USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1044 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 69 SER OG : rot 86:sc= 0.08 USER MOD Set 1.2: A 147 SER OG : rot 180:sc= 0.0757 USER MOD Set 2.1: A 45 GLN : amide:sc= -8.37! C(o=-25!,f=-19!) USER MOD Set 2.2: A 47 ASN : amide:sc= -7.76! C(o=-25!,f=-27!) USER MOD Set 2.3: A 135 LYS NZ :NH3+ -157:sc= -8.92! (180deg=-7.21!) USER MOD Set 3.1: A 27 THR OG1 : rot 88:sc= -2.54! USER MOD Set 3.2: A 28 SER OG : rot 37:sc= -0.696! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -150:sc= -2.72! USER MOD Single : A 12 HIS : no HE2:sc= -3.95! C(o=-4!,f=-4.3!) USER MOD Single : A 13 THR OG1 : rot -61:sc= -1.14! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 75:sc= 0.0926 USER MOD Single : A 37 MET CE :methyl -142:sc= -0.617 (180deg=-1.35) USER MOD Single : A 55 TYR OH : rot -6:sc= -1.15 USER MOD Single : A 56 ASN : amide:sc= -8.82! C(o=-8.8!,f=-8.1!) USER MOD Single : A 65 SER OG : rot -120:sc= -1.2 USER MOD Single : A 66 TYR OH : rot 94:sc= 0.962 USER MOD Single : A 71 THR OG1 : rot 24:sc= -7.72! USER MOD Single : A 73 SER OG : rot 180:sc= -1 USER MOD Single : A 75 THR OG1 : rot -160:sc= -4.23! USER MOD Single : A 78 MET CE :methyl -153:sc= -0.0775 (180deg=-0.7) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 129:sc= -0.355! USER MOD Single : A 97 GLN : amide:sc= -26.3! C(o=-26!,f=-34!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 118:sc= 0.404! USER MOD Single : A 108 THR OG1 : rot -84:sc= 0.0751 USER MOD Single : A 111 TYR OH : rot -30:sc= -0.31 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 115 SER OG : rot -3:sc= -10.6! USER MOD Single : A 116 ASN : amide:sc= -4.36! C(o=-4.4!,f=-18!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 128 GLN : amide:sc= -1.21! C(o=-1.2!,f=-6!) USER MOD Single : A 132 HIS : no HD1:sc= -7.12! C(o=-7.1!,f=-8!) USER MOD Single : A 139 TYR OH : rot -172:sc= -4.78! USER MOD Single : A 144 SER OG : rot 180:sc= -1.3 USER MOD Single : A 145 GLN : amide:sc= -3.29! C(o=-3.3!,f=-5.3!) USER MOD Single : A 149 THR OG1 : rot -140:sc= -0.443! USER MOD Single : A 150 THR OG1 : rot 72:sc= 0.337! USER MOD Single : A 151 SER OG : rot 82:sc= 1.09 USER MOD Single : A 153 THR OG1 : rot 83:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -22.026 -8.687 -9.945 1.00 5.47 N ATOM 2 CA ALA A 1 -22.534 -8.974 -8.573 1.00 4.62 C ATOM 3 C ALA A 1 -21.961 -10.306 -8.085 1.00 3.84 C ATOM 4 O ALA A 1 -22.191 -11.344 -8.672 1.00 3.81 O ATOM 5 CB ALA A 1 -24.062 -9.056 -8.603 1.00 4.96 C ATOM 0 H1 ALA A 1 -22.415 -7.782 -10.277 1.00 5.47 H new ATOM 0 H2 ALA A 1 -20.988 -8.631 -9.926 1.00 5.47 H new ATOM 0 H3 ALA A 1 -22.320 -9.448 -10.590 1.00 5.47 H new ATOM 0 HA ALA A 1 -22.226 -8.177 -7.897 1.00 4.62 H new ATOM 0 HB1 ALA A 1 -24.435 -9.266 -7.600 1.00 4.96 H new ATOM 0 HB2 ALA A 1 -24.471 -8.107 -8.951 1.00 4.96 H new ATOM 0 HB3 ALA A 1 -24.370 -9.853 -9.279 1.00 4.96 H new ATOM 13 N SER A 2 -21.216 -10.284 -7.014 1.00 3.69 N ATOM 14 CA SER A 2 -20.629 -11.550 -6.489 1.00 3.44 C ATOM 15 C SER A 2 -20.086 -12.381 -7.654 1.00 3.37 C ATOM 16 O SER A 2 -20.718 -13.312 -8.112 1.00 3.78 O ATOM 17 CB SER A 2 -21.709 -12.346 -5.755 1.00 3.58 C ATOM 18 OG SER A 2 -22.574 -11.447 -5.074 1.00 4.53 O ATOM 0 H SER A 2 -20.988 -9.445 -6.480 1.00 3.69 H new ATOM 0 HA SER A 2 -19.818 -11.317 -5.799 1.00 3.44 H new ATOM 0 HB2 SER A 2 -22.277 -12.949 -6.463 1.00 3.58 H new ATOM 0 HB3 SER A 2 -21.250 -13.035 -5.046 1.00 3.58 H new ATOM 0 HG SER A 2 -23.268 -11.954 -4.604 1.00 4.53 H new ATOM 24 N LEU A 3 -18.918 -12.053 -8.135 1.00 3.17 N ATOM 25 CA LEU A 3 -18.336 -12.824 -9.269 1.00 3.67 C ATOM 26 C LEU A 3 -17.083 -13.561 -8.793 1.00 3.58 C ATOM 27 O LEU A 3 -16.274 -13.023 -8.065 1.00 3.18 O ATOM 28 CB LEU A 3 -17.965 -11.866 -10.402 1.00 4.18 C ATOM 29 CG LEU A 3 -18.359 -12.484 -11.744 1.00 4.41 C ATOM 30 CD1 LEU A 3 -19.862 -12.306 -11.967 1.00 4.28 C ATOM 31 CD2 LEU A 3 -17.593 -11.787 -12.870 1.00 5.14 C ATOM 0 H LEU A 3 -18.342 -11.284 -7.792 1.00 3.17 H new ATOM 0 HA LEU A 3 -19.068 -13.546 -9.631 1.00 3.67 H new ATOM 0 HB2 LEU A 3 -18.473 -10.911 -10.266 1.00 4.18 H new ATOM 0 HB3 LEU A 3 -16.894 -11.662 -10.384 1.00 4.18 H new ATOM 0 HG LEU A 3 -18.115 -13.546 -11.739 1.00 4.41 H new ATOM 0 HD11 LEU A 3 -20.143 -12.747 -12.924 1.00 4.28 H new ATOM 0 HD12 LEU A 3 -20.410 -12.801 -11.165 1.00 4.28 H new ATOM 0 HD13 LEU A 3 -20.106 -11.244 -11.971 1.00 4.28 H new ATOM 0 HD21 LEU A 3 -17.873 -12.227 -13.827 1.00 5.14 H new ATOM 0 HD22 LEU A 3 -17.838 -10.725 -12.873 1.00 5.14 H new ATOM 0 HD23 LEU A 3 -16.522 -11.912 -12.713 1.00 5.14 H new ATOM 43 N ASP A 4 -16.916 -14.791 -9.200 1.00 4.10 N ATOM 44 CA ASP A 4 -15.715 -15.561 -8.770 1.00 4.15 C ATOM 45 C ASP A 4 -14.550 -15.255 -9.714 1.00 4.06 C ATOM 46 O ASP A 4 -13.618 -16.027 -9.836 1.00 4.24 O ATOM 47 CB ASP A 4 -16.026 -17.057 -8.813 1.00 4.43 C ATOM 48 CG ASP A 4 -16.582 -17.502 -7.458 1.00 4.67 C ATOM 49 OD1 ASP A 4 -17.784 -17.406 -7.273 1.00 5.38 O ATOM 50 OD2 ASP A 4 -15.796 -17.931 -6.629 1.00 4.56 O ATOM 0 H ASP A 4 -17.559 -15.295 -9.811 1.00 4.10 H new ATOM 0 HA ASP A 4 -15.445 -15.276 -7.753 1.00 4.15 H new ATOM 0 HB2 ASP A 4 -16.749 -17.266 -9.601 1.00 4.43 H new ATOM 0 HB3 ASP A 4 -15.124 -17.620 -9.050 1.00 4.43 H new ATOM 55 N SER A 5 -14.593 -14.135 -10.383 1.00 4.08 N ATOM 56 CA SER A 5 -13.488 -13.783 -11.317 1.00 4.12 C ATOM 57 C SER A 5 -12.541 -12.791 -10.638 1.00 3.56 C ATOM 58 O SER A 5 -12.508 -12.680 -9.428 1.00 3.58 O ATOM 59 CB SER A 5 -14.072 -13.147 -12.580 1.00 4.48 C ATOM 60 OG SER A 5 -15.410 -13.588 -12.752 1.00 4.83 O ATOM 0 H SER A 5 -15.346 -13.449 -10.323 1.00 4.08 H new ATOM 0 HA SER A 5 -12.938 -14.685 -11.584 1.00 4.12 H new ATOM 0 HB2 SER A 5 -14.043 -12.060 -12.501 1.00 4.48 H new ATOM 0 HB3 SER A 5 -13.473 -13.420 -13.449 1.00 4.48 H new ATOM 0 HG SER A 5 -15.628 -13.607 -13.707 1.00 4.83 H new ATOM 66 N GLU A 6 -11.772 -12.069 -11.405 1.00 3.17 N ATOM 67 CA GLU A 6 -10.829 -11.086 -10.802 1.00 2.69 C ATOM 68 C GLU A 6 -11.190 -9.676 -11.274 1.00 2.55 C ATOM 69 O GLU A 6 -10.515 -9.096 -12.102 1.00 2.92 O ATOM 70 CB GLU A 6 -9.399 -11.418 -11.234 1.00 2.41 C ATOM 71 CG GLU A 6 -8.886 -12.613 -10.429 1.00 2.59 C ATOM 72 CD GLU A 6 -7.546 -13.078 -11.001 1.00 2.91 C ATOM 73 OE1 GLU A 6 -7.456 -13.214 -12.210 1.00 2.94 O ATOM 74 OE2 GLU A 6 -6.632 -13.289 -10.221 1.00 3.43 O ATOM 0 H GLU A 6 -11.756 -12.117 -12.424 1.00 3.17 H new ATOM 0 HA GLU A 6 -10.901 -11.135 -9.715 1.00 2.69 H new ATOM 0 HB2 GLU A 6 -9.374 -11.646 -12.300 1.00 2.41 H new ATOM 0 HB3 GLU A 6 -8.751 -10.556 -11.077 1.00 2.41 H new ATOM 0 HG2 GLU A 6 -8.769 -12.336 -9.381 1.00 2.59 H new ATOM 0 HG3 GLU A 6 -9.610 -13.427 -10.465 1.00 2.59 H new ATOM 81 N VAL A 7 -12.251 -9.120 -10.755 1.00 2.11 N ATOM 82 CA VAL A 7 -12.653 -7.748 -11.174 1.00 2.12 C ATOM 83 C VAL A 7 -11.403 -6.897 -11.403 1.00 2.11 C ATOM 84 O VAL A 7 -10.851 -6.325 -10.482 1.00 2.83 O ATOM 85 CB VAL A 7 -13.510 -7.110 -10.079 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.236 -5.889 -10.644 1.00 2.17 C ATOM 87 CG2 VAL A 7 -14.539 -8.128 -9.581 1.00 2.42 C ATOM 0 H VAL A 7 -12.856 -9.557 -10.060 1.00 2.11 H new ATOM 0 HA VAL A 7 -13.228 -7.805 -12.098 1.00 2.12 H new ATOM 0 HB VAL A 7 -12.871 -6.801 -9.252 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -14.846 -5.435 -9.863 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -13.505 -5.164 -11.001 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -14.875 -6.197 -11.472 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.151 -7.675 -8.801 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -15.177 -8.435 -10.410 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -14.023 -8.999 -9.178 1.00 2.42 H new ATOM 97 N GLU A 8 -10.948 -6.808 -12.623 1.00 1.96 N ATOM 98 CA GLU A 8 -9.733 -5.995 -12.909 1.00 2.32 C ATOM 99 C GLU A 8 -10.136 -4.535 -13.127 1.00 2.30 C ATOM 100 O GLU A 8 -10.298 -4.086 -14.244 1.00 2.59 O ATOM 101 CB GLU A 8 -9.047 -6.528 -14.169 1.00 3.06 C ATOM 102 CG GLU A 8 -7.530 -6.498 -13.976 1.00 3.55 C ATOM 103 CD GLU A 8 -6.856 -7.282 -15.104 1.00 4.20 C ATOM 104 OE1 GLU A 8 -7.014 -8.491 -15.133 1.00 4.75 O ATOM 105 OE2 GLU A 8 -6.194 -6.660 -15.918 1.00 4.42 O ATOM 0 H GLU A 8 -11.366 -7.264 -13.434 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.046 -6.060 -12.066 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -9.378 -7.546 -14.373 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.326 -5.923 -15.032 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -7.174 -5.468 -13.972 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.267 -6.930 -13.011 1.00 3.55 H new ATOM 112 N LEU A 9 -10.300 -3.790 -12.068 1.00 2.76 N ATOM 113 CA LEU A 9 -10.691 -2.360 -12.215 1.00 3.48 C ATOM 114 C LEU A 9 -9.601 -1.611 -12.983 1.00 3.43 C ATOM 115 O LEU A 9 -9.873 -0.689 -13.726 1.00 4.12 O ATOM 116 CB LEU A 9 -10.859 -1.737 -10.827 1.00 3.72 C ATOM 117 CG LEU A 9 -12.307 -1.906 -10.365 1.00 4.22 C ATOM 118 CD1 LEU A 9 -12.331 -2.217 -8.867 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.079 -0.611 -10.627 1.00 3.49 C ATOM 0 H LEU A 9 -10.180 -4.110 -11.107 1.00 2.76 H new ATOM 0 HA LEU A 9 -11.631 -2.291 -12.762 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.182 -2.214 -10.118 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -10.597 -0.680 -10.857 1.00 3.72 H new ATOM 0 HG LEU A 9 -12.771 -2.725 -10.915 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -13.363 -2.338 -8.537 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -11.779 -3.138 -8.678 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -11.868 -1.397 -8.318 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.111 -0.730 -10.298 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -12.615 0.207 -10.076 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.062 -0.386 -11.693 1.00 3.49 H new ATOM 131 N LEU A 10 -8.367 -2.001 -12.812 1.00 2.81 N ATOM 132 CA LEU A 10 -7.259 -1.314 -13.533 1.00 2.72 C ATOM 133 C LEU A 10 -6.715 -2.258 -14.608 1.00 2.86 C ATOM 134 O LEU A 10 -5.888 -3.105 -14.334 1.00 2.83 O ATOM 135 CB LEU A 10 -6.150 -0.973 -12.528 1.00 2.41 C ATOM 136 CG LEU A 10 -5.040 -0.102 -13.142 1.00 2.12 C ATOM 137 CD1 LEU A 10 -3.841 -0.982 -13.495 1.00 1.99 C ATOM 138 CD2 LEU A 10 -5.519 0.631 -14.401 1.00 2.07 C ATOM 0 H LEU A 10 -8.079 -2.767 -12.203 1.00 2.81 H new ATOM 0 HA LEU A 10 -7.617 -0.397 -14.001 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -6.586 -0.452 -11.675 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -5.713 -1.896 -12.148 1.00 2.41 H new ATOM 0 HG LEU A 10 -4.758 0.649 -12.404 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -3.054 -0.367 -13.930 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -3.467 -1.466 -12.593 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.147 -1.742 -14.214 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -4.705 1.234 -14.803 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -5.834 -0.097 -15.148 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -6.359 1.278 -14.148 1.00 2.07 H new ATOM 150 N PRO A 11 -7.177 -2.119 -15.822 1.00 3.10 N ATOM 151 CA PRO A 11 -6.726 -2.980 -16.948 1.00 3.32 C ATOM 152 C PRO A 11 -5.341 -2.572 -17.452 1.00 2.96 C ATOM 153 O PRO A 11 -4.998 -2.781 -18.599 1.00 3.09 O ATOM 154 CB PRO A 11 -7.784 -2.758 -18.028 1.00 3.83 C ATOM 155 CG PRO A 11 -8.376 -1.414 -17.748 1.00 3.73 C ATOM 156 CD PRO A 11 -8.176 -1.128 -16.257 1.00 3.29 C ATOM 0 HA PRO A 11 -6.631 -4.025 -16.653 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.340 -2.790 -19.023 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.547 -3.536 -17.994 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -7.893 -0.648 -18.354 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -9.436 -1.401 -18.003 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -7.823 -0.110 -16.092 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.109 -1.236 -15.704 1.00 3.29 H new ATOM 164 N HIS A 12 -4.541 -1.992 -16.599 1.00 2.52 N ATOM 165 CA HIS A 12 -3.178 -1.571 -17.026 1.00 2.16 C ATOM 166 C HIS A 12 -2.142 -2.125 -16.045 1.00 1.83 C ATOM 167 O HIS A 12 -1.591 -1.405 -15.237 1.00 1.69 O ATOM 168 CB HIS A 12 -3.097 -0.044 -17.049 1.00 2.13 C ATOM 169 CG HIS A 12 -1.888 0.382 -17.838 1.00 1.93 C ATOM 170 ND1 HIS A 12 -1.837 0.289 -19.219 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.676 0.900 -17.452 1.00 1.81 C ATOM 172 CE1 HIS A 12 -0.633 0.742 -19.612 1.00 1.94 C ATOM 173 NE2 HIS A 12 0.114 1.127 -18.575 1.00 1.82 N ATOM 0 H HIS A 12 -4.773 -1.792 -15.626 1.00 2.52 H new ATOM 0 HA HIS A 12 -2.975 -1.958 -18.025 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.001 0.372 -17.495 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.036 0.343 -16.032 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -2.578 -0.060 -19.827 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -0.381 1.101 -16.433 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -0.310 0.789 -20.642 1.00 1.94 H new ATOM 181 N THR A 13 -1.875 -3.400 -16.111 1.00 1.82 N ATOM 182 CA THR A 13 -0.876 -4.003 -15.185 1.00 1.56 C ATOM 183 C THR A 13 0.343 -4.465 -15.983 1.00 1.39 C ATOM 184 O THR A 13 0.886 -5.526 -15.747 1.00 1.58 O ATOM 185 CB THR A 13 -1.504 -5.202 -14.471 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.561 -5.760 -13.568 1.00 1.59 O ATOM 187 CG2 THR A 13 -1.912 -6.256 -15.502 1.00 1.97 C ATOM 0 H THR A 13 -2.306 -4.051 -16.767 1.00 1.82 H new ATOM 0 HA THR A 13 -0.567 -3.262 -14.448 1.00 1.56 H new ATOM 0 HB THR A 13 -2.386 -4.876 -13.920 1.00 1.72 H new ATOM 0 HG1 THR A 13 0.224 -6.070 -14.065 1.00 1.59 H new ATOM 0 HG21 THR A 13 -2.359 -7.110 -14.992 1.00 1.97 H new ATOM 0 HG22 THR A 13 -2.636 -5.827 -16.194 1.00 1.97 H new ATOM 0 HG23 THR A 13 -1.032 -6.584 -16.055 1.00 1.97 H new ATOM 195 N SER A 14 0.777 -3.679 -16.930 1.00 1.20 N ATOM 196 CA SER A 14 1.960 -4.078 -17.744 1.00 1.07 C ATOM 197 C SER A 14 3.106 -3.092 -17.505 1.00 1.04 C ATOM 198 O SER A 14 3.592 -2.459 -18.420 1.00 1.10 O ATOM 199 CB SER A 14 1.583 -4.071 -19.226 1.00 1.14 C ATOM 200 OG SER A 14 2.544 -4.821 -19.958 1.00 1.96 O ATOM 0 H SER A 14 0.364 -2.779 -17.175 1.00 1.20 H new ATOM 0 HA SER A 14 2.278 -5.079 -17.453 1.00 1.07 H new ATOM 0 HB2 SER A 14 0.590 -4.499 -19.363 1.00 1.14 H new ATOM 0 HB3 SER A 14 1.543 -3.047 -19.598 1.00 1.14 H new ATOM 0 HG SER A 14 2.305 -4.820 -20.908 1.00 1.96 H new ATOM 206 N PHE A 15 3.546 -2.961 -16.283 1.00 1.01 N ATOM 207 CA PHE A 15 4.665 -2.021 -15.993 1.00 1.00 C ATOM 208 C PHE A 15 5.936 -2.521 -16.683 1.00 1.00 C ATOM 209 O PHE A 15 7.033 -2.106 -16.366 1.00 0.98 O ATOM 210 CB PHE A 15 4.900 -1.958 -14.481 1.00 0.98 C ATOM 211 CG PHE A 15 3.960 -0.953 -13.859 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.698 -0.730 -14.424 1.00 1.11 C ATOM 213 CD2 PHE A 15 4.348 -0.247 -12.714 1.00 1.74 C ATOM 214 CE1 PHE A 15 1.826 0.199 -13.844 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.476 0.683 -12.134 1.00 1.76 C ATOM 216 CZ PHE A 15 2.215 0.906 -12.700 1.00 0.95 C ATOM 0 H PHE A 15 3.179 -3.463 -15.475 1.00 1.01 H new ATOM 0 HA PHE A 15 4.412 -1.027 -16.363 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.741 -2.941 -14.038 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.933 -1.679 -14.276 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.398 -1.275 -15.307 1.00 1.11 H new ATOM 0 HD2 PHE A 15 5.321 -0.420 -12.278 1.00 1.74 H new ATOM 0 HE1 PHE A 15 0.853 0.370 -14.279 1.00 1.14 H new ATOM 0 HE2 PHE A 15 3.776 1.228 -11.251 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.542 1.624 -12.254 1.00 0.95 H new ATOM 226 N ALA A 16 5.797 -3.418 -17.622 1.00 1.06 N ATOM 227 CA ALA A 16 6.994 -3.954 -18.330 1.00 1.09 C ATOM 228 C ALA A 16 7.298 -3.095 -19.561 1.00 1.10 C ATOM 229 O ALA A 16 8.407 -3.077 -20.056 1.00 1.18 O ATOM 230 CB ALA A 16 6.720 -5.393 -18.771 1.00 1.14 C ATOM 0 H ALA A 16 4.904 -3.803 -17.929 1.00 1.06 H new ATOM 0 HA ALA A 16 7.850 -3.932 -17.656 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.594 -5.787 -19.289 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.509 -6.008 -17.896 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.862 -5.411 -19.442 1.00 1.14 H new ATOM 236 N GLU A 17 6.323 -2.388 -20.063 1.00 1.15 N ATOM 237 CA GLU A 17 6.563 -1.540 -21.263 1.00 1.19 C ATOM 238 C GLU A 17 6.520 -0.064 -20.866 1.00 1.29 C ATOM 239 O GLU A 17 7.538 0.551 -20.613 1.00 1.41 O ATOM 240 CB GLU A 17 5.475 -1.820 -22.300 1.00 1.32 C ATOM 241 CG GLU A 17 5.929 -2.950 -23.228 1.00 1.41 C ATOM 242 CD GLU A 17 4.714 -3.543 -23.943 1.00 1.67 C ATOM 243 OE1 GLU A 17 3.730 -3.813 -23.274 1.00 2.13 O ATOM 244 OE2 GLU A 17 4.788 -3.718 -25.148 1.00 1.96 O ATOM 0 H GLU A 17 5.372 -2.361 -19.694 1.00 1.15 H new ATOM 0 HA GLU A 17 7.542 -1.771 -21.684 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.546 -2.096 -21.802 1.00 1.32 H new ATOM 0 HB3 GLU A 17 5.270 -0.920 -22.880 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.644 -2.570 -23.958 1.00 1.41 H new ATOM 0 HG3 GLU A 17 6.440 -3.723 -22.654 1.00 1.41 H new ATOM 251 N SER A 18 5.352 0.511 -20.810 1.00 1.41 N ATOM 252 CA SER A 18 5.245 1.948 -20.431 1.00 1.64 C ATOM 253 C SER A 18 4.630 2.062 -19.035 1.00 1.51 C ATOM 254 O SER A 18 3.896 1.198 -18.598 1.00 1.30 O ATOM 255 CB SER A 18 4.359 2.679 -21.440 1.00 2.02 C ATOM 256 OG SER A 18 4.925 2.554 -22.739 1.00 2.26 O ATOM 0 H SER A 18 4.465 0.048 -21.010 1.00 1.41 H new ATOM 0 HA SER A 18 6.238 2.397 -20.429 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.352 2.261 -21.427 1.00 2.02 H new ATOM 0 HB3 SER A 18 4.271 3.731 -21.169 1.00 2.02 H new ATOM 0 HG SER A 18 4.359 3.020 -23.389 1.00 2.26 H new ATOM 262 N LEU A 19 4.923 3.121 -18.333 1.00 1.67 N ATOM 263 CA LEU A 19 4.355 3.288 -16.965 1.00 1.59 C ATOM 264 C LEU A 19 2.828 3.228 -17.034 1.00 1.72 C ATOM 265 O LEU A 19 2.197 2.449 -16.349 1.00 2.45 O ATOM 266 CB LEU A 19 4.787 4.641 -16.397 1.00 1.61 C ATOM 267 CG LEU A 19 5.925 4.433 -15.397 1.00 1.71 C ATOM 268 CD1 LEU A 19 6.672 5.752 -15.192 1.00 2.60 C ATOM 269 CD2 LEU A 19 5.347 3.961 -14.061 1.00 1.37 C ATOM 0 H LEU A 19 5.531 3.878 -18.647 1.00 1.67 H new ATOM 0 HA LEU A 19 4.720 2.489 -16.320 1.00 1.59 H new ATOM 0 HB2 LEU A 19 5.112 5.299 -17.203 1.00 1.61 H new ATOM 0 HB3 LEU A 19 3.943 5.129 -15.908 1.00 1.61 H new ATOM 0 HG LEU A 19 6.615 3.682 -15.781 1.00 1.71 H new ATOM 0 HD11 LEU A 19 7.483 5.604 -14.479 1.00 2.60 H new ATOM 0 HD12 LEU A 19 7.082 6.089 -16.144 1.00 2.60 H new ATOM 0 HD13 LEU A 19 5.983 6.504 -14.807 1.00 2.60 H new ATOM 0 HD21 LEU A 19 6.157 3.812 -13.347 1.00 1.37 H new ATOM 0 HD22 LEU A 19 4.658 4.713 -13.677 1.00 1.37 H new ATOM 0 HD23 LEU A 19 4.814 3.021 -14.207 1.00 1.37 H new ATOM 281 N GLY A 20 2.228 4.045 -17.857 1.00 1.44 N ATOM 282 CA GLY A 20 0.742 4.032 -17.967 1.00 1.58 C ATOM 283 C GLY A 20 0.164 5.231 -17.213 1.00 1.59 C ATOM 284 O GLY A 20 0.781 6.273 -17.123 1.00 1.62 O ATOM 0 H GLY A 20 2.702 4.720 -18.457 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.444 4.070 -19.015 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.344 3.104 -17.556 1.00 1.58 H new ATOM 288 N PRO A 21 -1.019 5.082 -16.677 1.00 1.60 N ATOM 289 CA PRO A 21 -1.701 6.165 -15.918 1.00 1.60 C ATOM 290 C PRO A 21 -1.178 6.286 -14.484 1.00 1.43 C ATOM 291 O PRO A 21 -1.212 7.345 -13.890 1.00 1.67 O ATOM 292 CB PRO A 21 -3.168 5.737 -15.922 1.00 1.68 C ATOM 293 CG PRO A 21 -3.158 4.249 -16.066 1.00 1.70 C ATOM 294 CD PRO A 21 -1.835 3.859 -16.737 1.00 1.63 C ATOM 0 HA PRO A 21 -1.532 7.145 -16.365 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.665 6.037 -15.000 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.710 6.206 -16.744 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.250 3.769 -15.092 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.005 3.916 -16.666 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.352 3.033 -16.214 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -1.992 3.536 -17.766 1.00 1.63 H new ATOM 302 N TRP A 22 -0.690 5.213 -13.925 1.00 1.30 N ATOM 303 CA TRP A 22 -0.163 5.274 -12.533 1.00 1.15 C ATOM 304 C TRP A 22 0.846 6.420 -12.425 1.00 1.24 C ATOM 305 O TRP A 22 1.277 6.972 -13.418 1.00 1.48 O ATOM 306 CB TRP A 22 0.522 3.950 -12.185 1.00 1.19 C ATOM 307 CG TRP A 22 -0.515 2.902 -11.936 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.499 2.562 -12.802 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.694 2.055 -10.763 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.268 1.562 -12.236 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.812 1.215 -10.979 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.002 1.934 -9.544 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.229 0.288 -10.021 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.418 1.005 -8.578 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.529 0.183 -8.815 1.00 2.39 C ATOM 0 H TRP A 22 -0.633 4.298 -14.372 1.00 1.30 H new ATOM 0 HA TRP A 22 -0.985 5.446 -11.838 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.177 3.642 -13.000 1.00 1.19 H new ATOM 0 HB3 TRP A 22 1.149 4.074 -11.302 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.657 3.001 -13.776 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.074 1.133 -12.691 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.856 2.561 -9.350 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.085 -0.343 -10.210 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 0.121 0.923 -7.646 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -1.844 -0.530 -8.067 1.00 2.39 H new ATOM 326 N SER A 23 1.226 6.784 -11.232 1.00 1.20 N ATOM 327 CA SER A 23 2.205 7.897 -11.071 1.00 1.36 C ATOM 328 C SER A 23 3.311 7.474 -10.103 1.00 1.28 C ATOM 329 O SER A 23 3.303 6.380 -9.577 1.00 1.33 O ATOM 330 CB SER A 23 1.488 9.129 -10.519 1.00 1.45 C ATOM 331 OG SER A 23 0.909 9.857 -11.593 1.00 1.64 O ATOM 0 H SER A 23 0.902 6.360 -10.363 1.00 1.20 H new ATOM 0 HA SER A 23 2.645 8.134 -12.040 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.716 8.828 -9.811 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.191 9.759 -9.975 1.00 1.45 H new ATOM 0 HG SER A 23 0.447 10.647 -11.242 1.00 1.64 H new ATOM 337 N LEU A 24 4.262 8.336 -9.864 1.00 1.31 N ATOM 338 CA LEU A 24 5.369 7.987 -8.930 1.00 1.25 C ATOM 339 C LEU A 24 6.350 9.157 -8.841 1.00 1.30 C ATOM 340 O LEU A 24 6.484 9.935 -9.765 1.00 1.47 O ATOM 341 CB LEU A 24 6.107 6.753 -9.451 1.00 1.40 C ATOM 342 CG LEU A 24 6.541 6.996 -10.897 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.976 7.524 -10.921 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.468 5.680 -11.673 1.00 2.05 C ATOM 0 H LEU A 24 4.320 9.267 -10.276 1.00 1.31 H new ATOM 0 HA LEU A 24 4.956 7.778 -7.943 1.00 1.25 H new ATOM 0 HB2 LEU A 24 6.977 6.546 -8.828 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.460 5.878 -9.396 1.00 1.40 H new ATOM 0 HG LEU A 24 5.880 7.730 -11.357 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.283 7.696 -11.953 1.00 2.02 H new ATOM 0 HD12 LEU A 24 8.029 8.460 -10.365 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.641 6.792 -10.462 1.00 2.02 H new ATOM 0 HD21 LEU A 24 6.777 5.848 -12.705 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.130 4.948 -11.211 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.445 5.304 -11.657 1.00 2.05 H new ATOM 356 N TYR A 25 7.040 9.284 -7.740 1.00 1.23 N ATOM 357 CA TYR A 25 8.016 10.402 -7.596 1.00 1.38 C ATOM 358 C TYR A 25 8.703 10.309 -6.231 1.00 1.34 C ATOM 359 O TYR A 25 8.145 9.801 -5.279 1.00 1.42 O ATOM 360 CB TYR A 25 7.281 11.742 -7.701 1.00 1.72 C ATOM 361 CG TYR A 25 6.704 12.109 -6.354 1.00 1.09 C ATOM 362 CD1 TYR A 25 5.933 11.179 -5.646 1.00 1.22 C ATOM 363 CD2 TYR A 25 6.941 13.379 -5.814 1.00 1.62 C ATOM 364 CE1 TYR A 25 5.399 11.519 -4.398 1.00 1.27 C ATOM 365 CE2 TYR A 25 6.406 13.719 -4.566 1.00 1.57 C ATOM 366 CZ TYR A 25 5.635 12.790 -3.858 1.00 1.08 C ATOM 367 OH TYR A 25 5.107 13.125 -2.628 1.00 1.63 O ATOM 0 H TYR A 25 6.970 8.662 -6.934 1.00 1.23 H new ATOM 0 HA TYR A 25 8.763 10.332 -8.387 1.00 1.38 H new ATOM 0 HB2 TYR A 25 7.967 12.519 -8.038 1.00 1.72 H new ATOM 0 HB3 TYR A 25 6.485 11.675 -8.443 1.00 1.72 H new ATOM 0 HD1 TYR A 25 5.751 10.200 -6.063 1.00 1.22 H new ATOM 0 HD2 TYR A 25 7.536 14.096 -6.360 1.00 1.62 H new ATOM 0 HE1 TYR A 25 4.805 10.802 -3.851 1.00 1.27 H new ATOM 0 HE2 TYR A 25 6.588 14.699 -4.149 1.00 1.57 H new ATOM 0 HH TYR A 25 5.618 12.679 -1.920 1.00 1.63 H new ATOM 377 N GLY A 26 9.904 10.809 -6.128 1.00 1.33 N ATOM 378 CA GLY A 26 10.619 10.763 -4.820 1.00 1.32 C ATOM 379 C GLY A 26 11.828 9.826 -4.904 1.00 1.25 C ATOM 380 O GLY A 26 12.773 9.963 -4.154 1.00 1.70 O ATOM 0 H GLY A 26 10.421 11.247 -6.891 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.946 11.765 -4.542 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.940 10.421 -4.039 1.00 1.32 H new ATOM 384 N THR A 27 11.816 8.876 -5.799 1.00 0.93 N ATOM 385 CA THR A 27 12.982 7.950 -5.896 1.00 0.90 C ATOM 386 C THR A 27 13.753 8.229 -7.190 1.00 0.92 C ATOM 387 O THR A 27 13.860 9.356 -7.631 1.00 0.97 O ATOM 388 CB THR A 27 12.468 6.501 -5.882 1.00 0.88 C ATOM 389 OG1 THR A 27 13.199 5.703 -6.801 1.00 0.73 O ATOM 390 CG2 THR A 27 10.987 6.479 -6.262 1.00 0.95 C ATOM 0 H THR A 27 11.059 8.701 -6.460 1.00 0.93 H new ATOM 0 HA THR A 27 13.653 8.103 -5.051 1.00 0.90 H new ATOM 0 HB THR A 27 12.600 6.095 -4.879 1.00 0.88 H new ATOM 0 HG1 THR A 27 13.993 5.337 -6.358 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.624 5.451 -6.252 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.419 7.072 -5.545 1.00 0.95 H new ATOM 0 HG23 THR A 27 10.861 6.898 -7.260 1.00 0.95 H new ATOM 398 N SER A 28 14.281 7.210 -7.805 1.00 1.12 N ATOM 399 CA SER A 28 15.036 7.402 -9.075 1.00 1.40 C ATOM 400 C SER A 28 14.087 7.220 -10.259 1.00 1.29 C ATOM 401 O SER A 28 13.306 6.291 -10.299 1.00 0.98 O ATOM 402 CB SER A 28 16.162 6.369 -9.159 1.00 1.80 C ATOM 403 OG SER A 28 15.657 5.094 -8.790 1.00 1.73 O ATOM 0 H SER A 28 14.222 6.245 -7.481 1.00 1.12 H new ATOM 0 HA SER A 28 15.462 8.405 -9.100 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.565 6.334 -10.171 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.982 6.653 -8.499 1.00 1.80 H new ATOM 0 HG SER A 28 14.740 4.997 -9.122 1.00 1.73 H new ATOM 409 N GLU A 29 14.151 8.086 -11.233 1.00 1.62 N ATOM 410 CA GLU A 29 13.252 7.931 -12.409 1.00 1.60 C ATOM 411 C GLU A 29 13.186 6.446 -12.781 1.00 1.23 C ATOM 412 O GLU A 29 14.117 5.907 -13.347 1.00 1.37 O ATOM 413 CB GLU A 29 13.813 8.728 -13.588 1.00 2.07 C ATOM 414 CG GLU A 29 15.338 8.602 -13.611 1.00 1.86 C ATOM 415 CD GLU A 29 15.840 8.720 -15.051 1.00 1.99 C ATOM 416 OE1 GLU A 29 15.613 9.756 -15.653 1.00 2.40 O ATOM 417 OE2 GLU A 29 16.441 7.771 -15.527 1.00 2.35 O ATOM 0 H GLU A 29 14.781 8.887 -11.265 1.00 1.62 H new ATOM 0 HA GLU A 29 12.255 8.301 -12.169 1.00 1.60 H new ATOM 0 HB2 GLU A 29 13.393 8.358 -14.523 1.00 2.07 H new ATOM 0 HB3 GLU A 29 13.525 9.776 -13.502 1.00 2.07 H new ATOM 0 HG2 GLU A 29 15.787 9.380 -12.994 1.00 1.86 H new ATOM 0 HG3 GLU A 29 15.641 7.645 -13.187 1.00 1.86 H new ATOM 424 N PRO A 30 12.107 5.781 -12.457 1.00 0.95 N ATOM 425 CA PRO A 30 11.948 4.330 -12.759 1.00 0.81 C ATOM 426 C PRO A 30 12.345 4.002 -14.199 1.00 0.80 C ATOM 427 O PRO A 30 12.498 4.880 -15.024 1.00 0.86 O ATOM 428 CB PRO A 30 10.458 4.066 -12.546 1.00 0.94 C ATOM 429 CG PRO A 30 9.979 5.137 -11.621 1.00 1.13 C ATOM 430 CD PRO A 30 10.923 6.332 -11.778 1.00 1.10 C ATOM 0 HA PRO A 30 12.588 3.713 -12.128 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.917 4.096 -13.492 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.294 3.078 -12.117 1.00 0.94 H new ATOM 0 HG2 PRO A 30 8.955 5.422 -11.862 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.977 4.782 -10.590 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.463 7.127 -12.365 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.184 6.761 -10.811 1.00 1.10 H new ATOM 438 N VAL A 31 12.515 2.747 -14.512 1.00 0.80 N ATOM 439 CA VAL A 31 12.905 2.385 -15.906 1.00 0.82 C ATOM 440 C VAL A 31 12.375 0.993 -16.258 1.00 0.78 C ATOM 441 O VAL A 31 12.700 0.014 -15.616 1.00 0.84 O ATOM 442 CB VAL A 31 14.429 2.392 -16.024 1.00 0.92 C ATOM 443 CG1 VAL A 31 14.846 1.651 -17.296 1.00 0.99 C ATOM 444 CG2 VAL A 31 14.927 3.837 -16.091 1.00 1.05 C ATOM 0 H VAL A 31 12.402 1.962 -13.870 1.00 0.80 H new ATOM 0 HA VAL A 31 12.477 3.113 -16.595 1.00 0.82 H new ATOM 0 HB VAL A 31 14.863 1.896 -15.156 1.00 0.92 H new ATOM 0 HG11 VAL A 31 15.933 1.656 -17.380 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.490 0.622 -17.251 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.413 2.147 -18.165 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.014 3.844 -16.175 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.493 4.332 -16.960 1.00 1.05 H new ATOM 0 HG23 VAL A 31 14.630 4.367 -15.186 1.00 1.05 H new ATOM 454 N PHE A 32 11.570 0.897 -17.284 1.00 0.74 N ATOM 455 CA PHE A 32 11.031 -0.432 -17.690 1.00 0.77 C ATOM 456 C PHE A 32 12.121 -1.220 -18.416 1.00 0.87 C ATOM 457 O PHE A 32 12.300 -1.099 -19.611 1.00 1.19 O ATOM 458 CB PHE A 32 9.823 -0.243 -18.614 1.00 0.78 C ATOM 459 CG PHE A 32 9.952 1.054 -19.377 1.00 0.93 C ATOM 460 CD1 PHE A 32 10.680 1.099 -20.573 1.00 1.50 C ATOM 461 CD2 PHE A 32 9.336 2.212 -18.889 1.00 1.63 C ATOM 462 CE1 PHE A 32 10.793 2.303 -21.278 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.447 3.416 -19.595 1.00 1.82 C ATOM 464 CZ PHE A 32 10.176 3.461 -20.789 1.00 1.56 C ATOM 0 H PHE A 32 11.263 1.683 -17.858 1.00 0.74 H new ATOM 0 HA PHE A 32 10.716 -0.982 -16.803 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.754 -1.079 -19.311 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.904 -0.240 -18.028 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.154 0.205 -20.951 1.00 1.50 H new ATOM 0 HD2 PHE A 32 8.775 2.177 -17.967 1.00 1.63 H new ATOM 0 HE1 PHE A 32 11.356 2.339 -22.199 1.00 1.78 H new ATOM 0 HE2 PHE A 32 8.971 4.309 -19.219 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.263 4.390 -21.334 1.00 1.56 H new ATOM 474 N ALA A 33 12.857 -2.023 -17.699 1.00 0.77 N ATOM 475 CA ALA A 33 13.941 -2.816 -18.345 1.00 0.84 C ATOM 476 C ALA A 33 13.351 -3.665 -19.473 1.00 0.67 C ATOM 477 O ALA A 33 12.488 -3.227 -20.208 1.00 0.92 O ATOM 478 CB ALA A 33 14.592 -3.732 -17.306 1.00 1.17 C ATOM 0 H ALA A 33 12.755 -2.165 -16.694 1.00 0.77 H new ATOM 0 HA ALA A 33 14.691 -2.139 -18.754 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.385 -4.312 -17.778 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.013 -3.129 -16.502 1.00 1.17 H new ATOM 0 HB3 ALA A 33 13.842 -4.409 -16.897 1.00 1.17 H new ATOM 484 N ASP A 34 13.811 -4.879 -19.619 1.00 0.77 N ATOM 485 CA ASP A 34 13.274 -5.752 -20.700 1.00 0.85 C ATOM 486 C ASP A 34 11.766 -5.917 -20.516 1.00 0.84 C ATOM 487 O ASP A 34 11.002 -5.849 -21.458 1.00 0.99 O ATOM 488 CB ASP A 34 13.951 -7.123 -20.631 1.00 1.13 C ATOM 489 CG ASP A 34 13.398 -8.021 -21.739 1.00 1.54 C ATOM 490 OD1 ASP A 34 12.283 -7.776 -22.172 1.00 1.78 O ATOM 491 OD2 ASP A 34 14.096 -8.939 -22.135 1.00 2.21 O ATOM 0 H ASP A 34 14.534 -5.302 -19.037 1.00 0.77 H new ATOM 0 HA ASP A 34 13.474 -5.297 -21.670 1.00 0.85 H new ATOM 0 HB2 ASP A 34 15.030 -7.014 -20.741 1.00 1.13 H new ATOM 0 HB3 ASP A 34 13.775 -7.579 -19.657 1.00 1.13 H new ATOM 496 N GLY A 35 11.331 -6.132 -19.304 1.00 0.84 N ATOM 497 CA GLY A 35 9.872 -6.299 -19.051 1.00 1.02 C ATOM 498 C GLY A 35 9.586 -6.057 -17.569 1.00 0.90 C ATOM 499 O GLY A 35 8.912 -6.833 -16.921 1.00 1.19 O ATOM 0 H GLY A 35 11.924 -6.199 -18.477 1.00 0.84 H new ATOM 0 HA2 GLY A 35 9.303 -5.599 -19.662 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.554 -7.302 -19.336 1.00 1.02 H new ATOM 503 N ARG A 36 10.098 -4.986 -17.026 1.00 0.66 N ATOM 504 CA ARG A 36 9.859 -4.694 -15.586 1.00 0.63 C ATOM 505 C ARG A 36 10.375 -3.293 -15.257 1.00 0.62 C ATOM 506 O ARG A 36 11.358 -2.838 -15.807 1.00 0.68 O ATOM 507 CB ARG A 36 10.604 -5.720 -14.728 1.00 0.70 C ATOM 508 CG ARG A 36 12.007 -5.939 -15.298 1.00 1.16 C ATOM 509 CD ARG A 36 12.777 -6.908 -14.399 1.00 1.40 C ATOM 510 NE ARG A 36 12.360 -8.305 -14.703 1.00 2.02 N ATOM 511 CZ ARG A 36 13.081 -9.308 -14.283 1.00 2.19 C ATOM 512 NH1 ARG A 36 14.170 -9.087 -13.597 1.00 2.28 N ATOM 513 NH2 ARG A 36 12.716 -10.532 -14.549 1.00 2.91 N ATOM 0 H ARG A 36 10.671 -4.301 -17.518 1.00 0.66 H new ATOM 0 HA ARG A 36 8.790 -4.748 -15.378 1.00 0.63 H new ATOM 0 HB2 ARG A 36 10.669 -5.370 -13.698 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.056 -6.662 -14.711 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.942 -6.339 -16.310 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.537 -4.989 -15.364 1.00 1.16 H new ATOM 0 HD2 ARG A 36 13.849 -6.794 -14.558 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.584 -6.680 -13.351 1.00 1.40 H new ATOM 0 HE ARG A 36 11.510 -8.478 -15.240 1.00 2.02 H new ATOM 0 HH11 ARG A 36 14.457 -8.130 -13.390 1.00 2.28 H new ATOM 0 HH12 ARG A 36 14.734 -9.871 -13.269 1.00 2.28 H new ATOM 0 HH21 ARG A 36 11.866 -10.706 -15.086 1.00 2.91 H new ATOM 0 HH22 ARG A 36 13.280 -11.315 -14.220 1.00 2.91 H new ATOM 527 N MET A 37 9.724 -2.607 -14.358 1.00 0.63 N ATOM 528 CA MET A 37 10.182 -1.240 -13.989 1.00 0.67 C ATOM 529 C MET A 37 10.760 -1.272 -12.576 1.00 0.68 C ATOM 530 O MET A 37 10.186 -1.847 -11.674 1.00 0.67 O ATOM 531 CB MET A 37 9.001 -0.269 -14.040 1.00 0.71 C ATOM 532 CG MET A 37 9.424 1.082 -13.461 1.00 0.75 C ATOM 533 SD MET A 37 8.058 2.260 -13.617 1.00 0.88 S ATOM 534 CE MET A 37 7.262 1.894 -12.033 1.00 0.93 C ATOM 0 H MET A 37 8.894 -2.935 -13.863 1.00 0.63 H new ATOM 0 HA MET A 37 10.947 -0.908 -14.691 1.00 0.67 H new ATOM 0 HB2 MET A 37 8.663 -0.146 -15.069 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.161 -0.672 -13.474 1.00 0.71 H new ATOM 0 HG2 MET A 37 9.703 0.969 -12.413 1.00 0.75 H new ATOM 0 HG3 MET A 37 10.303 1.456 -13.987 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.179 1.927 -12.154 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.560 0.901 -11.697 1.00 0.93 H new ATOM 0 HE3 MET A 37 7.567 2.634 -11.293 1.00 0.93 H new ATOM 544 N CYS A 38 11.900 -0.670 -12.377 1.00 0.73 N ATOM 545 CA CYS A 38 12.511 -0.688 -11.021 1.00 0.78 C ATOM 546 C CYS A 38 12.857 0.731 -10.573 1.00 0.89 C ATOM 547 O CYS A 38 12.743 1.679 -11.325 1.00 0.88 O ATOM 548 CB CYS A 38 13.783 -1.536 -11.051 1.00 0.79 C ATOM 549 SG CYS A 38 13.852 -2.553 -9.559 1.00 1.06 S ATOM 0 H CYS A 38 12.431 -0.170 -13.090 1.00 0.73 H new ATOM 0 HA CYS A 38 11.796 -1.114 -10.317 1.00 0.78 H new ATOM 0 HB2 CYS A 38 13.792 -2.169 -11.938 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.662 -0.894 -11.109 1.00 0.79 H new ATOM 554 N VAL A 39 13.283 0.875 -9.346 1.00 1.04 N ATOM 555 CA VAL A 39 13.645 2.222 -8.822 1.00 1.18 C ATOM 556 C VAL A 39 14.754 2.066 -7.780 1.00 1.37 C ATOM 557 O VAL A 39 14.788 1.101 -7.036 1.00 1.26 O ATOM 558 CB VAL A 39 12.423 2.861 -8.157 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.484 3.411 -9.231 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.686 1.806 -7.331 1.00 1.26 C ATOM 0 H VAL A 39 13.396 0.110 -8.680 1.00 1.04 H new ATOM 0 HA VAL A 39 13.985 2.854 -9.642 1.00 1.18 H new ATOM 0 HB VAL A 39 12.747 3.674 -7.508 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.615 3.866 -8.756 1.00 1.26 H new ATOM 0 HG12 VAL A 39 12.008 4.162 -9.823 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.159 2.599 -9.881 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.815 2.258 -6.856 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.363 0.994 -7.983 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.354 1.412 -6.564 1.00 1.26 H new ATOM 570 N ASP A 40 15.658 3.005 -7.714 1.00 1.71 N ATOM 571 CA ASP A 40 16.759 2.908 -6.714 1.00 1.97 C ATOM 572 C ASP A 40 16.259 3.417 -5.361 1.00 1.61 C ATOM 573 O ASP A 40 16.081 4.601 -5.160 1.00 2.31 O ATOM 574 CB ASP A 40 17.943 3.761 -7.174 1.00 3.21 C ATOM 575 CG ASP A 40 18.740 2.999 -8.234 1.00 4.09 C ATOM 576 OD1 ASP A 40 18.262 1.969 -8.680 1.00 4.39 O ATOM 577 OD2 ASP A 40 19.816 3.459 -8.583 1.00 4.79 O ATOM 0 H ASP A 40 15.682 3.834 -8.308 1.00 1.71 H new ATOM 0 HA ASP A 40 17.076 1.869 -6.619 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.587 4.707 -7.582 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.583 4.001 -6.325 1.00 3.21 H new ATOM 582 N LEU A 41 16.026 2.530 -4.431 1.00 1.25 N ATOM 583 CA LEU A 41 15.533 2.965 -3.094 1.00 1.86 C ATOM 584 C LEU A 41 16.602 2.683 -2.034 1.00 1.67 C ATOM 585 O LEU A 41 16.532 1.705 -1.318 1.00 1.20 O ATOM 586 CB LEU A 41 14.259 2.194 -2.746 1.00 2.45 C ATOM 587 CG LEU A 41 13.048 2.906 -3.353 1.00 2.88 C ATOM 588 CD1 LEU A 41 12.761 4.188 -2.569 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.345 3.259 -4.813 1.00 3.54 C ATOM 0 H LEU A 41 16.156 1.524 -4.540 1.00 1.25 H new ATOM 0 HA LEU A 41 15.320 4.034 -3.118 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.323 1.175 -3.127 1.00 2.45 H new ATOM 0 HB3 LEU A 41 14.148 2.124 -1.664 1.00 2.45 H new ATOM 0 HG LEU A 41 12.179 2.249 -3.305 1.00 2.88 H new ATOM 0 HD11 LEU A 41 11.898 4.694 -3.002 1.00 2.65 H new ATOM 0 HD12 LEU A 41 12.551 3.939 -1.529 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.629 4.846 -2.616 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.483 3.766 -5.247 1.00 3.54 H new ATOM 0 HD22 LEU A 41 14.214 3.916 -4.859 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.549 2.347 -5.374 1.00 3.54 H new ATOM 601 N PRO A 42 17.583 3.540 -1.939 1.00 2.30 N ATOM 602 CA PRO A 42 18.688 3.393 -0.953 1.00 2.32 C ATOM 603 C PRO A 42 18.270 3.827 0.455 1.00 1.85 C ATOM 604 O PRO A 42 17.101 3.855 0.783 1.00 2.18 O ATOM 605 CB PRO A 42 19.777 4.318 -1.496 1.00 3.11 C ATOM 606 CG PRO A 42 19.053 5.371 -2.269 1.00 3.74 C ATOM 607 CD PRO A 42 17.745 4.747 -2.764 1.00 3.24 C ATOM 0 HA PRO A 42 19.006 2.356 -0.850 1.00 2.32 H new ATOM 0 HB2 PRO A 42 20.360 4.756 -0.686 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.474 3.773 -2.132 1.00 3.11 H new ATOM 0 HG2 PRO A 42 18.852 6.240 -1.642 1.00 3.74 H new ATOM 0 HG3 PRO A 42 19.657 5.716 -3.108 1.00 3.74 H new ATOM 0 HD2 PRO A 42 16.905 5.431 -2.638 1.00 3.24 H new ATOM 0 HD3 PRO A 42 17.798 4.500 -3.824 1.00 3.24 H new ATOM 615 N GLY A 43 19.215 4.165 1.289 1.00 1.69 N ATOM 616 CA GLY A 43 18.869 4.598 2.672 1.00 1.65 C ATOM 617 C GLY A 43 19.376 6.022 2.904 1.00 1.62 C ATOM 618 O GLY A 43 20.564 6.277 2.892 1.00 2.03 O ATOM 0 H GLY A 43 20.212 4.160 1.072 1.00 1.69 H new ATOM 0 HA2 GLY A 43 17.790 4.557 2.818 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.315 3.919 3.399 1.00 1.65 H new ATOM 622 N GLY A 44 18.487 6.955 3.115 1.00 1.61 N ATOM 623 CA GLY A 44 18.924 8.360 3.346 1.00 2.13 C ATOM 624 C GLY A 44 17.714 9.230 3.692 1.00 2.06 C ATOM 625 O GLY A 44 17.777 10.080 4.558 1.00 2.41 O ATOM 0 H GLY A 44 17.478 6.804 3.137 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.652 8.395 4.156 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.419 8.747 2.456 1.00 2.13 H new ATOM 629 N GLN A 45 16.612 9.027 3.021 1.00 1.86 N ATOM 630 CA GLN A 45 15.403 9.848 3.313 1.00 1.96 C ATOM 631 C GLN A 45 14.446 9.053 4.205 1.00 1.90 C ATOM 632 O GLN A 45 14.054 7.948 3.883 1.00 1.92 O ATOM 633 CB GLN A 45 14.703 10.201 2.000 1.00 2.10 C ATOM 634 CG GLN A 45 15.254 11.525 1.466 1.00 2.29 C ATOM 635 CD GLN A 45 14.569 11.866 0.142 1.00 2.34 C ATOM 636 OE1 GLN A 45 15.096 12.619 -0.652 1.00 2.96 O ATOM 637 NE2 GLN A 45 13.407 11.340 -0.130 1.00 2.07 N ATOM 0 H GLN A 45 16.497 8.330 2.285 1.00 1.86 H new ATOM 0 HA GLN A 45 15.699 10.762 3.827 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.859 9.409 1.268 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.628 10.280 2.159 1.00 2.10 H new ATOM 0 HG2 GLN A 45 15.084 12.321 2.191 1.00 2.29 H new ATOM 0 HG3 GLN A 45 16.332 11.451 1.321 1.00 2.29 H new ATOM 0 HE21 GLN A 45 12.965 10.708 0.537 1.00 2.07 H new ATOM 0 HE22 GLN A 45 12.941 11.561 -1.010 1.00 2.07 H new ATOM 646 N GLY A 46 14.066 9.608 5.324 1.00 2.04 N ATOM 647 CA GLY A 46 13.134 8.887 6.236 1.00 2.08 C ATOM 648 C GLY A 46 11.744 9.521 6.145 1.00 2.01 C ATOM 649 O GLY A 46 11.250 10.098 7.093 1.00 2.08 O ATOM 0 H GLY A 46 14.361 10.530 5.646 1.00 2.04 H new ATOM 0 HA2 GLY A 46 13.084 7.833 5.964 1.00 2.08 H new ATOM 0 HA3 GLY A 46 13.501 8.934 7.261 1.00 2.08 H new ATOM 653 N ASN A 47 11.111 9.416 5.009 1.00 2.09 N ATOM 654 CA ASN A 47 9.756 10.011 4.851 1.00 2.14 C ATOM 655 C ASN A 47 8.921 9.133 3.914 1.00 1.80 C ATOM 656 O ASN A 47 9.013 9.240 2.708 1.00 1.63 O ATOM 657 CB ASN A 47 9.887 11.413 4.256 1.00 2.60 C ATOM 658 CG ASN A 47 11.130 11.474 3.368 1.00 2.84 C ATOM 659 OD1 ASN A 47 11.551 10.472 2.826 1.00 2.65 O ATOM 660 ND2 ASN A 47 11.740 12.615 3.196 1.00 3.61 N ATOM 0 H ASN A 47 11.475 8.943 4.182 1.00 2.09 H new ATOM 0 HA ASN A 47 9.266 10.072 5.823 1.00 2.14 H new ATOM 0 HB2 ASN A 47 8.998 11.657 3.674 1.00 2.60 H new ATOM 0 HB3 ASN A 47 9.959 12.153 5.053 1.00 2.60 H new ATOM 0 HD21 ASN A 47 12.571 12.665 2.606 1.00 3.61 H new ATOM 0 HD22 ASN A 47 11.386 13.456 3.651 1.00 3.61 H new ATOM 667 N PRO A 48 8.118 8.263 4.469 1.00 1.85 N ATOM 668 CA PRO A 48 7.255 7.339 3.678 1.00 1.74 C ATOM 669 C PRO A 48 6.468 8.051 2.572 1.00 1.36 C ATOM 670 O PRO A 48 5.657 7.447 1.897 1.00 1.19 O ATOM 671 CB PRO A 48 6.298 6.754 4.717 1.00 2.19 C ATOM 672 CG PRO A 48 7.018 6.853 6.020 1.00 2.36 C ATOM 673 CD PRO A 48 7.946 8.065 5.917 1.00 2.21 C ATOM 0 HA PRO A 48 7.853 6.591 3.157 1.00 1.74 H new ATOM 0 HB2 PRO A 48 5.360 7.309 4.743 1.00 2.19 H new ATOM 0 HB3 PRO A 48 6.050 5.719 4.483 1.00 2.19 H new ATOM 0 HG2 PRO A 48 6.314 6.973 6.843 1.00 2.36 H new ATOM 0 HG3 PRO A 48 7.588 5.945 6.218 1.00 2.36 H new ATOM 0 HD2 PRO A 48 7.508 8.944 6.390 1.00 2.21 H new ATOM 0 HD3 PRO A 48 8.900 7.880 6.410 1.00 2.21 H new ATOM 681 N TRP A 49 6.693 9.322 2.372 1.00 1.49 N ATOM 682 CA TRP A 49 5.944 10.039 1.302 1.00 1.39 C ATOM 683 C TRP A 49 6.928 10.767 0.384 1.00 1.17 C ATOM 684 O TRP A 49 6.643 11.830 -0.131 1.00 1.45 O ATOM 685 CB TRP A 49 4.982 11.048 1.936 1.00 1.79 C ATOM 686 CG TRP A 49 5.540 11.530 3.236 1.00 1.85 C ATOM 687 CD1 TRP A 49 5.098 11.157 4.459 1.00 1.69 C ATOM 688 CD2 TRP A 49 6.630 12.468 3.465 1.00 2.46 C ATOM 689 NE1 TRP A 49 5.846 11.807 5.423 1.00 1.97 N ATOM 690 CE2 TRP A 49 6.804 12.627 4.860 1.00 2.36 C ATOM 691 CE3 TRP A 49 7.475 13.188 2.604 1.00 3.27 C ATOM 692 CZ2 TRP A 49 7.784 13.474 5.383 1.00 2.90 C ATOM 693 CZ3 TRP A 49 8.463 14.040 3.125 1.00 3.87 C ATOM 694 CH2 TRP A 49 8.616 14.183 4.511 1.00 3.62 C ATOM 0 H TRP A 49 7.357 9.890 2.898 1.00 1.49 H new ATOM 0 HA TRP A 49 5.373 9.319 0.716 1.00 1.39 H new ATOM 0 HB2 TRP A 49 4.827 11.890 1.262 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.008 10.585 2.097 1.00 1.79 H new ATOM 0 HD1 TRP A 49 4.292 10.464 4.651 1.00 1.69 H new ATOM 0 HE1 TRP A 49 5.707 11.695 6.427 1.00 1.97 H new ATOM 0 HE3 TRP A 49 7.364 13.086 1.535 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 7.898 13.580 6.452 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 9.108 14.588 2.454 1.00 3.87 H new ATOM 0 HH2 TRP A 49 9.376 14.841 4.905 1.00 3.62 H new ATOM 705 N ASP A 50 8.083 10.197 0.167 1.00 1.07 N ATOM 706 CA ASP A 50 9.083 10.850 -0.724 1.00 1.36 C ATOM 707 C ASP A 50 9.637 9.813 -1.705 1.00 1.21 C ATOM 708 O ASP A 50 10.812 9.802 -2.014 1.00 1.27 O ATOM 709 CB ASP A 50 10.230 11.417 0.117 1.00 1.73 C ATOM 710 CG ASP A 50 9.898 12.850 0.540 1.00 2.02 C ATOM 711 OD1 ASP A 50 8.941 13.396 0.018 1.00 2.38 O ATOM 712 OD2 ASP A 50 10.610 13.377 1.379 1.00 2.14 O ATOM 0 H ASP A 50 8.377 9.307 0.569 1.00 1.07 H new ATOM 0 HA ASP A 50 8.605 11.660 -1.275 1.00 1.36 H new ATOM 0 HB2 ASP A 50 10.390 10.795 0.998 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.157 11.402 -0.457 1.00 1.73 H new ATOM 717 N ALA A 51 8.798 8.941 -2.195 1.00 1.09 N ATOM 718 CA ALA A 51 9.274 7.903 -3.153 1.00 1.02 C ATOM 719 C ALA A 51 8.289 6.735 -3.161 1.00 0.89 C ATOM 720 O ALA A 51 8.367 5.838 -2.346 1.00 0.87 O ATOM 721 CB ALA A 51 10.655 7.405 -2.723 1.00 1.11 C ATOM 0 H ALA A 51 7.803 8.903 -1.973 1.00 1.09 H new ATOM 0 HA ALA A 51 9.341 8.332 -4.153 1.00 1.02 H new ATOM 0 HB1 ALA A 51 11.003 6.646 -3.424 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.356 8.239 -2.715 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.592 6.974 -1.724 1.00 1.11 H new ATOM 727 N GLY A 52 7.355 6.741 -4.074 1.00 0.86 N ATOM 728 CA GLY A 52 6.365 5.630 -4.125 1.00 0.86 C ATOM 729 C GLY A 52 5.509 5.754 -5.387 1.00 0.87 C ATOM 730 O GLY A 52 5.607 6.717 -6.122 1.00 0.94 O ATOM 0 H GLY A 52 7.236 7.464 -4.783 1.00 0.86 H new ATOM 0 HA2 GLY A 52 6.882 4.670 -4.118 1.00 0.86 H new ATOM 0 HA3 GLY A 52 5.730 5.656 -3.240 1.00 0.86 H new ATOM 734 N LEU A 53 4.667 4.788 -5.643 1.00 0.83 N ATOM 735 CA LEU A 53 3.805 4.857 -6.856 1.00 0.84 C ATOM 736 C LEU A 53 2.446 5.450 -6.484 1.00 0.79 C ATOM 737 O LEU A 53 2.204 5.812 -5.350 1.00 0.78 O ATOM 738 CB LEU A 53 3.595 3.455 -7.432 1.00 0.85 C ATOM 739 CG LEU A 53 4.898 2.657 -7.365 1.00 0.90 C ATOM 740 CD1 LEU A 53 4.753 1.388 -8.205 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.049 3.501 -7.915 1.00 0.96 C ATOM 0 H LEU A 53 4.540 3.957 -5.066 1.00 0.83 H new ATOM 0 HA LEU A 53 4.294 5.485 -7.601 1.00 0.84 H new ATOM 0 HB2 LEU A 53 2.814 2.938 -6.874 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.256 3.525 -8.465 1.00 0.85 H new ATOM 0 HG LEU A 53 5.109 2.392 -6.329 1.00 0.90 H new ATOM 0 HD11 LEU A 53 5.679 0.815 -8.161 1.00 0.90 H new ATOM 0 HD12 LEU A 53 3.934 0.784 -7.814 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.543 1.659 -9.240 1.00 0.90 H new ATOM 0 HD21 LEU A 53 6.976 2.929 -7.866 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.842 3.767 -8.951 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.151 4.409 -7.320 1.00 0.96 H new ATOM 753 N VAL A 54 1.555 5.544 -7.433 1.00 0.79 N ATOM 754 CA VAL A 54 0.206 6.109 -7.142 1.00 0.78 C ATOM 755 C VAL A 54 -0.758 5.723 -8.268 1.00 0.80 C ATOM 756 O VAL A 54 -0.344 5.348 -9.347 1.00 0.90 O ATOM 757 CB VAL A 54 0.283 7.637 -7.047 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.352 8.098 -5.734 1.00 0.92 C ATOM 759 CG2 VAL A 54 1.743 8.099 -7.089 1.00 0.92 C ATOM 0 H VAL A 54 1.703 5.253 -8.399 1.00 0.79 H new ATOM 0 HA VAL A 54 -0.150 5.709 -6.193 1.00 0.78 H new ATOM 0 HB VAL A 54 -0.253 8.070 -7.892 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.298 9.184 -5.665 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.395 7.784 -5.705 1.00 0.92 H new ATOM 0 HG13 VAL A 54 0.184 7.654 -4.895 1.00 0.92 H new ATOM 0 HG21 VAL A 54 1.783 9.186 -7.021 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.287 7.663 -6.251 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.200 7.777 -8.025 1.00 0.92 H new ATOM 769 N TYR A 55 -2.039 5.816 -8.028 1.00 0.78 N ATOM 770 CA TYR A 55 -3.022 5.458 -9.090 1.00 0.82 C ATOM 771 C TYR A 55 -4.438 5.465 -8.507 1.00 0.81 C ATOM 772 O TYR A 55 -4.664 5.043 -7.390 1.00 1.06 O ATOM 773 CB TYR A 55 -2.700 4.063 -9.632 1.00 0.83 C ATOM 774 CG TYR A 55 -3.914 3.493 -10.324 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.411 4.104 -11.482 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.542 2.351 -9.811 1.00 1.54 C ATOM 777 CE1 TYR A 55 -5.536 3.573 -12.125 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.666 1.821 -10.455 1.00 1.71 C ATOM 779 CZ TYR A 55 -6.163 2.432 -11.611 1.00 1.37 C ATOM 780 OH TYR A 55 -7.273 1.910 -12.245 1.00 1.61 O ATOM 0 H TYR A 55 -2.446 6.124 -7.145 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.962 6.187 -9.898 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.864 4.117 -10.329 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.393 3.408 -8.817 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.927 4.984 -11.879 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.159 1.879 -8.918 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -5.920 4.044 -13.018 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.150 0.940 -10.059 1.00 1.71 H new ATOM 0 HH TYR A 55 -7.545 2.507 -12.973 1.00 1.61 H new ATOM 790 N ASN A 56 -5.393 5.944 -9.258 1.00 0.93 N ATOM 791 CA ASN A 56 -6.794 5.982 -8.758 1.00 1.01 C ATOM 792 C ASN A 56 -7.536 4.729 -9.226 1.00 1.28 C ATOM 793 O ASN A 56 -6.938 3.788 -9.710 1.00 2.04 O ATOM 794 CB ASN A 56 -7.491 7.225 -9.314 1.00 1.81 C ATOM 795 CG ASN A 56 -7.206 8.423 -8.407 1.00 2.22 C ATOM 796 OD1 ASN A 56 -7.823 9.461 -8.539 1.00 2.78 O ATOM 797 ND2 ASN A 56 -6.290 8.322 -7.482 1.00 2.47 N ATOM 0 H ASN A 56 -5.261 6.312 -10.200 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.795 6.017 -7.669 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -7.139 7.430 -10.325 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -8.565 7.053 -9.379 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -6.093 9.114 -6.871 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -5.772 7.451 -7.371 1.00 2.47 H new ATOM 804 N GLY A 57 -8.833 4.705 -9.084 1.00 1.18 N ATOM 805 CA GLY A 57 -9.607 3.510 -9.524 1.00 1.77 C ATOM 806 C GLY A 57 -9.555 2.439 -8.433 1.00 1.64 C ATOM 807 O GLY A 57 -8.860 1.449 -8.554 1.00 2.48 O ATOM 0 H GLY A 57 -9.389 5.460 -8.683 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.641 3.788 -9.727 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.194 3.118 -10.453 1.00 1.77 H new ATOM 811 N VAL A 58 -10.283 2.629 -7.368 1.00 1.34 N ATOM 812 CA VAL A 58 -10.274 1.623 -6.270 1.00 1.99 C ATOM 813 C VAL A 58 -11.508 1.818 -5.387 1.00 1.78 C ATOM 814 O VAL A 58 -11.408 2.243 -4.253 1.00 1.95 O ATOM 815 CB VAL A 58 -9.011 1.802 -5.427 1.00 2.93 C ATOM 816 CG1 VAL A 58 -9.133 0.978 -4.143 1.00 3.79 C ATOM 817 CG2 VAL A 58 -7.795 1.324 -6.224 1.00 2.88 C ATOM 0 H VAL A 58 -10.884 3.438 -7.211 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.289 0.620 -6.696 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.890 2.855 -5.173 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -8.233 1.105 -3.542 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -10.000 1.316 -3.575 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.254 -0.075 -4.397 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -6.894 1.451 -5.624 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -7.917 0.271 -6.477 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -7.707 1.909 -7.139 1.00 2.88 H new ATOM 827 N PRO A 59 -12.664 1.508 -5.907 1.00 1.85 N ATOM 828 CA PRO A 59 -13.947 1.646 -5.162 1.00 1.84 C ATOM 829 C PRO A 59 -14.092 0.591 -4.063 1.00 1.90 C ATOM 830 O PRO A 59 -14.076 -0.597 -4.323 1.00 2.05 O ATOM 831 CB PRO A 59 -15.020 1.452 -6.236 1.00 2.07 C ATOM 832 CG PRO A 59 -14.365 0.657 -7.316 1.00 2.39 C ATOM 833 CD PRO A 59 -12.872 0.988 -7.269 1.00 2.40 C ATOM 0 HA PRO A 59 -14.016 2.606 -4.651 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.887 0.928 -5.834 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.374 2.411 -6.614 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.529 -0.410 -7.164 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.786 0.908 -8.290 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.261 0.105 -7.456 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.603 1.727 -8.024 1.00 2.40 H new ATOM 841 N VAL A 60 -14.230 1.012 -2.836 1.00 2.10 N ATOM 842 CA VAL A 60 -14.372 0.031 -1.723 1.00 2.46 C ATOM 843 C VAL A 60 -15.781 0.126 -1.134 1.00 2.53 C ATOM 844 O VAL A 60 -16.337 1.197 -0.998 1.00 2.50 O ATOM 845 CB VAL A 60 -13.342 0.343 -0.635 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.222 -0.851 0.315 1.00 3.08 C ATOM 847 CG2 VAL A 60 -11.984 0.617 -1.285 1.00 2.93 C ATOM 0 H VAL A 60 -14.251 1.993 -2.556 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.206 -0.977 -2.104 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.661 1.221 -0.073 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.488 -0.628 1.089 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.189 -1.047 0.777 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.903 -1.730 -0.244 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.249 0.840 -0.512 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.666 -0.261 -1.847 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -12.069 1.468 -1.960 1.00 2.93 H new ATOM 857 N GLY A 61 -16.361 -0.989 -0.781 1.00 2.83 N ATOM 858 CA GLY A 61 -17.732 -0.964 -0.199 1.00 3.05 C ATOM 859 C GLY A 61 -17.685 -1.484 1.238 1.00 2.72 C ATOM 860 O GLY A 61 -17.667 -2.676 1.478 1.00 2.61 O ATOM 0 H GLY A 61 -15.944 -1.916 -0.871 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.128 0.051 -0.217 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.404 -1.579 -0.798 1.00 3.05 H new ATOM 864 N GLU A 62 -17.663 -0.600 2.198 1.00 3.03 N ATOM 865 CA GLU A 62 -17.616 -1.044 3.621 1.00 2.96 C ATOM 866 C GLU A 62 -18.441 -2.322 3.786 1.00 2.29 C ATOM 867 O GLU A 62 -19.572 -2.403 3.349 1.00 2.02 O ATOM 868 CB GLU A 62 -18.191 0.054 4.517 1.00 4.03 C ATOM 869 CG GLU A 62 -18.350 -0.480 5.942 1.00 4.32 C ATOM 870 CD GLU A 62 -18.557 0.690 6.906 1.00 5.32 C ATOM 871 OE1 GLU A 62 -18.642 1.811 6.435 1.00 6.05 O ATOM 872 OE2 GLU A 62 -18.626 0.443 8.099 1.00 5.54 O ATOM 0 H GLU A 62 -17.676 0.410 2.059 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.582 -1.241 3.905 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -17.532 0.922 4.514 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.156 0.385 4.132 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -19.199 -1.162 5.993 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -17.466 -1.049 6.229 1.00 4.32 H new ATOM 879 N GLY A 63 -17.886 -3.321 4.415 1.00 2.54 N ATOM 880 CA GLY A 63 -18.640 -4.592 4.608 1.00 2.46 C ATOM 881 C GLY A 63 -18.009 -5.698 3.759 1.00 2.21 C ATOM 882 O GLY A 63 -18.015 -6.856 4.126 1.00 2.29 O ATOM 0 H GLY A 63 -16.943 -3.312 4.804 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -18.629 -4.877 5.660 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -19.684 -4.454 4.326 1.00 2.46 H new ATOM 886 N GLU A 64 -17.464 -5.350 2.624 1.00 2.23 N ATOM 887 CA GLU A 64 -16.835 -6.380 1.752 1.00 2.27 C ATOM 888 C GLU A 64 -15.318 -6.355 1.944 1.00 2.19 C ATOM 889 O GLU A 64 -14.790 -5.551 2.687 1.00 2.81 O ATOM 890 CB GLU A 64 -17.170 -6.077 0.291 1.00 2.70 C ATOM 891 CG GLU A 64 -18.467 -6.790 -0.096 1.00 3.18 C ATOM 892 CD GLU A 64 -19.308 -5.874 -0.986 1.00 3.59 C ATOM 893 OE1 GLU A 64 -19.316 -4.681 -0.735 1.00 3.92 O ATOM 894 OE2 GLU A 64 -19.929 -6.383 -1.905 1.00 4.03 O ATOM 0 H GLU A 64 -17.428 -4.396 2.264 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.216 -7.366 2.018 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.277 -5.002 0.147 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.356 -6.405 -0.355 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.241 -7.718 -0.622 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.027 -7.059 0.799 1.00 3.18 H new ATOM 901 N SER A 65 -14.611 -7.229 1.281 1.00 1.71 N ATOM 902 CA SER A 65 -13.128 -7.252 1.427 1.00 1.83 C ATOM 903 C SER A 65 -12.479 -7.219 0.042 1.00 1.49 C ATOM 904 O SER A 65 -12.981 -7.795 -0.903 1.00 1.87 O ATOM 905 CB SER A 65 -12.706 -8.528 2.157 1.00 2.37 C ATOM 906 OG SER A 65 -13.073 -8.427 3.527 1.00 2.91 O ATOM 0 H SER A 65 -14.996 -7.928 0.645 1.00 1.71 H new ATOM 0 HA SER A 65 -12.806 -6.383 2.001 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.185 -9.396 1.703 1.00 2.37 H new ATOM 0 HB3 SER A 65 -11.630 -8.674 2.066 1.00 2.37 H new ATOM 0 HG SER A 65 -12.271 -8.495 4.086 1.00 2.91 H new ATOM 912 N TYR A 66 -11.368 -6.545 -0.090 1.00 1.14 N ATOM 913 CA TYR A 66 -10.695 -6.470 -1.414 1.00 1.22 C ATOM 914 C TYR A 66 -9.362 -7.221 -1.358 1.00 1.63 C ATOM 915 O TYR A 66 -8.988 -7.768 -0.340 1.00 2.01 O ATOM 916 CB TYR A 66 -10.435 -5.005 -1.756 1.00 1.29 C ATOM 917 CG TYR A 66 -11.688 -4.387 -2.326 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.759 -4.075 -1.479 1.00 1.79 C ATOM 919 CD2 TYR A 66 -11.781 -4.125 -3.698 1.00 1.47 C ATOM 920 CE1 TYR A 66 -13.923 -3.501 -2.005 1.00 1.98 C ATOM 921 CE2 TYR A 66 -12.945 -3.551 -4.223 1.00 1.86 C ATOM 922 CZ TYR A 66 -14.016 -3.239 -3.377 1.00 1.87 C ATOM 923 OH TYR A 66 -15.163 -2.673 -3.895 1.00 2.38 O ATOM 0 H TYR A 66 -10.899 -6.043 0.664 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.331 -6.923 -2.174 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.124 -4.463 -0.863 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.620 -4.928 -2.476 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.687 -4.277 -0.421 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -10.955 -4.366 -4.351 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -14.749 -3.260 -1.352 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -13.017 -3.349 -5.281 1.00 1.86 H new ATOM 0 HH TYR A 66 -15.055 -1.700 -3.944 1.00 2.38 H new ATOM 933 N VAL A 67 -8.645 -7.244 -2.449 1.00 1.69 N ATOM 934 CA VAL A 67 -7.332 -7.952 -2.472 1.00 2.07 C ATOM 935 C VAL A 67 -6.428 -7.306 -3.524 1.00 2.20 C ATOM 936 O VAL A 67 -6.859 -6.989 -4.614 1.00 2.22 O ATOM 937 CB VAL A 67 -7.550 -9.425 -2.829 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.349 -10.249 -2.357 1.00 2.61 C ATOM 939 CG2 VAL A 67 -8.820 -9.937 -2.146 1.00 2.54 C ATOM 0 H VAL A 67 -8.913 -6.802 -3.328 1.00 1.69 H new ATOM 0 HA VAL A 67 -6.864 -7.881 -1.490 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.656 -9.523 -3.909 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.505 -11.297 -2.611 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.445 -9.887 -2.846 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.242 -10.150 -1.277 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -8.973 -10.986 -2.402 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -8.717 -9.838 -1.065 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -9.676 -9.353 -2.484 1.00 2.54 H new ATOM 949 N LEU A 68 -5.176 -7.106 -3.209 1.00 2.36 N ATOM 950 CA LEU A 68 -4.252 -6.477 -4.197 1.00 2.59 C ATOM 951 C LEU A 68 -3.088 -7.426 -4.495 1.00 2.17 C ATOM 952 O LEU A 68 -2.349 -7.811 -3.611 1.00 2.07 O ATOM 953 CB LEU A 68 -3.704 -5.171 -3.619 1.00 3.01 C ATOM 954 CG LEU A 68 -3.411 -4.185 -4.752 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.610 -3.255 -4.942 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.176 -3.355 -4.398 1.00 3.61 C ATOM 0 H LEU A 68 -4.754 -7.350 -2.313 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.796 -6.272 -5.119 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.425 -4.739 -2.926 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.795 -5.367 -3.051 1.00 3.01 H new ATOM 0 HG LEU A 68 -3.228 -4.736 -5.674 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.401 -2.553 -5.749 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.492 -3.845 -5.193 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -4.793 -2.704 -4.020 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.966 -2.652 -5.205 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.360 -2.804 -3.476 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.320 -4.016 -4.261 1.00 3.61 H new ATOM 968 N SER A 69 -2.911 -7.797 -5.734 1.00 1.98 N ATOM 969 CA SER A 69 -1.787 -8.711 -6.087 1.00 1.66 C ATOM 970 C SER A 69 -0.741 -7.922 -6.874 1.00 1.53 C ATOM 971 O SER A 69 -0.754 -7.891 -8.089 1.00 1.60 O ATOM 972 CB SER A 69 -2.316 -9.872 -6.928 1.00 1.82 C ATOM 973 OG SER A 69 -3.287 -9.386 -7.845 1.00 2.27 O ATOM 0 H SER A 69 -3.496 -7.507 -6.517 1.00 1.98 H new ATOM 0 HA SER A 69 -1.333 -9.115 -5.182 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.497 -10.348 -7.467 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.757 -10.632 -6.283 1.00 1.82 H new ATOM 0 HG SER A 69 -2.839 -9.060 -8.654 1.00 2.27 H new ATOM 979 N PHE A 70 0.151 -7.262 -6.185 1.00 1.38 N ATOM 980 CA PHE A 70 1.185 -6.450 -6.888 1.00 1.30 C ATOM 981 C PHE A 70 2.466 -7.255 -7.104 1.00 1.23 C ATOM 982 O PHE A 70 2.876 -8.032 -6.264 1.00 1.40 O ATOM 983 CB PHE A 70 1.498 -5.193 -6.071 1.00 1.34 C ATOM 984 CG PHE A 70 1.983 -5.579 -4.696 1.00 1.31 C ATOM 985 CD1 PHE A 70 1.067 -5.984 -3.718 1.00 1.96 C ATOM 986 CD2 PHE A 70 3.350 -5.525 -4.397 1.00 1.23 C ATOM 987 CE1 PHE A 70 1.518 -6.336 -2.441 1.00 2.01 C ATOM 988 CE2 PHE A 70 3.801 -5.877 -3.119 1.00 1.35 C ATOM 989 CZ PHE A 70 2.885 -6.283 -2.141 1.00 1.48 C ATOM 0 H PHE A 70 0.208 -7.250 -5.167 1.00 1.38 H new ATOM 0 HA PHE A 70 0.791 -6.167 -7.864 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.257 -4.598 -6.580 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.607 -4.571 -5.990 1.00 1.34 H new ATOM 0 HD1 PHE A 70 0.013 -6.025 -3.949 1.00 1.96 H new ATOM 0 HD2 PHE A 70 4.056 -5.212 -5.152 1.00 1.23 H new ATOM 0 HE1 PHE A 70 0.812 -6.649 -1.686 1.00 2.01 H new ATOM 0 HE2 PHE A 70 4.855 -5.835 -2.888 1.00 1.35 H new ATOM 0 HZ PHE A 70 3.233 -6.555 -1.155 1.00 1.48 H new ATOM 999 N THR A 71 3.117 -7.052 -8.219 1.00 1.13 N ATOM 1000 CA THR A 71 4.389 -7.774 -8.495 1.00 1.16 C ATOM 1001 C THR A 71 5.556 -6.901 -8.032 1.00 1.11 C ATOM 1002 O THR A 71 5.702 -5.775 -8.465 1.00 1.39 O ATOM 1003 CB THR A 71 4.520 -8.025 -9.999 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.861 -6.986 -10.706 1.00 1.15 O ATOM 1005 CG2 THR A 71 3.890 -9.370 -10.359 1.00 1.80 C ATOM 0 H THR A 71 2.818 -6.412 -8.954 1.00 1.13 H new ATOM 0 HA THR A 71 4.395 -8.727 -7.966 1.00 1.16 H new ATOM 0 HB THR A 71 5.575 -8.043 -10.272 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.812 -6.186 -10.142 1.00 1.15 H new ATOM 0 HG21 THR A 71 3.987 -9.542 -11.431 1.00 1.80 H new ATOM 0 HG22 THR A 71 4.398 -10.167 -9.816 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.835 -9.362 -10.087 1.00 1.80 H new ATOM 1013 N ALA A 72 6.387 -7.396 -7.158 1.00 0.96 N ATOM 1014 CA ALA A 72 7.529 -6.562 -6.688 1.00 0.87 C ATOM 1015 C ALA A 72 8.584 -7.437 -6.010 1.00 0.81 C ATOM 1016 O ALA A 72 8.275 -8.425 -5.374 1.00 0.85 O ATOM 1017 CB ALA A 72 7.018 -5.521 -5.691 1.00 0.81 C ATOM 0 H ALA A 72 6.327 -8.330 -6.753 1.00 0.96 H new ATOM 0 HA ALA A 72 7.981 -6.065 -7.547 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.851 -4.909 -5.345 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.278 -4.885 -6.176 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.561 -6.026 -4.840 1.00 0.81 H new ATOM 1023 N SER A 73 9.828 -7.068 -6.135 1.00 0.75 N ATOM 1024 CA SER A 73 10.914 -7.860 -5.492 1.00 0.72 C ATOM 1025 C SER A 73 11.762 -6.926 -4.627 1.00 0.64 C ATOM 1026 O SER A 73 12.100 -5.830 -5.031 1.00 0.84 O ATOM 1027 CB SER A 73 11.792 -8.499 -6.570 1.00 0.82 C ATOM 1028 OG SER A 73 11.794 -7.669 -7.725 1.00 0.93 O ATOM 0 H SER A 73 10.141 -6.249 -6.657 1.00 0.75 H new ATOM 0 HA SER A 73 10.481 -8.646 -4.873 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.809 -8.628 -6.199 1.00 0.82 H new ATOM 0 HB3 SER A 73 11.416 -9.491 -6.821 1.00 0.82 H new ATOM 0 HG SER A 73 12.357 -8.074 -8.418 1.00 0.93 H new ATOM 1034 N ALA A 74 12.098 -7.345 -3.440 1.00 0.66 N ATOM 1035 CA ALA A 74 12.913 -6.475 -2.547 1.00 0.59 C ATOM 1036 C ALA A 74 14.338 -7.025 -2.446 1.00 0.61 C ATOM 1037 O ALA A 74 14.557 -8.116 -1.959 1.00 0.67 O ATOM 1038 CB ALA A 74 12.281 -6.447 -1.156 1.00 0.59 C ATOM 0 H ALA A 74 11.844 -8.252 -3.049 1.00 0.66 H new ATOM 0 HA ALA A 74 12.946 -5.466 -2.958 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.875 -5.811 -0.499 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.268 -6.052 -1.225 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.249 -7.458 -0.750 1.00 0.59 H new ATOM 1044 N THR A 75 15.306 -6.278 -2.900 1.00 0.62 N ATOM 1045 CA THR A 75 16.713 -6.757 -2.827 1.00 0.72 C ATOM 1046 C THR A 75 17.607 -5.659 -2.232 1.00 0.72 C ATOM 1047 O THR A 75 17.727 -4.592 -2.800 1.00 0.74 O ATOM 1048 CB THR A 75 17.198 -7.092 -4.236 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.486 -6.305 -5.177 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.949 -8.572 -4.531 1.00 0.97 C ATOM 0 H THR A 75 15.182 -5.356 -3.319 1.00 0.62 H new ATOM 0 HA THR A 75 16.763 -7.643 -2.194 1.00 0.72 H new ATOM 0 HB THR A 75 18.265 -6.882 -4.308 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.548 -6.719 -6.063 1.00 0.86 H new ATOM 0 HG21 THR A 75 17.297 -8.806 -5.537 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.490 -9.183 -3.809 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.882 -8.783 -4.457 1.00 0.97 H new ATOM 1058 N PRO A 76 18.248 -5.908 -1.112 1.00 0.77 N ATOM 1059 CA PRO A 76 18.152 -7.195 -0.353 1.00 0.83 C ATOM 1060 C PRO A 76 16.753 -7.427 0.227 1.00 0.73 C ATOM 1061 O PRO A 76 15.750 -7.111 -0.382 1.00 0.68 O ATOM 1062 CB PRO A 76 19.168 -7.038 0.787 1.00 0.97 C ATOM 1063 CG PRO A 76 20.028 -5.876 0.415 1.00 1.02 C ATOM 1064 CD PRO A 76 19.162 -4.967 -0.451 1.00 0.85 C ATOM 0 HA PRO A 76 18.349 -8.049 -1.001 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.664 -6.862 1.737 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.764 -7.943 0.905 1.00 0.97 H new ATOM 0 HG2 PRO A 76 20.378 -5.350 1.303 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.913 -6.205 -0.130 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.622 -4.234 0.148 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.759 -4.410 -1.173 1.00 0.85 H new ATOM 1072 N ASP A 77 16.681 -7.974 1.407 1.00 0.81 N ATOM 1073 CA ASP A 77 15.353 -8.229 2.032 1.00 0.76 C ATOM 1074 C ASP A 77 15.037 -7.127 3.047 1.00 0.72 C ATOM 1075 O ASP A 77 15.917 -6.444 3.532 1.00 0.78 O ATOM 1076 CB ASP A 77 15.378 -9.584 2.744 1.00 0.91 C ATOM 1077 CG ASP A 77 16.277 -10.551 1.971 1.00 1.09 C ATOM 1078 OD1 ASP A 77 17.426 -10.207 1.746 1.00 1.75 O ATOM 1079 OD2 ASP A 77 15.802 -11.617 1.619 1.00 1.30 O ATOM 0 H ASP A 77 17.485 -8.256 1.967 1.00 0.81 H new ATOM 0 HA ASP A 77 14.586 -8.235 1.257 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.746 -9.464 3.763 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.368 -9.988 2.815 1.00 0.91 H new ATOM 1084 N MET A 78 13.785 -6.955 3.372 1.00 0.75 N ATOM 1085 CA MET A 78 13.402 -5.902 4.356 1.00 0.87 C ATOM 1086 C MET A 78 11.901 -5.623 4.237 1.00 0.89 C ATOM 1087 O MET A 78 11.300 -5.851 3.205 1.00 0.93 O ATOM 1088 CB MET A 78 14.188 -4.620 4.070 1.00 1.01 C ATOM 1089 CG MET A 78 15.277 -4.433 5.131 1.00 1.19 C ATOM 1090 SD MET A 78 16.648 -3.483 4.425 1.00 1.83 S ATOM 1091 CE MET A 78 17.979 -4.601 4.927 1.00 2.16 C ATOM 0 H MET A 78 13.008 -7.500 2.998 1.00 0.75 H new ATOM 0 HA MET A 78 13.631 -6.244 5.365 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.638 -4.672 3.079 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.516 -3.762 4.070 1.00 1.01 H new ATOM 0 HG2 MET A 78 14.869 -3.914 5.999 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.633 -5.403 5.478 1.00 1.19 H new ATOM 0 HE1 MET A 78 18.905 -4.037 5.038 1.00 2.16 H new ATOM 0 HE2 MET A 78 17.723 -5.068 5.878 1.00 2.16 H new ATOM 0 HE3 MET A 78 18.112 -5.372 4.168 1.00 2.16 H new ATOM 1101 N PRO A 79 11.298 -5.140 5.293 1.00 0.96 N ATOM 1102 CA PRO A 79 9.840 -4.828 5.319 1.00 1.04 C ATOM 1103 C PRO A 79 9.500 -3.538 4.567 1.00 1.13 C ATOM 1104 O PRO A 79 10.281 -2.610 4.519 1.00 1.28 O ATOM 1105 CB PRO A 79 9.535 -4.670 6.809 1.00 1.12 C ATOM 1106 CG PRO A 79 10.822 -4.242 7.432 1.00 1.38 C ATOM 1107 CD PRO A 79 11.945 -4.840 6.581 1.00 1.11 C ATOM 0 HA PRO A 79 9.254 -5.604 4.828 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.753 -3.929 6.974 1.00 1.12 H new ATOM 0 HB3 PRO A 79 9.182 -5.607 7.240 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.895 -3.155 7.460 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.889 -4.593 8.462 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.770 -4.138 6.459 1.00 1.11 H new ATOM 0 HD3 PRO A 79 12.357 -5.739 7.039 1.00 1.11 H new ATOM 1115 N VAL A 80 8.332 -3.473 3.986 1.00 1.13 N ATOM 1116 CA VAL A 80 7.934 -2.243 3.244 1.00 1.31 C ATOM 1117 C VAL A 80 6.629 -1.703 3.835 1.00 1.45 C ATOM 1118 O VAL A 80 6.009 -2.335 4.668 1.00 1.98 O ATOM 1119 CB VAL A 80 7.743 -2.576 1.759 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.560 -3.821 1.407 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.264 -2.845 1.465 1.00 1.79 C ATOM 0 H VAL A 80 7.636 -4.219 3.993 1.00 1.13 H new ATOM 0 HA VAL A 80 8.713 -1.486 3.337 1.00 1.31 H new ATOM 0 HB VAL A 80 8.080 -1.730 1.160 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.425 -4.059 0.352 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.615 -3.631 1.604 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.223 -4.661 2.014 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.140 -3.080 0.408 1.00 1.79 H new ATOM 0 HG22 VAL A 80 5.921 -3.686 2.067 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.677 -1.960 1.711 1.00 1.79 H new ATOM 1131 N ARG A 81 6.209 -0.541 3.416 1.00 1.48 N ATOM 1132 CA ARG A 81 4.946 0.030 3.961 1.00 1.84 C ATOM 1133 C ARG A 81 4.092 0.589 2.821 1.00 2.04 C ATOM 1134 O ARG A 81 4.264 1.713 2.395 1.00 2.57 O ATOM 1135 CB ARG A 81 5.280 1.154 4.945 1.00 2.24 C ATOM 1136 CG ARG A 81 4.052 2.046 5.137 1.00 2.95 C ATOM 1137 CD ARG A 81 4.047 2.608 6.560 1.00 4.04 C ATOM 1138 NE ARG A 81 3.080 3.740 6.643 1.00 4.81 N ATOM 1139 CZ ARG A 81 2.687 4.177 7.808 1.00 5.14 C ATOM 1140 NH1 ARG A 81 3.140 3.624 8.900 1.00 4.94 N ATOM 1141 NH2 ARG A 81 1.841 5.169 7.881 1.00 6.01 N ATOM 0 H ARG A 81 6.684 0.036 2.722 1.00 1.48 H new ATOM 0 HA ARG A 81 4.389 -0.755 4.474 1.00 1.84 H new ATOM 0 HB2 ARG A 81 5.591 0.734 5.902 1.00 2.24 H new ATOM 0 HB3 ARG A 81 6.116 1.744 4.569 1.00 2.24 H new ATOM 0 HG2 ARG A 81 4.064 2.861 4.413 1.00 2.95 H new ATOM 0 HG3 ARG A 81 3.142 1.474 4.957 1.00 2.95 H new ATOM 0 HD2 ARG A 81 3.772 1.828 7.270 1.00 4.04 H new ATOM 0 HD3 ARG A 81 5.046 2.948 6.832 1.00 4.04 H new ATOM 0 HE ARG A 81 2.726 4.172 5.790 1.00 4.81 H new ATOM 0 HH11 ARG A 81 3.802 2.850 8.843 1.00 4.94 H new ATOM 0 HH12 ARG A 81 2.832 3.966 9.810 1.00 4.94 H new ATOM 0 HH21 ARG A 81 1.488 5.602 7.028 1.00 6.01 H new ATOM 0 HH22 ARG A 81 1.533 5.511 8.791 1.00 6.01 H new ATOM 1155 N VAL A 82 3.164 -0.187 2.330 1.00 2.00 N ATOM 1156 CA VAL A 82 2.292 0.295 1.227 1.00 2.41 C ATOM 1157 C VAL A 82 0.951 0.745 1.814 1.00 1.99 C ATOM 1158 O VAL A 82 0.492 0.212 2.806 1.00 1.85 O ATOM 1159 CB VAL A 82 2.063 -0.842 0.231 1.00 3.05 C ATOM 1160 CG1 VAL A 82 3.249 -0.928 -0.730 1.00 3.76 C ATOM 1161 CG2 VAL A 82 1.925 -2.163 0.989 1.00 3.57 C ATOM 0 H VAL A 82 2.974 -1.137 2.648 1.00 2.00 H new ATOM 0 HA VAL A 82 2.766 1.132 0.715 1.00 2.41 H new ATOM 0 HB VAL A 82 1.152 -0.650 -0.335 1.00 3.05 H new ATOM 0 HG11 VAL A 82 3.084 -1.739 -1.439 1.00 3.76 H new ATOM 0 HG12 VAL A 82 3.348 0.013 -1.271 1.00 3.76 H new ATOM 0 HG13 VAL A 82 4.162 -1.119 -0.165 1.00 3.76 H new ATOM 0 HG21 VAL A 82 1.762 -2.974 0.280 1.00 3.57 H new ATOM 0 HG22 VAL A 82 2.836 -2.354 1.556 1.00 3.57 H new ATOM 0 HG23 VAL A 82 1.078 -2.103 1.673 1.00 3.57 H new ATOM 1171 N LEU A 83 0.323 1.723 1.222 1.00 2.02 N ATOM 1172 CA LEU A 83 -0.981 2.196 1.767 1.00 1.82 C ATOM 1173 C LEU A 83 -1.949 2.498 0.620 1.00 1.64 C ATOM 1174 O LEU A 83 -1.547 2.825 -0.478 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.757 3.467 2.588 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.626 4.668 1.648 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.983 5.361 1.513 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.395 5.653 2.221 1.00 1.42 C ATOM 0 H LEU A 83 0.653 2.212 0.390 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.407 1.418 2.400 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.589 3.619 3.276 1.00 2.29 H new ATOM 0 HB3 LEU A 83 0.143 3.367 3.194 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.293 4.328 0.667 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -1.890 6.216 0.844 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.711 4.659 1.106 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -2.317 5.702 2.493 1.00 1.99 H new ATOM 0 HD21 LEU A 83 0.490 6.509 1.553 1.00 1.42 H new ATOM 0 HD22 LEU A 83 0.062 5.993 3.201 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.362 5.160 2.318 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.227 2.393 0.873 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.226 2.678 -0.197 1.00 1.53 C ATOM 1192 C VAL A 84 -5.504 3.234 0.436 1.00 1.46 C ATOM 1193 O VAL A 84 -5.772 3.022 1.601 1.00 1.51 O ATOM 1194 CB VAL A 84 -4.561 1.390 -0.951 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -4.939 1.730 -2.394 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.344 0.461 -0.952 1.00 1.84 C ATOM 0 H VAL A 84 -3.621 2.122 1.774 1.00 1.54 H new ATOM 0 HA VAL A 84 -3.808 3.407 -0.891 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.397 0.891 -0.460 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.178 0.813 -2.933 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -5.807 2.390 -2.397 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.102 2.230 -2.881 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -3.586 -0.456 -1.490 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -2.507 0.959 -1.442 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.071 0.218 0.075 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.295 3.941 -0.324 1.00 1.45 N ATOM 1207 CA GLY A 85 -7.555 4.505 0.237 1.00 1.49 C ATOM 1208 C GLY A 85 -8.168 5.488 -0.763 1.00 1.17 C ATOM 1209 O GLY A 85 -8.107 5.290 -1.960 1.00 1.15 O ATOM 0 H GLY A 85 -6.124 4.152 -1.307 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.260 3.702 0.452 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.350 5.011 1.181 1.00 1.49 H new ATOM 1213 N GLU A 86 -8.759 6.547 -0.280 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.376 7.543 -1.201 1.00 1.19 C ATOM 1215 C GLU A 86 -8.340 8.608 -1.566 1.00 1.21 C ATOM 1216 O GLU A 86 -7.192 8.529 -1.177 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.568 8.207 -0.510 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.125 8.774 0.841 1.00 1.42 C ATOM 1219 CD GLU A 86 -10.682 10.190 1.008 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -11.826 10.402 0.645 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -9.951 11.037 1.496 1.00 2.54 O ATOM 0 H GLU A 86 -8.841 6.765 0.713 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.716 7.040 -2.106 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -10.968 9.004 -1.137 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.369 7.482 -0.367 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -10.479 8.135 1.650 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -9.037 8.790 0.901 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.735 9.603 -2.311 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.772 10.671 -2.699 1.00 1.38 C ATOM 1230 C GLY A 87 -8.340 12.039 -2.315 1.00 1.20 C ATOM 1231 O GLY A 87 -8.660 12.849 -3.161 1.00 1.26 O ATOM 0 H GLY A 87 -9.683 9.723 -2.668 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.816 10.510 -2.201 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.584 10.632 -3.772 1.00 1.38 H new ATOM 1235 N GLY A 88 -8.467 12.303 -1.043 1.00 1.34 N ATOM 1236 CA GLY A 88 -9.014 13.618 -0.606 1.00 1.52 C ATOM 1237 C GLY A 88 -10.402 13.418 0.005 1.00 2.23 C ATOM 1238 O GLY A 88 -10.998 12.366 -0.114 1.00 2.54 O ATOM 0 H GLY A 88 -8.216 11.665 -0.288 1.00 1.34 H new ATOM 0 HA2 GLY A 88 -8.347 14.077 0.124 1.00 1.52 H new ATOM 0 HA3 GLY A 88 -9.074 14.299 -1.455 1.00 1.52 H new ATOM 1242 N GLY A 89 -10.922 14.419 0.660 1.00 2.99 N ATOM 1243 CA GLY A 89 -12.272 14.285 1.278 1.00 4.09 C ATOM 1244 C GLY A 89 -12.150 13.559 2.619 1.00 4.14 C ATOM 1245 O GLY A 89 -12.895 13.814 3.544 1.00 4.12 O ATOM 0 H GLY A 89 -10.471 15.324 0.794 1.00 2.99 H new ATOM 0 HA2 GLY A 89 -12.716 15.270 1.425 1.00 4.09 H new ATOM 0 HA3 GLY A 89 -12.935 13.732 0.612 1.00 4.09 H new ATOM 1249 N ALA A 90 -11.215 12.656 2.733 1.00 4.51 N ATOM 1250 CA ALA A 90 -11.047 11.915 4.015 1.00 4.73 C ATOM 1251 C ALA A 90 -9.775 11.067 3.951 1.00 4.02 C ATOM 1252 O ALA A 90 -9.827 9.861 3.819 1.00 4.41 O ATOM 1253 CB ALA A 90 -12.256 11.005 4.240 1.00 5.13 C ATOM 0 H ALA A 90 -10.560 12.399 1.994 1.00 4.51 H new ATOM 0 HA ALA A 90 -10.969 12.625 4.838 1.00 4.73 H new ATOM 0 HB1 ALA A 90 -12.134 10.463 5.178 1.00 5.13 H new ATOM 0 HB2 ALA A 90 -13.162 11.609 4.286 1.00 5.13 H new ATOM 0 HB3 ALA A 90 -12.335 10.294 3.417 1.00 5.13 H new ATOM 1259 N TYR A 91 -8.631 11.689 4.042 1.00 3.40 N ATOM 1260 CA TYR A 91 -7.358 10.918 3.986 1.00 3.18 C ATOM 1261 C TYR A 91 -7.539 9.583 4.711 1.00 2.90 C ATOM 1262 O TYR A 91 -6.845 8.622 4.442 1.00 3.43 O ATOM 1263 CB TYR A 91 -6.245 11.720 4.666 1.00 4.00 C ATOM 1264 CG TYR A 91 -6.507 13.196 4.485 1.00 4.34 C ATOM 1265 CD1 TYR A 91 -6.355 13.785 3.225 1.00 4.40 C ATOM 1266 CD2 TYR A 91 -6.901 13.976 5.579 1.00 4.89 C ATOM 1267 CE1 TYR A 91 -6.597 15.154 3.057 1.00 4.78 C ATOM 1268 CE2 TYR A 91 -7.143 15.344 5.412 1.00 5.40 C ATOM 1269 CZ TYR A 91 -6.991 15.934 4.151 1.00 5.25 C ATOM 1270 OH TYR A 91 -7.230 17.282 3.986 1.00 5.79 O ATOM 0 H TYR A 91 -8.524 12.697 4.153 1.00 3.40 H new ATOM 0 HA TYR A 91 -7.090 10.734 2.946 1.00 3.18 H new ATOM 0 HB2 TYR A 91 -6.201 11.475 5.727 1.00 4.00 H new ATOM 0 HB3 TYR A 91 -5.278 11.456 4.238 1.00 4.00 H new ATOM 0 HD1 TYR A 91 -6.051 13.183 2.381 1.00 4.40 H new ATOM 0 HD2 TYR A 91 -7.018 13.522 6.552 1.00 4.89 H new ATOM 0 HE1 TYR A 91 -6.480 15.608 2.084 1.00 4.78 H new ATOM 0 HE2 TYR A 91 -7.447 15.945 6.256 1.00 5.40 H new ATOM 0 HH TYR A 91 -7.496 17.675 4.844 1.00 5.79 H new ATOM 1280 N ARG A 92 -8.465 9.514 5.628 1.00 2.28 N ATOM 1281 CA ARG A 92 -8.688 8.241 6.368 1.00 2.12 C ATOM 1282 C ARG A 92 -8.643 7.067 5.387 1.00 1.84 C ATOM 1283 O ARG A 92 -9.427 6.987 4.462 1.00 2.05 O ATOM 1284 CB ARG A 92 -10.057 8.281 7.051 1.00 2.02 C ATOM 1285 CG ARG A 92 -9.880 8.656 8.525 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.213 8.487 9.256 1.00 3.19 C ATOM 1287 NE ARG A 92 -11.512 9.714 10.054 1.00 4.00 N ATOM 1288 CZ ARG A 92 -10.576 10.301 10.752 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -9.382 9.779 10.826 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -10.843 11.403 11.397 1.00 5.74 N ATOM 0 H ARG A 92 -9.077 10.285 5.896 1.00 2.28 H new ATOM 0 HA ARG A 92 -7.909 8.117 7.121 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -10.702 9.006 6.555 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -10.546 7.310 6.968 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -9.119 8.025 8.983 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -9.534 9.686 8.611 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -12.012 8.306 8.537 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -11.171 7.617 9.911 1.00 3.19 H new ATOM 0 HE ARG A 92 -12.457 10.098 10.054 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -9.175 8.908 10.337 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -8.656 10.242 11.372 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -11.780 11.804 11.356 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -10.115 11.864 11.943 1.00 5.74 H new ATOM 1304 N THR A 93 -7.730 6.156 5.581 1.00 1.67 N ATOM 1305 CA THR A 93 -7.635 4.988 4.659 1.00 1.74 C ATOM 1306 C THR A 93 -7.806 3.689 5.444 1.00 1.95 C ATOM 1307 O THR A 93 -7.790 3.673 6.660 1.00 2.27 O ATOM 1308 CB THR A 93 -6.266 4.979 3.977 1.00 1.70 C ATOM 1309 OG1 THR A 93 -5.881 3.637 3.720 1.00 2.15 O ATOM 1310 CG2 THR A 93 -5.232 5.637 4.891 1.00 1.74 C ATOM 0 H THR A 93 -7.046 6.169 6.337 1.00 1.67 H new ATOM 0 HA THR A 93 -8.422 5.068 3.909 1.00 1.74 H new ATOM 0 HB THR A 93 -6.323 5.532 3.040 1.00 1.70 H new ATOM 0 HG1 THR A 93 -5.622 3.545 2.779 1.00 2.15 H new ATOM 0 HG21 THR A 93 -4.258 5.629 4.403 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.528 6.666 5.094 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.172 5.085 5.829 1.00 1.74 H new ATOM 1318 N ALA A 94 -7.959 2.595 4.752 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.120 1.287 5.442 1.00 2.71 C ATOM 1320 C ALA A 94 -7.043 0.325 4.937 1.00 2.70 C ATOM 1321 O ALA A 94 -6.777 -0.696 5.538 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.504 0.712 5.135 1.00 3.28 C ATOM 0 H ALA A 94 -7.979 2.551 3.733 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.020 1.423 6.519 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.620 -0.246 5.641 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.271 1.403 5.485 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.608 0.569 4.059 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.419 0.646 3.835 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.360 -0.248 3.292 1.00 2.32 C ATOM 1330 C PHE A 95 -4.007 0.169 3.869 1.00 1.89 C ATOM 1331 O PHE A 95 -2.997 0.131 3.195 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.316 -0.109 1.772 1.00 2.74 C ATOM 1333 CG PHE A 95 -4.888 -1.416 1.146 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -3.966 -2.243 1.797 1.00 3.27 C ATOM 1335 CD2 PHE A 95 -5.416 -1.797 -0.094 1.00 3.34 C ATOM 1336 CE1 PHE A 95 -3.572 -3.452 1.209 1.00 3.55 C ATOM 1337 CE2 PHE A 95 -5.023 -3.004 -0.680 1.00 3.65 C ATOM 1338 CZ PHE A 95 -4.101 -3.832 -0.030 1.00 3.60 C ATOM 0 H PHE A 95 -6.598 1.489 3.289 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.577 -1.281 3.563 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.298 0.179 1.396 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.622 0.683 1.491 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.558 -1.949 2.753 1.00 3.27 H new ATOM 0 HD2 PHE A 95 -6.127 -1.158 -0.598 1.00 3.34 H new ATOM 0 HE1 PHE A 95 -2.860 -4.091 1.711 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -5.432 -3.298 -1.636 1.00 3.65 H new ATOM 0 HZ PHE A 95 -3.798 -4.764 -0.484 1.00 3.60 H new ATOM 1348 N GLU A 96 -3.976 0.575 5.107 1.00 1.92 N ATOM 1349 CA GLU A 96 -2.682 0.999 5.712 1.00 2.11 C ATOM 1350 C GLU A 96 -1.848 -0.237 6.052 1.00 1.99 C ATOM 1351 O GLU A 96 -2.039 -0.865 7.074 1.00 2.04 O ATOM 1352 CB GLU A 96 -2.952 1.802 6.987 1.00 2.46 C ATOM 1353 CG GLU A 96 -2.980 3.295 6.655 1.00 3.05 C ATOM 1354 CD GLU A 96 -3.496 4.077 7.864 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -3.407 3.556 8.964 1.00 4.04 O ATOM 1356 OE2 GLU A 96 -3.972 5.184 7.670 1.00 4.60 O ATOM 0 H GLU A 96 -4.786 0.632 5.724 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.136 1.620 5.002 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -3.903 1.499 7.426 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -2.179 1.598 7.728 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -1.981 3.637 6.387 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -3.621 3.474 5.792 1.00 3.05 H new ATOM 1363 N GLN A 97 -0.925 -0.593 5.201 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.079 -1.789 5.473 1.00 2.35 C ATOM 1365 C GLN A 97 1.324 -1.329 5.882 1.00 2.76 C ATOM 1366 O GLN A 97 1.884 -0.422 5.298 1.00 3.44 O ATOM 1367 CB GLN A 97 -0.018 -2.654 4.207 1.00 2.59 C ATOM 1368 CG GLN A 97 1.408 -3.160 3.965 1.00 2.67 C ATOM 1369 CD GLN A 97 1.889 -3.949 5.184 1.00 2.83 C ATOM 1370 OE1 GLN A 97 3.041 -4.327 5.259 1.00 2.75 O ATOM 1371 NE2 GLN A 97 1.050 -4.219 6.146 1.00 3.46 N ATOM 0 H GLN A 97 -0.720 -0.107 4.328 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.504 -2.380 6.285 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -0.698 -3.500 4.306 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -0.354 -2.074 3.348 1.00 2.59 H new ATOM 0 HG2 GLN A 97 1.434 -3.792 3.077 1.00 2.67 H new ATOM 0 HG3 GLN A 97 2.076 -2.319 3.777 1.00 2.67 H new ATOM 0 HE21 GLN A 97 0.083 -3.902 6.083 1.00 3.46 H new ATOM 0 HE22 GLN A 97 1.361 -4.747 6.961 1.00 3.46 H new ATOM 1380 N GLY A 98 1.895 -1.942 6.883 1.00 2.66 N ATOM 1381 CA GLY A 98 3.257 -1.532 7.327 1.00 3.12 C ATOM 1382 C GLY A 98 4.107 -2.774 7.603 1.00 2.94 C ATOM 1383 O GLY A 98 5.259 -2.678 7.979 1.00 3.67 O ATOM 0 H GLY A 98 1.478 -2.708 7.412 1.00 2.66 H new ATOM 0 HA2 GLY A 98 3.730 -0.919 6.560 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.188 -0.920 8.226 1.00 3.12 H new ATOM 1387 N SER A 99 3.550 -3.941 7.426 1.00 2.31 N ATOM 1388 CA SER A 99 4.325 -5.184 7.684 1.00 2.54 C ATOM 1389 C SER A 99 4.350 -6.050 6.422 1.00 2.05 C ATOM 1390 O SER A 99 3.839 -7.152 6.407 1.00 1.87 O ATOM 1391 CB SER A 99 3.659 -5.959 8.819 1.00 3.04 C ATOM 1392 OG SER A 99 4.220 -5.551 10.060 1.00 3.79 O ATOM 0 H SER A 99 2.590 -4.086 7.113 1.00 2.31 H new ATOM 0 HA SER A 99 5.347 -4.926 7.961 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.584 -5.778 8.816 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.803 -7.030 8.677 1.00 3.04 H new ATOM 0 HG SER A 99 3.793 -6.046 10.790 1.00 3.79 H new ATOM 1398 N ALA A 100 4.940 -5.565 5.363 1.00 1.96 N ATOM 1399 CA ALA A 100 4.994 -6.370 4.110 1.00 1.63 C ATOM 1400 C ALA A 100 6.444 -6.769 3.821 1.00 1.41 C ATOM 1401 O ALA A 100 7.201 -6.008 3.253 1.00 1.39 O ATOM 1402 CB ALA A 100 4.451 -5.536 2.947 1.00 1.76 C ATOM 0 H ALA A 100 5.386 -4.649 5.312 1.00 1.96 H new ATOM 0 HA ALA A 100 4.388 -7.269 4.227 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.490 -6.123 2.029 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.419 -5.252 3.153 1.00 1.76 H new ATOM 0 HB3 ALA A 100 5.057 -4.638 2.829 1.00 1.76 H new ATOM 1408 N PRO A 101 6.831 -7.955 4.216 1.00 1.67 N ATOM 1409 CA PRO A 101 8.214 -8.464 4.004 1.00 1.70 C ATOM 1410 C PRO A 101 8.433 -8.998 2.585 1.00 1.06 C ATOM 1411 O PRO A 101 7.709 -9.853 2.113 1.00 1.45 O ATOM 1412 CB PRO A 101 8.337 -9.593 5.025 1.00 2.69 C ATOM 1413 CG PRO A 101 6.946 -10.098 5.232 1.00 2.97 C ATOM 1414 CD PRO A 101 5.990 -8.944 4.911 1.00 2.35 C ATOM 0 HA PRO A 101 8.958 -7.677 4.126 1.00 1.70 H new ATOM 0 HB2 PRO A 101 8.991 -10.384 4.658 1.00 2.69 H new ATOM 0 HB3 PRO A 101 8.766 -9.232 5.959 1.00 2.69 H new ATOM 0 HG2 PRO A 101 6.747 -10.953 4.586 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.809 -10.436 6.259 1.00 2.97 H new ATOM 0 HD2 PRO A 101 5.164 -9.276 4.282 1.00 2.35 H new ATOM 0 HD3 PRO A 101 5.552 -8.526 5.818 1.00 2.35 H new ATOM 1422 N LEU A 102 9.431 -8.505 1.905 1.00 0.99 N ATOM 1423 CA LEU A 102 9.702 -8.987 0.521 1.00 1.10 C ATOM 1424 C LEU A 102 11.198 -9.278 0.371 1.00 0.93 C ATOM 1425 O LEU A 102 12.027 -8.652 1.001 1.00 1.33 O ATOM 1426 CB LEU A 102 9.287 -7.914 -0.489 1.00 2.00 C ATOM 1427 CG LEU A 102 7.760 -7.845 -0.561 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.343 -6.696 -1.480 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.218 -9.164 -1.115 1.00 2.31 C ATOM 0 H LEU A 102 10.071 -7.789 2.248 1.00 0.99 H new ATOM 0 HA LEU A 102 9.131 -9.896 0.335 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.692 -6.946 -0.194 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.698 -8.146 -1.472 1.00 2.00 H new ATOM 0 HG LEU A 102 7.356 -7.675 0.437 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.255 -6.647 -1.531 1.00 3.06 H new ATOM 0 HD12 LEU A 102 7.730 -5.756 -1.086 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.746 -6.864 -2.479 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.130 -9.117 -1.167 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.622 -9.333 -2.113 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.515 -9.983 -0.460 1.00 2.31 H new ATOM 1441 N THR A 103 11.548 -10.225 -0.456 1.00 1.21 N ATOM 1442 CA THR A 103 12.989 -10.554 -0.642 1.00 1.09 C ATOM 1443 C THR A 103 13.282 -10.751 -2.131 1.00 1.38 C ATOM 1444 O THR A 103 12.431 -10.548 -2.973 1.00 1.81 O ATOM 1445 CB THR A 103 13.321 -11.841 0.118 1.00 1.79 C ATOM 1446 OG1 THR A 103 14.617 -12.287 -0.255 1.00 2.04 O ATOM 1447 CG2 THR A 103 12.290 -12.918 -0.225 1.00 2.34 C ATOM 0 H THR A 103 10.899 -10.784 -1.010 1.00 1.21 H new ATOM 0 HA THR A 103 13.599 -9.737 -0.258 1.00 1.09 H new ATOM 0 HB THR A 103 13.297 -11.648 1.190 1.00 1.79 H new ATOM 0 HG1 THR A 103 15.201 -12.291 0.532 1.00 2.04 H new ATOM 0 HG21 THR A 103 12.527 -13.834 0.316 1.00 2.34 H new ATOM 0 HG22 THR A 103 11.296 -12.574 0.061 1.00 2.34 H new ATOM 0 HG23 THR A 103 12.312 -13.114 -1.297 1.00 2.34 H new ATOM 1455 N GLY A 104 14.482 -11.146 -2.461 1.00 1.62 N ATOM 1456 CA GLY A 104 14.828 -11.355 -3.895 1.00 2.17 C ATOM 1457 C GLY A 104 13.964 -12.477 -4.472 1.00 1.60 C ATOM 1458 O GLY A 104 14.419 -13.283 -5.259 1.00 1.83 O ATOM 0 H GLY A 104 15.236 -11.333 -1.800 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.669 -10.434 -4.456 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.884 -11.609 -3.992 1.00 2.17 H new ATOM 1462 N GLU A 105 12.718 -12.536 -4.088 1.00 1.22 N ATOM 1463 CA GLU A 105 11.825 -13.606 -4.615 1.00 1.09 C ATOM 1464 C GLU A 105 10.683 -12.969 -5.409 1.00 1.06 C ATOM 1465 O GLU A 105 9.576 -12.839 -4.924 1.00 1.08 O ATOM 1466 CB GLU A 105 11.250 -14.411 -3.449 1.00 1.40 C ATOM 1467 CG GLU A 105 10.380 -15.546 -3.991 1.00 1.95 C ATOM 1468 CD GLU A 105 11.270 -16.714 -4.418 1.00 2.43 C ATOM 1469 OE1 GLU A 105 12.209 -17.011 -3.698 1.00 3.02 O ATOM 1470 OE2 GLU A 105 10.999 -17.291 -5.458 1.00 2.75 O ATOM 0 H GLU A 105 12.280 -11.889 -3.432 1.00 1.22 H new ATOM 0 HA GLU A 105 12.395 -14.269 -5.266 1.00 1.09 H new ATOM 0 HB2 GLU A 105 12.058 -14.817 -2.840 1.00 1.40 H new ATOM 0 HB3 GLU A 105 10.659 -13.763 -2.802 1.00 1.40 H new ATOM 0 HG2 GLU A 105 9.674 -15.873 -3.228 1.00 1.95 H new ATOM 0 HG3 GLU A 105 9.792 -15.194 -4.839 1.00 1.95 H new ATOM 1477 N PRO A 106 10.956 -12.576 -6.623 1.00 1.08 N ATOM 1478 CA PRO A 106 9.944 -11.939 -7.512 1.00 1.12 C ATOM 1479 C PRO A 106 8.615 -12.699 -7.512 1.00 1.24 C ATOM 1480 O PRO A 106 8.549 -13.854 -7.883 1.00 1.42 O ATOM 1481 CB PRO A 106 10.592 -11.993 -8.896 1.00 1.26 C ATOM 1482 CG PRO A 106 12.063 -12.031 -8.644 1.00 1.20 C ATOM 1483 CD PRO A 106 12.266 -12.698 -7.282 1.00 1.13 C ATOM 0 HA PRO A 106 9.697 -10.928 -7.187 1.00 1.12 H new ATOM 0 HB2 PRO A 106 10.265 -12.874 -9.449 1.00 1.26 H new ATOM 0 HB3 PRO A 106 10.318 -11.123 -9.492 1.00 1.26 H new ATOM 0 HG2 PRO A 106 12.574 -12.590 -9.427 1.00 1.20 H new ATOM 0 HG3 PRO A 106 12.481 -11.024 -8.647 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.562 -13.741 -7.389 1.00 1.13 H new ATOM 0 HD3 PRO A 106 13.049 -12.202 -6.708 1.00 1.13 H new ATOM 1491 N ALA A 107 7.556 -12.059 -7.098 1.00 1.17 N ATOM 1492 CA ALA A 107 6.234 -12.745 -7.074 1.00 1.31 C ATOM 1493 C ALA A 107 5.144 -11.744 -6.687 1.00 1.24 C ATOM 1494 O ALA A 107 5.422 -10.635 -6.275 1.00 1.04 O ATOM 1495 CB ALA A 107 6.269 -13.882 -6.051 1.00 1.37 C ATOM 0 H ALA A 107 7.549 -11.091 -6.776 1.00 1.17 H new ATOM 0 HA ALA A 107 6.018 -13.151 -8.062 1.00 1.31 H new ATOM 0 HB1 ALA A 107 5.302 -14.385 -6.033 1.00 1.37 H new ATOM 0 HB2 ALA A 107 7.044 -14.597 -6.328 1.00 1.37 H new ATOM 0 HB3 ALA A 107 6.486 -13.476 -5.063 1.00 1.37 H new ATOM 1501 N THR A 108 3.904 -12.128 -6.818 1.00 1.45 N ATOM 1502 CA THR A 108 2.794 -11.202 -6.459 1.00 1.43 C ATOM 1503 C THR A 108 2.407 -11.398 -4.993 1.00 1.38 C ATOM 1504 O THR A 108 2.349 -12.508 -4.502 1.00 1.47 O ATOM 1505 CB THR A 108 1.571 -11.504 -7.331 1.00 1.60 C ATOM 1506 OG1 THR A 108 1.572 -12.882 -7.676 1.00 1.72 O ATOM 1507 CG2 THR A 108 1.609 -10.661 -8.606 1.00 1.66 C ATOM 0 H THR A 108 3.612 -13.044 -7.159 1.00 1.45 H new ATOM 0 HA THR A 108 3.126 -10.176 -6.620 1.00 1.43 H new ATOM 0 HB THR A 108 0.666 -11.261 -6.774 1.00 1.60 H new ATOM 0 HG1 THR A 108 2.143 -13.023 -8.460 1.00 1.72 H new ATOM 0 HG21 THR A 108 0.734 -10.885 -9.217 1.00 1.66 H new ATOM 0 HG22 THR A 108 1.606 -9.603 -8.343 1.00 1.66 H new ATOM 0 HG23 THR A 108 2.513 -10.893 -9.169 1.00 1.66 H new ATOM 1515 N ARG A 109 2.106 -10.335 -4.298 1.00 1.33 N ATOM 1516 CA ARG A 109 1.684 -10.480 -2.879 1.00 1.32 C ATOM 1517 C ARG A 109 0.209 -10.103 -2.793 1.00 1.37 C ATOM 1518 O ARG A 109 -0.227 -9.143 -3.397 1.00 1.49 O ATOM 1519 CB ARG A 109 2.494 -9.563 -1.972 1.00 1.27 C ATOM 1520 CG ARG A 109 3.734 -10.302 -1.467 1.00 1.97 C ATOM 1521 CD ARG A 109 4.671 -10.594 -2.640 1.00 2.63 C ATOM 1522 NE ARG A 109 4.884 -9.349 -3.429 1.00 3.48 N ATOM 1523 CZ ARG A 109 5.873 -9.275 -4.276 1.00 3.74 C ATOM 1524 NH1 ARG A 109 6.685 -10.288 -4.421 1.00 3.39 N ATOM 1525 NH2 ARG A 109 6.054 -8.189 -4.975 1.00 4.70 N ATOM 0 H ARG A 109 2.134 -9.378 -4.650 1.00 1.33 H new ATOM 0 HA ARG A 109 1.849 -11.507 -2.552 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.790 -8.666 -2.516 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.884 -9.238 -1.129 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.249 -9.700 -0.718 1.00 1.97 H new ATOM 0 HG3 ARG A 109 3.442 -11.233 -0.981 1.00 1.97 H new ATOM 0 HD2 ARG A 109 5.625 -10.971 -2.272 1.00 2.63 H new ATOM 0 HD3 ARG A 109 4.245 -11.371 -3.275 1.00 2.63 H new ATOM 0 HE ARG A 109 4.256 -8.554 -3.307 1.00 3.48 H new ATOM 0 HH11 ARG A 109 6.545 -11.136 -3.872 1.00 3.39 H new ATOM 0 HH12 ARG A 109 7.459 -10.231 -5.083 1.00 3.39 H new ATOM 0 HH21 ARG A 109 5.422 -7.397 -4.859 1.00 4.70 H new ATOM 0 HH22 ARG A 109 6.828 -8.132 -5.637 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.559 -10.857 -2.064 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.015 -10.559 -1.968 1.00 1.51 C ATOM 1541 C GLU A 110 -2.383 -10.071 -0.565 1.00 1.50 C ATOM 1542 O GLU A 110 -2.441 -10.840 0.375 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.806 -11.832 -2.278 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.283 -12.456 -3.572 1.00 2.12 C ATOM 1545 CD GLU A 110 -1.220 -13.506 -3.240 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -0.372 -13.220 -2.412 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -1.273 -14.577 -3.820 1.00 2.69 O ATOM 0 H GLU A 110 -0.244 -11.667 -1.530 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.258 -9.774 -2.684 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -2.711 -12.541 -1.456 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.866 -11.599 -2.377 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -3.103 -12.915 -4.124 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.859 -11.684 -4.215 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.666 -8.806 -0.423 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.069 -8.276 0.908 1.00 1.81 C ATOM 1556 C TYR A 111 -4.553 -7.914 0.848 1.00 2.14 C ATOM 1557 O TYR A 111 -4.948 -6.983 0.175 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.260 -7.022 1.258 1.00 1.87 C ATOM 1559 CG TYR A 111 -0.773 -7.262 1.102 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.223 -8.541 1.272 1.00 1.82 C ATOM 1561 CD2 TYR A 111 0.064 -6.181 0.792 1.00 2.76 C ATOM 1562 CE1 TYR A 111 1.157 -8.734 1.133 1.00 2.00 C ATOM 1563 CE2 TYR A 111 1.443 -6.376 0.654 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.989 -7.652 0.824 1.00 2.36 C ATOM 1565 OH TYR A 111 3.349 -7.845 0.688 1.00 2.67 O ATOM 0 H TYR A 111 -2.635 -8.116 -1.173 1.00 1.66 H new ATOM 0 HA TYR A 111 -2.883 -9.032 1.671 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.567 -6.198 0.614 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -2.476 -6.722 2.283 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -0.864 -9.377 1.510 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -0.356 -5.195 0.659 1.00 2.76 H new ATOM 0 HE1 TYR A 111 1.580 -9.719 1.264 1.00 2.00 H new ATOM 0 HE2 TYR A 111 2.085 -5.541 0.416 1.00 2.96 H new ATOM 0 HH TYR A 111 3.634 -8.584 1.265 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.381 -8.651 1.535 1.00 2.33 N ATOM 1576 CA ALA A 112 -6.837 -8.356 1.507 1.00 2.71 C ATOM 1577 C ALA A 112 -7.261 -7.717 2.830 1.00 2.50 C ATOM 1578 O ALA A 112 -6.654 -7.934 3.860 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.618 -9.655 1.296 1.00 3.41 C ATOM 0 H ALA A 112 -5.110 -9.445 2.115 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.048 -7.666 0.690 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.686 -9.438 1.276 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.322 -10.108 0.350 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.403 -10.345 2.112 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.302 -6.931 2.809 1.00 2.28 N ATOM 1586 CA PHE A 113 -8.769 -6.280 4.065 1.00 2.20 C ATOM 1587 C PHE A 113 -10.298 -6.271 4.091 1.00 1.67 C ATOM 1588 O PHE A 113 -10.946 -6.647 3.134 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.249 -4.842 4.127 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.329 -4.213 2.756 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -7.512 -4.682 1.721 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.222 -3.161 2.521 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -7.587 -4.098 0.450 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -9.297 -2.577 1.251 1.00 2.77 C ATOM 1595 CZ PHE A 113 -8.480 -3.046 0.216 1.00 2.64 C ATOM 0 H PHE A 113 -8.849 -6.712 1.977 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.390 -6.835 4.923 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -8.837 -4.263 4.839 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.219 -4.832 4.483 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -6.824 -5.494 1.902 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -9.853 -2.800 3.320 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -6.956 -4.459 -0.349 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -9.985 -1.765 1.070 1.00 2.77 H new ATOM 0 HZ PHE A 113 -8.539 -2.596 -0.764 1.00 2.64 H new ATOM 1605 N THR A 114 -10.879 -5.848 5.179 1.00 1.53 N ATOM 1606 CA THR A 114 -12.366 -5.819 5.268 1.00 1.47 C ATOM 1607 C THR A 114 -12.867 -4.390 5.048 1.00 1.85 C ATOM 1608 O THR A 114 -12.657 -3.517 5.867 1.00 2.23 O ATOM 1609 CB THR A 114 -12.798 -6.305 6.652 1.00 1.92 C ATOM 1610 OG1 THR A 114 -11.791 -5.980 7.601 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.003 -7.820 6.624 1.00 2.22 C ATOM 0 H THR A 114 -10.388 -5.521 6.011 1.00 1.53 H new ATOM 0 HA THR A 114 -12.789 -6.470 4.503 1.00 1.47 H new ATOM 0 HB THR A 114 -13.733 -5.820 6.931 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.067 -6.289 8.489 1.00 2.12 H new ATOM 0 HG21 THR A 114 -13.311 -8.164 7.611 1.00 2.22 H new ATOM 0 HG22 THR A 114 -13.775 -8.069 5.896 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.069 -8.308 6.344 1.00 2.22 H new ATOM 1619 N SER A 115 -13.530 -4.145 3.952 1.00 2.24 N ATOM 1620 CA SER A 115 -14.047 -2.774 3.684 1.00 2.93 C ATOM 1621 C SER A 115 -14.612 -2.183 4.978 1.00 3.67 C ATOM 1622 O SER A 115 -15.454 -2.774 5.625 1.00 4.11 O ATOM 1623 CB SER A 115 -15.151 -2.842 2.628 1.00 3.21 C ATOM 1624 OG SER A 115 -15.366 -1.545 2.090 1.00 4.06 O ATOM 0 H SER A 115 -13.736 -4.835 3.230 1.00 2.24 H new ATOM 0 HA SER A 115 -13.236 -2.143 3.319 1.00 2.93 H new ATOM 0 HB2 SER A 115 -14.870 -3.535 1.835 1.00 3.21 H new ATOM 0 HB3 SER A 115 -16.072 -3.222 3.071 1.00 3.21 H new ATOM 0 HG SER A 115 -14.793 -0.899 2.554 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.156 -1.022 5.361 1.00 3.92 N ATOM 1631 CA ASN A 116 -14.668 -0.397 6.612 1.00 4.70 C ATOM 1632 C ASN A 116 -15.283 0.966 6.288 1.00 4.40 C ATOM 1633 O ASN A 116 -16.204 1.414 6.942 1.00 4.82 O ATOM 1634 CB ASN A 116 -13.513 -0.214 7.600 1.00 5.27 C ATOM 1635 CG ASN A 116 -12.327 0.434 6.885 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -12.118 0.215 5.707 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -11.534 1.230 7.550 1.00 6.86 N ATOM 0 H ASN A 116 -13.451 -0.480 4.861 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.427 -1.041 7.055 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.831 0.408 8.436 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -13.219 -1.178 8.014 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -10.740 1.667 7.082 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -11.708 1.415 8.538 1.00 6.86 H new ATOM 1644 N LEU A 117 -14.780 1.631 5.284 1.00 3.81 N ATOM 1645 CA LEU A 117 -15.336 2.964 4.921 1.00 3.59 C ATOM 1646 C LEU A 117 -15.774 2.952 3.454 1.00 3.13 C ATOM 1647 O LEU A 117 -14.997 2.662 2.567 1.00 3.28 O ATOM 1648 CB LEU A 117 -14.263 4.036 5.123 1.00 3.83 C ATOM 1649 CG LEU A 117 -14.464 4.711 6.480 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -15.780 5.493 6.473 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -14.514 3.645 7.577 1.00 4.76 C ATOM 0 H LEU A 117 -14.008 1.308 4.700 1.00 3.81 H new ATOM 0 HA LEU A 117 -16.195 3.184 5.555 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -13.271 3.587 5.072 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -14.319 4.776 4.325 1.00 3.83 H new ATOM 0 HG LEU A 117 -13.636 5.394 6.671 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -15.923 5.974 7.441 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -15.748 6.252 5.692 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -16.608 4.810 6.282 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -14.657 4.125 8.545 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -15.342 2.963 7.384 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -13.578 3.086 7.584 1.00 4.76 H new ATOM 1663 N THR A 118 -17.013 3.267 3.193 1.00 3.12 N ATOM 1664 CA THR A 118 -17.499 3.275 1.785 1.00 3.08 C ATOM 1665 C THR A 118 -16.778 4.376 1.005 1.00 3.13 C ATOM 1666 O THR A 118 -16.914 5.547 1.296 1.00 3.70 O ATOM 1667 CB THR A 118 -19.006 3.542 1.771 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.353 4.348 2.888 1.00 4.06 O ATOM 1669 CG2 THR A 118 -19.763 2.215 1.842 1.00 4.04 C ATOM 0 H THR A 118 -17.710 3.519 3.894 1.00 3.12 H new ATOM 0 HA THR A 118 -17.296 2.309 1.322 1.00 3.08 H new ATOM 0 HB THR A 118 -19.274 4.061 0.851 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.318 4.521 2.879 1.00 4.06 H new ATOM 0 HG21 THR A 118 -20.836 2.407 1.832 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.497 1.598 0.984 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.497 1.693 2.761 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.011 4.008 0.015 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.281 5.035 -0.781 1.00 3.07 C ATOM 1679 C PHE A 119 -15.670 4.909 -2.256 1.00 2.72 C ATOM 1680 O PHE A 119 -14.948 4.342 -3.051 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.774 4.819 -0.632 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.297 5.468 0.647 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.411 6.854 0.812 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -12.742 4.684 1.664 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -12.970 7.455 1.998 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -12.300 5.285 2.849 1.00 5.33 C ATOM 1687 CZ PHE A 119 -12.414 6.672 3.015 1.00 5.44 C ATOM 0 H PHE A 119 -15.859 3.042 -0.276 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.544 6.029 -0.419 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.548 3.753 -0.618 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.248 5.245 -1.487 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -13.838 7.459 0.026 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -12.654 3.615 1.535 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -13.059 8.524 2.127 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -11.872 4.680 3.634 1.00 5.33 H new ATOM 0 HZ PHE A 119 -12.072 7.136 3.928 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.809 5.440 -2.612 1.00 2.96 N ATOM 1698 CA PRO A 120 -17.317 5.398 -4.013 1.00 2.86 C ATOM 1699 C PRO A 120 -16.325 6.020 -5.001 1.00 3.02 C ATOM 1700 O PRO A 120 -15.365 6.652 -4.610 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.611 6.216 -3.970 1.00 3.40 C ATOM 1702 CG PRO A 120 -19.016 6.266 -2.533 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.735 6.140 -1.711 1.00 3.80 C ATOM 0 HA PRO A 120 -17.469 4.374 -4.354 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.452 7.219 -4.366 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -19.387 5.752 -4.579 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -19.530 7.201 -2.308 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.708 5.457 -2.298 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -17.349 7.117 -1.420 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -17.902 5.577 -0.793 1.00 3.80 H new ATOM 1711 N PRO A 121 -16.562 5.841 -6.273 1.00 2.87 N ATOM 1712 CA PRO A 121 -15.682 6.391 -7.340 1.00 3.45 C ATOM 1713 C PRO A 121 -15.966 7.870 -7.616 1.00 3.18 C ATOM 1714 O PRO A 121 -15.169 8.564 -8.218 1.00 3.79 O ATOM 1715 CB PRO A 121 -16.034 5.541 -8.561 1.00 3.90 C ATOM 1716 CG PRO A 121 -17.449 5.110 -8.349 1.00 3.47 C ATOM 1717 CD PRO A 121 -17.696 5.093 -6.837 1.00 2.74 C ATOM 0 HA PRO A 121 -14.628 6.349 -7.066 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -15.932 6.115 -9.482 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -15.370 4.681 -8.646 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -18.138 5.795 -8.844 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -17.619 4.122 -8.778 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -18.647 5.562 -6.584 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -17.731 4.074 -6.451 1.00 2.74 H new ATOM 1725 N ASP A 122 -17.096 8.356 -7.180 1.00 2.63 N ATOM 1726 CA ASP A 122 -17.432 9.788 -7.417 1.00 2.65 C ATOM 1727 C ASP A 122 -17.419 10.541 -6.084 1.00 2.94 C ATOM 1728 O ASP A 122 -17.225 9.960 -5.035 1.00 3.74 O ATOM 1729 CB ASP A 122 -18.821 9.890 -8.047 1.00 2.79 C ATOM 1730 CG ASP A 122 -19.649 8.662 -7.661 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -20.286 8.705 -6.621 1.00 3.56 O ATOM 1732 OD2 ASP A 122 -19.631 7.700 -8.410 1.00 4.14 O ATOM 0 H ASP A 122 -17.801 7.823 -6.670 1.00 2.63 H new ATOM 0 HA ASP A 122 -16.696 10.227 -8.091 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -19.319 10.799 -7.709 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -18.736 9.958 -9.132 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.627 11.829 -6.118 1.00 2.81 N ATOM 1738 CA GLY A 123 -17.626 12.616 -4.852 1.00 3.57 C ATOM 1739 C GLY A 123 -16.303 13.372 -4.720 1.00 3.16 C ATOM 1740 O GLY A 123 -15.632 13.645 -5.695 1.00 3.47 O ATOM 0 H GLY A 123 -17.797 12.370 -6.966 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -18.460 13.318 -4.848 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -17.764 11.952 -3.999 1.00 3.57 H new ATOM 1744 N ASP A 124 -15.922 13.712 -3.518 1.00 2.78 N ATOM 1745 CA ASP A 124 -14.641 14.449 -3.324 1.00 2.58 C ATOM 1746 C ASP A 124 -13.605 13.950 -4.333 1.00 2.15 C ATOM 1747 O ASP A 124 -13.273 14.629 -5.284 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.126 14.211 -1.903 1.00 3.01 C ATOM 1749 CG ASP A 124 -14.250 12.726 -1.558 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -15.296 12.159 -1.828 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -13.295 12.179 -1.030 1.00 3.51 O ATOM 0 H ASP A 124 -16.442 13.511 -2.664 1.00 2.78 H new ATOM 0 HA ASP A 124 -14.810 15.515 -3.476 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -13.086 14.528 -1.824 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -14.697 14.809 -1.193 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.093 12.766 -4.135 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.080 12.225 -5.084 1.00 1.67 C ATOM 1758 C ALA A 125 -12.379 10.751 -5.363 1.00 1.39 C ATOM 1759 O ALA A 125 -12.916 10.049 -4.529 1.00 1.38 O ATOM 1760 CB ALA A 125 -10.685 12.354 -4.470 1.00 2.08 C ATOM 0 H ALA A 125 -13.332 12.151 -3.358 1.00 1.83 H new ATOM 0 HA ALA A 125 -12.120 12.787 -6.017 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -9.944 11.958 -5.164 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -10.471 13.404 -4.270 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -10.645 11.792 -3.537 1.00 2.08 H new ATOM 1766 N PRO A 126 -12.030 10.287 -6.533 1.00 1.26 N ATOM 1767 CA PRO A 126 -12.259 8.873 -6.942 1.00 1.14 C ATOM 1768 C PRO A 126 -11.326 7.901 -6.215 1.00 1.05 C ATOM 1769 O PRO A 126 -10.803 8.199 -5.160 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.964 8.874 -8.444 1.00 1.27 C ATOM 1771 CG PRO A 126 -11.049 10.031 -8.669 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.377 11.069 -7.595 1.00 1.39 C ATOM 0 HA PRO A 126 -13.268 8.541 -6.697 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -11.497 7.939 -8.753 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -12.881 8.980 -9.024 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -10.007 9.719 -8.600 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -11.191 10.448 -9.666 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.477 11.564 -7.230 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -12.036 11.848 -7.980 1.00 1.39 H new ATOM 1780 N GLY A 127 -11.113 6.739 -6.771 1.00 1.02 N ATOM 1781 CA GLY A 127 -10.215 5.749 -6.112 1.00 1.03 C ATOM 1782 C GLY A 127 -8.827 6.362 -5.927 1.00 1.09 C ATOM 1783 O GLY A 127 -8.447 7.284 -6.620 1.00 1.19 O ATOM 0 H GLY A 127 -11.523 6.433 -7.654 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.626 5.456 -5.146 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -10.147 4.845 -6.717 1.00 1.03 H new ATOM 1787 N GLN A 128 -8.063 5.854 -4.998 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.699 6.407 -4.775 1.00 1.26 C ATOM 1789 C GLN A 128 -5.750 5.277 -4.371 1.00 1.11 C ATOM 1790 O GLN A 128 -6.146 4.310 -3.753 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.746 7.456 -3.662 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.431 8.238 -3.640 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.603 7.814 -2.426 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -3.643 7.082 -2.557 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -4.938 8.246 -1.241 1.00 1.99 N ATOM 0 H GLN A 128 -8.325 5.081 -4.386 1.00 1.12 H new ATOM 0 HA GLN A 128 -6.342 6.871 -5.695 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.583 8.136 -3.824 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.910 6.972 -2.699 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.871 8.054 -4.557 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.633 9.308 -3.599 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -5.744 8.861 -1.131 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.393 7.969 -0.424 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.498 5.396 -4.715 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.516 4.336 -4.354 1.00 0.91 C ATOM 1806 C VAL A 129 -2.141 4.981 -4.187 1.00 0.88 C ATOM 1807 O VAL A 129 -1.842 5.984 -4.803 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.458 3.288 -5.467 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.460 2.192 -5.085 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.845 2.669 -5.656 1.00 0.89 C ATOM 0 H VAL A 129 -4.111 6.185 -5.233 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.817 3.852 -3.425 1.00 0.91 H new ATOM 0 HB VAL A 129 -3.140 3.762 -6.396 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.419 1.445 -5.878 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.472 2.631 -4.948 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -2.778 1.718 -4.156 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -4.805 1.922 -6.449 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.162 2.195 -4.727 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.557 3.448 -5.927 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.302 4.428 -3.356 1.00 0.78 N ATOM 1821 CA ALA A 130 0.041 5.041 -3.164 1.00 0.85 C ATOM 1822 C ALA A 130 0.997 4.037 -2.519 1.00 0.75 C ATOM 1823 O ALA A 130 1.002 3.852 -1.318 1.00 0.73 O ATOM 1824 CB ALA A 130 -0.094 6.267 -2.260 1.00 0.98 C ATOM 0 H ALA A 130 -1.485 3.588 -2.807 1.00 0.78 H new ATOM 0 HA ALA A 130 0.442 5.334 -4.134 1.00 0.85 H new ATOM 0 HB1 ALA A 130 0.886 6.722 -2.115 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.764 6.990 -2.725 1.00 0.98 H new ATOM 0 HB3 ALA A 130 -0.500 5.964 -1.295 1.00 0.98 H new ATOM 1830 N PHE A 131 1.821 3.401 -3.304 1.00 0.75 N ATOM 1831 CA PHE A 131 2.793 2.427 -2.732 1.00 0.70 C ATOM 1832 C PHE A 131 3.846 3.210 -1.948 1.00 0.77 C ATOM 1833 O PHE A 131 4.598 3.979 -2.512 1.00 0.99 O ATOM 1834 CB PHE A 131 3.471 1.654 -3.865 1.00 0.70 C ATOM 1835 CG PHE A 131 2.578 0.527 -4.332 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.194 0.588 -4.127 1.00 1.29 C ATOM 1837 CD2 PHE A 131 3.141 -0.581 -4.977 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.374 -0.460 -4.565 1.00 1.54 C ATOM 1839 CE2 PHE A 131 2.322 -1.628 -5.416 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.938 -1.567 -5.210 1.00 1.48 C ATOM 0 H PHE A 131 1.864 3.513 -4.317 1.00 0.75 H new ATOM 0 HA PHE A 131 2.280 1.721 -2.079 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.687 2.326 -4.696 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.425 1.254 -3.523 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.759 1.443 -3.631 1.00 1.29 H new ATOM 0 HD2 PHE A 131 4.208 -0.628 -5.136 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.693 -0.414 -4.405 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.757 -2.482 -5.913 1.00 1.73 H new ATOM 0 HZ PHE A 131 0.306 -2.374 -5.549 1.00 1.48 H new ATOM 1850 N HIS A 132 3.899 3.040 -0.656 1.00 0.82 N ATOM 1851 CA HIS A 132 4.897 3.801 0.148 1.00 0.96 C ATOM 1852 C HIS A 132 6.114 2.927 0.452 1.00 1.03 C ATOM 1853 O HIS A 132 5.991 1.791 0.867 1.00 1.41 O ATOM 1854 CB HIS A 132 4.252 4.247 1.463 1.00 1.41 C ATOM 1855 CG HIS A 132 3.808 5.678 1.344 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.588 6.478 2.454 1.00 1.70 N ATOM 1857 CD2 HIS A 132 3.535 6.468 0.253 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.203 7.689 2.012 1.00 1.96 C ATOM 1859 NE2 HIS A 132 3.154 7.737 0.679 1.00 2.32 N ATOM 0 H HIS A 132 3.298 2.411 -0.124 1.00 0.82 H new ATOM 0 HA HIS A 132 5.221 4.671 -0.422 1.00 0.96 H new ATOM 0 HB2 HIS A 132 3.400 3.609 1.697 1.00 1.41 H new ATOM 0 HB3 HIS A 132 4.963 4.143 2.283 1.00 1.41 H new ATOM 0 HD2 HIS A 132 3.605 6.152 -0.777 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.963 8.521 2.657 1.00 1.96 H new ATOM 0 HE2 HIS A 132 2.893 8.533 0.097 1.00 2.32 H new ATOM 1867 N LEU A 133 7.291 3.457 0.256 1.00 1.00 N ATOM 1868 CA LEU A 133 8.526 2.675 0.538 1.00 1.39 C ATOM 1869 C LEU A 133 9.439 3.495 1.454 1.00 1.62 C ATOM 1870 O LEU A 133 10.042 2.977 2.371 1.00 2.04 O ATOM 1871 CB LEU A 133 9.255 2.376 -0.774 1.00 1.58 C ATOM 1872 CG LEU A 133 8.312 1.648 -1.731 1.00 1.41 C ATOM 1873 CD1 LEU A 133 7.550 2.671 -2.576 1.00 1.52 C ATOM 1874 CD2 LEU A 133 9.126 0.735 -2.651 1.00 2.11 C ATOM 0 H LEU A 133 7.450 4.404 -0.089 1.00 1.00 H new ATOM 0 HA LEU A 133 8.262 1.736 1.025 1.00 1.39 H new ATOM 0 HB2 LEU A 133 9.604 3.304 -1.227 1.00 1.58 H new ATOM 0 HB3 LEU A 133 10.136 1.764 -0.581 1.00 1.58 H new ATOM 0 HG LEU A 133 7.603 1.051 -1.157 1.00 1.41 H new ATOM 0 HD11 LEU A 133 6.878 2.151 -3.258 1.00 1.52 H new ATOM 0 HD12 LEU A 133 6.971 3.323 -1.923 1.00 1.52 H new ATOM 0 HD13 LEU A 133 8.258 3.269 -3.150 1.00 1.52 H new ATOM 0 HD21 LEU A 133 8.455 0.215 -3.334 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.834 1.334 -3.224 1.00 2.11 H new ATOM 0 HD23 LEU A 133 9.670 0.005 -2.051 1.00 2.11 H new ATOM 1886 N GLY A 134 9.539 4.774 1.210 1.00 1.46 N ATOM 1887 CA GLY A 134 10.407 5.635 2.064 1.00 1.77 C ATOM 1888 C GLY A 134 11.830 5.076 2.081 1.00 1.08 C ATOM 1889 O GLY A 134 12.038 3.881 2.010 1.00 0.83 O ATOM 0 H GLY A 134 9.056 5.261 0.455 1.00 1.46 H new ATOM 0 HA2 GLY A 134 10.412 6.656 1.682 1.00 1.77 H new ATOM 0 HA3 GLY A 134 10.010 5.676 3.078 1.00 1.77 H new ATOM 1893 N LYS A 135 12.814 5.930 2.174 1.00 1.23 N ATOM 1894 CA LYS A 135 14.222 5.443 2.196 1.00 1.09 C ATOM 1895 C LYS A 135 14.731 5.415 3.637 1.00 1.32 C ATOM 1896 O LYS A 135 13.978 5.229 4.571 1.00 1.76 O ATOM 1897 CB LYS A 135 15.102 6.377 1.364 1.00 1.93 C ATOM 1898 CG LYS A 135 14.482 6.562 -0.023 1.00 2.37 C ATOM 1899 CD LYS A 135 13.265 7.485 0.076 1.00 3.36 C ATOM 1900 CE LYS A 135 13.346 8.560 -1.011 1.00 4.04 C ATOM 1901 NZ LYS A 135 14.705 9.172 -1.004 1.00 5.06 N ATOM 0 H LYS A 135 12.703 6.942 2.236 1.00 1.23 H new ATOM 0 HA LYS A 135 14.262 4.438 1.776 1.00 1.09 H new ATOM 0 HB2 LYS A 135 15.199 7.342 1.862 1.00 1.93 H new ATOM 0 HB3 LYS A 135 16.106 5.963 1.273 1.00 1.93 H new ATOM 0 HG2 LYS A 135 15.217 6.986 -0.707 1.00 2.37 H new ATOM 0 HG3 LYS A 135 14.186 5.596 -0.432 1.00 2.37 H new ATOM 0 HD2 LYS A 135 12.348 6.907 -0.037 1.00 3.36 H new ATOM 0 HD3 LYS A 135 13.229 7.951 1.061 1.00 3.36 H new ATOM 0 HE2 LYS A 135 13.138 8.122 -1.987 1.00 4.04 H new ATOM 0 HE3 LYS A 135 12.590 9.326 -0.837 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 14.662 10.119 -1.432 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 15.045 9.250 -0.024 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 15.358 8.575 -1.551 1.00 5.06 H new ATOM 1915 N ALA A 136 16.009 5.590 3.820 1.00 1.56 N ATOM 1916 CA ALA A 136 16.577 5.567 5.198 1.00 1.90 C ATOM 1917 C ALA A 136 16.710 4.115 5.659 1.00 2.22 C ATOM 1918 O ALA A 136 17.047 3.838 6.793 1.00 2.64 O ATOM 1919 CB ALA A 136 15.644 6.322 6.148 1.00 2.27 C ATOM 0 H ALA A 136 16.687 5.748 3.074 1.00 1.56 H new ATOM 0 HA ALA A 136 17.557 6.045 5.201 1.00 1.90 H new ATOM 0 HB1 ALA A 136 16.059 6.305 7.156 1.00 2.27 H new ATOM 0 HB2 ALA A 136 15.543 7.355 5.814 1.00 2.27 H new ATOM 0 HB3 ALA A 136 14.664 5.844 6.151 1.00 2.27 H new ATOM 1925 N GLY A 137 16.445 3.186 4.782 1.00 2.17 N ATOM 1926 CA GLY A 137 16.552 1.747 5.156 1.00 2.51 C ATOM 1927 C GLY A 137 15.871 0.898 4.082 1.00 1.81 C ATOM 1928 O GLY A 137 15.670 -0.289 4.248 1.00 2.11 O ATOM 0 H GLY A 137 16.158 3.362 3.819 1.00 2.17 H new ATOM 0 HA2 GLY A 137 17.599 1.461 5.253 1.00 2.51 H new ATOM 0 HA3 GLY A 137 16.083 1.575 6.125 1.00 2.51 H new ATOM 1932 N ALA A 138 15.516 1.499 2.980 1.00 1.23 N ATOM 1933 CA ALA A 138 14.846 0.734 1.891 1.00 1.37 C ATOM 1934 C ALA A 138 15.880 -0.111 1.148 1.00 1.13 C ATOM 1935 O ALA A 138 16.863 -0.549 1.712 1.00 1.41 O ATOM 1936 CB ALA A 138 14.189 1.708 0.911 1.00 2.32 C ATOM 0 H ALA A 138 15.662 2.490 2.786 1.00 1.23 H new ATOM 0 HA ALA A 138 14.086 0.083 2.323 1.00 1.37 H new ATOM 0 HB1 ALA A 138 13.699 1.148 0.115 1.00 2.32 H new ATOM 0 HB2 ALA A 138 13.450 2.311 1.438 1.00 2.32 H new ATOM 0 HB3 ALA A 138 14.949 2.360 0.481 1.00 2.32 H new ATOM 1942 N TYR A 139 15.659 -0.349 -0.115 1.00 0.82 N ATOM 1943 CA TYR A 139 16.621 -1.173 -0.896 1.00 0.75 C ATOM 1944 C TYR A 139 16.327 -1.035 -2.395 1.00 0.76 C ATOM 1945 O TYR A 139 16.458 0.030 -2.964 1.00 0.83 O ATOM 1946 CB TYR A 139 16.494 -2.636 -0.465 1.00 0.74 C ATOM 1947 CG TYR A 139 15.045 -2.992 -0.192 1.00 0.79 C ATOM 1948 CD1 TYR A 139 13.998 -2.256 -0.769 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.753 -4.074 0.648 1.00 1.41 C ATOM 1950 CE1 TYR A 139 12.668 -2.605 -0.503 1.00 1.61 C ATOM 1951 CE2 TYR A 139 13.423 -4.420 0.912 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.381 -3.685 0.338 1.00 1.11 C ATOM 1953 OH TYR A 139 11.070 -4.027 0.598 1.00 1.32 O ATOM 0 H TYR A 139 14.853 -0.008 -0.639 1.00 0.82 H new ATOM 0 HA TYR A 139 17.638 -0.828 -0.707 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.892 -3.286 -1.244 1.00 0.74 H new ATOM 0 HB3 TYR A 139 17.091 -2.809 0.430 1.00 0.74 H new ATOM 0 HD1 TYR A 139 14.218 -1.421 -1.418 1.00 1.42 H new ATOM 0 HD2 TYR A 139 15.556 -4.643 1.093 1.00 1.41 H new ATOM 0 HE1 TYR A 139 11.863 -2.039 -0.948 1.00 1.61 H new ATOM 0 HE2 TYR A 139 13.201 -5.255 1.560 1.00 1.42 H new ATOM 0 HH TYR A 139 11.044 -4.714 1.296 1.00 1.32 H new ATOM 1963 N GLU A 140 15.920 -2.098 -3.037 1.00 0.80 N ATOM 1964 CA GLU A 140 15.607 -2.015 -4.491 1.00 0.87 C ATOM 1965 C GLU A 140 14.163 -2.473 -4.711 1.00 0.77 C ATOM 1966 O GLU A 140 13.695 -3.401 -4.077 1.00 0.73 O ATOM 1967 CB GLU A 140 16.588 -2.896 -5.279 1.00 1.13 C ATOM 1968 CG GLU A 140 15.838 -3.974 -6.067 1.00 0.93 C ATOM 1969 CD GLU A 140 14.947 -3.309 -7.114 1.00 0.94 C ATOM 1970 OE1 GLU A 140 15.289 -2.220 -7.544 1.00 1.65 O ATOM 1971 OE2 GLU A 140 13.936 -3.897 -7.456 1.00 1.25 O ATOM 0 H GLU A 140 15.791 -3.018 -2.617 1.00 0.80 H new ATOM 0 HA GLU A 140 15.711 -0.989 -4.844 1.00 0.87 H new ATOM 0 HB2 GLU A 140 17.170 -2.278 -5.963 1.00 1.13 H new ATOM 0 HB3 GLU A 140 17.294 -3.365 -4.594 1.00 1.13 H new ATOM 0 HG2 GLU A 140 16.547 -4.646 -6.551 1.00 0.93 H new ATOM 0 HG3 GLU A 140 15.234 -4.580 -5.392 1.00 0.93 H new ATOM 1978 N PHE A 141 13.453 -1.831 -5.602 1.00 0.77 N ATOM 1979 CA PHE A 141 12.036 -2.226 -5.855 1.00 0.75 C ATOM 1980 C PHE A 141 11.827 -2.506 -7.348 1.00 0.72 C ATOM 1981 O PHE A 141 11.929 -1.621 -8.173 1.00 0.73 O ATOM 1982 CB PHE A 141 11.119 -1.083 -5.417 1.00 0.79 C ATOM 1983 CG PHE A 141 9.705 -1.586 -5.254 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.412 -2.562 -4.293 1.00 1.64 C ATOM 1985 CD2 PHE A 141 8.684 -1.070 -6.061 1.00 1.17 C ATOM 1986 CE1 PHE A 141 8.099 -3.020 -4.140 1.00 1.68 C ATOM 1987 CE2 PHE A 141 7.371 -1.529 -5.909 1.00 1.26 C ATOM 1988 CZ PHE A 141 7.078 -2.504 -4.948 1.00 1.00 C ATOM 0 H PHE A 141 13.793 -1.051 -6.165 1.00 0.77 H new ATOM 0 HA PHE A 141 11.804 -3.129 -5.291 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.474 -0.662 -4.477 1.00 0.79 H new ATOM 0 HB3 PHE A 141 11.145 -0.282 -6.156 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.199 -2.961 -3.670 1.00 1.64 H new ATOM 0 HD2 PHE A 141 8.910 -0.317 -6.801 1.00 1.17 H new ATOM 0 HE1 PHE A 141 7.873 -3.772 -3.398 1.00 1.68 H new ATOM 0 HE2 PHE A 141 6.584 -1.131 -6.533 1.00 1.26 H new ATOM 0 HZ PHE A 141 6.065 -2.858 -4.830 1.00 1.00 H new ATOM 1998 N CYS A 142 11.530 -3.730 -7.700 1.00 0.70 N ATOM 1999 CA CYS A 142 11.307 -4.067 -9.136 1.00 0.68 C ATOM 2000 C CYS A 142 9.872 -4.559 -9.342 1.00 0.68 C ATOM 2001 O CYS A 142 9.540 -5.686 -9.034 1.00 0.74 O ATOM 2002 CB CYS A 142 12.280 -5.169 -9.560 1.00 0.68 C ATOM 2003 SG CYS A 142 13.800 -4.454 -10.243 1.00 0.72 S ATOM 0 H CYS A 142 11.432 -4.512 -7.053 1.00 0.70 H new ATOM 0 HA CYS A 142 11.473 -3.174 -9.739 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.521 -5.798 -8.703 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.808 -5.811 -10.304 1.00 0.68 H new ATOM 2008 N ILE A 143 9.023 -3.724 -9.877 1.00 0.83 N ATOM 2009 CA ILE A 143 7.613 -4.138 -10.123 1.00 0.89 C ATOM 2010 C ILE A 143 7.351 -4.142 -11.627 1.00 0.92 C ATOM 2011 O ILE A 143 7.846 -3.311 -12.363 1.00 0.91 O ATOM 2012 CB ILE A 143 6.660 -3.167 -9.417 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.491 -2.796 -10.335 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.420 -1.897 -9.029 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.497 -1.923 -9.567 1.00 1.22 C ATOM 0 H ILE A 143 9.247 -2.769 -10.155 1.00 0.83 H new ATOM 0 HA ILE A 143 7.444 -5.139 -9.727 1.00 0.89 H new ATOM 0 HB ILE A 143 6.266 -3.653 -8.524 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.858 -2.263 -11.212 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.997 -3.698 -10.695 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.742 -1.206 -8.527 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.239 -2.154 -8.357 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.821 -1.424 -9.926 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.665 -1.659 -10.220 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.121 -2.473 -8.704 1.00 1.22 H new ATOM 0 HD13 ILE A 143 4.996 -1.015 -9.229 1.00 1.22 H new ATOM 2027 N SER A 144 6.572 -5.079 -12.083 1.00 1.00 N ATOM 2028 CA SER A 144 6.269 -5.155 -13.538 1.00 1.07 C ATOM 2029 C SER A 144 4.784 -5.464 -13.731 1.00 1.14 C ATOM 2030 O SER A 144 4.299 -5.552 -14.841 1.00 1.33 O ATOM 2031 CB SER A 144 7.110 -6.260 -14.178 1.00 1.17 C ATOM 2032 OG SER A 144 6.561 -7.525 -13.838 1.00 1.28 O ATOM 0 H SER A 144 6.130 -5.798 -11.510 1.00 1.00 H new ATOM 0 HA SER A 144 6.506 -4.202 -14.010 1.00 1.07 H new ATOM 0 HB2 SER A 144 7.128 -6.138 -15.261 1.00 1.17 H new ATOM 0 HB3 SER A 144 8.142 -6.194 -13.833 1.00 1.17 H new ATOM 0 HG SER A 144 7.097 -8.235 -14.248 1.00 1.28 H new ATOM 2038 N GLN A 145 4.056 -5.629 -12.660 1.00 1.08 N ATOM 2039 CA GLN A 145 2.602 -5.931 -12.796 1.00 1.29 C ATOM 2040 C GLN A 145 1.848 -5.438 -11.560 1.00 1.38 C ATOM 2041 O GLN A 145 2.401 -5.331 -10.483 1.00 1.99 O ATOM 2042 CB GLN A 145 2.404 -7.442 -12.941 1.00 1.40 C ATOM 2043 CG GLN A 145 3.625 -8.058 -13.626 1.00 1.94 C ATOM 2044 CD GLN A 145 3.470 -9.579 -13.676 1.00 2.35 C ATOM 2045 OE1 GLN A 145 2.609 -10.135 -13.022 1.00 2.30 O ATOM 2046 NE2 GLN A 145 4.271 -10.281 -14.430 1.00 3.30 N ATOM 0 H GLN A 145 4.402 -5.568 -11.702 1.00 1.08 H new ATOM 0 HA GLN A 145 2.215 -5.423 -13.679 1.00 1.29 H new ATOM 0 HB2 GLN A 145 2.258 -7.895 -11.961 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.506 -7.647 -13.524 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.729 -7.659 -14.635 1.00 1.94 H new ATOM 0 HG3 GLN A 145 4.532 -7.792 -13.083 1.00 1.94 H new ATOM 0 HE21 GLN A 145 4.994 -9.815 -14.979 1.00 3.30 H new ATOM 0 HE22 GLN A 145 4.175 -11.296 -14.470 1.00 3.30 H new ATOM 2055 N VAL A 146 0.586 -5.138 -11.708 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.211 -4.655 -10.545 1.00 1.53 C ATOM 2057 C VAL A 146 -1.701 -4.847 -10.836 1.00 1.48 C ATOM 2058 O VAL A 146 -2.226 -4.320 -11.798 1.00 1.44 O ATOM 2059 CB VAL A 146 0.074 -3.171 -10.310 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.833 -2.649 -9.195 1.00 2.26 C ATOM 2061 CG2 VAL A 146 1.537 -2.989 -9.900 1.00 2.16 C ATOM 0 H VAL A 146 0.072 -5.207 -12.586 1.00 1.54 H new ATOM 0 HA VAL A 146 0.064 -5.222 -9.656 1.00 1.53 H new ATOM 0 HB VAL A 146 -0.118 -2.616 -11.228 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -0.631 -1.591 -9.027 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -1.876 -2.777 -9.484 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -0.640 -3.206 -8.278 1.00 2.26 H new ATOM 0 HG21 VAL A 146 1.739 -1.931 -9.733 1.00 2.16 H new ATOM 0 HG22 VAL A 146 1.729 -3.545 -8.982 1.00 2.16 H new ATOM 0 HG23 VAL A 146 2.186 -3.361 -10.693 1.00 2.16 H new ATOM 2071 N SER A 147 -2.390 -5.595 -10.018 1.00 1.63 N ATOM 2072 CA SER A 147 -3.843 -5.814 -10.257 1.00 1.76 C ATOM 2073 C SER A 147 -4.550 -6.080 -8.927 1.00 2.04 C ATOM 2074 O SER A 147 -3.922 -6.240 -7.899 1.00 2.17 O ATOM 2075 CB SER A 147 -4.032 -7.014 -11.185 1.00 2.02 C ATOM 2076 OG SER A 147 -3.921 -8.213 -10.430 1.00 2.76 O ATOM 0 H SER A 147 -2.009 -6.063 -9.196 1.00 1.63 H new ATOM 0 HA SER A 147 -4.270 -4.925 -10.720 1.00 1.76 H new ATOM 0 HB2 SER A 147 -5.007 -6.964 -11.669 1.00 2.02 H new ATOM 0 HB3 SER A 147 -3.283 -6.998 -11.976 1.00 2.02 H new ATOM 0 HG SER A 147 -4.043 -8.985 -11.022 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.855 -6.129 -8.939 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.603 -6.385 -7.677 1.00 2.65 C ATOM 2084 C LEU A 148 -7.994 -6.931 -8.009 1.00 2.54 C ATOM 2085 O LEU A 148 -8.245 -7.389 -9.106 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.738 -5.082 -6.891 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.548 -4.070 -7.704 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -7.904 -2.880 -6.813 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -6.713 -3.586 -8.891 1.00 3.26 C ATOM 0 H LEU A 148 -6.434 -6.003 -9.769 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.062 -7.116 -7.076 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -7.228 -5.271 -5.936 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -5.751 -4.677 -6.668 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.461 -4.540 -8.071 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -8.481 -2.155 -7.387 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -8.495 -3.225 -5.965 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -6.990 -2.410 -6.451 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -7.289 -2.865 -9.471 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -5.802 -3.113 -8.526 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -6.453 -4.435 -9.523 1.00 3.26 H new ATOM 2101 N THR A 149 -8.900 -6.882 -7.071 1.00 2.09 N ATOM 2102 CA THR A 149 -10.273 -7.397 -7.334 1.00 2.24 C ATOM 2103 C THR A 149 -11.017 -7.565 -6.007 1.00 1.93 C ATOM 2104 O THR A 149 -10.599 -7.064 -4.982 1.00 1.84 O ATOM 2105 CB THR A 149 -10.185 -8.751 -8.043 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.355 -9.505 -7.766 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.955 -9.511 -7.545 1.00 2.42 C ATOM 0 H THR A 149 -8.749 -6.508 -6.134 1.00 2.09 H new ATOM 0 HA THR A 149 -10.810 -6.690 -7.966 1.00 2.24 H new ATOM 0 HB THR A 149 -10.100 -8.594 -9.118 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.113 -10.444 -7.622 1.00 3.07 H new ATOM 0 HG21 THR A 149 -8.893 -10.475 -8.050 1.00 2.42 H new ATOM 0 HG22 THR A 149 -8.057 -8.931 -7.759 1.00 2.42 H new ATOM 0 HG23 THR A 149 -9.036 -9.670 -6.470 1.00 2.42 H new ATOM 2115 N THR A 150 -12.117 -8.268 -6.017 1.00 1.92 N ATOM 2116 CA THR A 150 -12.886 -8.468 -4.758 1.00 1.72 C ATOM 2117 C THR A 150 -13.874 -9.622 -4.942 1.00 1.75 C ATOM 2118 O THR A 150 -13.487 -10.757 -5.137 1.00 2.00 O ATOM 2119 CB THR A 150 -13.654 -7.187 -4.419 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.603 -7.462 -3.399 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.377 -6.679 -5.668 1.00 1.66 C ATOM 0 H THR A 150 -12.516 -8.712 -6.844 1.00 1.92 H new ATOM 0 HA THR A 150 -12.198 -8.704 -3.946 1.00 1.72 H new ATOM 0 HB THR A 150 -12.956 -6.425 -4.070 1.00 1.59 H new ATOM 0 HG1 THR A 150 -14.137 -7.601 -2.548 1.00 1.52 H new ATOM 0 HG21 THR A 150 -14.924 -5.767 -5.427 1.00 1.66 H new ATOM 0 HG22 THR A 150 -13.648 -6.468 -6.450 1.00 1.66 H new ATOM 0 HG23 THR A 150 -15.076 -7.439 -6.018 1.00 1.66 H new ATOM 2129 N SER A 151 -15.147 -9.340 -4.880 1.00 1.64 N ATOM 2130 CA SER A 151 -16.157 -10.422 -5.053 1.00 1.81 C ATOM 2131 C SER A 151 -17.486 -9.980 -4.436 1.00 1.86 C ATOM 2132 O SER A 151 -18.217 -10.775 -3.878 1.00 2.15 O ATOM 2133 CB SER A 151 -15.668 -11.692 -4.355 1.00 1.90 C ATOM 2134 OG SER A 151 -15.043 -12.540 -5.309 1.00 2.03 O ATOM 0 H SER A 151 -15.530 -8.409 -4.717 1.00 1.64 H new ATOM 0 HA SER A 151 -16.298 -10.623 -6.115 1.00 1.81 H new ATOM 0 HB2 SER A 151 -14.965 -11.437 -3.562 1.00 1.90 H new ATOM 0 HB3 SER A 151 -16.505 -12.208 -3.885 1.00 1.90 H new ATOM 0 HG SER A 151 -14.118 -12.248 -5.450 1.00 2.03 H new ATOM 2140 N ALA A 152 -17.806 -8.719 -4.534 1.00 1.82 N ATOM 2141 CA ALA A 152 -19.088 -8.227 -3.954 1.00 2.08 C ATOM 2142 C ALA A 152 -19.370 -8.964 -2.643 1.00 2.21 C ATOM 2143 O ALA A 152 -20.500 -9.059 -2.204 1.00 2.82 O ATOM 2144 CB ALA A 152 -20.227 -8.489 -4.941 1.00 2.46 C ATOM 0 H ALA A 152 -17.235 -8.008 -4.991 1.00 1.82 H new ATOM 0 HA ALA A 152 -19.013 -7.157 -3.761 1.00 2.08 H new ATOM 0 HB1 ALA A 152 -21.165 -8.130 -4.518 1.00 2.46 H new ATOM 0 HB2 ALA A 152 -20.026 -7.965 -5.876 1.00 2.46 H new ATOM 0 HB3 ALA A 152 -20.302 -9.559 -5.134 1.00 2.46 H new ATOM 2150 N THR A 153 -18.353 -9.485 -2.012 1.00 2.13 N ATOM 2151 CA THR A 153 -18.566 -10.214 -0.731 1.00 2.33 C ATOM 2152 C THR A 153 -17.454 -9.848 0.255 1.00 2.94 C ATOM 2153 O THR A 153 -17.593 -10.173 1.423 1.00 3.54 O ATOM 2154 CB THR A 153 -18.540 -11.721 -0.990 1.00 2.54 C ATOM 2155 OG1 THR A 153 -19.353 -12.020 -2.116 1.00 2.77 O ATOM 2156 CG2 THR A 153 -19.072 -12.462 0.238 1.00 3.03 C ATOM 2157 OXT THR A 153 -16.482 -9.248 -0.174 1.00 3.36 O ATOM 0 H THR A 153 -17.385 -9.437 -2.329 1.00 2.13 H new ATOM 0 HA THR A 153 -19.532 -9.934 -0.311 1.00 2.33 H new ATOM 0 HB THR A 153 -17.516 -12.039 -1.186 1.00 2.54 H new ATOM 0 HG1 THR A 153 -18.843 -11.866 -2.938 1.00 2.77 H new ATOM 0 HG21 THR A 153 -19.053 -13.536 0.052 1.00 3.03 H new ATOM 0 HG22 THR A 153 -18.447 -12.232 1.101 1.00 3.03 H new ATOM 0 HG23 THR A 153 -20.096 -12.147 0.438 1.00 3.03 H new TER 2165 THR A 153