USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 655 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 32 LYS NZ :NH3+ -130:sc= 1.14 (180deg=-0.373) USER MOD Set 1.2: A 82 SER OG : rot 41:sc= 0.227 USER MOD Single : A 3 GLN : amide:sc= -0.906 K(o=-0.91,f=-0.12) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 18 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.42) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 30 SER OG : rot 72:sc= 0.644 USER MOD Single : A 31 TYR OH : rot -93:sc= 0.343 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0243 (180deg=-0.243) USER MOD Single : A 48 GLN : amide:sc= -0.299 K(o=-0.3,f=-1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : A 58 GLN : amide:sc= -0.82 X(o=-0.82,f=-0.81) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.399 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 75 TYR OH : rot -129:sc= 1.14 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 87 THR OG1 : rot -20:sc= 0.965 USER MOD Single : A 89 GLN : amide:sc= 0.3 K(o=0.3,f=-3.1!) USER MOD Single : A 91 ASN : amide:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 96 THR OG1 : rot -81:sc= 0.661 USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.015) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 14.800 -1.000 3.328 1.00 0.15 N ATOM 21 CA VAL A 2 13.487 -0.518 2.920 1.00 0.10 C ATOM 22 C VAL A 2 12.509 -0.521 4.100 1.00 0.09 C ATOM 23 O VAL A 2 12.584 -1.372 4.983 1.00 0.12 O ATOM 24 CB VAL A 2 12.880 -1.331 1.743 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.645 -0.636 1.237 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.864 -1.509 0.602 1.00 0.09 C ATOM 0 HA VAL A 2 13.639 0.503 2.571 1.00 0.10 H new ATOM 0 HB VAL A 2 12.630 -2.322 2.121 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.219 -1.206 0.411 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.914 -0.562 2.042 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.906 0.364 0.891 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.395 -2.083 -0.197 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.160 -0.532 0.221 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.745 -2.040 0.961 1.00 0.09 H new ATOM 36 N GLN A 3 11.613 0.454 4.100 1.00 0.09 N ATOM 37 CA GLN A 3 10.591 0.616 5.113 1.00 0.10 C ATOM 38 C GLN A 3 9.243 0.607 4.415 1.00 0.11 C ATOM 39 O GLN A 3 9.196 0.713 3.190 1.00 0.17 O ATOM 40 CB GLN A 3 10.779 1.942 5.838 1.00 0.16 C ATOM 41 CG GLN A 3 12.124 2.103 6.496 1.00 0.79 C ATOM 42 CD GLN A 3 12.479 0.980 7.458 1.00 1.14 C ATOM 43 OE1 GLN A 3 13.652 0.639 7.620 1.00 1.37 O ATOM 44 NE2 GLN A 3 11.479 0.406 8.115 1.00 2.03 N ATOM 0 H GLN A 3 11.579 1.171 3.375 1.00 0.09 H new ATOM 0 HA GLN A 3 10.654 -0.190 5.844 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.636 2.755 5.126 1.00 0.16 H new ATOM 0 HB3 GLN A 3 10.002 2.042 6.596 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.891 2.162 5.723 1.00 0.79 H new ATOM 0 HG3 GLN A 3 12.142 3.050 7.036 1.00 0.79 H new ATOM 0 HE21 GLN A 3 10.520 0.715 7.955 1.00 2.03 H new ATOM 0 HE22 GLN A 3 11.669 -0.344 8.780 1.00 2.03 H new ATOM 53 N CYS A 4 8.151 0.484 5.149 1.00 0.12 N ATOM 54 CA CYS A 4 6.862 0.421 4.491 1.00 0.13 C ATOM 55 C CYS A 4 5.738 1.034 5.324 1.00 0.17 C ATOM 56 O CYS A 4 5.809 1.117 6.555 1.00 0.29 O ATOM 57 CB CYS A 4 6.535 -1.024 4.125 1.00 0.17 C ATOM 58 SG CYS A 4 5.680 -1.957 5.433 1.00 0.30 S ATOM 0 H CYS A 4 8.129 0.427 6.167 1.00 0.12 H new ATOM 0 HA CYS A 4 6.934 1.021 3.584 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.915 -1.027 3.229 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.461 -1.541 3.873 1.00 0.17 H new ATOM 63 N GLU A 5 4.719 1.475 4.603 1.00 0.14 N ATOM 64 CA GLU A 5 3.504 2.062 5.137 1.00 0.16 C ATOM 65 C GLU A 5 2.360 1.704 4.197 1.00 0.15 C ATOM 66 O GLU A 5 2.580 1.077 3.164 1.00 0.17 O ATOM 67 CB GLU A 5 3.624 3.586 5.242 1.00 0.24 C ATOM 68 CG GLU A 5 4.596 4.068 6.303 1.00 0.33 C ATOM 69 CD GLU A 5 4.886 5.548 6.193 1.00 1.14 C ATOM 70 OE1 GLU A 5 4.154 6.355 6.806 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.856 5.916 5.497 1.00 1.87 O ATOM 0 H GLU A 5 4.718 1.431 3.584 1.00 0.14 H new ATOM 0 HA GLU A 5 3.324 1.674 6.139 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.936 3.981 4.275 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.639 4.002 5.454 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.187 3.854 7.290 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.529 3.511 6.217 1.00 0.33 H new ATOM 78 N VAL A 6 1.149 2.089 4.544 1.00 0.17 N ATOM 79 CA VAL A 6 -0.015 1.731 3.761 1.00 0.18 C ATOM 80 C VAL A 6 -0.978 2.897 3.637 1.00 0.21 C ATOM 81 O VAL A 6 -1.363 3.511 4.633 1.00 0.33 O ATOM 82 CB VAL A 6 -0.742 0.541 4.382 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.132 -0.763 3.899 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.672 0.638 5.898 1.00 0.20 C ATOM 0 H VAL A 6 0.945 2.654 5.369 1.00 0.17 H new ATOM 0 HA VAL A 6 0.338 1.460 2.766 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.787 0.558 4.074 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.662 -1.602 4.351 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.215 -0.824 2.814 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.919 -0.801 4.185 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.191 -0.212 6.341 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.371 0.632 6.215 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.145 1.564 6.226 1.00 0.20 H new ATOM 94 N GLU A 7 -1.365 3.187 2.410 1.00 0.16 N ATOM 95 CA GLU A 7 -2.174 4.357 2.123 1.00 0.16 C ATOM 96 C GLU A 7 -3.374 4.021 1.263 1.00 0.16 C ATOM 97 O GLU A 7 -3.410 2.997 0.585 1.00 0.28 O ATOM 98 CB GLU A 7 -1.337 5.395 1.390 1.00 0.26 C ATOM 99 CG GLU A 7 -0.001 5.647 2.039 1.00 0.24 C ATOM 100 CD GLU A 7 -0.040 6.762 3.057 1.00 1.05 C ATOM 101 OE1 GLU A 7 -0.033 7.942 2.650 1.00 2.01 O ATOM 102 OE2 GLU A 7 -0.065 6.470 4.272 1.00 1.11 O ATOM 0 H GLU A 7 -1.131 2.625 1.591 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.527 4.745 3.078 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.178 5.065 0.363 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -1.892 6.332 1.342 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.340 4.732 2.524 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.731 5.891 1.269 1.00 0.24 H new ATOM 109 N ALA A 8 -4.352 4.900 1.304 1.00 0.14 N ATOM 110 CA ALA A 8 -5.497 4.821 0.430 1.00 0.12 C ATOM 111 C ALA A 8 -5.759 6.206 -0.158 1.00 0.15 C ATOM 112 O ALA A 8 -5.927 7.179 0.584 1.00 0.17 O ATOM 113 CB ALA A 8 -6.693 4.326 1.211 1.00 0.13 C ATOM 0 H ALA A 8 -4.373 5.691 1.947 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.310 4.121 -0.384 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.559 4.266 0.551 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.478 3.338 1.618 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.906 5.017 2.027 1.00 0.13 H new ATOM 119 N ALA A 9 -5.796 6.297 -1.477 1.00 0.16 N ATOM 120 CA ALA A 9 -5.971 7.573 -2.158 1.00 0.19 C ATOM 121 C ALA A 9 -7.392 7.701 -2.673 1.00 0.19 C ATOM 122 O ALA A 9 -7.818 6.937 -3.530 1.00 0.20 O ATOM 123 CB ALA A 9 -4.976 7.696 -3.299 1.00 0.22 C ATOM 0 H ALA A 9 -5.707 5.497 -2.103 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.787 8.381 -1.449 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.115 8.653 -3.802 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.961 7.637 -2.905 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.136 6.886 -4.011 1.00 0.22 H new ATOM 129 N VAL A 10 -8.125 8.667 -2.161 1.00 0.22 N ATOM 130 CA VAL A 10 -9.543 8.748 -2.456 1.00 0.23 C ATOM 131 C VAL A 10 -9.880 9.918 -3.372 1.00 0.27 C ATOM 132 O VAL A 10 -9.590 11.076 -3.068 1.00 0.33 O ATOM 133 CB VAL A 10 -10.383 8.847 -1.172 1.00 0.25 C ATOM 134 CG1 VAL A 10 -11.859 8.943 -1.517 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.120 7.649 -0.269 1.00 0.27 C ATOM 0 H VAL A 10 -7.770 9.399 -1.546 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.793 7.824 -2.977 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.093 9.750 -0.634 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.443 9.013 -0.599 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.033 9.830 -2.126 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.161 8.056 -2.073 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -10.723 7.736 0.635 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.385 6.732 -0.795 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.064 7.621 0.000 1.00 0.27 H new ATOM 145 N SER A 11 -10.497 9.584 -4.493 1.00 0.29 N ATOM 146 CA SER A 11 -11.023 10.565 -5.421 1.00 0.36 C ATOM 147 C SER A 11 -12.550 10.520 -5.385 1.00 0.45 C ATOM 148 O SER A 11 -13.134 9.715 -4.652 1.00 0.63 O ATOM 149 CB SER A 11 -10.517 10.276 -6.827 1.00 0.45 C ATOM 150 OG SER A 11 -9.113 10.091 -6.835 1.00 1.22 O ATOM 0 H SER A 11 -10.647 8.618 -4.785 1.00 0.29 H new ATOM 0 HA SER A 11 -10.686 11.560 -5.132 1.00 0.36 H new ATOM 0 HB2 SER A 11 -11.007 9.384 -7.217 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.782 11.100 -7.489 1.00 0.45 H new ATOM 0 HG SER A 11 -8.813 9.905 -7.749 1.00 1.22 H new ATOM 156 N GLY A 12 -13.194 11.387 -6.151 1.00 0.45 N ATOM 157 CA GLY A 12 -14.646 11.442 -6.160 1.00 0.54 C ATOM 158 C GLY A 12 -15.288 10.209 -6.777 1.00 0.49 C ATOM 159 O GLY A 12 -15.544 10.171 -7.983 1.00 0.61 O ATOM 0 H GLY A 12 -12.738 12.057 -6.770 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -15.005 11.558 -5.137 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.966 12.325 -6.712 1.00 0.54 H new ATOM 163 N GLY A 13 -15.550 9.202 -5.951 1.00 0.45 N ATOM 164 CA GLY A 13 -16.230 8.007 -6.416 1.00 0.48 C ATOM 165 C GLY A 13 -15.300 6.821 -6.615 1.00 0.41 C ATOM 166 O GLY A 13 -15.757 5.691 -6.805 1.00 0.45 O ATOM 0 H GLY A 13 -15.302 9.192 -4.962 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -17.004 7.736 -5.698 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.732 8.227 -7.358 1.00 0.48 H new ATOM 170 N HIS A 14 -13.997 7.059 -6.560 1.00 0.34 N ATOM 171 CA HIS A 14 -13.018 5.988 -6.737 1.00 0.31 C ATOM 172 C HIS A 14 -11.909 6.112 -5.706 1.00 0.30 C ATOM 173 O HIS A 14 -11.511 7.217 -5.353 1.00 0.43 O ATOM 174 CB HIS A 14 -12.410 6.010 -8.146 1.00 0.34 C ATOM 175 CG HIS A 14 -13.379 5.678 -9.241 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.638 4.387 -9.654 1.00 1.56 N ATOM 177 CD2 HIS A 14 -14.146 6.479 -10.019 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.519 4.412 -10.638 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.843 5.665 -10.874 1.00 1.82 N ATOM 0 H HIS A 14 -13.591 7.980 -6.395 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.540 5.041 -6.602 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.993 6.999 -8.334 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.582 5.302 -8.183 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -14.199 7.557 -9.974 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -14.907 3.550 -11.160 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.507 5.981 -11.581 1.00 1.82 H new ATOM 188 N VAL A 15 -11.419 4.985 -5.219 1.00 0.23 N ATOM 189 CA VAL A 15 -10.334 4.991 -4.255 1.00 0.20 C ATOM 190 C VAL A 15 -9.170 4.137 -4.757 1.00 0.18 C ATOM 191 O VAL A 15 -9.305 2.938 -4.973 1.00 0.17 O ATOM 192 CB VAL A 15 -10.810 4.529 -2.845 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.523 3.181 -2.889 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.647 4.476 -1.867 1.00 0.17 C ATOM 0 H VAL A 15 -11.755 4.056 -5.475 1.00 0.23 H new ATOM 0 HA VAL A 15 -9.986 6.018 -4.150 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.529 5.271 -2.498 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.836 2.902 -1.883 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.399 3.253 -3.534 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.845 2.423 -3.282 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.007 4.151 -0.891 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.898 3.773 -2.230 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.201 5.467 -1.778 1.00 0.17 H new ATOM 204 N THR A 16 -8.035 4.777 -4.965 1.00 0.17 N ATOM 205 CA THR A 16 -6.832 4.101 -5.408 1.00 0.16 C ATOM 206 C THR A 16 -5.948 3.796 -4.212 1.00 0.14 C ATOM 207 O THR A 16 -5.487 4.698 -3.529 1.00 0.15 O ATOM 208 CB THR A 16 -6.053 4.968 -6.412 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.843 5.182 -7.586 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.727 4.324 -6.780 1.00 0.19 C ATOM 0 H THR A 16 -7.922 5.782 -4.831 1.00 0.17 H new ATOM 0 HA THR A 16 -7.121 3.173 -5.901 1.00 0.16 H new ATOM 0 HB THR A 16 -5.840 5.928 -5.942 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.342 5.736 -8.221 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.199 4.959 -7.491 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.121 4.201 -5.883 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.909 3.348 -7.231 1.00 0.19 H new ATOM 218 N LEU A 17 -5.704 2.534 -3.963 1.00 0.12 N ATOM 219 CA LEU A 17 -5.005 2.138 -2.765 1.00 0.10 C ATOM 220 C LEU A 17 -3.602 1.643 -3.083 1.00 0.13 C ATOM 221 O LEU A 17 -3.428 0.775 -3.939 1.00 0.17 O ATOM 222 CB LEU A 17 -5.804 1.071 -2.062 1.00 0.11 C ATOM 223 CG LEU A 17 -5.747 1.151 -0.547 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.121 0.916 0.035 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.732 0.170 0.000 1.00 0.11 C ATOM 0 H LEU A 17 -5.978 1.764 -4.573 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.899 3.004 -2.111 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.844 1.142 -2.380 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.441 0.093 -2.377 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.424 2.150 -0.254 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.071 0.975 1.122 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.809 1.675 -0.338 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.476 -0.072 -0.258 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.706 0.242 1.087 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.012 -0.843 -0.290 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.747 0.403 -0.403 1.00 0.11 H new ATOM 237 N GLN A 18 -2.609 2.214 -2.404 1.00 0.15 N ATOM 238 CA GLN A 18 -1.217 1.847 -2.613 1.00 0.19 C ATOM 239 C GLN A 18 -0.475 1.828 -1.275 1.00 0.24 C ATOM 240 O GLN A 18 -0.815 2.572 -0.358 1.00 0.51 O ATOM 241 CB GLN A 18 -0.529 2.840 -3.553 1.00 0.32 C ATOM 242 CG GLN A 18 -1.247 3.075 -4.868 1.00 0.78 C ATOM 243 CD GLN A 18 -0.572 4.134 -5.720 1.00 1.03 C ATOM 244 OE1 GLN A 18 0.649 4.306 -5.678 1.00 1.58 O ATOM 245 NE2 GLN A 18 -1.363 4.858 -6.497 1.00 1.77 N ATOM 0 H GLN A 18 -2.749 2.938 -1.699 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.192 0.855 -3.064 1.00 0.19 H new ATOM 0 HB2 GLN A 18 -0.425 3.794 -3.037 1.00 0.32 H new ATOM 0 HB3 GLN A 18 0.478 2.480 -3.765 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -1.292 2.139 -5.426 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -2.275 3.376 -4.668 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -2.368 4.685 -6.504 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -0.967 5.588 -7.089 1.00 1.77 H new ATOM 254 N GLY A 19 0.541 0.988 -1.170 1.00 0.17 N ATOM 255 CA GLY A 19 1.327 0.923 0.046 1.00 0.18 C ATOM 256 C GLY A 19 2.629 1.683 -0.100 1.00 0.18 C ATOM 257 O GLY A 19 3.363 1.478 -1.057 1.00 0.19 O ATOM 0 H GLY A 19 0.838 0.348 -1.906 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.753 1.336 0.875 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.537 -0.118 0.291 1.00 0.18 H new ATOM 261 N VAL A 20 2.918 2.560 0.842 1.00 0.17 N ATOM 262 CA VAL A 20 4.099 3.411 0.763 1.00 0.18 C ATOM 263 C VAL A 20 5.331 2.700 1.301 1.00 0.21 C ATOM 264 O VAL A 20 5.244 1.835 2.155 1.00 0.45 O ATOM 265 CB VAL A 20 3.850 4.753 1.486 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.121 5.365 2.047 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.183 5.730 0.535 1.00 0.20 C ATOM 0 H VAL A 20 2.350 2.705 1.677 1.00 0.17 H new ATOM 0 HA VAL A 20 4.292 3.630 -0.287 1.00 0.18 H new ATOM 0 HB VAL A 20 3.197 4.545 2.333 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.883 6.306 2.543 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.569 4.679 2.766 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.825 5.551 1.235 1.00 0.24 H new ATOM 0 HG21 VAL A 20 3.009 6.676 1.048 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.829 5.898 -0.326 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.231 5.319 0.199 1.00 0.20 H new ATOM 277 N ILE A 21 6.465 3.039 0.736 1.00 0.13 N ATOM 278 CA ILE A 21 7.727 2.443 1.093 1.00 0.11 C ATOM 279 C ILE A 21 8.792 3.514 1.243 1.00 0.13 C ATOM 280 O ILE A 21 9.231 4.104 0.262 1.00 0.14 O ATOM 281 CB ILE A 21 8.139 1.429 0.010 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.517 0.083 0.308 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.648 1.292 -0.124 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.597 -0.843 -0.864 1.00 0.10 C ATOM 0 H ILE A 21 6.536 3.747 0.005 1.00 0.13 H new ATOM 0 HA ILE A 21 7.623 1.927 2.047 1.00 0.11 H new ATOM 0 HB ILE A 21 7.771 1.807 -0.944 1.00 0.10 H new ATOM 0 HG12 ILE A 21 8.022 -0.369 1.162 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.473 0.221 0.591 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.880 0.564 -0.902 1.00 0.10 H new ATOM 0 HG22 ILE A 21 10.079 2.257 -0.390 1.00 0.10 H new ATOM 0 HG23 ILE A 21 10.068 0.956 0.824 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.139 -1.798 -0.606 1.00 0.10 H new ATOM 0 HD12 ILE A 21 7.069 -0.404 -1.711 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.642 -1.003 -1.131 1.00 0.10 H new ATOM 296 N THR A 22 9.182 3.815 2.459 1.00 0.13 N ATOM 297 CA THR A 22 10.326 4.673 2.637 1.00 0.14 C ATOM 298 C THR A 22 11.560 3.832 2.518 1.00 0.14 C ATOM 299 O THR A 22 11.694 2.825 3.185 1.00 0.18 O ATOM 300 CB THR A 22 10.347 5.399 3.982 1.00 0.16 C ATOM 301 OG1 THR A 22 9.045 5.902 4.294 1.00 0.20 O ATOM 302 CG2 THR A 22 11.331 6.548 3.921 1.00 0.17 C ATOM 0 H THR A 22 8.738 3.489 3.317 1.00 0.13 H new ATOM 0 HA THR A 22 10.277 5.446 1.870 1.00 0.14 H new ATOM 0 HB THR A 22 10.650 4.696 4.758 1.00 0.16 H new ATOM 0 HG1 THR A 22 9.071 6.363 5.158 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.346 7.066 4.880 1.00 0.17 H new ATOM 0 HG22 THR A 22 12.327 6.163 3.701 1.00 0.17 H new ATOM 0 HG23 THR A 22 11.030 7.244 3.138 1.00 0.17 H new ATOM 310 N ALA A 23 12.460 4.220 1.672 1.00 0.12 N ATOM 311 CA ALA A 23 13.635 3.427 1.478 1.00 0.12 C ATOM 312 C ALA A 23 14.839 4.261 1.795 1.00 0.14 C ATOM 313 O ALA A 23 15.055 5.274 1.180 1.00 0.16 O ATOM 314 CB ALA A 23 13.668 2.935 0.054 1.00 0.11 C ATOM 0 H ALA A 23 12.408 5.070 1.110 1.00 0.12 H new ATOM 0 HA ALA A 23 13.630 2.560 2.139 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.561 2.330 -0.101 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.782 2.332 -0.143 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.685 3.787 -0.625 1.00 0.11 H new ATOM 320 N VAL A 24 15.614 3.830 2.765 1.00 0.16 N ATOM 321 CA VAL A 24 16.737 4.620 3.252 1.00 0.18 C ATOM 322 C VAL A 24 17.848 4.769 2.212 1.00 0.20 C ATOM 323 O VAL A 24 18.741 5.605 2.366 1.00 0.25 O ATOM 324 CB VAL A 24 17.311 4.013 4.543 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.448 4.864 5.081 1.00 0.25 C ATOM 326 CG2 VAL A 24 16.207 3.867 5.571 1.00 0.23 C ATOM 0 H VAL A 24 15.492 2.934 3.238 1.00 0.16 H new ATOM 0 HA VAL A 24 16.347 5.616 3.460 1.00 0.18 H new ATOM 0 HB VAL A 24 17.717 3.026 4.321 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.838 4.415 5.994 1.00 0.25 H new ATOM 0 HG12 VAL A 24 19.243 4.922 4.337 1.00 0.25 H new ATOM 0 HG13 VAL A 24 18.081 5.867 5.298 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.616 3.437 6.485 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.782 4.846 5.790 1.00 0.23 H new ATOM 0 HG23 VAL A 24 15.429 3.213 5.178 1.00 0.23 H new ATOM 336 N ARG A 25 17.795 3.991 1.139 1.00 0.21 N ATOM 337 CA ARG A 25 18.835 4.060 0.132 1.00 0.24 C ATOM 338 C ARG A 25 18.246 4.067 -1.277 1.00 0.23 C ATOM 339 O ARG A 25 17.382 3.250 -1.603 1.00 0.26 O ATOM 340 CB ARG A 25 19.802 2.905 0.320 1.00 0.33 C ATOM 341 CG ARG A 25 20.514 2.959 1.654 1.00 0.40 C ATOM 342 CD ARG A 25 21.568 4.042 1.677 1.00 0.73 C ATOM 343 NE ARG A 25 22.139 4.215 3.013 1.00 0.80 N ATOM 344 CZ ARG A 25 22.744 5.327 3.433 1.00 1.41 C ATOM 345 NH1 ARG A 25 22.870 6.372 2.622 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.217 5.397 4.671 1.00 1.42 N ATOM 0 H ARG A 25 17.054 3.316 0.948 1.00 0.21 H new ATOM 0 HA ARG A 25 19.379 4.997 0.253 1.00 0.24 H new ATOM 0 HB2 ARG A 25 19.259 1.963 0.239 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.539 2.918 -0.483 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.789 3.139 2.447 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.978 1.994 1.859 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.361 3.793 0.972 1.00 0.73 H new ATOM 0 HD3 ARG A 25 21.130 4.983 1.344 1.00 0.73 H new ATOM 0 HE ARG A 25 22.070 3.434 3.666 1.00 0.80 H new ATOM 0 HH11 ARG A 25 22.503 6.327 1.671 1.00 2.18 H new ATOM 0 HH12 ARG A 25 23.334 7.219 2.950 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.118 4.601 5.301 1.00 1.42 H new ATOM 0 HH22 ARG A 25 23.680 6.247 4.993 1.00 1.42 H new ATOM 360 N ASP A 26 18.716 5.007 -2.100 1.00 0.23 N ATOM 361 CA ASP A 26 18.197 5.206 -3.449 1.00 0.25 C ATOM 362 C ASP A 26 18.649 4.085 -4.372 1.00 0.24 C ATOM 363 O ASP A 26 19.708 3.485 -4.177 1.00 0.32 O ATOM 364 CB ASP A 26 18.648 6.559 -4.015 1.00 0.31 C ATOM 365 CG ASP A 26 20.128 6.606 -4.344 1.00 0.78 C ATOM 366 OD1 ASP A 26 20.947 6.805 -3.419 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.483 6.427 -5.527 1.00 1.54 O ATOM 0 H ASP A 26 19.467 5.650 -1.847 1.00 0.23 H new ATOM 0 HA ASP A 26 17.109 5.196 -3.390 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.075 6.778 -4.916 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.418 7.342 -3.293 1.00 0.31 H new ATOM 372 N GLY A 27 17.835 3.807 -5.368 1.00 0.24 N ATOM 373 CA GLY A 27 18.117 2.744 -6.293 1.00 0.26 C ATOM 374 C GLY A 27 16.853 2.002 -6.633 1.00 0.21 C ATOM 375 O GLY A 27 15.839 2.620 -6.948 1.00 0.23 O ATOM 0 H GLY A 27 16.967 4.310 -5.554 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.564 3.151 -7.200 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.845 2.058 -5.859 1.00 0.26 H new ATOM 379 N ALA A 28 16.890 0.692 -6.531 1.00 0.19 N ATOM 380 CA ALA A 28 15.722 -0.122 -6.812 1.00 0.18 C ATOM 381 C ALA A 28 15.652 -1.303 -5.858 1.00 0.24 C ATOM 382 O ALA A 28 16.678 -1.866 -5.478 1.00 0.45 O ATOM 383 CB ALA A 28 15.734 -0.594 -8.256 1.00 0.21 C ATOM 0 H ALA A 28 17.718 0.164 -6.255 1.00 0.19 H new ATOM 0 HA ALA A 28 14.832 0.489 -6.662 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.850 -1.203 -8.447 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.731 0.270 -8.921 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.630 -1.188 -8.437 1.00 0.21 H new ATOM 389 N GLY A 29 14.442 -1.671 -5.478 1.00 0.15 N ATOM 390 CA GLY A 29 14.240 -2.767 -4.566 1.00 0.19 C ATOM 391 C GLY A 29 12.997 -3.533 -4.933 1.00 0.17 C ATOM 392 O GLY A 29 12.306 -3.168 -5.882 1.00 0.21 O ATOM 0 H GLY A 29 13.583 -1.220 -5.793 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.104 -3.431 -4.589 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.155 -2.390 -3.547 1.00 0.19 H new ATOM 396 N SER A 30 12.685 -4.562 -4.179 1.00 0.15 N ATOM 397 CA SER A 30 11.551 -5.406 -4.509 1.00 0.15 C ATOM 398 C SER A 30 10.609 -5.545 -3.321 1.00 0.13 C ATOM 399 O SER A 30 11.044 -5.686 -2.178 1.00 0.14 O ATOM 400 CB SER A 30 12.028 -6.773 -4.987 1.00 0.20 C ATOM 401 OG SER A 30 12.940 -7.359 -4.067 1.00 0.23 O ATOM 0 H SER A 30 13.194 -4.837 -3.339 1.00 0.15 H new ATOM 0 HA SER A 30 10.996 -4.932 -5.319 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.170 -7.432 -5.120 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.507 -6.672 -5.961 1.00 0.20 H new ATOM 0 HG SER A 30 12.457 -7.640 -3.262 1.00 0.23 H new ATOM 407 N TYR A 31 9.318 -5.487 -3.609 1.00 0.13 N ATOM 408 CA TYR A 31 8.286 -5.484 -2.584 1.00 0.11 C ATOM 409 C TYR A 31 6.955 -5.990 -3.154 1.00 0.13 C ATOM 410 O TYR A 31 6.761 -6.026 -4.371 1.00 0.18 O ATOM 411 CB TYR A 31 8.146 -4.080 -1.995 1.00 0.10 C ATOM 412 CG TYR A 31 8.866 -2.997 -2.775 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.336 -2.530 -3.967 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.066 -2.429 -2.318 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.964 -1.541 -4.686 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.694 -1.431 -3.039 1.00 0.09 C ATOM 417 CZ TYR A 31 10.137 -0.993 -4.220 1.00 0.11 C ATOM 418 OH TYR A 31 10.751 0.004 -4.937 1.00 0.13 O ATOM 0 H TYR A 31 8.956 -5.441 -4.561 1.00 0.13 H new ATOM 0 HA TYR A 31 8.576 -6.164 -1.783 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.087 -3.827 -1.939 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.526 -4.088 -0.974 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.413 -2.951 -4.338 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.503 -2.776 -1.393 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.537 -1.194 -5.616 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.615 -0.998 -2.679 1.00 0.09 H new ATOM 0 HH TYR A 31 11.411 -0.389 -5.546 1.00 0.13 H new ATOM 428 N LYS A 32 6.053 -6.389 -2.266 1.00 0.13 N ATOM 429 CA LYS A 32 4.802 -7.048 -2.647 1.00 0.14 C ATOM 430 C LYS A 32 3.611 -6.490 -1.871 1.00 0.14 C ATOM 431 O LYS A 32 3.493 -6.699 -0.664 1.00 0.13 O ATOM 432 CB LYS A 32 4.911 -8.554 -2.374 1.00 0.16 C ATOM 433 CG LYS A 32 5.713 -8.879 -1.133 1.00 0.17 C ATOM 434 CD LYS A 32 7.144 -9.252 -1.477 1.00 0.25 C ATOM 435 CE LYS A 32 7.243 -10.708 -1.885 1.00 0.40 C ATOM 436 NZ LYS A 32 7.044 -11.614 -0.722 1.00 1.26 N ATOM 0 H LYS A 32 6.165 -6.266 -1.260 1.00 0.13 H new ATOM 0 HA LYS A 32 4.639 -6.862 -3.709 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.909 -8.971 -2.271 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.372 -9.040 -3.234 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.711 -8.020 -0.462 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.240 -9.702 -0.598 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.504 -8.618 -2.288 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.788 -9.067 -0.618 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.496 -10.925 -2.649 1.00 0.40 H new ATOM 0 HE3 LYS A 32 8.219 -10.896 -2.332 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 7.813 -12.313 -0.691 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 7.046 -11.057 0.156 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 6.133 -12.106 -0.817 1.00 1.26 H new ATOM 450 N LEU A 33 2.711 -5.813 -2.563 1.00 0.17 N ATOM 451 CA LEU A 33 1.528 -5.268 -1.922 1.00 0.17 C ATOM 452 C LEU A 33 0.330 -6.176 -2.136 1.00 0.19 C ATOM 453 O LEU A 33 -0.026 -6.511 -3.265 1.00 0.27 O ATOM 454 CB LEU A 33 1.188 -3.877 -2.429 1.00 0.22 C ATOM 455 CG LEU A 33 -0.129 -3.335 -1.874 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.156 -3.401 -0.353 1.00 0.55 C ATOM 457 CD2 LEU A 33 -0.325 -1.921 -2.323 1.00 0.49 C ATOM 0 H LEU A 33 2.776 -5.628 -3.564 1.00 0.17 H new ATOM 0 HA LEU A 33 1.758 -5.201 -0.859 1.00 0.17 H new ATOM 0 HB2 LEU A 33 1.995 -3.194 -2.163 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.134 -3.898 -3.517 1.00 0.22 H new ATOM 0 HG LEU A 33 -0.939 -3.957 -2.256 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.105 -3.008 0.011 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.044 -4.437 -0.032 1.00 0.55 H new ATOM 0 HD13 LEU A 33 0.662 -2.805 0.052 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -1.265 -1.540 -1.925 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.499 -1.306 -1.960 1.00 0.49 H new ATOM 0 HD23 LEU A 33 -0.352 -1.885 -3.412 1.00 0.49 H new ATOM 469 N ALA A 34 -0.280 -6.572 -1.042 1.00 0.16 N ATOM 470 CA ALA A 34 -1.522 -7.312 -1.087 1.00 0.19 C ATOM 471 C ALA A 34 -2.632 -6.492 -0.439 1.00 0.18 C ATOM 472 O ALA A 34 -2.567 -6.159 0.743 1.00 0.25 O ATOM 473 CB ALA A 34 -1.368 -8.662 -0.408 1.00 0.25 C ATOM 0 H ALA A 34 0.068 -6.392 -0.100 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.789 -7.497 -2.127 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.314 -9.202 -0.453 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.596 -9.239 -0.917 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.084 -8.515 0.634 1.00 0.25 H new ATOM 479 N VAL A 35 -3.642 -6.164 -1.222 1.00 0.16 N ATOM 480 CA VAL A 35 -4.730 -5.316 -0.761 1.00 0.14 C ATOM 481 C VAL A 35 -5.974 -6.156 -0.525 1.00 0.16 C ATOM 482 O VAL A 35 -6.231 -7.118 -1.247 1.00 0.23 O ATOM 483 CB VAL A 35 -5.036 -4.188 -1.781 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.131 -3.259 -1.273 1.00 0.13 C ATOM 485 CG2 VAL A 35 -3.777 -3.396 -2.090 1.00 0.21 C ATOM 0 H VAL A 35 -3.734 -6.474 -2.189 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.424 -4.849 0.175 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.393 -4.658 -2.697 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.320 -2.481 -2.012 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.044 -3.830 -1.106 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.814 -2.800 -0.337 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.009 -2.609 -2.807 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.394 -2.950 -1.172 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.023 -4.061 -2.512 1.00 0.21 H new ATOM 495 N ASP A 36 -6.726 -5.799 0.498 1.00 0.19 N ATOM 496 CA ASP A 36 -7.902 -6.549 0.892 1.00 0.24 C ATOM 497 C ASP A 36 -9.114 -5.644 0.960 1.00 0.25 C ATOM 498 O ASP A 36 -9.185 -4.741 1.786 1.00 0.31 O ATOM 499 CB ASP A 36 -7.680 -7.205 2.251 1.00 0.33 C ATOM 500 CG ASP A 36 -7.065 -8.581 2.141 1.00 1.05 C ATOM 501 OD1 ASP A 36 -5.831 -8.683 1.962 1.00 1.52 O ATOM 502 OD2 ASP A 36 -7.814 -9.574 2.251 1.00 1.67 O ATOM 0 H ASP A 36 -6.539 -4.982 1.079 1.00 0.19 H new ATOM 0 HA ASP A 36 -8.078 -7.321 0.143 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -7.033 -6.569 2.855 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -8.633 -7.278 2.774 1.00 0.33 H new ATOM 507 N LYS A 37 -10.066 -5.887 0.089 1.00 0.28 N ATOM 508 CA LYS A 37 -11.290 -5.130 0.082 1.00 0.33 C ATOM 509 C LYS A 37 -12.406 -5.951 0.694 1.00 0.46 C ATOM 510 O LYS A 37 -12.519 -7.137 0.426 1.00 0.63 O ATOM 511 CB LYS A 37 -11.615 -4.712 -1.339 1.00 0.42 C ATOM 512 CG LYS A 37 -13.092 -4.631 -1.629 1.00 0.95 C ATOM 513 CD LYS A 37 -13.374 -4.064 -3.015 1.00 0.77 C ATOM 514 CE LYS A 37 -12.881 -4.984 -4.119 1.00 1.13 C ATOM 515 NZ LYS A 37 -13.262 -4.491 -5.465 1.00 1.34 N ATOM 0 H LYS A 37 -10.012 -6.610 -0.628 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.175 -4.228 0.683 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -11.163 -3.740 -1.534 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -11.157 -5.421 -2.029 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.532 -5.625 -1.548 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.575 -4.007 -0.877 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -14.446 -3.903 -3.129 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.893 -3.091 -3.113 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.796 -5.073 -4.059 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -13.292 -5.983 -3.969 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -12.906 -5.148 -6.189 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -14.298 -4.430 -5.532 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -12.849 -3.549 -5.619 1.00 1.34 H new ATOM 622 N ILE A 46 -6.244 -8.701 -3.425 1.00 0.38 N ATOM 623 CA ILE A 46 -5.450 -8.176 -4.525 1.00 0.33 C ATOM 624 C ILE A 46 -3.963 -8.387 -4.254 1.00 0.30 C ATOM 625 O ILE A 46 -3.481 -8.057 -3.177 1.00 0.34 O ATOM 626 CB ILE A 46 -5.713 -6.676 -4.740 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.163 -6.436 -5.160 1.00 0.44 C ATOM 628 CG2 ILE A 46 -4.765 -6.122 -5.782 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.112 -6.214 -4.003 1.00 0.40 C ATOM 0 HA ILE A 46 -5.742 -8.716 -5.426 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.540 -6.158 -3.797 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.200 -5.568 -5.818 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.508 -7.292 -5.740 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -4.962 -5.059 -5.925 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.737 -6.259 -5.448 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -4.913 -6.648 -6.725 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.120 -6.051 -4.385 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.107 -7.090 -3.355 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -7.794 -5.340 -3.434 1.00 0.40 H new ATOM 641 N LYS A 47 -3.243 -8.945 -5.216 1.00 0.31 N ATOM 642 CA LYS A 47 -1.808 -9.161 -5.063 1.00 0.38 C ATOM 643 C LYS A 47 -1.018 -8.463 -6.164 1.00 0.41 C ATOM 644 O LYS A 47 -1.161 -8.789 -7.345 1.00 0.51 O ATOM 645 CB LYS A 47 -1.474 -10.651 -5.074 1.00 0.51 C ATOM 646 CG LYS A 47 -1.297 -11.266 -3.693 1.00 0.91 C ATOM 647 CD LYS A 47 -2.605 -11.341 -2.928 1.00 1.56 C ATOM 648 CE LYS A 47 -2.406 -11.953 -1.551 1.00 2.17 C ATOM 649 NZ LYS A 47 -1.868 -13.337 -1.626 1.00 2.74 N ATOM 0 H LYS A 47 -3.625 -9.256 -6.109 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.524 -8.735 -4.101 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.267 -11.185 -5.597 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -0.558 -10.801 -5.645 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -0.879 -12.268 -3.794 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -0.578 -10.676 -3.124 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -3.027 -10.341 -2.826 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -3.325 -11.935 -3.492 1.00 1.56 H new ATOM 0 HE2 LYS A 47 -1.723 -11.330 -0.973 1.00 2.17 H new ATOM 0 HE3 LYS A 47 -3.357 -11.963 -1.018 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 -1.969 -13.799 -0.700 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 -2.396 -13.876 -2.342 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 -0.862 -13.305 -1.889 1.00 2.74 H new ATOM 663 N GLN A 48 -0.190 -7.501 -5.775 1.00 0.40 N ATOM 664 CA GLN A 48 0.714 -6.837 -6.704 1.00 0.47 C ATOM 665 C GLN A 48 2.146 -6.930 -6.189 1.00 0.50 C ATOM 666 O GLN A 48 2.470 -6.372 -5.145 1.00 0.78 O ATOM 667 CB GLN A 48 0.322 -5.372 -6.890 1.00 0.52 C ATOM 668 CG GLN A 48 -1.065 -5.182 -7.479 1.00 0.55 C ATOM 669 CD GLN A 48 -1.268 -5.945 -8.776 1.00 0.82 C ATOM 670 OE1 GLN A 48 -0.328 -6.169 -9.543 1.00 1.63 O ATOM 671 NE2 GLN A 48 -2.501 -6.352 -9.029 1.00 1.37 N ATOM 0 H GLN A 48 -0.127 -7.162 -4.815 1.00 0.40 H new ATOM 0 HA GLN A 48 0.644 -7.337 -7.670 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.370 -4.867 -5.925 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.052 -4.889 -7.539 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -1.810 -5.507 -6.752 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.236 -4.120 -7.658 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -3.251 -6.147 -8.369 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -2.701 -6.871 -9.884 1.00 1.37 H new ATOM 680 N ALA A 49 3.002 -7.621 -6.923 1.00 0.32 N ATOM 681 CA ALA A 49 4.367 -7.856 -6.470 1.00 0.31 C ATOM 682 C ALA A 49 5.372 -7.603 -7.582 1.00 0.31 C ATOM 683 O ALA A 49 5.115 -7.910 -8.749 1.00 0.39 O ATOM 684 CB ALA A 49 4.507 -9.279 -5.950 1.00 0.33 C ATOM 0 H ALA A 49 2.780 -8.028 -7.831 1.00 0.32 H new ATOM 0 HA ALA A 49 4.579 -7.155 -5.662 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.531 -9.445 -5.614 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.822 -9.431 -5.116 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.269 -9.983 -6.747 1.00 0.33 H new ATOM 690 N GLY A 50 6.520 -7.052 -7.218 1.00 0.25 N ATOM 691 CA GLY A 50 7.555 -6.788 -8.192 1.00 0.26 C ATOM 692 C GLY A 50 8.668 -5.945 -7.623 1.00 0.23 C ATOM 693 O GLY A 50 8.855 -5.888 -6.406 1.00 0.25 O ATOM 0 H GLY A 50 6.753 -6.783 -6.262 1.00 0.25 H new ATOM 0 HA2 GLY A 50 7.964 -7.733 -8.551 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.121 -6.281 -9.053 1.00 0.26 H new ATOM 697 N ALA A 51 9.406 -5.288 -8.496 1.00 0.23 N ATOM 698 CA ALA A 51 10.500 -4.444 -8.076 1.00 0.21 C ATOM 699 C ALA A 51 10.398 -3.079 -8.740 1.00 0.23 C ATOM 700 O ALA A 51 10.125 -2.975 -9.941 1.00 0.38 O ATOM 701 CB ALA A 51 11.828 -5.100 -8.393 1.00 0.23 C ATOM 0 H ALA A 51 9.264 -5.325 -9.505 1.00 0.23 H new ATOM 0 HA ALA A 51 10.440 -4.305 -6.997 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.641 -4.450 -8.070 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.896 -6.054 -7.870 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.903 -5.268 -9.467 1.00 0.23 H new ATOM 707 N PHE A 52 10.615 -2.042 -7.958 1.00 0.15 N ATOM 708 CA PHE A 52 10.496 -0.677 -8.430 1.00 0.16 C ATOM 709 C PHE A 52 11.659 0.149 -7.878 1.00 0.14 C ATOM 710 O PHE A 52 12.472 -0.358 -7.099 1.00 0.16 O ATOM 711 CB PHE A 52 9.134 -0.112 -7.998 1.00 0.17 C ATOM 712 CG PHE A 52 8.850 1.301 -8.429 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.687 1.622 -9.767 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.754 2.310 -7.484 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.430 2.924 -10.153 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.499 3.613 -7.862 1.00 0.18 C ATOM 717 CZ PHE A 52 8.337 3.921 -9.199 1.00 0.23 C ATOM 0 H PHE A 52 10.879 -2.121 -6.976 1.00 0.15 H new ATOM 0 HA PHE A 52 10.545 -0.639 -9.518 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.351 -0.758 -8.394 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.069 -0.161 -6.911 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.762 0.847 -10.516 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.880 2.074 -6.438 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.302 3.163 -11.199 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.426 4.389 -7.115 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.138 4.939 -9.499 1.00 0.23 H new ATOM 727 N THR A 53 11.742 1.403 -8.279 1.00 0.15 N ATOM 728 CA THR A 53 12.826 2.266 -7.861 1.00 0.16 C ATOM 729 C THR A 53 12.481 2.991 -6.574 1.00 0.16 C ATOM 730 O THR A 53 11.456 3.664 -6.483 1.00 0.27 O ATOM 731 CB THR A 53 13.166 3.292 -8.944 1.00 0.21 C ATOM 732 OG1 THR A 53 12.064 3.435 -9.853 1.00 0.43 O ATOM 733 CG2 THR A 53 14.424 2.879 -9.688 1.00 0.40 C ATOM 0 H THR A 53 11.065 1.848 -8.899 1.00 0.15 H new ATOM 0 HA THR A 53 13.695 1.630 -7.690 1.00 0.16 H new ATOM 0 HB THR A 53 13.351 4.256 -8.469 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.291 4.095 -10.541 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.653 3.619 -10.455 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.256 2.814 -8.987 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.267 1.907 -10.156 1.00 0.40 H new ATOM 741 N ALA A 54 13.345 2.860 -5.589 1.00 0.13 N ATOM 742 CA ALA A 54 13.108 3.467 -4.301 1.00 0.13 C ATOM 743 C ALA A 54 14.198 4.477 -3.977 1.00 0.14 C ATOM 744 O ALA A 54 15.382 4.200 -4.151 1.00 0.23 O ATOM 745 CB ALA A 54 13.008 2.402 -3.224 1.00 0.15 C ATOM 0 H ALA A 54 14.218 2.337 -5.658 1.00 0.13 H new ATOM 0 HA ALA A 54 12.158 4.001 -4.336 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.829 2.876 -2.259 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.184 1.727 -3.455 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.939 1.837 -3.184 1.00 0.15 H new ATOM 751 N ILE A 55 13.790 5.652 -3.527 1.00 0.17 N ATOM 752 CA ILE A 55 14.723 6.722 -3.219 1.00 0.18 C ATOM 753 C ILE A 55 15.008 6.791 -1.736 1.00 0.16 C ATOM 754 O ILE A 55 14.106 6.638 -0.912 1.00 0.14 O ATOM 755 CB ILE A 55 14.187 8.071 -3.694 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.115 8.070 -5.211 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.057 9.205 -3.189 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.058 9.045 -5.872 1.00 0.33 C ATOM 0 H ILE A 55 12.811 5.890 -3.366 1.00 0.17 H new ATOM 0 HA ILE A 55 15.651 6.500 -3.747 1.00 0.18 H new ATOM 0 HB ILE A 55 13.187 8.226 -3.290 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.334 7.066 -5.574 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.095 8.304 -5.516 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.656 10.156 -3.540 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.069 9.197 -2.099 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.073 9.079 -3.564 1.00 0.23 H new ATOM 0 HD11 ILE A 55 14.946 8.983 -6.954 1.00 0.33 H new ATOM 0 HD12 ILE A 55 14.826 10.057 -5.540 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.085 8.800 -5.599 1.00 0.33 H new ATOM 770 N ALA A 56 16.269 7.039 -1.418 1.00 0.17 N ATOM 771 CA ALA A 56 16.723 7.089 -0.036 1.00 0.18 C ATOM 772 C ALA A 56 15.998 8.153 0.767 1.00 0.17 C ATOM 773 O ALA A 56 15.961 9.321 0.377 1.00 0.20 O ATOM 774 CB ALA A 56 18.216 7.316 0.054 1.00 0.22 C ATOM 0 H ALA A 56 17.003 7.210 -2.105 1.00 0.17 H new ATOM 0 HA ALA A 56 16.488 6.115 0.394 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.517 7.347 1.101 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.739 6.503 -0.450 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.470 8.262 -0.425 1.00 0.22 H new ATOM 780 N GLU A 57 15.402 7.716 1.875 1.00 0.16 N ATOM 781 CA GLU A 57 14.740 8.594 2.829 1.00 0.18 C ATOM 782 C GLU A 57 13.524 9.260 2.195 1.00 0.19 C ATOM 783 O GLU A 57 12.987 10.244 2.701 1.00 0.28 O ATOM 784 CB GLU A 57 15.738 9.612 3.354 1.00 0.23 C ATOM 785 CG GLU A 57 16.940 8.949 4.012 1.00 0.27 C ATOM 786 CD GLU A 57 16.668 8.503 5.430 1.00 0.74 C ATOM 787 OE1 GLU A 57 15.865 7.571 5.625 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.271 9.072 6.363 1.00 0.75 O ATOM 0 H GLU A 57 15.367 6.730 2.135 1.00 0.16 H new ATOM 0 HA GLU A 57 14.375 8.008 3.673 1.00 0.18 H new ATOM 0 HB2 GLU A 57 16.077 10.243 2.533 1.00 0.23 H new ATOM 0 HB3 GLU A 57 15.245 10.264 4.075 1.00 0.23 H new ATOM 0 HG2 GLU A 57 17.242 8.087 3.418 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.778 9.646 4.011 1.00 0.27 H new ATOM 795 N GLN A 58 13.099 8.684 1.084 1.00 0.16 N ATOM 796 CA GLN A 58 11.932 9.110 0.366 1.00 0.18 C ATOM 797 C GLN A 58 10.865 8.052 0.467 1.00 0.17 C ATOM 798 O GLN A 58 11.158 6.864 0.615 1.00 0.19 O ATOM 799 CB GLN A 58 12.256 9.353 -1.089 1.00 0.20 C ATOM 800 CG GLN A 58 12.509 10.811 -1.419 1.00 0.28 C ATOM 801 CD GLN A 58 12.037 11.778 -0.348 1.00 0.70 C ATOM 802 OE1 GLN A 58 10.881 12.188 -0.337 1.00 1.38 O ATOM 803 NE2 GLN A 58 12.941 12.190 0.526 1.00 1.48 N ATOM 0 H GLN A 58 13.573 7.890 0.654 1.00 0.16 H new ATOM 0 HA GLN A 58 11.577 10.042 0.806 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.137 8.770 -1.359 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.432 8.988 -1.702 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.577 10.956 -1.580 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.010 11.052 -2.357 1.00 0.28 H new ATOM 0 HE21 GLN A 58 13.893 11.826 0.485 1.00 1.48 H new ATOM 0 HE22 GLN A 58 12.686 12.872 1.241 1.00 1.48 H new ATOM 812 N ARG A 59 9.639 8.487 0.394 1.00 0.16 N ATOM 813 CA ARG A 59 8.513 7.579 0.412 1.00 0.17 C ATOM 814 C ARG A 59 8.152 7.143 -1.000 1.00 0.17 C ATOM 815 O ARG A 59 7.965 7.976 -1.888 1.00 0.22 O ATOM 816 CB ARG A 59 7.325 8.199 1.085 1.00 0.24 C ATOM 817 CG ARG A 59 7.215 7.740 2.516 1.00 0.30 C ATOM 818 CD ARG A 59 7.015 8.893 3.436 1.00 0.44 C ATOM 819 NE ARG A 59 6.335 8.496 4.670 1.00 1.37 N ATOM 820 CZ ARG A 59 5.930 9.346 5.610 1.00 1.72 C ATOM 821 NH1 ARG A 59 6.211 10.638 5.510 1.00 1.51 N ATOM 822 NH2 ARG A 59 5.250 8.899 6.657 1.00 2.72 N ATOM 0 H ARG A 59 9.386 9.472 0.321 1.00 0.16 H new ATOM 0 HA ARG A 59 8.806 6.699 0.985 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.410 9.285 1.053 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.417 7.935 0.544 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.382 7.044 2.615 1.00 0.30 H new ATOM 0 HG3 ARG A 59 8.118 7.199 2.798 1.00 0.30 H new ATOM 0 HD2 ARG A 59 7.981 9.334 3.680 1.00 0.44 H new ATOM 0 HD3 ARG A 59 6.431 9.663 2.931 1.00 0.44 H new ATOM 0 HE ARG A 59 6.160 7.502 4.819 1.00 1.37 H new ATOM 0 HH11 ARG A 59 6.740 10.984 4.710 1.00 1.51 H new ATOM 0 HH12 ARG A 59 5.898 11.285 6.233 1.00 1.51 H new ATOM 0 HH21 ARG A 59 5.038 7.905 6.741 1.00 2.72 H new ATOM 0 HH22 ARG A 59 4.939 9.549 7.379 1.00 2.72 H new ATOM 836 N VAL A 60 8.064 5.844 -1.203 1.00 0.13 N ATOM 837 CA VAL A 60 7.783 5.285 -2.506 1.00 0.14 C ATOM 838 C VAL A 60 6.495 4.487 -2.456 1.00 0.13 C ATOM 839 O VAL A 60 6.435 3.440 -1.828 1.00 0.12 O ATOM 840 CB VAL A 60 8.963 4.395 -2.972 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.578 3.550 -4.178 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.160 5.271 -3.300 1.00 0.15 C ATOM 0 H VAL A 60 8.186 5.148 -0.468 1.00 0.13 H new ATOM 0 HA VAL A 60 7.662 6.095 -3.225 1.00 0.14 H new ATOM 0 HB VAL A 60 9.222 3.713 -2.162 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.428 2.938 -4.479 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.740 2.904 -3.917 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.290 4.202 -5.002 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.990 4.645 -3.628 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.894 5.967 -4.096 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.456 5.830 -2.412 1.00 0.15 H new ATOM 852 N THR A 61 5.460 4.976 -3.113 1.00 0.15 N ATOM 853 CA THR A 61 4.173 4.325 -3.025 1.00 0.15 C ATOM 854 C THR A 61 4.058 3.220 -4.055 1.00 0.16 C ATOM 855 O THR A 61 4.298 3.424 -5.248 1.00 0.19 O ATOM 856 CB THR A 61 3.005 5.311 -3.164 1.00 0.17 C ATOM 857 OG1 THR A 61 3.353 6.582 -2.591 1.00 0.19 O ATOM 858 CG2 THR A 61 1.784 4.751 -2.462 1.00 0.19 C ATOM 0 H THR A 61 5.486 5.808 -3.703 1.00 0.15 H new ATOM 0 HA THR A 61 4.109 3.889 -2.028 1.00 0.15 H new ATOM 0 HB THR A 61 2.785 5.453 -4.222 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.600 7.202 -2.688 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.954 5.451 -2.561 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.510 3.798 -2.914 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.008 4.601 -1.406 1.00 0.19 H new ATOM 866 N VAL A 62 3.688 2.049 -3.575 1.00 0.15 N ATOM 867 CA VAL A 62 3.780 0.839 -4.350 1.00 0.15 C ATOM 868 C VAL A 62 2.459 0.082 -4.407 1.00 0.15 C ATOM 869 O VAL A 62 1.731 0.016 -3.421 1.00 0.16 O ATOM 870 CB VAL A 62 4.899 -0.054 -3.760 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.709 -1.537 -4.072 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.253 0.436 -4.247 1.00 0.16 C ATOM 0 H VAL A 62 3.315 1.915 -2.635 1.00 0.15 H new ATOM 0 HA VAL A 62 4.023 1.111 -5.377 1.00 0.15 H new ATOM 0 HB VAL A 62 4.847 0.032 -2.675 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.525 -2.109 -3.631 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.761 -1.878 -3.656 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.705 -1.684 -5.152 1.00 0.14 H new ATOM 0 HG21 VAL A 62 7.039 -0.194 -3.831 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.288 0.388 -5.335 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.405 1.466 -3.925 1.00 0.16 H new ATOM 882 N GLY A 63 2.157 -0.469 -5.581 1.00 0.18 N ATOM 883 CA GLY A 63 0.984 -1.304 -5.745 1.00 0.21 C ATOM 884 C GLY A 63 -0.253 -0.506 -6.090 1.00 0.20 C ATOM 885 O GLY A 63 -0.946 -0.019 -5.205 1.00 0.28 O ATOM 0 H GLY A 63 2.712 -0.348 -6.428 1.00 0.18 H new ATOM 0 HA2 GLY A 63 1.171 -2.036 -6.531 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.808 -1.861 -4.825 1.00 0.21 H new ATOM 889 N ASN A 64 -0.535 -0.373 -7.378 1.00 0.33 N ATOM 890 CA ASN A 64 -1.691 0.389 -7.820 1.00 0.40 C ATOM 891 C ASN A 64 -2.923 -0.501 -7.845 1.00 0.37 C ATOM 892 O ASN A 64 -3.060 -1.367 -8.712 1.00 0.52 O ATOM 893 CB ASN A 64 -1.462 0.970 -9.223 1.00 0.67 C ATOM 894 CG ASN A 64 -0.266 1.901 -9.306 1.00 1.31 C ATOM 895 OD1 ASN A 64 0.092 2.573 -8.340 1.00 2.17 O ATOM 896 ND2 ASN A 64 0.359 1.951 -10.473 1.00 1.98 N ATOM 0 H ASN A 64 0.019 -0.781 -8.131 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.841 1.209 -7.118 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -1.324 0.151 -9.929 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -2.356 1.511 -9.534 1.00 0.67 H new ATOM 0 HD21 ASN A 64 1.167 2.562 -10.593 1.00 1.98 H new ATOM 0 HD22 ASN A 64 0.032 1.378 -11.251 1.00 1.98 H new ATOM 903 N VAL A 65 -3.816 -0.290 -6.896 1.00 0.25 N ATOM 904 CA VAL A 65 -5.077 -1.014 -6.864 1.00 0.33 C ATOM 905 C VAL A 65 -6.230 -0.035 -6.716 1.00 0.27 C ATOM 906 O VAL A 65 -6.342 0.646 -5.703 1.00 0.35 O ATOM 907 CB VAL A 65 -5.113 -2.032 -5.710 1.00 0.43 C ATOM 908 CG1 VAL A 65 -6.358 -2.901 -5.794 1.00 1.29 C ATOM 909 CG2 VAL A 65 -3.849 -2.879 -5.705 1.00 1.10 C ATOM 0 H VAL A 65 -3.693 0.378 -6.135 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.174 -1.560 -7.802 1.00 0.33 H new ATOM 0 HB VAL A 65 -5.155 -1.484 -4.769 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -6.361 -3.613 -4.968 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -7.246 -2.271 -5.734 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -6.360 -3.443 -6.740 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -3.893 -3.593 -4.882 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -3.768 -3.418 -6.649 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -2.979 -2.234 -5.580 1.00 1.10 H new ATOM 919 N VAL A 66 -7.075 0.052 -7.730 1.00 0.25 N ATOM 920 CA VAL A 66 -8.154 1.028 -7.719 1.00 0.23 C ATOM 921 C VAL A 66 -9.496 0.373 -7.427 1.00 0.24 C ATOM 922 O VAL A 66 -9.962 -0.495 -8.168 1.00 0.27 O ATOM 923 CB VAL A 66 -8.235 1.812 -9.045 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.362 2.835 -9.000 1.00 0.30 C ATOM 925 CG2 VAL A 66 -6.909 2.496 -9.332 1.00 0.29 C ATOM 0 H VAL A 66 -7.037 -0.534 -8.564 1.00 0.25 H new ATOM 0 HA VAL A 66 -7.925 1.731 -6.918 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.448 1.107 -9.849 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.400 3.376 -9.946 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.311 2.324 -8.836 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.183 3.538 -8.187 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -6.979 3.046 -10.270 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.674 3.187 -8.523 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.122 1.746 -9.409 1.00 0.29 H new ATOM 935 N LEU A 67 -10.102 0.807 -6.336 1.00 0.22 N ATOM 936 CA LEU A 67 -11.397 0.315 -5.904 1.00 0.23 C ATOM 937 C LEU A 67 -12.440 1.400 -6.143 1.00 0.24 C ATOM 938 O LEU A 67 -12.094 2.561 -6.385 1.00 0.26 O ATOM 939 CB LEU A 67 -11.400 -0.015 -4.405 1.00 0.21 C ATOM 940 CG LEU A 67 -10.230 -0.833 -3.837 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.983 -2.092 -4.656 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.957 0.002 -3.715 1.00 0.18 C ATOM 0 H LEU A 67 -9.705 1.517 -5.720 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.620 -0.590 -6.469 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.444 0.926 -3.857 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.321 -0.555 -4.185 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.515 -1.139 -2.830 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.149 -2.647 -4.227 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.878 -2.715 -4.645 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.745 -1.817 -5.684 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.155 -0.615 -3.310 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.669 0.372 -4.699 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.138 0.846 -3.049 1.00 0.18 H new ATOM 954 N ASP A 68 -13.711 1.036 -6.086 1.00 0.26 N ATOM 955 CA ASP A 68 -14.767 2.034 -6.022 1.00 0.28 C ATOM 956 C ASP A 68 -14.781 2.612 -4.612 1.00 0.28 C ATOM 957 O ASP A 68 -14.634 1.876 -3.639 1.00 0.30 O ATOM 958 CB ASP A 68 -16.137 1.443 -6.394 1.00 0.32 C ATOM 959 CG ASP A 68 -16.771 0.623 -5.287 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.408 -0.564 -5.141 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.608 1.167 -4.538 1.00 1.25 O ATOM 0 H ASP A 68 -14.034 0.069 -6.083 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.569 2.821 -6.750 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.812 2.256 -6.663 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.024 0.816 -7.278 1.00 0.32 H new ATOM 966 N TYR A 69 -14.920 3.918 -4.491 1.00 0.28 N ATOM 967 CA TYR A 69 -14.798 4.556 -3.188 1.00 0.27 C ATOM 968 C TYR A 69 -16.085 4.480 -2.391 1.00 0.27 C ATOM 969 O TYR A 69 -17.143 4.898 -2.857 1.00 0.30 O ATOM 970 CB TYR A 69 -14.388 6.019 -3.325 1.00 0.29 C ATOM 971 CG TYR A 69 -14.683 6.822 -2.083 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.073 6.509 -0.878 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.578 7.881 -2.115 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.354 7.231 0.272 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.862 8.607 -0.978 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.253 8.278 0.210 1.00 0.30 C ATOM 977 OH TYR A 69 -15.557 8.986 1.346 1.00 0.33 O ATOM 0 H TYR A 69 -15.115 4.553 -5.265 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.023 4.007 -2.653 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.322 6.075 -3.545 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -14.912 6.462 -4.172 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.369 5.691 -0.834 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.060 8.141 -3.046 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.875 6.977 1.206 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.560 9.430 -1.020 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.204 9.689 1.130 1.00 0.33 H new ATOM 987 N SER A 70 -15.983 3.951 -1.183 1.00 0.25 N ATOM 988 CA SER A 70 -17.063 4.076 -0.226 1.00 0.27 C ATOM 989 C SER A 70 -16.479 4.238 1.166 1.00 0.29 C ATOM 990 O SER A 70 -15.629 3.451 1.587 1.00 0.28 O ATOM 991 CB SER A 70 -18.031 2.888 -0.278 1.00 0.30 C ATOM 992 OG SER A 70 -19.202 3.158 0.475 1.00 0.99 O ATOM 0 H SER A 70 -15.170 3.436 -0.846 1.00 0.25 H new ATOM 0 HA SER A 70 -17.647 4.959 -0.486 1.00 0.27 H new ATOM 0 HB2 SER A 70 -18.300 2.677 -1.313 1.00 0.30 H new ATOM 0 HB3 SER A 70 -17.540 1.996 0.112 1.00 0.30 H new ATOM 0 HG SER A 70 -19.807 2.388 0.427 1.00 0.99 H new ATOM 998 N SER A 71 -16.923 5.267 1.872 1.00 0.36 N ATOM 999 CA SER A 71 -16.480 5.511 3.235 1.00 0.42 C ATOM 1000 C SER A 71 -17.062 4.460 4.172 1.00 0.43 C ATOM 1001 O SER A 71 -16.662 4.339 5.330 1.00 0.50 O ATOM 1002 CB SER A 71 -16.893 6.909 3.662 1.00 0.50 C ATOM 1003 OG SER A 71 -18.260 7.155 3.370 1.00 0.54 O ATOM 0 H SER A 71 -17.594 5.950 1.520 1.00 0.36 H new ATOM 0 HA SER A 71 -15.393 5.440 3.282 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.720 7.031 4.731 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.272 7.646 3.152 1.00 0.50 H new ATOM 0 HG SER A 71 -18.498 8.061 3.657 1.00 0.54 H new ATOM 1009 N ALA A 72 -18.001 3.693 3.637 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.673 2.643 4.378 1.00 0.43 C ATOM 1011 C ALA A 72 -18.038 1.285 4.105 1.00 0.40 C ATOM 1012 O ALA A 72 -18.444 0.269 4.675 1.00 0.50 O ATOM 1013 CB ALA A 72 -20.132 2.619 3.990 1.00 0.47 C ATOM 0 H ALA A 72 -18.317 3.784 2.672 1.00 0.39 H new ATOM 0 HA ALA A 72 -18.576 2.849 5.444 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -20.643 1.831 4.544 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.587 3.581 4.225 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.221 2.427 2.921 1.00 0.47 H new ATOM 1019 N ASN A 73 -17.043 1.271 3.229 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.397 0.035 2.826 1.00 0.30 C ATOM 1021 C ASN A 73 -15.126 -0.193 3.622 1.00 0.33 C ATOM 1022 O ASN A 73 -14.471 0.758 4.053 1.00 0.47 O ATOM 1023 CB ASN A 73 -16.056 0.087 1.344 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.757 -0.994 0.541 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -17.850 -0.786 0.018 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.136 -2.160 0.442 1.00 0.95 N ATOM 0 H ASN A 73 -16.666 2.107 2.783 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.087 -0.787 3.018 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.331 1.064 0.947 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.978 -0.016 1.220 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -16.564 -2.923 -0.082 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -15.230 -2.295 0.890 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.781 -1.451 3.822 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.521 -1.798 4.445 1.00 0.35 C ATOM 1035 C ARG A 74 -12.485 -2.066 3.366 1.00 0.27 C ATOM 1036 O ARG A 74 -12.583 -3.043 2.632 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.685 -3.031 5.330 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.581 -2.815 6.540 1.00 0.73 C ATOM 1039 CD ARG A 74 -13.941 -1.880 7.554 1.00 1.02 C ATOM 1040 NE ARG A 74 -14.802 -1.659 8.714 1.00 1.49 N ATOM 1041 CZ ARG A 74 -14.370 -1.226 9.900 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.074 -1.017 10.112 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -15.237 -1.021 10.880 1.00 2.50 N ATOM 0 H ARG A 74 -15.358 -2.250 3.561 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.191 -0.968 5.070 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.094 -3.844 4.730 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.701 -3.352 5.673 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.536 -2.402 6.216 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.792 -3.774 7.012 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -12.990 -2.298 7.883 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.721 -0.924 7.078 1.00 1.02 H new ATOM 0 HE ARG A 74 -15.799 -1.848 8.610 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -12.401 -1.188 9.365 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -12.753 -0.686 11.022 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -16.230 -1.194 10.727 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -14.911 -0.690 11.788 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.521 -1.178 3.240 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.402 -1.398 2.345 1.00 0.14 C ATOM 1059 C TYR A 75 -9.130 -1.446 3.153 1.00 0.13 C ATOM 1060 O TYR A 75 -8.779 -0.477 3.816 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.307 -0.300 1.293 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.506 -0.241 0.394 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.950 -1.378 -0.245 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.204 0.943 0.199 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -13.059 -1.348 -1.055 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.317 0.983 -0.618 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.740 -0.170 -1.241 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.854 -0.153 -2.044 1.00 0.35 O ATOM 0 H TYR A 75 -11.489 -0.294 3.748 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.553 -2.344 1.824 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.186 0.662 1.791 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.414 -0.461 0.688 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.418 -2.308 -0.107 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.872 1.845 0.693 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -13.395 -2.250 -1.545 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.851 1.910 -0.767 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.771 0.568 -2.703 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.465 -2.574 3.120 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.241 -2.758 3.871 1.00 0.13 C ATOM 1080 C ALA A 76 -6.116 -3.162 2.954 1.00 0.12 C ATOM 1081 O ALA A 76 -6.336 -3.488 1.794 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.411 -3.786 4.965 1.00 0.16 C ATOM 0 H ALA A 76 -8.752 -3.388 2.576 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.996 -1.805 4.339 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.473 -3.898 5.508 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.191 -3.460 5.653 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.692 -4.743 4.525 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.909 -3.128 3.470 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.750 -3.436 2.674 1.00 0.13 C ATOM 1090 C ALA A 77 -2.686 -4.089 3.519 1.00 0.14 C ATOM 1091 O ALA A 77 -2.749 -4.049 4.737 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.210 -2.177 2.026 1.00 0.12 C ATOM 0 H ALA A 77 -4.707 -2.889 4.441 1.00 0.13 H new ATOM 0 HA ALA A 77 -4.043 -4.135 1.890 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.334 -2.423 1.427 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.976 -1.740 1.386 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.931 -1.461 2.799 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.739 -4.713 2.859 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.572 -5.264 3.507 1.00 0.16 C ATOM 1100 C ARG A 78 0.562 -5.318 2.491 1.00 0.14 C ATOM 1101 O ARG A 78 0.448 -5.955 1.447 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.887 -6.640 4.118 1.00 0.23 C ATOM 1103 CG ARG A 78 -0.802 -7.800 3.156 1.00 0.56 C ATOM 1104 CD ARG A 78 0.591 -8.398 3.183 1.00 1.56 C ATOM 1105 NE ARG A 78 0.649 -9.722 2.567 1.00 2.06 N ATOM 1106 CZ ARG A 78 1.602 -10.621 2.817 1.00 2.77 C ATOM 1107 NH1 ARG A 78 2.545 -10.368 3.719 1.00 3.25 N ATOM 1108 NH2 ARG A 78 1.595 -11.783 2.180 1.00 3.35 N ATOM 0 H ARG A 78 -1.757 -4.854 1.849 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.262 -4.630 4.337 1.00 0.16 H new ATOM 0 HB2 ARG A 78 -0.198 -6.821 4.943 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.891 -6.611 4.541 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -1.537 -8.559 3.423 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.043 -7.464 2.147 1.00 0.56 H new ATOM 0 HD2 ARG A 78 1.279 -7.730 2.664 1.00 1.56 H new ATOM 0 HD3 ARG A 78 0.932 -8.467 4.216 1.00 1.56 H new ATOM 0 HE ARG A 78 -0.085 -9.974 1.905 1.00 2.06 H new ATOM 0 HH11 ARG A 78 2.543 -9.482 4.225 1.00 3.25 H new ATOM 0 HH12 ARG A 78 3.271 -11.060 3.906 1.00 3.25 H new ATOM 0 HH21 ARG A 78 0.862 -11.988 1.501 1.00 3.35 H new ATOM 0 HH22 ARG A 78 2.322 -12.473 2.369 1.00 3.35 H new ATOM 1122 N LEU A 79 1.632 -4.595 2.748 1.00 0.17 N ATOM 1123 CA LEU A 79 2.745 -4.603 1.822 1.00 0.15 C ATOM 1124 C LEU A 79 3.949 -5.250 2.466 1.00 0.15 C ATOM 1125 O LEU A 79 4.469 -4.766 3.467 1.00 0.22 O ATOM 1126 CB LEU A 79 3.098 -3.193 1.333 1.00 0.16 C ATOM 1127 CG LEU A 79 3.735 -3.130 -0.071 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.019 -1.698 -0.471 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.001 -3.975 -0.152 1.00 0.16 C ATOM 0 H LEU A 79 1.755 -4.006 3.572 1.00 0.17 H new ATOM 0 HA LEU A 79 2.443 -5.183 0.950 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.192 -2.588 1.332 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.784 -2.738 2.048 1.00 0.16 H new ATOM 0 HG LEU A 79 3.015 -3.547 -0.775 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.468 -1.680 -1.464 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.088 -1.132 -0.483 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.707 -1.249 0.246 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.421 -3.906 -1.155 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.729 -3.610 0.572 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.759 -5.015 0.069 1.00 0.16 H new ATOM 1141 N ASP A 80 4.367 -6.347 1.878 1.00 0.12 N ATOM 1142 CA ASP A 80 5.550 -7.056 2.308 1.00 0.12 C ATOM 1143 C ASP A 80 6.739 -6.589 1.483 1.00 0.11 C ATOM 1144 O ASP A 80 6.736 -6.691 0.268 1.00 0.15 O ATOM 1145 CB ASP A 80 5.318 -8.560 2.154 1.00 0.15 C ATOM 1146 CG ASP A 80 6.510 -9.411 2.559 1.00 1.16 C ATOM 1147 OD1 ASP A 80 6.872 -9.414 3.754 1.00 1.06 O ATOM 1148 OD2 ASP A 80 7.059 -10.126 1.692 1.00 2.22 O ATOM 0 H ASP A 80 3.893 -6.775 1.083 1.00 0.12 H new ATOM 0 HA ASP A 80 5.760 -6.849 3.357 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.457 -8.848 2.756 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.067 -8.775 1.115 1.00 0.15 H new ATOM 1153 N VAL A 81 7.728 -6.012 2.118 1.00 0.09 N ATOM 1154 CA VAL A 81 8.907 -5.589 1.396 1.00 0.10 C ATOM 1155 C VAL A 81 10.035 -6.562 1.660 1.00 0.12 C ATOM 1156 O VAL A 81 10.595 -6.583 2.749 1.00 0.13 O ATOM 1157 CB VAL A 81 9.366 -4.173 1.788 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.473 -3.715 0.864 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.206 -3.189 1.776 1.00 0.09 C ATOM 0 H VAL A 81 7.744 -5.825 3.121 1.00 0.09 H new ATOM 0 HA VAL A 81 8.647 -5.571 0.338 1.00 0.10 H new ATOM 0 HB VAL A 81 9.750 -4.208 2.807 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.792 -2.712 1.148 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.317 -4.400 0.940 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.108 -3.702 -0.163 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.566 -2.199 2.057 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.774 -3.147 0.776 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.446 -3.514 2.486 1.00 0.09 H new ATOM 1169 N SER A 82 10.357 -7.363 0.669 1.00 0.14 N ATOM 1170 CA SER A 82 11.430 -8.323 0.786 1.00 0.17 C ATOM 1171 C SER A 82 12.456 -8.082 -0.315 1.00 0.20 C ATOM 1172 O SER A 82 12.232 -8.420 -1.479 1.00 0.25 O ATOM 1173 CB SER A 82 10.872 -9.747 0.708 1.00 0.21 C ATOM 1174 OG SER A 82 10.066 -9.921 -0.445 1.00 0.82 O ATOM 0 H SER A 82 9.885 -7.367 -0.235 1.00 0.14 H new ATOM 0 HA SER A 82 11.921 -8.202 1.752 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.695 -10.462 0.691 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.284 -9.959 1.601 1.00 0.21 H new ATOM 0 HG SER A 82 10.484 -9.469 -1.208 1.00 0.82 H new ATOM 1180 N PHE A 83 13.570 -7.480 0.054 1.00 0.21 N ATOM 1181 CA PHE A 83 14.612 -7.156 -0.901 1.00 0.24 C ATOM 1182 C PHE A 83 15.984 -7.396 -0.288 1.00 0.24 C ATOM 1183 O PHE A 83 16.506 -6.554 0.445 1.00 0.23 O ATOM 1184 CB PHE A 83 14.482 -5.703 -1.369 1.00 0.26 C ATOM 1185 CG PHE A 83 15.591 -5.275 -2.291 1.00 0.27 C ATOM 1186 CD1 PHE A 83 15.916 -6.031 -3.407 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.320 -4.130 -2.027 1.00 0.29 C ATOM 1188 CE1 PHE A 83 16.944 -5.647 -4.245 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.352 -3.743 -2.860 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.664 -4.502 -3.970 1.00 0.34 C ATOM 0 H PHE A 83 13.777 -7.204 1.014 1.00 0.21 H new ATOM 0 HA PHE A 83 14.499 -7.807 -1.768 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.526 -5.576 -1.878 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.469 -5.048 -0.498 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.359 -6.930 -3.623 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.080 -3.532 -1.160 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.184 -6.241 -5.114 1.00 0.34 H new ATOM 0 HE2 PHE A 83 17.914 -2.847 -2.643 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.470 -4.200 -4.622 1.00 0.34 H new ATOM 1200 N GLY A 84 16.552 -8.556 -0.575 1.00 0.30 N ATOM 1201 CA GLY A 84 17.875 -8.871 -0.082 1.00 0.34 C ATOM 1202 C GLY A 84 17.909 -9.006 1.423 1.00 0.34 C ATOM 1203 O GLY A 84 17.480 -10.020 1.976 1.00 0.41 O ATOM 0 H GLY A 84 16.120 -9.286 -1.141 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.218 -9.801 -0.536 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.571 -8.091 -0.390 1.00 0.34 H new ATOM 1207 N SER A 85 18.409 -7.975 2.082 1.00 0.32 N ATOM 1208 CA SER A 85 18.572 -7.988 3.522 1.00 0.36 C ATOM 1209 C SER A 85 17.340 -7.451 4.244 1.00 0.31 C ATOM 1210 O SER A 85 17.202 -7.620 5.455 1.00 0.35 O ATOM 1211 CB SER A 85 19.796 -7.173 3.885 1.00 0.43 C ATOM 1212 OG SER A 85 19.767 -5.900 3.255 1.00 0.42 O ATOM 0 H SER A 85 18.712 -7.110 1.635 1.00 0.32 H new ATOM 0 HA SER A 85 18.701 -9.021 3.845 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.845 -7.046 4.966 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.696 -7.710 3.586 1.00 0.43 H new ATOM 0 HG SER A 85 20.567 -5.392 3.506 1.00 0.42 H new ATOM 1218 N VAL A 86 16.443 -6.811 3.507 1.00 0.24 N ATOM 1219 CA VAL A 86 15.240 -6.256 4.111 1.00 0.20 C ATOM 1220 C VAL A 86 14.036 -7.160 3.869 1.00 0.17 C ATOM 1221 O VAL A 86 13.859 -7.696 2.774 1.00 0.18 O ATOM 1222 CB VAL A 86 14.920 -4.832 3.585 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.515 -4.851 2.118 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.833 -4.190 4.431 1.00 0.19 C ATOM 0 H VAL A 86 16.523 -6.664 2.501 1.00 0.24 H new ATOM 0 HA VAL A 86 15.439 -6.190 5.181 1.00 0.20 H new ATOM 0 HB VAL A 86 15.829 -4.236 3.665 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.299 -3.835 1.787 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.329 -5.262 1.521 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.626 -5.470 1.994 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.618 -3.191 4.051 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.929 -4.798 4.385 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.171 -4.120 5.465 1.00 0.19 H new ATOM 1234 N THR A 87 13.237 -7.361 4.906 1.00 0.17 N ATOM 1235 CA THR A 87 11.947 -8.014 4.765 1.00 0.17 C ATOM 1236 C THR A 87 11.003 -7.534 5.866 1.00 0.15 C ATOM 1237 O THR A 87 11.244 -7.761 7.050 1.00 0.18 O ATOM 1238 CB THR A 87 12.069 -9.548 4.816 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.065 -9.996 3.887 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.741 -10.185 4.466 1.00 0.23 C ATOM 0 H THR A 87 13.463 -7.079 5.860 1.00 0.17 H new ATOM 0 HA THR A 87 11.546 -7.747 3.787 1.00 0.17 H new ATOM 0 HB THR A 87 12.359 -9.839 5.826 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.217 -9.303 3.211 1.00 0.25 H new ATOM 0 HG21 THR A 87 10.837 -11.270 4.505 1.00 0.23 H new ATOM 0 HG22 THR A 87 9.983 -9.862 5.180 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.446 -9.882 3.461 1.00 0.23 H new ATOM 1248 N ILE A 88 9.920 -6.891 5.454 1.00 0.12 N ATOM 1249 CA ILE A 88 8.987 -6.234 6.368 1.00 0.11 C ATOM 1250 C ILE A 88 7.588 -6.264 5.785 1.00 0.10 C ATOM 1251 O ILE A 88 7.421 -6.600 4.624 1.00 0.11 O ATOM 1252 CB ILE A 88 9.346 -4.765 6.605 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.171 -3.987 5.312 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.765 -4.627 7.131 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.466 -2.520 5.452 1.00 0.09 C ATOM 0 H ILE A 88 9.659 -6.808 4.471 1.00 0.12 H new ATOM 0 HA ILE A 88 9.042 -6.776 7.312 1.00 0.11 H new ATOM 0 HB ILE A 88 8.676 -4.356 7.362 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.826 -4.410 4.551 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.148 -4.112 4.957 1.00 0.09 H new ATOM 0 HG21 ILE A 88 10.993 -3.573 7.290 1.00 0.14 H new ATOM 0 HG22 ILE A 88 10.857 -5.165 8.075 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.464 -5.044 6.406 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.321 -2.026 4.491 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.794 -2.082 6.190 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.498 -2.386 5.777 1.00 0.09 H new ATOM 1267 N GLN A 89 6.588 -5.946 6.586 1.00 0.11 N ATOM 1268 CA GLN A 89 5.243 -5.765 6.059 1.00 0.14 C ATOM 1269 C GLN A 89 4.444 -4.796 6.929 1.00 0.14 C ATOM 1270 O GLN A 89 4.717 -4.639 8.120 1.00 0.20 O ATOM 1271 CB GLN A 89 4.498 -7.097 5.921 1.00 0.22 C ATOM 1272 CG GLN A 89 4.340 -7.866 7.219 1.00 0.68 C ATOM 1273 CD GLN A 89 3.434 -9.071 7.067 1.00 1.04 C ATOM 1274 OE1 GLN A 89 2.498 -9.067 6.264 1.00 1.53 O ATOM 1275 NE2 GLN A 89 3.708 -10.114 7.828 1.00 1.88 N ATOM 0 H GLN A 89 6.676 -5.808 7.593 1.00 0.11 H new ATOM 0 HA GLN A 89 5.344 -5.339 5.061 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.509 -6.904 5.505 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.029 -7.724 5.204 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.320 -8.193 7.567 1.00 0.68 H new ATOM 0 HG3 GLN A 89 3.935 -7.204 7.984 1.00 0.68 H new ATOM 0 HE21 GLN A 89 4.491 -10.078 8.480 1.00 1.88 H new ATOM 0 HE22 GLN A 89 3.136 -10.956 7.764 1.00 1.88 H new ATOM 1284 N CYS A 90 3.473 -4.143 6.320 1.00 0.20 N ATOM 1285 CA CYS A 90 2.570 -3.229 7.018 1.00 0.21 C ATOM 1286 C CYS A 90 1.148 -3.492 6.562 1.00 0.23 C ATOM 1287 O CYS A 90 0.949 -4.132 5.538 1.00 0.31 O ATOM 1288 CB CYS A 90 2.958 -1.783 6.723 1.00 0.22 C ATOM 1289 SG CYS A 90 3.717 -1.570 5.085 1.00 0.97 S ATOM 0 H CYS A 90 3.282 -4.228 5.322 1.00 0.20 H new ATOM 0 HA CYS A 90 2.643 -3.394 8.093 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.071 -1.154 6.791 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.654 -1.436 7.487 1.00 0.22 H new ATOM 1294 N ASN A 91 0.166 -2.999 7.302 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.229 -3.266 6.965 1.00 0.18 C ATOM 1296 C ASN A 91 -2.085 -2.010 7.107 1.00 0.16 C ATOM 1297 O ASN A 91 -1.952 -1.260 8.076 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.793 -4.407 7.829 1.00 0.20 C ATOM 1299 CG ASN A 91 -2.020 -4.022 9.281 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -1.117 -4.119 10.112 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -3.239 -3.612 9.603 1.00 1.82 N ATOM 0 H ASN A 91 0.303 -2.419 8.130 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.262 -3.577 5.921 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.737 -4.742 7.400 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.107 -5.253 7.790 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -3.455 -3.364 10.568 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -3.961 -3.545 8.885 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.946 -1.776 6.116 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.809 -0.596 6.097 1.00 0.13 C ATOM 1310 C LEU A 92 -5.001 -0.770 7.026 1.00 0.14 C ATOM 1311 O LEU A 92 -5.620 -1.835 7.068 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.311 -0.273 4.675 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.591 0.573 4.600 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.363 1.999 5.095 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.119 0.609 3.186 1.00 0.12 C ATOM 0 H LEU A 92 -3.064 -2.392 5.312 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.201 0.238 6.447 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.519 0.250 4.139 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.486 -1.211 4.149 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.325 0.101 5.253 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.294 2.562 5.024 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -5.031 1.975 6.133 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.601 2.480 4.481 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.026 1.213 3.152 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.367 1.045 2.528 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.345 -0.405 2.856 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.299 0.279 7.771 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.523 0.363 8.549 1.00 0.19 C ATOM 1329 C ASP A 93 -7.635 0.894 7.662 1.00 0.17 C ATOM 1330 O ASP A 93 -7.614 2.061 7.284 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.341 1.299 9.747 1.00 0.26 C ATOM 1332 CG ASP A 93 -5.369 0.770 10.775 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -5.799 0.011 11.671 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -4.172 1.118 10.704 1.00 2.13 O ATOM 0 H ASP A 93 -4.698 1.099 7.854 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.775 -0.630 8.920 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.992 2.269 9.392 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.308 1.463 10.222 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.616 0.055 7.303 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.720 0.468 6.430 1.00 0.19 C ATOM 1341 C PRO A 94 -10.506 1.636 7.013 1.00 0.23 C ATOM 1342 O PRO A 94 -11.243 2.329 6.313 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.606 -0.777 6.335 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.174 -1.662 7.452 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.727 -1.358 7.698 1.00 0.21 C ATOM 0 HA PRO A 94 -9.359 0.815 5.462 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.660 -0.516 6.427 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.483 -1.273 5.372 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.768 -1.475 8.347 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.311 -2.711 7.191 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.455 -1.508 8.743 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.073 -1.996 7.103 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.324 1.849 8.302 1.00 0.26 N ATOM 1354 CA GLU A 95 -10.922 2.952 9.006 1.00 0.34 C ATOM 1355 C GLU A 95 -10.196 4.262 8.724 1.00 0.32 C ATOM 1356 O GLU A 95 -10.445 5.265 9.383 1.00 0.46 O ATOM 1357 CB GLU A 95 -10.936 2.642 10.482 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.243 2.082 10.959 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.169 1.518 12.357 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -11.808 2.275 13.284 1.00 1.21 O ATOM 1361 OE2 GLU A 95 -12.446 0.314 12.535 1.00 1.42 O ATOM 0 H GLU A 95 -9.748 1.249 8.892 1.00 0.26 H new ATOM 0 HA GLU A 95 -11.945 3.083 8.653 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.141 1.930 10.704 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -10.714 3.552 11.039 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.000 2.866 10.929 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -12.568 1.299 10.274 1.00 0.69 H new ATOM 1368 N THR A 96 -9.238 4.232 7.805 1.00 0.23 N ATOM 1369 CA THR A 96 -8.569 5.443 7.374 1.00 0.24 C ATOM 1370 C THR A 96 -8.949 5.828 5.942 1.00 0.23 C ATOM 1371 O THR A 96 -8.672 6.942 5.494 1.00 0.30 O ATOM 1372 CB THR A 96 -7.053 5.287 7.471 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.582 4.342 6.509 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.651 4.837 8.865 1.00 0.31 C ATOM 0 H THR A 96 -8.911 3.381 7.347 1.00 0.23 H new ATOM 0 HA THR A 96 -8.897 6.240 8.041 1.00 0.24 H new ATOM 0 HB THR A 96 -6.601 6.258 7.266 1.00 0.25 H new ATOM 0 HG1 THR A 96 -6.718 3.433 6.850 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.567 4.731 8.915 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.977 5.578 9.595 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.120 3.878 9.087 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.589 4.891 5.247 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.036 5.079 3.852 1.00 0.23 C ATOM 1384 C VAL A 97 -10.781 6.394 3.636 1.00 0.29 C ATOM 1385 O VAL A 97 -10.754 6.952 2.545 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.954 3.920 3.395 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.599 4.219 2.041 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.171 2.618 3.327 1.00 0.51 C ATOM 0 H VAL A 97 -9.817 3.973 5.629 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.123 5.096 3.257 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.751 3.817 4.132 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.237 3.385 1.750 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.199 5.126 2.116 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.821 4.360 1.291 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.831 1.813 3.004 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.352 2.723 2.616 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.768 2.384 4.312 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.419 6.905 4.674 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.291 8.053 4.514 1.00 0.38 C ATOM 1400 C LYS A 98 -11.480 9.317 4.322 1.00 0.40 C ATOM 1401 O LYS A 98 -11.218 10.058 5.270 1.00 0.47 O ATOM 1402 CB LYS A 98 -13.271 8.219 5.680 1.00 0.55 C ATOM 1403 CG LYS A 98 -14.068 6.962 6.037 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.232 5.923 6.773 1.00 0.53 C ATOM 1405 CE LYS A 98 -12.413 6.564 7.861 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.253 7.193 8.918 1.00 2.40 N ATOM 0 H LYS A 98 -11.351 6.547 5.627 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.888 7.871 3.620 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -12.714 8.541 6.560 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.971 9.018 5.436 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.920 7.241 6.657 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.468 6.520 5.125 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -13.885 5.164 7.203 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -12.574 5.415 6.068 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -11.768 5.812 8.315 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.762 7.320 7.422 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -12.641 7.559 9.675 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.801 7.975 8.506 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -13.904 6.484 9.312 1.00 2.40 H new