190 -5.147 -9.101 1.00 0.00 N ATOM 2 CA MET A 1 10.358 -6.439 -9.801 1.00 0.00 C ATOM 3 C MET A 1 11.580 -6.330 -10.709 1.00 0.00 C ATOM 4 O MET A 1 12.672 -6.225 -10.156 1.00 0.00 O ATOM 5 CB MET A 1 9.068 -6.904 -10.496 1.00 0.00 C ATOM 6 CG MET A 1 7.929 -7.221 -9.524 1.00 0.00 C ATOM 7 SD MET A 1 6.306 -7.451 -10.295 1.00 0.00 S ATOM 8 CE MET A 1 6.616 -8.876 -11.373 1.00 0.00 C ATOM 0 H1 MET A 1 9.536 -5.268 -8.301 1.00 0.00 H new ATOM 0 H2 MET A 1 11.112 -4.821 -8.748 1.00 0.00 H new ATOM 0 H3 MET A 1 9.803 -4.442 -9.761 1.00 0.00 H new ATOM 0 HA MET A 1 10.548 -7.240 -9.086 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.739 -6.129 -11.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.285 -7.792 -11.090 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.184 -8.126 -8.972 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.857 -6.413 -8.796 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.686 -9.175 -11.857 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.350 -8.605 -12.132 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.998 -9.706 -10.778 1.00 0.00 H new ATOM 20 N ALA A 2 11.451 -6.303 -12.042 1.00 0.00 N ATOM 21 CA ALA A 2 12.529 -5.918 -12.962 1.00 0.00 C ATOM 22 C ALA A 2 11.999 -5.010 -14.096 1.00 0.00 C ATOM 23 O ALA A 2 11.573 -5.469 -15.160 1.00 0.00 O ATOM 24 CB ALA A 2 13.213 -7.189 -13.472 1.00 0.00 C ATOM 0 H ALA A 2 10.584 -6.551 -12.518 1.00 0.00 H new ATOM 0 HA ALA A 2 13.276 -5.319 -12.440 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.017 -6.920 -14.157 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.625 -7.744 -12.629 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.485 -7.810 -13.993 1.00 0.00 H new ATOM 30 N GLU A 3 12.044 -3.696 -13.873 1.00 0.00 N ATOM 31 CA GLU A 3 11.282 -2.689 -14.611 1.00 0.00 C ATOM 32 C GLU A 3 12.018 -2.171 -15.853 1.00 0.00 C ATOM 33 O GLU A 3 12.860 -1.265 -15.805 1.00 0.00 O ATOM 34 CB GLU A 3 10.875 -1.536 -13.673 1.00 0.00 C ATOM 35 CG GLU A 3 9.634 -1.829 -12.818 1.00 0.00 C ATOM 36 CD GLU A 3 9.742 -3.117 -11.997 1.00 0.00 C ATOM 37 OE1 GLU A 3 10.392 -3.131 -10.928 1.00 0.00 O ATOM 38 OE2 GLU A 3 9.165 -4.137 -12.434 1.00 0.00 O ATOM 0 H GLU A 3 12.634 -3.289 -13.147 1.00 0.00 H new ATOM 0 HA GLU A 3 10.380 -3.176 -14.983 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.712 -1.307 -13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.688 -0.644 -14.271 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.463 -0.991 -12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.763 -1.896 -13.469 1.00 0.00 H new ATOM 45 N SER A 4 11.612 -2.718 -16.993 1.00 0.00 N ATOM 46 CA SER A 4 11.614 -1.994 -18.276 1.00 0.00 C ATOM 47 C SER A 4 10.622 -0.813 -18.256 1.00 0.00 C ATOM 48 O SER A 4 9.808 -0.693 -17.338 1.00 0.00 O ATOM 49 CB SER A 4 11.279 -2.949 -19.433 1.00 0.00 C ATOM 50 OG SER A 4 9.899 -3.271 -19.456 1.00 0.00 O ATOM 0 H SER A 4 11.270 -3.677 -17.063 1.00 0.00 H new ATOM 0 HA SER A 4 12.615 -1.591 -18.428 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.562 -2.489 -20.380 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.865 -3.862 -19.334 1.00 0.00 H new ATOM 0 HG SER A 4 9.717 -3.878 -20.203 1.00 0.00 H new ATOM 56 N ASP A 5 10.629 0.044 -19.285 1.00 0.00 N ATOM 57 CA ASP A 5 9.625 1.121 -19.429 1.00 0.00 C ATOM 58 C ASP A 5 8.175 0.601 -19.557 1.00 0.00 C ATOM 59 O ASP A 5 7.228 1.318 -19.236 1.00 0.00 O ATOM 60 CB ASP A 5 9.988 2.002 -20.636 1.00 0.00 C ATOM 61 CG ASP A 5 9.028 3.187 -20.797 1.00 0.00 C ATOM 62 OD1 ASP A 5 8.955 4.031 -19.871 1.00 0.00 O ATOM 63 OD2 ASP A 5 8.360 3.291 -21.855 1.00 0.00 O ATOM 0 H ASP A 5 11.319 0.017 -20.036 1.00 0.00 H new ATOM 0 HA ASP A 5 9.653 1.707 -18.510 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.006 2.374 -20.519 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.972 1.398 -21.543 1.00 0.00 H new ATOM 68 N GLY A 6 7.989 -0.657 -19.970 1.00 0.00 N ATOM 69 CA GLY A 6 6.686 -1.328 -20.020 1.00 0.00 C ATOM 70 C GLY A 6 6.098 -1.682 -18.644 1.00 0.00 C ATOM 71 O GLY A 6 4.927 -2.062 -18.569 1.00 0.00 O ATOM 0 H GLY A 6 8.757 -1.250 -20.286 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.981 -0.686 -20.548 1.00 0.00 H new ATOM 0 HA3 GLY A 6 6.785 -2.242 -20.605 1.00 0.00 H new ATOM 75 N ALA A 7 6.886 -1.590 -17.568 1.00 0.00 N ATOM 76 CA ALA A 7 6.504 -1.960 -16.205 1.00 0.00 C ATOM 77 C ALA A 7 6.692 -0.802 -15.207 1.00 0.00 C ATOM 78 O ALA A 7 7.325 0.216 -15.500 1.00 0.00 O ATOM 79 CB ALA A 7 7.300 -3.209 -15.812 1.00 0.00 C ATOM 0 H ALA A 7 7.843 -1.242 -17.627 1.00 0.00 H new ATOM 0 HA ALA A 7 5.438 -2.184 -16.173 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.033 -3.506 -14.798 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.067 -4.021 -16.501 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.367 -2.990 -15.857 1.00 0.00 H new ATOM 85 N GLU A 8 6.114 -0.945 -14.013 1.00 0.00 N ATOM 86 CA GLU A 8 6.126 0.065 -12.949 1.00 0.00 C ATOM 87 C GLU A 8 6.323 -0.555 -11.555 1.00 0.00 C ATOM 88 O GLU A 8 5.647 -1.524 -11.200 1.00 0.00 O ATOM 89 CB GLU A 8 4.860 0.942 -13.042 1.00 0.00 C ATOM 90 CG GLU A 8 3.522 0.172 -13.047 1.00 0.00 C ATOM 91 CD GLU A 8 2.339 1.030 -13.516 1.00 0.00 C ATOM 92 OE1 GLU A 8 2.456 1.746 -14.541 1.00 0.00 O ATOM 93 OE2 GLU A 8 1.239 0.936 -12.927 1.00 0.00 O ATOM 0 H GLU A 8 5.609 -1.791 -13.750 1.00 0.00 H new ATOM 0 HA GLU A 8 6.991 0.711 -13.098 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.857 1.637 -12.202 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.919 1.541 -13.951 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.612 -0.699 -13.697 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.319 -0.199 -12.043 1.00 0.00 H new ATOM 100 N TYR A 9 7.232 -0.001 -10.742 1.00 0.00 N ATOM 101 CA TYR A 9 7.437 -0.455 -9.362 1.00 0.00 C ATOM 102 C TYR A 9 6.425 0.172 -8.391 1.00 0.00 C ATOM 103 O TYR A 9 6.677 1.196 -7.745 1.00 0.00 O ATOM 104 CB TYR A 9 8.904 -0.374 -8.895 1.00 0.00 C ATOM 105 CG TYR A 9 9.792 0.754 -9.397 1.00 0.00 C ATOM 106 CD1 TYR A 9 9.572 2.096 -9.027 1.00 0.00 C ATOM 107 CD2 TYR A 9 10.920 0.431 -10.175 1.00 0.00 C ATOM 108 CE1 TYR A 9 10.481 3.097 -9.422 1.00 0.00 C ATOM 109 CE2 TYR A 9 11.841 1.424 -10.555 1.00 0.00 C ATOM 110 CZ TYR A 9 11.633 2.761 -10.162 1.00 0.00 C ATOM 111 OH TYR A 9 12.541 3.717 -10.474 1.00 0.00 O ATOM 0 H TYR A 9 7.841 0.768 -11.020 1.00 0.00 H new ATOM 0 HA TYR A 9 7.224 -1.524 -9.354 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.897 -0.323 -7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.385 -1.313 -9.167 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.704 2.358 -8.439 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.080 -0.591 -10.484 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.294 4.127 -9.157 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.706 1.162 -11.147 1.00 0.00 H new ATOM 0 HH TYR A 9 13.097 3.909 -9.690 1.00 0.00 H new ATOM 121 N ARG A 10 5.251 -0.458 -8.295 1.00 0.00 N ATOM 122 CA ARG A 10 4.258 -0.247 -7.231 1.00 0.00 C ATOM 123 C ARG A 10 3.552 -1.553 -6.861 1.00 0.00 C ATOM 124 O ARG A 10 3.429 -2.456 -7.695 1.00 0.00 O ATOM 125 CB ARG A 10 3.262 0.863 -7.618 1.00 0.00 C ATOM 126 CG ARG A 10 2.394 0.510 -8.829 1.00 0.00 C ATOM 127 CD ARG A 10 1.334 1.588 -9.066 1.00 0.00 C ATOM 128 NE ARG A 10 0.564 1.276 -10.277 1.00 0.00 N ATOM 129 CZ ARG A 10 -0.741 1.228 -10.436 1.00 0.00 C ATOM 130 NH1 ARG A 10 -1.595 1.697 -9.578 1.00 0.00 N ATOM 131 NH2 ARG A 10 -1.202 0.698 -11.520 1.00 0.00 N ATOM 0 H ARG A 10 4.953 -1.154 -8.978 1.00 0.00 H new ATOM 0 HA ARG A 10 4.785 0.090 -6.338 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.615 1.073 -6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.815 1.778 -7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.021 0.408 -9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.911 -0.454 -8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.667 1.649 -8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.811 2.563 -9.169 1.00 0.00 H new ATOM 0 HE ARG A 10 1.117 1.068 -11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.265 2.136 -8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.595 1.627 -9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.559 0.332 -12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.209 0.645 -11.674 1.00 0.00 H new ATOM 145 N CYS A 11 3.052 -1.645 -5.632 1.00 0.00 N ATOM 146 CA CYS A 11 2.267 -2.790 -5.168 1.00 0.00 C ATOM 147 C CYS A 11 0.910 -2.371 -4.587 1.00 0.00 C ATOM 148 O CYS A 11 0.737 -1.256 -4.093 1.00 0.00 O ATOM 149 CB CYS A 11 3.113 -3.662 -4.225 1.00 0.00 C ATOM 150 SG CYS A 11 3.469 -2.827 -2.654 1.00 0.00 S ATOM 0 H CYS A 11 3.180 -0.923 -4.923 1.00 0.00 H new ATOM 0 HA CYS A 11 2.010 -3.411 -6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.587 -4.596 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.050 -3.922 -4.717 1.00 0.00 H new ATOM 0 HG CYS A 11 4.691 -2.382 -2.666 1.00 0.00 H new ATOM 156 N PHE A 12 -0.050 -3.288 -4.673 1.00 0.00 N ATOM 157 CA PHE A 12 -1.358 -3.235 -4.038 1.00 0.00 C ATOM 158 C PHE A 12 -1.254 -3.685 -2.572 1.00 0.00 C ATOM 159 O PHE A 12 -0.447 -4.554 -2.226 1.00 0.00 O ATOM 160 CB PHE A 12 -2.307 -4.121 -4.857 1.00 0.00 C ATOM 161 CG PHE A 12 -3.771 -4.096 -4.458 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.546 -2.939 -4.671 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.384 -5.259 -3.956 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.931 -2.958 -4.425 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.767 -5.278 -3.706 1.00 0.00 C ATOM 166 CZ PHE A 12 -6.543 -4.133 -3.955 1.00 0.00 C ATOM 0 H PHE A 12 0.075 -4.138 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.749 -2.218 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.234 -3.824 -5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.953 -5.150 -4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.075 -2.034 -5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.790 -6.140 -3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.523 -2.071 -4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.234 -6.173 -3.322 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.609 -4.156 -3.785 1.00 0.00 H new ATOM 176 N VAL A 13 -2.063 -3.063 -1.719 1.00 0.00 N ATOM 177 CA VAL A 13 -2.136 -3.282 -0.268 1.00 0.00 C ATOM 178 C VAL A 13 -3.589 -3.207 0.194 1.00 0.00 C ATOM 179 O VAL A 13 -4.349 -2.383 -0.311 1.00 0.00 O ATOM 180 CB VAL A 13 -1.305 -2.245 0.526 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.168 -2.640 0.622 1.00 0.00 C ATOM 182 CG2 VAL A 13 -1.379 -0.819 -0.037 1.00 0.00 C ATOM 0 H VAL A 13 -2.724 -2.353 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.720 -4.270 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.764 -2.246 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.712 -1.883 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.255 -3.602 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.590 -2.717 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.770 -0.154 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.006 -0.812 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.414 -0.477 -0.026 1.00 0.00 H new ATOM 192 N GLY A 14 -3.972 -3.999 1.196 1.00 0.00 N ATOM 193 CA GLY A 14 -5.252 -3.821 1.889 1.00 0.00 C ATOM 194 C GLY A 14 -5.199 -4.193 3.372 1.00 0.00 C ATOM 195 O GLY A 14 -4.493 -5.123 3.778 1.00 0.00 O ATOM 0 H GLY A 14 -3.412 -4.775 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.566 -2.782 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.011 -4.429 1.397 1.00 0.00 H new ATOM 199 N SER A 15 -5.896 -3.374 4.165 1.00 0.00 N ATOM 200 CA SER A 15 -6.064 -3.441 5.632 1.00 0.00 C ATOM 201 C SER A 15 -6.885 -2.272 6.194 1.00 0.00 C ATOM 202 O SER A 15 -7.294 -2.311 7.353 1.00 0.00 O ATOM 203 CB SER A 15 -4.710 -3.396 6.367 1.00 0.00 C ATOM 204 OG SER A 15 -4.432 -4.680 6.897 1.00 0.00 O ATOM 0 H SER A 15 -6.401 -2.580 3.772 1.00 0.00 H new ATOM 0 HA SER A 15 -6.581 -4.386 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.919 -3.092 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.740 -2.656 7.167 1.00 0.00 H new ATOM 0 HG SER A 15 -4.701 -5.366 6.251 1.00 0.00 H new ATOM 210 N LEU A 16 -7.064 -1.197 5.417 1.00 0.00 N ATOM 211 CA LEU A 16 -7.404 0.129 5.928 1.00 0.00 C ATOM 212 C LEU A 16 -8.870 0.250 6.375 1.00 0.00 C ATOM 213 O LEU A 16 -9.740 -0.555 6.023 1.00 0.00 O ATOM 214 CB LEU A 16 -7.063 1.236 4.902 1.00 0.00 C ATOM 215 CG LEU A 16 -5.849 1.057 3.975 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.746 2.288 3.084 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.523 0.861 4.697 1.00 0.00 C ATOM 0 H LEU A 16 -6.975 -1.228 4.401 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.788 0.269 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.940 1.377 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.917 2.163 5.457 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.021 0.141 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.891 2.184 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.657 2.387 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.617 3.176 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.724 0.743 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.317 1.730 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.577 -0.031 5.322 1.00 0.00 H new ATOM 229 N SER A 17 -9.118 1.338 7.088 1.00 0.00 N ATOM 230 CA SER A 17 -10.402 1.830 7.600 1.00 0.00 C ATOM 231 C SER A 17 -10.378 3.360 7.543 1.00 0.00 C ATOM 232 O SER A 17 -9.360 3.929 7.150 1.00 0.00 O ATOM 233 CB SER A 17 -10.622 1.327 9.032 1.00 0.00 C ATOM 234 OG SER A 17 -9.822 2.032 9.963 1.00 0.00 O ATOM 0 H SER A 17 -8.357 1.963 7.352 1.00 0.00 H new ATOM 0 HA SER A 17 -11.229 1.458 6.994 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.673 1.437 9.299 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.389 0.263 9.084 1.00 0.00 H new ATOM 0 HG SER A 17 -9.989 1.687 10.865 1.00 0.00 H new ATOM 240 N TRP A 18 -11.447 4.052 7.948 1.00 0.00 N ATOM 241 CA TRP A 18 -11.450 5.525 8.022 1.00 0.00 C ATOM 242 C TRP A 18 -10.289 6.133 8.845 1.00 0.00 C ATOM 243 O TRP A 18 -10.038 7.338 8.750 1.00 0.00 O ATOM 244 CB TRP A 18 -12.782 6.012 8.609 1.00 0.00 C ATOM 245 CG TRP A 18 -12.958 5.804 10.088 1.00 0.00 C ATOM 246 CD1 TRP A 18 -12.495 6.628 11.057 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.653 4.727 10.786 1.00 0.00 C ATOM 248 NE1 TRP A 18 -12.823 6.126 12.300 1.00 0.00 N ATOM 249 CE2 TRP A 18 -13.581 4.979 12.191 1.00 0.00 C ATOM 250 CE3 TRP A 18 -14.365 3.577 10.374 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -14.200 4.147 13.133 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -14.984 2.732 11.315 1.00 0.00 C ATOM 253 CH2 TRP A 18 -14.908 3.017 12.691 1.00 0.00 C ATOM 0 H TRP A 18 -12.326 3.619 8.231 1.00 0.00 H new ATOM 0 HA TRP A 18 -11.313 5.868 6.996 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -12.884 7.076 8.396 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.594 5.503 8.090 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.949 7.544 10.883 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.541 6.549 13.185 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -14.435 3.343 9.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.134 4.372 14.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -15.522 1.858 10.978 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -15.393 2.368 13.406 1.00 0.00 H new ATOM 264 N ASN A 19 -9.582 5.335 9.656 1.00 0.00 N ATOM 265 CA ASN A 19 -8.429 5.766 10.446 1.00 0.00 C ATOM 266 C ASN A 19 -7.096 5.721 9.664 1.00 0.00 C ATOM 267 O ASN A 19 -6.253 6.605 9.837 1.00 0.00 O ATOM 268 CB ASN A 19 -8.390 4.882 11.705 1.00 0.00 C ATOM 269 CG ASN A 19 -7.394 5.403 12.719 1.00 0.00 C ATOM 270 OD1 ASN A 19 -7.662 6.365 13.429 1.00 0.00 O ATOM 271 ND2 ASN A 19 -6.220 4.832 12.799 1.00 0.00 N ATOM 0 H ASN A 19 -9.804 4.348 9.782 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.545 6.817 10.712 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.382 4.844 12.155 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.127 3.862 11.426 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.524 5.187 13.454 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.001 4.031 12.206 1.00 0.00 H new ATOM 278 N THR A 20 -6.884 4.708 8.820 1.00 0.00 N ATOM 279 CA THR A 20 -5.664 4.527 8.008 1.00 0.00 C ATOM 280 C THR A 20 -5.791 5.118 6.602 1.00 0.00 C ATOM 281 O THR A 20 -6.826 4.963 5.958 1.00 0.00 O ATOM 282 CB THR A 20 -5.255 3.049 7.875 1.00 0.00 C ATOM 283 OG1 THR A 20 -5.926 2.181 8.766 1.00 0.00 O ATOM 284 CG2 THR A 20 -3.745 2.872 8.025 1.00 0.00 C ATOM 0 H THR A 20 -7.571 3.968 8.674 1.00 0.00 H new ATOM 0 HA THR A 20 -4.892 5.069 8.554 1.00 0.00 H new ATOM 0 HB THR A 20 -5.561 2.765 6.868 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.780 2.482 9.687 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.491 1.817 7.926 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.233 3.443 7.250 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.432 3.230 9.006 1.00 0.00 H new ATOM 292 N ASP A 21 -4.722 5.714 6.065 1.00 0.00 N ATOM 293 CA ASP A 21 -4.690 6.218 4.684 1.00 0.00 C ATOM 294 C ASP A 21 -3.294 6.138 4.024 1.00 0.00 C ATOM 295 O ASP A 21 -2.375 5.503 4.549 1.00 0.00 O ATOM 296 CB ASP A 21 -5.280 7.644 4.648 1.00 0.00 C ATOM 297 CG ASP A 21 -4.322 8.708 5.177 1.00 0.00 C ATOM 298 OD1 ASP A 21 -4.155 8.810 6.418 1.00 0.00 O ATOM 299 OD2 ASP A 21 -3.702 9.403 4.336 1.00 0.00 O ATOM 0 H ASP A 21 -3.851 5.862 6.575 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.310 5.560 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.555 7.890 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.197 7.665 5.237 1.00 0.00 H new ATOM 304 N ASP A 22 -3.109 6.785 2.864 1.00 0.00 N ATOM 305 CA ASP A 22 -1.812 6.854 2.172 1.00 0.00 C ATOM 306 C ASP A 22 -0.690 7.495 3.003 1.00 0.00 C ATOM 307 O ASP A 22 0.484 7.265 2.706 1.00 0.00 O ATOM 308 CB ASP A 22 -1.930 7.567 0.815 1.00 0.00 C ATOM 309 CG ASP A 22 -2.502 8.976 0.893 1.00 0.00 C ATOM 310 OD1 ASP A 22 -1.730 9.938 1.124 1.00 0.00 O ATOM 311 OD2 ASP A 22 -3.726 9.126 0.696 1.00 0.00 O ATOM 0 H ASP A 22 -3.858 7.277 2.377 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.528 5.814 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.943 7.614 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.560 6.968 0.157 1.00 0.00 H new ATOM 316 N ARG A 23 -1.012 8.278 4.041 1.00 0.00 N ATOM 317 CA ARG A 23 -0.050 8.754 5.056 1.00 0.00 C ATOM 318 C ARG A 23 0.658 7.573 5.722 1.00 0.00 C ATOM 319 O ARG A 23 1.888 7.501 5.684 1.00 0.00 O ATOM 320 CB ARG A 23 -0.786 9.641 6.083 1.00 0.00 C ATOM 321 CG ARG A 23 0.092 10.451 7.053 1.00 0.00 C ATOM 322 CD ARG A 23 0.828 9.627 8.126 1.00 0.00 C ATOM 323 NE ARG A 23 1.356 10.482 9.204 1.00 0.00 N ATOM 324 CZ ARG A 23 2.320 11.378 9.120 1.00 0.00 C ATOM 325 NH1 ARG A 23 3.040 11.568 8.051 1.00 0.00 N ATOM 326 NH2 ARG A 23 2.550 12.124 10.155 1.00 0.00 N ATOM 0 H ARG A 23 -1.963 8.607 4.206 1.00 0.00 H new ATOM 0 HA ARG A 23 0.721 9.357 4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.421 10.338 5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.445 9.004 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.832 11.002 6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.535 11.189 7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.147 8.888 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.648 9.077 7.664 1.00 0.00 H new ATOM 0 HE ARG A 23 0.926 10.367 10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.871 11.007 7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.772 12.278 8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.992 12.008 11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.289 12.827 10.123 1.00 0.00 H new ATOM 340 N GLY A 24 -0.109 6.644 6.296 1.00 0.00 N ATOM 341 CA GLY A 24 0.401 5.452 6.974 1.00 0.00 C ATOM 342 C GLY A 24 1.101 4.482 6.022 1.00 0.00 C ATOM 343 O GLY A 24 2.183 3.999 6.345 1.00 0.00 O ATOM 0 H GLY A 24 -1.127 6.702 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.099 5.754 7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.425 4.938 7.466 1.00 0.00 H new ATOM 347 N LEU A 25 0.547 4.251 4.823 1.00 0.00 N ATOM 348 CA LEU A 25 1.193 3.398 3.809 1.00 0.00 C ATOM 349 C LEU A 25 2.555 3.953 3.355 1.00 0.00 C ATOM 350 O LEU A 25 3.531 3.209 3.308 1.00 0.00 O ATOM 351 CB LEU A 25 0.270 3.193 2.594 1.00 0.00 C ATOM 352 CG LEU A 25 -1.025 2.411 2.880 1.00 0.00 C ATOM 353 CD1 LEU A 25 -1.889 2.413 1.617 1.00 0.00 C ATOM 354 CD2 LEU A 25 -0.707 0.970 3.293 1.00 0.00 C ATOM 0 H LEU A 25 -0.348 4.642 4.529 1.00 0.00 H new ATOM 0 HA LEU A 25 1.376 2.434 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.004 4.170 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.828 2.669 1.818 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.561 2.888 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.810 1.862 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.130 3.440 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.343 1.938 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.636 0.435 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.165 0.472 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.093 0.977 4.194 1.00 0.00 H new ATOM 366 N GLU A 26 2.652 5.255 3.079 1.00 0.00 N ATOM 367 CA GLU A 26 3.928 5.908 2.762 1.00 0.00 C ATOM 368 C GLU A 26 4.941 5.748 3.905 1.00 0.00 C ATOM 369 O GLU A 26 6.094 5.379 3.668 1.00 0.00 O ATOM 370 CB GLU A 26 3.661 7.392 2.479 1.00 0.00 C ATOM 371 CG GLU A 26 4.926 8.233 2.266 1.00 0.00 C ATOM 372 CD GLU A 26 4.547 9.699 2.114 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.167 10.332 3.133 1.00 0.00 O ATOM 374 OE2 GLU A 26 4.588 10.224 0.974 1.00 0.00 O ATOM 0 H GLU A 26 1.851 5.887 3.068 1.00 0.00 H new ATOM 0 HA GLU A 26 4.363 5.434 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.032 7.473 1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.096 7.812 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.604 8.108 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.457 7.891 1.378 1.00 0.00 H new ATOM 381 N ALA A 27 4.521 6.012 5.143 1.00 0.00 N ATOM 382 CA ALA A 27 5.405 5.998 6.302 1.00 0.00 C ATOM 383 C ALA A 27 5.904 4.577 6.628 1.00 0.00 C ATOM 384 O ALA A 27 7.107 4.369 6.790 1.00 0.00 O ATOM 385 CB ALA A 27 4.666 6.670 7.467 1.00 0.00 C ATOM 0 H ALA A 27 3.553 6.242 5.368 1.00 0.00 H new ATOM 0 HA ALA A 27 6.314 6.562 6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.305 6.674 8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.416 7.696 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.751 6.119 7.684 1.00 0.00 H new ATOM 391 N ALA A 28 5.017 3.576 6.640 1.00 0.00 N ATOM 392 CA ALA A 28 5.373 2.190 6.951 1.00 0.00 C ATOM 393 C ALA A 28 6.303 1.550 5.901 1.00 0.00 C ATOM 394 O ALA A 28 7.103 0.678 6.250 1.00 0.00 O ATOM 395 CB ALA A 28 4.076 1.389 7.127 1.00 0.00 C ATOM 0 H ALA A 28 4.027 3.707 6.433 1.00 0.00 H new ATOM 0 HA ALA A 28 5.949 2.179 7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.318 0.352 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.492 1.817 7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.496 1.428 6.205 1.00 0.00 H new ATOM 401 N PHE A 29 6.239 1.982 4.633 1.00 0.00 N ATOM 402 CA PHE A 29 7.119 1.495 3.559 1.00 0.00 C ATOM 403 C PHE A 29 8.415 2.318 3.402 1.00 0.00 C ATOM 404 O PHE A 29 9.424 1.770 2.949 1.00 0.00 O ATOM 405 CB PHE A 29 6.334 1.416 2.239 1.00 0.00 C ATOM 406 CG PHE A 29 5.408 0.214 2.096 1.00 0.00 C ATOM 407 CD1 PHE A 29 4.251 0.080 2.891 1.00 0.00 C ATOM 408 CD2 PHE A 29 5.703 -0.782 1.145 1.00 0.00 C ATOM 409 CE1 PHE A 29 3.405 -1.032 2.736 1.00 0.00 C ATOM 410 CE2 PHE A 29 4.857 -1.896 0.987 1.00 0.00 C ATOM 411 CZ PHE A 29 3.707 -2.021 1.783 1.00 0.00 C ATOM 0 H PHE A 29 5.569 2.685 4.321 1.00 0.00 H new ATOM 0 HA PHE A 29 7.449 0.496 3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.740 2.324 2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.046 1.404 1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.013 0.837 3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.587 -0.690 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.522 -1.127 3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.092 -2.654 0.254 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.056 -2.875 1.664 1.00 0.00 H new ATOM 421 N SER A 30 8.437 3.586 3.839 1.00 0.00 N ATOM 422 CA SER A 30 9.621 4.467 3.753 1.00 0.00 C ATOM 423 C SER A 30 10.881 3.868 4.405 1.00 0.00 C ATOM 424 O SER A 30 12.001 4.175 3.992 1.00 0.00 O ATOM 425 CB SER A 30 9.354 5.816 4.435 1.00 0.00 C ATOM 426 OG SER A 30 8.431 6.613 3.714 1.00 0.00 O ATOM 0 H SER A 30 7.628 4.037 4.267 1.00 0.00 H new ATOM 0 HA SER A 30 9.802 4.589 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.971 5.642 5.441 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.293 6.359 4.541 1.00 0.00 H new ATOM 0 HG SER A 30 7.556 6.171 3.703 1.00 0.00 H new ATOM 432 N SER A 31 10.717 2.979 5.391 1.00 0.00 N ATOM 433 CA SER A 31 11.823 2.279 6.065 1.00 0.00 C ATOM 434 C SER A 31 12.714 1.488 5.096 1.00 0.00 C ATOM 435 O SER A 31 13.934 1.461 5.274 1.00 0.00 O ATOM 436 CB SER A 31 11.270 1.307 7.115 1.00 0.00 C ATOM 437 OG SER A 31 10.410 1.973 8.025 1.00 0.00 O ATOM 0 H SER A 31 9.799 2.720 5.751 1.00 0.00 H new ATOM 0 HA SER A 31 12.434 3.053 6.530 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.727 0.502 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.095 0.847 7.659 1.00 0.00 H new ATOM 0 HG SER A 31 10.070 1.331 8.683 1.00 0.00 H new ATOM 443 N PHE A 32 12.125 0.891 4.053 1.00 0.00 N ATOM 444 CA PHE A 32 12.793 -0.020 3.111 1.00 0.00 C ATOM 445 C PHE A 32 13.430 0.714 1.917 1.00 0.00 C ATOM 446 O PHE A 32 14.399 0.227 1.328 1.00 0.00 O ATOM 447 CB PHE A 32 11.770 -1.067 2.629 1.00 0.00 C ATOM 448 CG PHE A 32 11.181 -1.925 3.739 1.00 0.00 C ATOM 449 CD1 PHE A 32 10.106 -1.446 4.516 1.00 0.00 C ATOM 450 CD2 PHE A 32 11.722 -3.195 4.017 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.604 -2.211 5.583 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.200 -3.970 5.068 1.00 0.00 C ATOM 453 CZ PHE A 32 10.147 -3.477 5.855 1.00 0.00 C ATOM 0 H PHE A 32 11.139 1.032 3.833 1.00 0.00 H new ATOM 0 HA PHE A 32 13.616 -0.507 3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.958 -0.554 2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.251 -1.718 1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.666 -0.486 4.290 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.539 -3.575 3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.801 -1.825 6.193 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.611 -4.948 5.271 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.755 -4.070 6.668 1.00 0.00 H new ATOM 463 N GLY A 33 12.905 1.886 1.561 1.00 0.00 N ATOM 464 CA GLY A 33 13.425 2.766 0.512 1.00 0.00 C ATOM 465 C GLY A 33 12.534 3.996 0.346 1.00 0.00 C ATOM 466 O GLY A 33 11.399 4.003 0.823 1.00 0.00 O ATOM 0 H GLY A 33 12.073 2.264 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.439 3.077 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.481 2.222 -0.431 1.00 0.00 H new ATOM 470 N GLU A 34 13.026 5.047 -0.310 1.00 0.00 N ATOM 471 CA GLU A 34 12.255 6.292 -0.414 1.00 0.00 C ATOM 472 C GLU A 34 11.013 6.117 -1.312 1.00 0.00 C ATOM 473 O GLU A 34 11.103 5.551 -2.408 1.00 0.00 O ATOM 474 CB GLU A 34 13.135 7.461 -0.873 1.00 0.00 C ATOM 475 CG GLU A 34 14.358 7.693 0.027 1.00 0.00 C ATOM 476 CD GLU A 34 14.949 9.092 -0.182 1.00 0.00 C ATOM 477 OE1 GLU A 34 15.408 9.406 -1.309 1.00 0.00 O ATOM 478 OE2 GLU A 34 14.962 9.889 0.785 1.00 0.00 O ATOM 0 H GLU A 34 13.936 5.066 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 34 11.893 6.537 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.473 7.273 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.534 8.370 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.072 7.570 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.117 6.940 -0.187 1.00 0.00 H new ATOM 485 N ILE A 35 9.857 6.597 -0.836 1.00 0.00 N ATOM 486 CA ILE A 35 8.548 6.459 -1.495 1.00 0.00 C ATOM 487 C ILE A 35 8.234 7.670 -2.371 1.00 0.00 C ATOM 488 O ILE A 35 8.363 8.820 -1.937 1.00 0.00 O ATOM 489 CB ILE A 35 7.438 6.185 -0.448 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.560 4.768 0.155 1.00 0.00 C ATOM 491 CG2 ILE A 35 6.014 6.391 -1.007 1.00 0.00 C ATOM 492 CD1 ILE A 35 7.530 3.641 -0.887 1.00 0.00 C ATOM 0 H ILE A 35 9.803 7.108 0.045 1.00 0.00 H new ATOM 0 HA ILE A 35 8.587 5.598 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 35 7.593 6.923 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.491 4.703 0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.747 4.615 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.283 6.184 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.901 7.421 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.851 5.714 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.621 2.678 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.588 3.677 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.360 3.767 -1.583 1.00 0.00 H new ATOM 504 N LEU A 36 7.779 7.396 -3.596 1.00 0.00 N ATOM 505 CA LEU A 36 7.425 8.407 -4.594 1.00 0.00 C ATOM 506 C LEU A 36 5.922 8.710 -4.624 1.00 0.00 C ATOM 507 O LEU A 36 5.559 9.814 -5.025 1.00 0.00 O ATOM 508 CB LEU A 36 7.922 7.956 -5.985 1.00 0.00 C ATOM 509 CG LEU A 36 9.372 8.357 -6.309 1.00 0.00 C ATOM 510 CD1 LEU A 36 10.379 7.733 -5.348 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.735 7.910 -7.726 1.00 0.00 C ATOM 0 H LEU A 36 7.643 6.441 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 36 7.918 9.337 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.835 6.872 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.264 8.377 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 36 9.422 9.442 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.386 8.048 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.161 8.058 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.311 6.647 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.763 8.198 -7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.637 6.827 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.064 8.386 -8.441 1.00 0.00 H new ATOM 523 N ASP A 37 5.059 7.763 -4.235 1.00 0.00 N ATOM 524 CA ASP A 37 3.595 7.927 -4.224 1.00 0.00 C ATOM 525 C ASP A 37 2.921 6.874 -3.321 1.00 0.00 C ATOM 526 O ASP A 37 3.456 5.779 -3.135 1.00 0.00 O ATOM 527 CB ASP A 37 3.021 7.793 -5.653 1.00 0.00 C ATOM 528 CG ASP A 37 3.157 9.055 -6.506 1.00 0.00 C ATOM 529 OD1 ASP A 37 2.529 10.083 -6.158 1.00 0.00 O ATOM 530 OD2 ASP A 37 3.838 9.031 -7.562 1.00 0.00 O ATOM 0 H ASP A 37 5.361 6.844 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 37 3.385 8.922 -3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.526 6.970 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.966 7.526 -5.585 1.00 0.00 H new ATOM 535 N ALA A 38 1.726 7.183 -2.805 1.00 0.00 N ATOM 536 CA ALA A 38 0.803 6.229 -2.199 1.00 0.00 C ATOM 537 C ALA A 38 -0.655 6.664 -2.465 1.00 0.00 C ATOM 538 O ALA A 38 -0.938 7.859 -2.632 1.00 0.00 O ATOM 539 CB ALA A 38 1.133 6.079 -0.707 1.00 0.00 C ATOM 0 H ALA A 38 1.367 8.138 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 38 0.916 5.244 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.445 5.367 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.155 5.718 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.034 7.046 -0.213 1.00 0.00 H new ATOM 545 N LYS A 39 -1.581 5.701 -2.540 1.00 0.00 N ATOM 546 CA LYS A 39 -3.016 5.902 -2.831 1.00 0.00 C ATOM 547 C LYS A 39 -3.896 5.303 -1.736 1.00 0.00 C ATOM 548 O LYS A 39 -3.735 4.133 -1.410 1.00 0.00 O ATOM 549 CB LYS A 39 -3.345 5.264 -4.197 1.00 0.00 C ATOM 550 CG LYS A 39 -4.817 5.344 -4.654 1.00 0.00 C ATOM 551 CD LYS A 39 -5.272 6.793 -4.877 1.00 0.00 C ATOM 552 CE LYS A 39 -6.616 6.863 -5.612 1.00 0.00 C ATOM 553 NZ LYS A 39 -6.984 8.268 -5.912 1.00 0.00 N ATOM 0 H LYS A 39 -1.348 4.719 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.222 6.972 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.725 5.742 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.054 4.214 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.941 4.779 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.455 4.875 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.357 7.299 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.515 7.327 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.558 6.292 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.393 6.402 -5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.897 8.289 -6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.061 8.804 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.252 8.698 -6.513 1.00 0.00 H new ATOM 567 N ILE A 40 -4.877 6.067 -1.256 1.00 0.00 N ATOM 568 CA ILE A 40 -6.055 5.563 -0.532 1.00 0.00 C ATOM 569 C ILE A 40 -7.251 5.559 -1.491 1.00 0.00 C ATOM 570 O ILE A 40 -7.416 6.503 -2.273 1.00 0.00 O ATOM 571 CB ILE A 40 -6.299 6.400 0.752 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.895 5.586 1.918 1.00 0.00 C ATOM 573 CG2 ILE A 40 -7.106 7.692 0.540 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.237 4.872 1.710 1.00 0.00 C ATOM 0 H ILE A 40 -4.879 7.082 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.896 4.539 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.290 6.704 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.161 4.833 2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.008 6.260 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.224 8.208 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.578 8.340 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.088 7.445 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.515 4.346 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -9.005 5.605 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.146 4.156 0.893 1.00 0.00 H new ATOM 586 N ILE A 41 -8.107 4.537 -1.437 1.00 0.00 N ATOM 587 CA ILE A 41 -9.399 4.557 -2.130 1.00 0.00 C ATOM 588 C ILE A 41 -10.593 4.373 -1.174 1.00 0.00 C ATOM 589 O ILE A 41 -10.646 3.496 -0.298 1.00 0.00 O ATOM 590 CB ILE A 41 -9.367 3.643 -3.371 1.00 0.00 C ATOM 591 CG1 ILE A 41 -10.635 3.754 -4.247 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.022 2.200 -2.976 1.00 0.00 C ATOM 593 CD1 ILE A 41 -10.799 5.122 -4.925 1.00 0.00 C ATOM 0 H ILE A 41 -7.928 3.678 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.574 5.557 -2.527 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.564 4.001 -4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.605 2.980 -5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.511 3.557 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.005 1.573 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.043 2.178 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.773 1.823 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.711 5.125 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.861 5.900 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.942 5.313 -5.570 1.00 0.00 H new ATOM 605 N ASN A 42 -11.548 5.281 -1.351 1.00 0.00 N ATOM 606 CA ASN A 42 -12.780 5.433 -0.597 1.00 0.00 C ATOM 607 C ASN A 42 -13.839 6.158 -1.453 1.00 0.00 C ATOM 608 O ASN A 42 -13.550 6.724 -2.512 1.00 0.00 O ATOM 609 CB ASN A 42 -12.477 6.154 0.738 1.00 0.00 C ATOM 610 CG ASN A 42 -11.907 7.563 0.640 1.00 0.00 C ATOM 611 OD1 ASN A 42 -11.787 8.166 -0.416 1.00 0.00 O ATOM 612 ND2 ASN A 42 -11.530 8.129 1.759 1.00 0.00 N ATOM 0 H ASN A 42 -11.470 5.984 -2.086 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.199 4.458 -0.349 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.399 6.200 1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.775 5.542 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.138 9.070 1.747 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.629 7.628 2.642 1.00 0.00 H new ATOM 619 N ASP A 43 -15.076 6.119 -0.983 1.00 0.00 N ATOM 620 CA ASP A 43 -16.257 6.745 -1.565 1.00 0.00 C ATOM 621 C ASP A 43 -16.687 7.941 -0.695 1.00 0.00 C ATOM 622 O ASP A 43 -17.505 7.801 0.218 1.00 0.00 O ATOM 623 CB ASP A 43 -17.338 5.656 -1.656 1.00 0.00 C ATOM 624 CG ASP A 43 -17.014 4.613 -2.727 1.00 0.00 C ATOM 625 OD1 ASP A 43 -17.334 4.862 -3.914 1.00 0.00 O ATOM 626 OD2 ASP A 43 -16.427 3.548 -2.421 1.00 0.00 O ATOM 0 H ASP A 43 -15.299 5.614 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 43 -16.067 7.143 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -17.438 5.163 -0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -18.300 6.118 -1.879 1.00 0.00 H new ATOM 631 N ARG A 44 -16.127 9.136 -0.947 1.00 0.00 N ATOM 632 CA ARG A 44 -16.315 10.332 -0.093 1.00 0.00 C ATOM 633 C ARG A 44 -17.752 10.884 -0.116 1.00 0.00 C ATOM 634 O ARG A 44 -18.159 11.569 0.827 1.00 0.00 O ATOM 635 CB ARG A 44 -15.273 11.416 -0.450 1.00 0.00 C ATOM 636 CG ARG A 44 -13.822 10.937 -0.227 1.00 0.00 C ATOM 637 CD ARG A 44 -12.740 12.005 -0.469 1.00 0.00 C ATOM 638 NE ARG A 44 -12.652 12.461 -1.872 1.00 0.00 N ATOM 639 CZ ARG A 44 -11.565 12.730 -2.582 1.00 0.00 C ATOM 640 NH1 ARG A 44 -10.347 12.503 -2.170 1.00 0.00 N ATOM 641 NH2 ARG A 44 -11.697 13.260 -3.760 1.00 0.00 N ATOM 0 H ARG A 44 -15.526 9.306 -1.754 1.00 0.00 H new ATOM 0 HA ARG A 44 -16.149 10.016 0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.400 11.708 -1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.456 12.304 0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.729 10.572 0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.629 10.090 -0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.942 12.864 0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.773 11.603 -0.166 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.541 12.585 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.188 12.094 -1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.555 12.735 -2.769 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.627 13.463 -4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.871 13.473 -4.319 1.00 0.00 H new ATOM 655 N GLU A 45 -18.552 10.517 -1.121 1.00 0.00 N ATOM 656 CA GLU A 45 -19.982 10.860 -1.213 1.00 0.00 C ATOM 657 C GLU A 45 -20.834 10.193 -0.106 1.00 0.00 C ATOM 658 O GLU A 45 -21.878 10.735 0.263 1.00 0.00 O ATOM 659 CB GLU A 45 -20.503 10.490 -2.619 1.00 0.00 C ATOM 660 CG GLU A 45 -21.747 11.290 -3.034 1.00 0.00 C ATOM 661 CD GLU A 45 -22.445 10.680 -4.258 1.00 0.00 C ATOM 662 OE1 GLU A 45 -21.906 10.746 -5.394 1.00 0.00 O ATOM 663 OE2 GLU A 45 -23.562 10.138 -4.094 1.00 0.00 O ATOM 0 H GLU A 45 -18.222 9.962 -1.911 1.00 0.00 H new ATOM 0 HA GLU A 45 -20.080 11.934 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -19.711 10.658 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -20.738 9.426 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -22.447 11.329 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -21.459 12.318 -3.256 1.00 0.00 H new ATOM 670 N THR A 46 -20.388 9.049 0.442 1.00 0.00 N ATOM 671 CA THR A 46 -21.008 8.348 1.596 1.00 0.00 C ATOM 672 C THR A 46 -20.055 8.087 2.779 1.00 0.00 C ATOM 673 O THR A 46 -20.480 7.626 3.845 1.00 0.00 O ATOM 674 CB THR A 46 -21.676 7.030 1.164 1.00 0.00 C ATOM 675 OG1 THR A 46 -20.774 6.181 0.484 1.00 0.00 O ATOM 676 CG2 THR A 46 -22.867 7.264 0.237 1.00 0.00 C ATOM 0 H THR A 46 -19.562 8.567 0.088 1.00 0.00 H new ATOM 0 HA THR A 46 -21.764 9.044 1.960 1.00 0.00 H new ATOM 0 HB THR A 46 -22.011 6.562 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.233 5.354 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 46 -23.306 6.306 -0.041 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.614 7.870 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.533 7.784 -0.661 1.00 0.00 H new ATOM 684 N GLY A 47 -18.758 8.367 2.630 1.00 0.00 N ATOM 685 CA GLY A 47 -17.723 8.168 3.655 1.00 0.00 C ATOM 686 C GLY A 47 -17.258 6.714 3.803 1.00 0.00 C ATOM 687 O GLY A 47 -16.577 6.385 4.774 1.00 0.00 O ATOM 0 H GLY A 47 -18.383 8.752 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.862 8.790 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.106 8.515 4.615 1.00 0.00 H new ATOM 691 N ARG A 48 -17.634 5.842 2.860 1.00 0.00 N ATOM 692 CA ARG A 48 -17.317 4.408 2.853 1.00 0.00 C ATOM 693 C ARG A 48 -15.872 4.178 2.404 1.00 0.00 C ATOM 694 O ARG A 48 -15.465 4.642 1.345 1.00 0.00 O ATOM 695 CB ARG A 48 -18.370 3.695 1.979 1.00 0.00 C ATOM 696 CG ARG A 48 -18.099 2.210 1.681 1.00 0.00 C ATOM 697 CD ARG A 48 -17.351 2.022 0.352 1.00 0.00 C ATOM 698 NE ARG A 48 -17.102 0.601 0.077 1.00 0.00 N ATOM 699 CZ ARG A 48 -16.765 0.069 -1.079 1.00 0.00 C ATOM 700 NH1 ARG A 48 -16.555 0.760 -2.164 1.00 0.00 N ATOM 701 NH2 ARG A 48 -16.629 -1.215 -1.141 1.00 0.00 N ATOM 0 H ARG A 48 -18.187 6.125 2.051 1.00 0.00 H new ATOM 0 HA ARG A 48 -17.371 3.981 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.339 3.776 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -18.449 4.228 1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.513 1.778 2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.044 1.668 1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.934 2.455 -0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.403 2.560 0.386 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.200 -0.041 0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.650 1.775 -2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.296 0.285 -3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.782 -1.785 -0.309 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.369 -1.658 -2.022 1.00 0.00 H new ATOM 715 N SER A 49 -15.097 3.414 3.166 1.00 0.00 N ATOM 716 CA SER A 49 -13.720 3.038 2.813 1.00 0.00 C ATOM 717 C SER A 49 -13.709 1.743 1.988 1.00 0.00 C ATOM 718 O SER A 49 -14.331 0.764 2.399 1.00 0.00 O ATOM 719 CB SER A 49 -12.872 2.869 4.085 1.00 0.00 C ATOM 720 OG SER A 49 -12.864 4.056 4.856 1.00 0.00 O ATOM 0 H SER A 49 -15.405 3.030 4.059 1.00 0.00 H new ATOM 0 HA SER A 49 -13.288 3.835 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.267 2.047 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.851 2.603 3.812 1.00 0.00 H new ATOM 0 HG SER A 49 -12.096 4.045 5.465 1.00 0.00 H new ATOM 726 N ARG A 50 -12.937 1.664 0.888 1.00 0.00 N ATOM 727 CA ARG A 50 -12.605 0.351 0.278 1.00 0.00 C ATOM 728 C ARG A 50 -11.683 -0.425 1.215 1.00 0.00 C ATOM 729 O ARG A 50 -11.844 -1.628 1.419 1.00 0.00 O ATOM 730 CB ARG A 50 -11.871 0.521 -1.066 1.00 0.00 C ATOM 731 CG ARG A 50 -12.726 1.008 -2.243 1.00 0.00 C ATOM 732 CD ARG A 50 -13.183 -0.134 -3.162 1.00 0.00 C ATOM 733 NE ARG A 50 -12.047 -0.826 -3.820 1.00 0.00 N ATOM 734 CZ ARG A 50 -11.853 -2.129 -3.934 1.00 0.00 C ATOM 735 NH1 ARG A 50 -12.720 -3.011 -3.536 1.00 0.00 N ATOM 736 NH2 ARG A 50 -10.747 -2.561 -4.463 1.00 0.00 N ATOM 0 H ARG A 50 -12.537 2.470 0.408 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.542 -0.180 0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.051 1.225 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.426 -0.436 -1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.602 1.530 -1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.155 1.730 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.756 -0.856 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.852 0.264 -3.925 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.332 -0.226 -4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.598 -2.709 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.523 -4.006 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.042 -1.897 -4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.584 -3.564 -4.557 1.00 0.00 H new ATOM 750 N GLY A 51 -10.724 0.302 1.788 1.00 0.00 N ATOM 751 CA GLY A 51 -9.724 -0.228 2.720 1.00 0.00 C ATOM 752 C GLY A 51 -8.488 -0.840 2.045 1.00 0.00 C ATOM 753 O GLY A 51 -7.692 -1.524 2.686 1.00 0.00 O ATOM 0 H GLY A 51 -10.617 1.301 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.401 0.575 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.194 -0.987 3.345 1.00 0.00 H new ATOM 757 N PHE A 52 -8.314 -0.556 0.755 1.00 0.00 N ATOM 758 CA PHE A 52 -7.171 -0.931 -0.071 1.00 0.00 C ATOM 759 C PHE A 52 -6.456 0.332 -0.587 1.00 0.00 C ATOM 760 O PHE A 52 -6.972 1.448 -0.462 1.00 0.00 O ATOM 761 CB PHE A 52 -7.624 -1.827 -1.237 1.00 0.00 C ATOM 762 CG PHE A 52 -8.230 -3.177 -0.901 1.00 0.00 C ATOM 763 CD1 PHE A 52 -7.408 -4.318 -0.832 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.627 -3.324 -0.777 1.00 0.00 C ATOM 765 CE1 PHE A 52 -7.972 -5.591 -0.636 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.193 -4.598 -0.589 1.00 0.00 C ATOM 767 CZ PHE A 52 -9.366 -5.733 -0.523 1.00 0.00 C ATOM 0 H PHE A 52 -9.009 -0.027 0.229 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.466 -1.500 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.354 -1.269 -1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.762 -1.999 -1.882 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.337 -4.215 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.265 -2.454 -0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.334 -6.460 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.264 -4.704 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.801 -6.712 -0.386 1.00 0.00 H new ATOM 777 N GLY A 53 -5.278 0.149 -1.176 1.00 0.00 N ATOM 778 CA GLY A 53 -4.453 1.221 -1.721 1.00 0.00 C ATOM 779 C GLY A 53 -3.314 0.729 -2.616 1.00 0.00 C ATOM 780 O GLY A 53 -3.112 -0.473 -2.795 1.00 0.00 O ATOM 0 H GLY A 53 -4.860 -0.774 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.086 1.899 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.032 1.798 -0.897 1.00 0.00 H new ATOM 784 N PHE A 54 -2.565 1.683 -3.168 1.00 0.00 N ATOM 785 CA PHE A 54 -1.270 1.456 -3.822 1.00 0.00 C ATOM 786 C PHE A 54 -0.130 2.130 -3.041 1.00 0.00 C ATOM 787 O PHE A 54 -0.365 3.088 -2.299 1.00 0.00 O ATOM 788 CB PHE A 54 -1.300 1.928 -5.287 1.00 0.00 C ATOM 789 CG PHE A 54 -2.360 1.284 -6.166 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.324 -0.101 -6.421 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.362 2.074 -6.763 1.00 0.00 C ATOM 792 CE1 PHE A 54 -3.291 -0.692 -7.256 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.327 1.482 -7.599 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.296 0.099 -7.841 1.00 0.00 C ATOM 0 H PHE A 54 -2.847 2.663 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.079 0.383 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.452 3.007 -5.299 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.322 1.739 -5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.553 -0.711 -5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.390 3.138 -6.578 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.261 -1.754 -7.448 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.093 2.092 -8.055 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.042 -0.356 -8.475 1.00 0.00 H new ATOM 804 N VAL A 55 1.105 1.659 -3.238 1.00 0.00 N ATOM 805 CA VAL A 55 2.337 2.336 -2.793 1.00 0.00 C ATOM 806 C VAL A 55 3.464 2.145 -3.820 1.00 0.00 C ATOM 807 O VAL A 55 3.636 1.046 -4.359 1.00 0.00 O ATOM 808 CB VAL A 55 2.718 1.895 -1.363 1.00 0.00 C ATOM 809 CG1 VAL A 55 3.031 0.401 -1.236 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.899 2.698 -0.811 1.00 0.00 C ATOM 0 H VAL A 55 1.285 0.779 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 55 2.158 3.410 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 55 1.825 2.098 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.290 0.170 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.157 -0.180 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.870 0.149 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.133 2.355 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.768 2.556 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.638 3.756 -0.783 1.00 0.00 H new ATOM 820 N SER A 56 4.207 3.219 -4.115 1.00 0.00 N ATOM 821 CA SER A 56 5.134 3.326 -5.256 1.00 0.00 C ATOM 822 C SER A 56 6.575 3.635 -4.836 1.00 0.00 C ATOM 823 O SER A 56 6.846 4.604 -4.122 1.00 0.00 O ATOM 824 CB SER A 56 4.682 4.421 -6.223 1.00 0.00 C ATOM 825 OG SER A 56 3.322 4.292 -6.607 1.00 0.00 O ATOM 0 H SER A 56 4.181 4.067 -3.549 1.00 0.00 H new ATOM 0 HA SER A 56 5.116 2.348 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.832 5.395 -5.757 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.310 4.394 -7.114 1.00 0.00 H new ATOM 0 HG SER A 56 3.086 5.017 -7.223 1.00 0.00 H new ATOM 831 N PHE A 57 7.517 2.838 -5.339 1.00 0.00 N ATOM 832 CA PHE A 57 8.919 2.814 -4.902 1.00 0.00 C ATOM 833 C PHE A 57 9.837 3.731 -5.733 1.00 0.00 C ATOM 834 O PHE A 57 9.396 4.392 -6.675 1.00 0.00 O ATOM 835 CB PHE A 57 9.394 1.349 -4.917 1.00 0.00 C ATOM 836 CG PHE A 57 8.592 0.438 -4.006 1.00 0.00 C ATOM 837 CD1 PHE A 57 7.426 -0.196 -4.477 1.00 0.00 C ATOM 838 CD2 PHE A 57 8.995 0.252 -2.671 1.00 0.00 C ATOM 839 CE1 PHE A 57 6.658 -0.996 -3.614 1.00 0.00 C ATOM 840 CE2 PHE A 57 8.237 -0.564 -1.814 1.00 0.00 C ATOM 841 CZ PHE A 57 7.067 -1.187 -2.285 1.00 0.00 C ATOM 0 H PHE A 57 7.323 2.170 -6.085 1.00 0.00 H new ATOM 0 HA PHE A 57 8.979 3.219 -3.892 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.338 0.969 -5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.442 1.313 -4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.121 -0.067 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.888 0.737 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.753 -1.464 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.553 -0.713 -0.792 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.484 -1.812 -1.625 1.00 0.00 H new ATOM 851 N SER A 58 11.127 3.742 -5.375 1.00 0.00 N ATOM 852 CA SER A 58 12.237 4.423 -6.068 1.00 0.00 C ATOM 853 C SER A 58 13.174 3.482 -6.853 1.00 0.00 C ATOM 854 O SER A 58 13.994 3.971 -7.631 1.00 0.00 O ATOM 855 CB SER A 58 13.058 5.236 -5.050 1.00 0.00 C ATOM 856 OG SER A 58 13.186 4.553 -3.811 1.00 0.00 O ATOM 0 H SER A 58 11.447 3.246 -4.543 1.00 0.00 H new ATOM 0 HA SER A 58 11.774 5.072 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.048 5.436 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.580 6.202 -4.885 1.00 0.00 H new ATOM 0 HG SER A 58 12.491 4.862 -3.194 1.00 0.00 H new ATOM 862 N ASN A 59 13.073 2.156 -6.658 1.00 0.00 N ATOM 863 CA ASN A 59 13.891 1.124 -7.315 1.00 0.00 C ATOM 864 C ASN A 59 13.157 -0.224 -7.434 1.00 0.00 C ATOM 865 O ASN A 59 12.249 -0.531 -6.657 1.00 0.00 O ATOM 866 CB ASN A 59 15.199 0.904 -6.530 1.00 0.00 C ATOM 867 CG ASN A 59 16.218 1.994 -6.771 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.595 2.268 -7.906 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.721 2.611 -5.732 1.00 0.00 N ATOM 0 H ASN A 59 12.391 1.759 -6.012 1.00 0.00 H new ATOM 0 HA ASN A 59 14.102 1.487 -8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.974 0.853 -5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.629 -0.057 -6.811 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.434 3.328 -5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.399 2.374 -4.793 1.00 0.00 H new ATOM 876 N GLU A 60 13.625 -1.060 -8.362 1.00 0.00 N ATOM 877 CA GLU A 60 13.041 -2.369 -8.693 1.00 0.00 C ATOM 878 C GLU A 60 13.190 -3.390 -7.549 1.00 0.00 C ATOM 879 O GLU A 60 12.233 -4.092 -7.204 1.00 0.00 O ATOM 880 CB GLU A 60 13.676 -2.945 -9.976 1.00 0.00 C ATOM 881 CG GLU A 60 13.875 -1.974 -11.151 1.00 0.00 C ATOM 882 CD GLU A 60 15.246 -1.293 -11.120 1.00 0.00 C ATOM 883 OE1 GLU A 60 15.391 -0.233 -10.463 1.00 0.00 O ATOM 884 OE2 GLU A 60 16.190 -1.835 -11.744 1.00 0.00 O ATOM 0 H GLU A 60 14.447 -0.841 -8.924 1.00 0.00 H new ATOM 0 HA GLU A 60 11.977 -2.197 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.647 -3.365 -9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.054 -3.771 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.763 -2.516 -12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.094 -1.214 -11.127 1.00 0.00 H new ATOM 891 N GLN A 61 14.377 -3.451 -6.933 1.00 0.00 N ATOM 892 CA GLN A 61 14.678 -4.349 -5.811 1.00 0.00 C ATOM 893 C GLN A 61 14.036 -3.884 -4.498 1.00 0.00 C ATOM 894 O GLN A 61 13.610 -4.725 -3.712 1.00 0.00 O ATOM 895 CB GLN A 61 16.199 -4.481 -5.623 1.00 0.00 C ATOM 896 CG GLN A 61 16.871 -5.280 -6.752 1.00 0.00 C ATOM 897 CD GLN A 61 18.394 -5.320 -6.645 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.013 -4.930 -5.658 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.064 -5.782 -7.671 1.00 0.00 N ATOM 0 H GLN A 61 15.169 -2.868 -7.205 1.00 0.00 H new ATOM 0 HA GLN A 61 14.250 -5.320 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.642 -3.486 -5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.402 -4.968 -4.669 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.487 -6.300 -6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.593 -4.843 -7.711 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.567 -6.110 -8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.083 -5.814 -7.642 1.00 0.00 H new ATOM 908 N ALA A 62 13.902 -2.571 -4.273 1.00 0.00 N ATOM 909 CA ALA A 62 13.265 -2.024 -3.067 1.00 0.00 C ATOM 910 C ALA A 62 11.794 -2.461 -2.942 1.00 0.00 C ATOM 911 O ALA A 62 11.326 -2.754 -1.844 1.00 0.00 O ATOM 912 CB ALA A 62 13.391 -0.498 -3.098 1.00 0.00 C ATOM 0 H ALA A 62 14.232 -1.857 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 62 13.774 -2.418 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.923 -0.076 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.445 -0.220 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.895 -0.110 -3.988 1.00 0.00 H new ATOM 918 N MET A 63 11.094 -2.583 -4.076 1.00 0.00 N ATOM 919 CA MET A 63 9.758 -3.181 -4.144 1.00 0.00 C ATOM 920 C MET A 63 9.757 -4.633 -3.639 1.00 0.00 C ATOM 921 O MET A 63 8.898 -5.000 -2.839 1.00 0.00 O ATOM 922 CB MET A 63 9.267 -3.079 -5.598 1.00 0.00 C ATOM 923 CG MET A 63 7.887 -3.693 -5.835 1.00 0.00 C ATOM 924 SD MET A 63 7.372 -3.604 -7.570 1.00 0.00 S ATOM 925 CE MET A 63 5.910 -4.669 -7.507 1.00 0.00 C ATOM 0 H MET A 63 11.444 -2.266 -4.980 1.00 0.00 H new ATOM 0 HA MET A 63 9.077 -2.640 -3.487 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.240 -2.029 -5.888 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.989 -3.572 -6.249 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.898 -4.735 -5.516 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.153 -3.178 -5.215 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.461 -4.729 -8.498 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.201 -5.667 -7.179 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.187 -4.253 -6.806 1.00 0.00 H new ATOM 935 N GLN A 64 10.728 -5.452 -4.055 1.00 0.00 N ATOM 936 CA GLN A 64 10.784 -6.873 -3.691 1.00 0.00 C ATOM 937 C GLN A 64 11.211 -7.089 -2.238 1.00 0.00 C ATOM 938 O GLN A 64 10.603 -7.882 -1.520 1.00 0.00 O ATOM 939 CB GLN A 64 11.727 -7.635 -4.638 1.00 0.00 C ATOM 940 CG GLN A 64 11.416 -7.478 -6.134 1.00 0.00 C ATOM 941 CD GLN A 64 9.923 -7.492 -6.431 1.00 0.00 C ATOM 942 OE1 GLN A 64 9.348 -6.492 -6.834 1.00 0.00 O ATOM 943 NE2 GLN A 64 9.255 -8.600 -6.235 1.00 0.00 N ATOM 0 H GLN A 64 11.497 -5.150 -4.653 1.00 0.00 H new ATOM 0 HA GLN A 64 9.772 -7.266 -3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.748 -7.298 -4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.692 -8.695 -4.385 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.844 -6.542 -6.493 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.899 -8.283 -6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.737 -9.433 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.252 -8.630 -6.419 1.00 0.00 H new ATOM 952 N ASP A 65 12.223 -6.342 -1.791 1.00 0.00 N ATOM 953 CA ASP A 65 12.714 -6.361 -0.416 1.00 0.00 C ATOM 954 C ASP A 65 11.623 -5.945 0.580 1.00 0.00 C ATOM 955 O ASP A 65 11.522 -6.542 1.653 1.00 0.00 O ATOM 956 CB ASP A 65 13.932 -5.432 -0.330 1.00 0.00 C ATOM 957 CG ASP A 65 14.664 -5.566 1.004 1.00 0.00 C ATOM 958 OD1 ASP A 65 15.471 -6.515 1.144 1.00 0.00 O ATOM 959 OD2 ASP A 65 14.467 -4.719 1.906 1.00 0.00 O ATOM 0 H ASP A 65 12.734 -5.693 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 65 13.003 -7.377 -0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.619 -5.660 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.610 -4.399 -0.464 1.00 0.00 H new ATOM 964 N ALA A 66 10.764 -4.991 0.190 1.00 0.00 N ATOM 965 CA ALA A 66 9.602 -4.593 0.981 1.00 0.00 C ATOM 966 C ALA A 66 8.520 -5.686 0.994 1.00 0.00 C ATOM 967 O ALA A 66 8.179 -6.177 2.063 1.00 0.00 O ATOM 968 CB ALA A 66 9.073 -3.249 0.470 1.00 0.00 C ATOM 0 H ALA A 66 10.861 -4.476 -0.685 1.00 0.00 H new ATOM 0 HA ALA A 66 9.906 -4.466 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.206 -2.951 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.852 -2.492 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.784 -3.346 -0.577 1.00 0.00 H new ATOM 974 N ILE A 67 8.007 -6.116 -0.165 1.00 0.00 N ATOM 975 CA ILE A 67 6.977 -7.173 -0.294 1.00 0.00 C ATOM 976 C ILE A 67 7.361 -8.451 0.482 1.00 0.00 C ATOM 977 O ILE A 67 6.543 -8.978 1.239 1.00 0.00 O ATOM 978 CB ILE A 67 6.680 -7.444 -1.794 1.00 0.00 C ATOM 979 CG1 ILE A 67 5.992 -6.216 -2.442 1.00 0.00 C ATOM 980 CG2 ILE A 67 5.779 -8.675 -2.019 1.00 0.00 C ATOM 981 CD1 ILE A 67 5.969 -6.270 -3.977 1.00 0.00 C ATOM 0 H ILE A 67 8.298 -5.734 -1.065 1.00 0.00 H new ATOM 0 HA ILE A 67 6.055 -6.819 0.167 1.00 0.00 H new ATOM 0 HB ILE A 67 7.647 -7.639 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.969 -6.145 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.509 -5.310 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.609 -8.811 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.266 -9.562 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.824 -8.524 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.473 -5.380 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.991 -6.310 -4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.427 -7.158 -4.302 1.00 0.00 H new ATOM 993 N GLU A 68 8.614 -8.915 0.393 1.00 0.00 N ATOM 994 CA GLU A 68 9.095 -10.095 1.136 1.00 0.00 C ATOM 995 C GLU A 68 9.204 -9.865 2.666 1.00 0.00 C ATOM 996 O GLU A 68 9.174 -10.829 3.439 1.00 0.00 O ATOM 997 CB GLU A 68 10.418 -10.569 0.497 1.00 0.00 C ATOM 998 CG GLU A 68 10.829 -11.988 0.920 1.00 0.00 C ATOM 999 CD GLU A 68 11.996 -12.524 0.080 1.00 0.00 C ATOM 1000 OE1 GLU A 68 13.151 -12.059 0.259 1.00 0.00 O ATOM 1001 OE2 GLU A 68 11.790 -13.461 -0.732 1.00 0.00 O ATOM 0 H GLU A 68 9.327 -8.485 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 68 8.352 -10.888 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.321 -10.536 -0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.213 -9.873 0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.112 -11.985 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.974 -12.657 0.822 1.00 0.00 H new ATOM 1008 N GLY A 69 9.261 -8.603 3.112 1.00 0.00 N ATOM 1009 CA GLY A 69 9.210 -8.158 4.514 1.00 0.00 C ATOM 1010 C GLY A 69 7.830 -7.686 5.010 1.00 0.00 C ATOM 1011 O GLY A 69 7.694 -7.349 6.187 1.00 0.00 O ATOM 0 H GLY A 69 9.349 -7.818 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.544 -8.978 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.922 -7.343 4.644 1.00 0.00 H new ATOM 1015 N MET A 70 6.818 -7.656 4.134 1.00 0.00 N ATOM 1016 CA MET A 70 5.465 -7.124 4.384 1.00 0.00 C ATOM 1017 C MET A 70 4.411 -8.215 4.610 1.00 0.00 C ATOM 1018 O MET A 70 3.422 -7.978 5.301 1.00 0.00 O ATOM 1019 CB MET A 70 5.063 -6.242 3.181 1.00 0.00 C ATOM 1020 CG MET A 70 5.669 -4.839 3.287 1.00 0.00 C ATOM 1021 SD MET A 70 4.937 -3.798 4.582 1.00 0.00 S ATOM 1022 CE MET A 70 6.134 -2.443 4.584 1.00 0.00 C ATOM 0 H MET A 70 6.921 -8.018 3.186 1.00 0.00 H new ATOM 0 HA MET A 70 5.500 -6.546 5.308 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.394 -6.714 2.256 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.977 -6.168 3.130 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.739 -4.932 3.475 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.557 -4.335 2.327 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.617 -1.501 4.768 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.872 -2.611 5.368 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.635 -2.399 3.617 1.00 0.00 H new ATOM 1032 N ASN A 71 4.605 -9.401 4.029 1.00 0.00 N ATOM 1033 CA ASN A 71 3.605 -10.471 3.941 1.00 0.00 C ATOM 1034 C ASN A 71 3.010 -10.896 5.309 1.00 0.00 C ATOM 1035 O ASN A 71 3.595 -11.714 6.028 1.00 0.00 O ATOM 1036 CB ASN A 71 4.267 -11.638 3.182 1.00 0.00 C ATOM 1037 CG ASN A 71 3.278 -12.687 2.712 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.082 -12.626 2.971 1.00 0.00 O ATOM 1039 ND2 ASN A 71 3.733 -13.639 1.940 1.00 0.00 N ATOM 0 H ASN A 71 5.492 -9.653 3.592 1.00 0.00 H new ATOM 0 HA ASN A 71 2.731 -10.108 3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.804 -11.243 2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.006 -12.110 3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.092 -14.332 1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.729 -13.689 1.725 1.00 0.00 H new ATOM 1046 N GLY A 72 1.831 -10.360 5.651 1.00 0.00 N ATOM 1047 CA GLY A 72 1.098 -10.658 6.888 1.00 0.00 C ATOM 1048 C GLY A 72 1.396 -9.763 8.103 1.00 0.00 C ATOM 1049 O GLY A 72 0.917 -10.073 9.197 1.00 0.00 O ATOM 0 H GLY A 72 1.347 -9.687 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.031 -10.596 6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.308 -11.691 7.167 1.00 0.00 H new ATOM 1053 N LYS A 73 2.158 -8.666 7.959 1.00 0.00 N ATOM 1054 CA LYS A 73 2.415 -7.706 9.057 1.00 0.00 C ATOM 1055 C LYS A 73 1.157 -6.964 9.520 1.00 0.00 C ATOM 1056 O LYS A 73 0.214 -6.782 8.756 1.00 0.00 O ATOM 1057 CB LYS A 73 3.473 -6.672 8.641 1.00 0.00 C ATOM 1058 CG LYS A 73 4.914 -7.212 8.676 1.00 0.00 C ATOM 1059 CD LYS A 73 5.860 -6.188 9.319 1.00 0.00 C ATOM 1060 CE LYS A 73 5.890 -4.857 8.556 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.381 -3.760 9.418 1.00 0.00 N ATOM 0 H LYS A 73 2.614 -8.416 7.082 1.00 0.00 H new ATOM 0 HA LYS A 73 2.776 -8.305 9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.250 -6.323 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.402 -5.807 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.944 -8.146 9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.248 -7.438 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.549 -6.007 10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.867 -6.603 9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.532 -4.951 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.890 -4.619 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.391 -2.872 8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.753 -3.657 10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.344 -3.979 9.743 1.00 0.00 H new ATOM 1075 N GLU A 74 1.167 -6.456 10.750 1.00 0.00 N ATOM 1076 CA GLU A 74 0.145 -5.534 11.261 1.00 0.00 C ATOM 1077 C GLU A 74 0.559 -4.075 10.999 1.00 0.00 C ATOM 1078 O GLU A 74 1.493 -3.567 11.627 1.00 0.00 O ATOM 1079 CB GLU A 74 -0.089 -5.777 12.764 1.00 0.00 C ATOM 1080 CG GLU A 74 -0.795 -7.105 13.068 1.00 0.00 C ATOM 1081 CD GLU A 74 -0.783 -7.440 14.568 1.00 0.00 C ATOM 1082 OE1 GLU A 74 -1.356 -6.668 15.378 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -0.251 -8.522 14.925 1.00 0.00 O ATOM 0 H GLU A 74 1.893 -6.674 11.432 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.791 -5.721 10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.871 -5.759 13.280 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.684 -4.958 13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.826 -7.055 12.717 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.308 -7.908 12.514 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.162 -3.378 10.115 1.00 0.00 N ATOM 1091 CA LEU A 75 -0.110 -1.915 9.953 1.00 0.00 C ATOM 1092 C LEU A 75 -1.421 -1.332 10.494 1.00 0.00 C ATOM 1093 O LEU A 75 -2.493 -1.858 10.204 1.00 0.00 O ATOM 1094 CB LEU A 75 0.102 -1.529 8.473 1.00 0.00 C ATOM 1095 CG LEU A 75 1.560 -1.304 8.023 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.504 -2.465 8.333 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.584 -1.060 6.511 1.00 0.00 C ATOM 0 H LEU A 75 -0.817 -3.825 9.473 1.00 0.00 H new ATOM 0 HA LEU A 75 0.735 -1.508 10.509 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.330 -2.313 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.461 -0.617 8.274 1.00 0.00 H new ATOM 0 HG LEU A 75 1.919 -0.445 8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.507 -2.222 7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.527 -2.638 9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.152 -3.365 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.612 -0.900 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.171 -1.927 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.987 -0.179 6.275 1.00 0.00 H new ATOM 1109 N ASP A 76 -1.348 -0.274 11.303 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.493 0.299 12.033 1.00 0.00 C ATOM 1111 C ASP A 76 -3.328 -0.729 12.843 1.00 0.00 C ATOM 1112 O ASP A 76 -4.538 -0.568 13.037 1.00 0.00 O ATOM 1113 CB ASP A 76 -3.325 1.189 11.092 1.00 0.00 C ATOM 1114 CG ASP A 76 -4.209 2.189 11.854 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -3.777 2.707 12.916 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -5.329 2.493 11.375 1.00 0.00 O ATOM 0 H ASP A 76 -0.475 0.223 11.477 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.087 0.935 12.820 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.655 1.735 10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.954 0.559 10.464 1.00 0.00 H new ATOM 1121 N GLY A 77 -2.690 -1.815 13.300 1.00 0.00 N ATOM 1122 CA GLY A 77 -3.315 -2.950 13.991 1.00 0.00 C ATOM 1123 C GLY A 77 -3.994 -3.984 13.078 1.00 0.00 C ATOM 1124 O GLY A 77 -4.607 -4.926 13.585 1.00 0.00 O ATOM 0 H GLY A 77 -1.682 -1.931 13.194 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.553 -3.457 14.583 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.057 -2.564 14.690 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.905 -3.833 11.749 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.646 -4.600 10.729 1.00 0.00 C ATOM 1130 C ARG A 78 -3.690 -5.433 9.864 1.00 0.00 C ATOM 1131 O ARG A 78 -2.741 -4.894 9.290 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.456 -3.604 9.874 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.501 -2.773 10.645 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.831 -3.512 10.817 1.00 0.00 C ATOM 1135 NE ARG A 78 -8.618 -3.489 9.571 1.00 0.00 N ATOM 1136 CZ ARG A 78 -9.880 -3.841 9.424 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -10.586 -4.339 10.395 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -10.463 -3.705 8.272 1.00 0.00 N ATOM 0 H ARG A 78 -3.284 -3.139 11.332 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.324 -5.304 11.211 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.761 -2.921 9.385 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.966 -4.158 9.086 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.103 -2.516 11.627 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.676 -1.836 10.117 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.641 -4.544 11.111 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.405 -3.051 11.621 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.135 -3.166 8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.166 -4.471 11.315 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.560 -4.598 10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.945 -3.326 7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.439 -3.978 8.159 1.00 0.00 H new ATOM 1152 N SER A 79 -3.932 -6.737 9.738 1.00 0.00 N ATOM 1153 CA SER A 79 -2.995 -7.690 9.112 1.00 0.00 C ATOM 1154 C SER A 79 -3.022 -7.637 7.572 1.00 0.00 C ATOM 1155 O SER A 79 -4.009 -8.039 6.945 1.00 0.00 O ATOM 1156 CB SER A 79 -3.263 -9.107 9.631 1.00 0.00 C ATOM 1157 OG SER A 79 -3.022 -9.161 11.028 1.00 0.00 O ATOM 0 H SER A 79 -4.792 -7.174 10.069 1.00 0.00 H new ATOM 0 HA SER A 79 -1.987 -7.392 9.400 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.293 -9.393 9.419 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.621 -9.821 9.114 1.00 0.00 H new ATOM 0 HG SER A 79 -3.196 -10.068 11.355 1.00 0.00 H new ATOM 1163 N ILE A 80 -1.943 -7.131 6.961 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.857 -6.768 5.533 1.00 0.00 C ATOM 1165 C ILE A 80 -1.600 -7.954 4.591 1.00 0.00 C ATOM 1166 O ILE A 80 -1.008 -8.961 4.979 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.805 -5.656 5.273 1.00 0.00 C ATOM 1168 CG1 ILE A 80 0.657 -6.158 5.324 1.00 0.00 C ATOM 1169 CG2 ILE A 80 -1.014 -4.456 6.208 1.00 0.00 C ATOM 1170 CD1 ILE A 80 1.695 -5.076 5.012 1.00 0.00 C ATOM 0 H ILE A 80 -1.072 -6.955 7.462 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.851 -6.387 5.297 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.972 -5.327 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.857 -6.565 6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.775 -6.977 4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.261 -3.696 5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.007 -4.037 6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.923 -4.782 7.244 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.696 -5.505 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.523 -4.685 4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.606 -4.267 5.737 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.938 -7.761 3.312 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.526 -8.623 2.186 1.00 0.00 C ATOM 1184 C VAL A 81 -0.937 -7.742 1.082 1.00 0.00 C ATOM 1185 O VAL A 81 -1.505 -6.686 0.779 1.00 0.00 O ATOM 1186 CB VAL A 81 -2.703 -9.489 1.683 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -2.406 -10.242 0.379 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.088 -10.535 2.736 1.00 0.00 C ATOM 0 H VAL A 81 -2.523 -6.979 3.017 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.760 -9.323 2.518 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.513 -8.784 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.279 -10.827 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.172 -9.526 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.556 -10.908 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.918 -11.136 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.233 -11.181 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.386 -10.032 3.656 1.00 0.00 H new ATOM 1198 N VAL A 82 0.198 -8.170 0.513 1.00 0.00 N ATOM 1199 CA VAL A 82 1.021 -7.447 -0.477 1.00 0.00 C ATOM 1200 C VAL A 82 1.166 -8.220 -1.800 1.00 0.00 C ATOM 1201 O VAL A 82 1.576 -9.384 -1.799 1.00 0.00 O ATOM 1202 CB VAL A 82 2.427 -7.109 0.055 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.385 -5.806 0.858 1.00 0.00 C ATOM 1204 CG2 VAL A 82 3.065 -8.219 0.899 1.00 0.00 C ATOM 0 H VAL A 82 0.593 -9.082 0.742 1.00 0.00 H new ATOM 0 HA VAL A 82 0.481 -6.519 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 82 3.059 -6.998 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.383 -5.575 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.040 -4.995 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.702 -5.919 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.052 -7.900 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.437 -8.424 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.160 -9.124 0.298 1.00 0.00 H new ATOM 1214 N ASN A 83 0.921 -7.561 -2.938 1.00 0.00 N ATOM 1215 CA ASN A 83 1.219 -8.079 -4.286 1.00 0.00 C ATOM 1216 C ASN A 83 1.386 -6.955 -5.325 1.00 0.00 C ATOM 1217 O ASN A 83 0.876 -5.853 -5.152 1.00 0.00 O ATOM 1218 CB ASN A 83 0.154 -9.104 -4.741 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.292 -8.621 -4.687 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -1.846 -8.329 -3.638 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.984 -8.589 -5.801 1.00 0.00 N ATOM 0 H ASN A 83 0.501 -6.632 -2.952 1.00 0.00 H new ATOM 0 HA ASN A 83 2.178 -8.592 -4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.379 -9.405 -5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.244 -9.995 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.969 -8.323 -5.782 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.537 -8.830 -6.686 1.00 0.00 H new ATOM 1228 N GLU A 84 2.099 -7.214 -6.421 1.00 0.00 N ATOM 1229 CA GLU A 84 2.370 -6.236 -7.490 1.00 0.00 C ATOM 1230 C GLU A 84 1.103 -5.662 -8.162 1.00 0.00 C ATOM 1231 O GLU A 84 0.066 -6.332 -8.207 1.00 0.00 O ATOM 1232 CB GLU A 84 3.303 -6.869 -8.539 1.00 0.00 C ATOM 1233 CG GLU A 84 2.740 -8.096 -9.289 1.00 0.00 C ATOM 1234 CD GLU A 84 1.721 -7.776 -10.396 1.00 0.00 C ATOM 1235 OE1 GLU A 84 1.799 -6.707 -11.046 1.00 0.00 O ATOM 1236 OE2 GLU A 84 0.803 -8.608 -10.607 1.00 0.00 O ATOM 0 H GLU A 84 2.516 -8.127 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 84 2.854 -5.382 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.563 -6.106 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.228 -7.163 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.572 -8.645 -9.731 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.269 -8.760 -8.564 1.00 0.00 H new ATOM 1243 N ALA A 85 1.176 -4.440 -8.712 1.00 0.00 N ATOM 1244 CA ALA A 85 0.063 -3.817 -9.452 1.00 0.00 C ATOM 1245 C ALA A 85 0.387 -3.453 -10.922 1.00 0.00 C ATOM 1246 O ALA A 85 -0.430 -2.827 -11.599 1.00 0.00 O ATOM 1247 CB ALA A 85 -0.461 -2.636 -8.626 1.00 0.00 C ATOM 0 H ALA A 85 2.009 -3.854 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.728 -4.558 -9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.286 -2.159 -9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.810 -2.995 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.340 -1.912 -8.477 1.00 0.00 H new ATOM 1253 N GLN A 86 1.538 -3.879 -11.457 1.00 0.00 N ATOM 1254 CA GLN A 86 1.917 -3.634 -12.858 1.00 0.00 C ATOM 1255 C GLN A 86 1.125 -4.500 -13.857 1.00 0.00 C ATOM 1256 O GLN A 86 0.966 -4.104 -15.014 1.00 0.00 O ATOM 1257 CB GLN A 86 3.444 -3.733 -13.045 1.00 0.00 C ATOM 1258 CG GLN A 86 4.102 -5.022 -12.520 1.00 0.00 C ATOM 1259 CD GLN A 86 5.609 -5.058 -12.773 1.00 0.00 C ATOM 1260 OE1 GLN A 86 6.127 -5.915 -13.479 1.00 0.00 O ATOM 1261 NE2 GLN A 86 6.365 -4.134 -12.221 1.00 0.00 N ATOM 0 H GLN A 86 2.236 -4.405 -10.931 1.00 0.00 H new ATOM 0 HA GLN A 86 1.633 -2.608 -13.094 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.667 -3.641 -14.108 1.00 0.00 H new ATOM 0 HB3 GLN A 86 3.908 -2.882 -12.547 1.00 0.00 H new ATOM 0 HG2 GLN A 86 3.915 -5.111 -11.450 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.636 -5.884 -12.998 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.944 -3.416 -11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.372 -4.136 -12.382 1.00 0.00 H new ATOM 1270 N SER A 87 0.545 -5.619 -13.407 1.00 0.00 N ATOM 1271 CA SER A 87 -0.479 -6.381 -14.146 1.00 0.00 C ATOM 1272 C SER A 87 -1.868 -5.711 -14.160 1.00 0.00 C ATOM 1273 O SER A 87 -2.699 -6.033 -15.017 1.00 0.00 O ATOM 1274 CB SER A 87 -0.603 -7.785 -13.543 1.00 0.00 C ATOM 1275 OG SER A 87 -1.057 -7.710 -12.203 1.00 0.00 O ATOM 0 H SER A 87 0.776 -6.031 -12.503 1.00 0.00 H new ATOM 0 HA SER A 87 -0.143 -6.422 -15.182 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.296 -8.382 -14.135 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.363 -8.289 -13.579 1.00 0.00 H new ATOM 0 HG SER A 87 -0.488 -8.269 -11.633 1.00 0.00 H new ATOM 1281 N ARG A 88 -2.134 -4.785 -13.224 1.00 0.00 N ATOM 1282 CA ARG A 88 -3.437 -4.118 -13.024 1.00 0.00 C ATOM 1283 C ARG A 88 -3.559 -2.801 -13.799 1.00 0.00 C ATOM 1284 O ARG A 88 -4.658 -2.458 -14.248 1.00 0.00 O ATOM 1285 CB ARG A 88 -3.675 -3.934 -11.512 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.167 -3.793 -11.157 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.427 -3.590 -9.656 1.00 0.00 C ATOM 1288 NE ARG A 88 -4.900 -4.701 -8.840 1.00 0.00 N ATOM 1289 CZ ARG A 88 -5.448 -5.279 -7.788 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -6.572 -4.904 -7.256 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -4.825 -6.284 -7.255 1.00 0.00 N ATOM 0 H ARG A 88 -1.426 -4.468 -12.562 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.220 -4.755 -13.435 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.258 -4.787 -10.976 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.139 -3.049 -11.169 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.584 -2.949 -11.707 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.697 -4.685 -11.491 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.968 -2.656 -9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.499 -3.494 -9.485 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.994 -5.070 -9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.087 -4.118 -7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.940 -5.396 -6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.941 -6.603 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.219 -6.755 -6.441 1.00 0.00 H new ATOM 1305 N GLY A 89 -2.449 -2.076 -13.962 1.00 0.00 N ATOM 1306 CA GLY A 89 -2.327 -0.905 -14.844 1.00 0.00 C ATOM 1307 C GLY A 89 -2.270 -1.260 -16.339 1.00 0.00 C ATOM 1308 O GLY A 89 -2.300 -2.436 -16.711 1.00 0.00 O ATOM 0 H GLY A 89 -1.582 -2.292 -13.470 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.173 -0.240 -14.670 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.427 -0.352 -14.576 1.00 0.00 H new ATOM 1312 N TYR A 90 -2.188 -0.240 -17.197 1.00 0.00 N ATOM 1313 CA TYR A 90 -2.166 -0.364 -18.662 1.00 0.00 C ATOM 1314 C TYR A 90 -0.928 -1.124 -19.187 1.00 0.00 C ATOM 1315 O TYR A 90 0.154 -1.050 -18.594 1.00 0.00 O ATOM 1316 CB TYR A 90 -2.263 1.052 -19.259 1.00 0.00 C ATOM 1317 CG TYR A 90 -2.213 1.120 -20.772 1.00 0.00 C ATOM 1318 CD1 TYR A 90 -3.384 0.901 -21.523 1.00 0.00 C ATOM 1319 CD2 TYR A 90 -0.994 1.380 -21.432 1.00 0.00 C ATOM 1320 CE1 TYR A 90 -3.329 0.902 -22.928 1.00 0.00 C ATOM 1321 CE2 TYR A 90 -0.935 1.372 -22.839 1.00 0.00 C ATOM 1322 CZ TYR A 90 -2.102 1.111 -23.589 1.00 0.00 C ATOM 1323 OH TYR A 90 -2.048 1.028 -24.942 1.00 0.00 O ATOM 0 H TYR A 90 -2.133 0.729 -16.883 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.018 -0.966 -18.978 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.194 1.508 -18.921 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.449 1.655 -18.857 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.325 0.732 -21.020 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.103 1.586 -20.857 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.230 0.742 -23.502 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.001 1.565 -23.343 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.131 1.199 -25.244 1.00 0.00 H new ATOM 1333 N GLY A 91 -1.065 -1.820 -20.318 1.00 0.00 N ATOM 1334 CA GLY A 91 0.021 -2.567 -20.972 1.00 0.00 C ATOM 1335 C GLY A 91 0.283 -3.952 -20.363 1.00 0.00 C ATOM 1336 O GLY A 91 0.001 -4.195 -19.183 1.00 0.00 O ATOM 0 H GLY A 91 -1.952 -1.884 -20.818 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.219 -2.686 -22.029 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.937 -1.978 -20.917 1.00 0.00 H new ATOM 1340 N GLY A 92 0.805 -4.882 -21.169 1.00 0.00 N ATOM 1341 CA GLY A 92 1.122 -6.263 -20.759 1.00 0.00 C ATOM 1342 C GLY A 92 1.219 -7.264 -21.898 1.00 0.00 C ATOM 1343 O GLY A 92 1.488 -8.448 -21.593 1.00 0.00 O ATOM 1344 OXT GLY A 92 0.996 -6.883 -23.070 1.00 0.00 O ATOM 0 H GLY A 92 1.026 -4.696 -22.147 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.068 -6.257 -20.218 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.358 -6.603 -20.060 1.00 0.00 H new TER 1348 GLY A 92