USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 806 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 29 LYS NZ :NH3+ -140:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 32 GLN : amide:sc= 1.02 K(o=2.2,f=-6.9!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.601 K(o=0.6,f=-1.4) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -106:sc= 1.23 (180deg=-0.854) USER MOD Single : A 20 SER OG : rot -138:sc= 0.322 USER MOD Single : A 22 THR OG1 : rot 45:sc= 0.994 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.205) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.19) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.11) USER MOD Single : A 46 LYS NZ :NH3+ -121:sc= 1.28 (180deg=0.149) USER MOD Single : A 49 HIS : no HD1:sc= -0.0917 X(o=-0.092,f=-0.09) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0558 (180deg=-0.355) USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= -0.557 (180deg=-0.728) USER MOD Single : A 56 SER OG : rot 93:sc= 0.215 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 60:sc= 0.842 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -163:sc= 0 (180deg=-0.112) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -170:sc= 0 USER MOD Single : A 105 THR OG1 : rot -88:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 9.639 -3.984 8.625 1.00 0.82 N ATOM 49 CA THR A 4 10.926 -4.674 8.539 1.00 0.61 C ATOM 50 C THR A 4 10.756 -6.076 9.115 1.00 0.62 C ATOM 51 O THR A 4 11.005 -7.051 8.411 1.00 0.87 O ATOM 52 CB THR A 4 11.992 -3.854 9.292 1.00 0.65 C ATOM 53 OG1 THR A 4 12.371 -2.793 8.443 1.00 0.83 O ATOM 54 CG2 THR A 4 13.258 -4.619 9.675 1.00 0.69 C ATOM 0 HA THR A 4 11.261 -4.768 7.506 1.00 0.61 H new ATOM 0 HB THR A 4 11.538 -3.540 10.232 1.00 0.65 H new ATOM 0 HG1 THR A 4 13.050 -2.244 8.888 1.00 0.83 H new ATOM 0 HG21 THR A 4 13.942 -3.952 10.200 1.00 0.69 H new ATOM 0 HG22 THR A 4 12.996 -5.454 10.325 1.00 0.69 H new ATOM 0 HG23 THR A 4 13.741 -4.998 8.774 1.00 0.69 H new ATOM 62 N ASP A 5 10.289 -6.163 10.365 1.00 0.60 N ATOM 63 CA ASP A 5 10.161 -7.394 11.148 1.00 0.64 C ATOM 64 C ASP A 5 8.889 -8.182 10.803 1.00 0.70 C ATOM 65 O ASP A 5 8.911 -9.408 10.756 1.00 0.89 O ATOM 66 CB ASP A 5 10.141 -7.016 12.640 1.00 0.72 C ATOM 67 CG ASP A 5 11.211 -5.979 12.996 1.00 2.50 C ATOM 68 OD1 ASP A 5 10.952 -4.787 12.698 1.00 4.27 O ATOM 69 OD2 ASP A 5 12.268 -6.389 13.518 1.00 2.95 O ATOM 0 H ASP A 5 9.976 -5.340 10.880 1.00 0.60 H new ATOM 0 HA ASP A 5 11.008 -8.038 10.912 1.00 0.64 H new ATOM 0 HB2 ASP A 5 9.158 -6.623 12.899 1.00 0.72 H new ATOM 0 HB3 ASP A 5 10.294 -7.912 13.241 1.00 0.72 H new ATOM 74 N LEU A 6 7.782 -7.465 10.563 1.00 0.71 N ATOM 75 CA LEU A 6 6.470 -8.017 10.213 1.00 0.84 C ATOM 76 C LEU A 6 6.533 -8.745 8.856 1.00 0.72 C ATOM 77 O LEU A 6 6.289 -9.949 8.771 1.00 0.72 O ATOM 78 CB LEU A 6 5.420 -6.878 10.216 1.00 1.01 C ATOM 79 CG LEU A 6 4.936 -6.338 11.583 1.00 1.25 C ATOM 80 CD1 LEU A 6 4.350 -7.394 12.524 1.00 1.76 C ATOM 81 CD2 LEU A 6 5.991 -5.550 12.359 1.00 2.66 C ATOM 0 H LEU A 6 7.778 -6.446 10.610 1.00 0.71 H new ATOM 0 HA LEU A 6 6.171 -8.758 10.954 1.00 0.84 H new ATOM 0 HB2 LEU A 6 5.834 -6.041 9.654 1.00 1.01 H new ATOM 0 HB3 LEU A 6 4.546 -7.229 9.667 1.00 1.01 H new ATOM 0 HG LEU A 6 4.137 -5.664 11.275 1.00 1.25 H new ATOM 0 HD11 LEU A 6 4.039 -6.920 13.455 1.00 1.76 H new ATOM 0 HD12 LEU A 6 3.488 -7.864 12.051 1.00 1.76 H new ATOM 0 HD13 LEU A 6 5.105 -8.151 12.737 1.00 1.76 H new ATOM 0 HD21 LEU A 6 5.568 -5.209 13.304 1.00 2.66 H new ATOM 0 HD22 LEU A 6 6.851 -6.190 12.556 1.00 2.66 H new ATOM 0 HD23 LEU A 6 6.307 -4.689 11.771 1.00 2.66 H new ATOM 93 N LEU A 7 6.904 -8.014 7.795 1.00 0.70 N ATOM 94 CA LEU A 7 6.963 -8.545 6.431 1.00 0.63 C ATOM 95 C LEU A 7 8.291 -9.195 6.069 1.00 0.69 C ATOM 96 O LEU A 7 8.270 -10.363 5.694 1.00 1.43 O ATOM 97 CB LEU A 7 6.597 -7.457 5.410 1.00 0.67 C ATOM 98 CG LEU A 7 5.087 -7.208 5.280 1.00 0.80 C ATOM 99 CD1 LEU A 7 4.865 -6.004 4.361 1.00 2.08 C ATOM 100 CD2 LEU A 7 4.357 -8.407 4.669 1.00 1.86 C ATOM 0 H LEU A 7 7.173 -7.032 7.863 1.00 0.70 H new ATOM 0 HA LEU A 7 6.224 -9.346 6.395 1.00 0.63 H new ATOM 0 HB2 LEU A 7 7.086 -6.525 5.696 1.00 0.67 H new ATOM 0 HB3 LEU A 7 6.994 -7.739 4.435 1.00 0.67 H new ATOM 0 HG LEU A 7 4.692 -7.034 6.281 1.00 0.80 H new ATOM 0 HD11 LEU A 7 3.796 -5.816 4.260 1.00 2.08 H new ATOM 0 HD12 LEU A 7 5.349 -5.126 4.788 1.00 2.08 H new ATOM 0 HD13 LEU A 7 5.291 -6.212 3.380 1.00 2.08 H new ATOM 0 HD21 LEU A 7 3.292 -8.186 4.596 1.00 1.86 H new ATOM 0 HD22 LEU A 7 4.755 -8.607 3.674 1.00 1.86 H new ATOM 0 HD23 LEU A 7 4.503 -9.283 5.301 1.00 1.86 H new ATOM 112 N ASN A 8 9.387 -8.434 6.148 1.00 0.64 N ATOM 113 CA ASN A 8 10.768 -8.702 5.724 1.00 0.61 C ATOM 114 C ASN A 8 11.337 -7.465 5.009 1.00 0.57 C ATOM 115 O ASN A 8 10.899 -7.147 3.901 1.00 0.53 O ATOM 116 CB ASN A 8 10.934 -9.900 4.764 1.00 0.64 C ATOM 117 CG ASN A 8 10.956 -11.285 5.390 1.00 0.82 C ATOM 118 OD1 ASN A 8 11.319 -11.489 6.538 1.00 1.62 O ATOM 119 ND2 ASN A 8 10.604 -12.289 4.613 1.00 1.25 N ATOM 0 H ASN A 8 9.320 -7.503 6.560 1.00 0.64 H new ATOM 0 HA ASN A 8 11.301 -8.945 6.643 1.00 0.61 H new ATOM 0 HB2 ASN A 8 10.121 -9.869 4.039 1.00 0.64 H new ATOM 0 HB3 ASN A 8 11.862 -9.764 4.209 1.00 0.64 H new ATOM 0 HD21 ASN A 8 10.634 -13.244 4.969 1.00 1.25 H new ATOM 0 HD22 ASN A 8 10.302 -12.111 3.655 1.00 1.25 H new ATOM 126 N ALA A 9 12.364 -6.811 5.570 1.00 0.58 N ATOM 127 CA ALA A 9 13.114 -5.757 4.870 1.00 0.48 C ATOM 128 C ALA A 9 13.599 -6.191 3.466 1.00 0.36 C ATOM 129 O ALA A 9 13.501 -5.424 2.507 1.00 0.28 O ATOM 130 CB ALA A 9 14.284 -5.304 5.747 1.00 0.58 C ATOM 0 H ALA A 9 12.697 -6.996 6.516 1.00 0.58 H new ATOM 0 HA ALA A 9 12.436 -4.920 4.701 1.00 0.48 H new ATOM 0 HB1 ALA A 9 14.843 -4.523 5.232 1.00 0.58 H new ATOM 0 HB2 ALA A 9 13.902 -4.915 6.691 1.00 0.58 H new ATOM 0 HB3 ALA A 9 14.941 -6.151 5.943 1.00 0.58 H new ATOM 136 N GLU A 10 14.063 -7.442 3.335 1.00 0.47 N ATOM 137 CA GLU A 10 14.490 -8.057 2.071 1.00 0.54 C ATOM 138 C GLU A 10 13.382 -8.126 1.012 1.00 0.52 C ATOM 139 O GLU A 10 13.676 -8.051 -0.179 1.00 0.82 O ATOM 140 CB GLU A 10 14.979 -9.489 2.332 1.00 0.75 C ATOM 141 CG GLU A 10 16.271 -9.541 3.153 1.00 1.52 C ATOM 142 CD GLU A 10 16.712 -10.994 3.350 1.00 1.90 C ATOM 143 OE1 GLU A 10 17.248 -11.567 2.374 1.00 2.20 O ATOM 144 OE2 GLU A 10 16.487 -11.514 4.464 1.00 3.23 O ATOM 0 H GLU A 10 14.154 -8.073 4.131 1.00 0.47 H new ATOM 0 HA GLU A 10 15.283 -7.418 1.682 1.00 0.54 H new ATOM 0 HB2 GLU A 10 14.200 -10.043 2.856 1.00 0.75 H new ATOM 0 HB3 GLU A 10 15.141 -9.991 1.378 1.00 0.75 H new ATOM 0 HG2 GLU A 10 17.056 -8.980 2.646 1.00 1.52 H new ATOM 0 HG3 GLU A 10 16.115 -9.066 4.121 1.00 1.52 H new ATOM 151 N ASP A 11 12.120 -8.262 1.431 1.00 0.51 N ATOM 152 CA ASP A 11 10.954 -8.307 0.548 1.00 0.42 C ATOM 153 C ASP A 11 10.435 -6.891 0.272 1.00 0.31 C ATOM 154 O ASP A 11 10.160 -6.551 -0.883 1.00 0.29 O ATOM 155 CB ASP A 11 9.909 -9.276 1.123 1.00 0.40 C ATOM 156 CG ASP A 11 10.414 -10.722 1.250 1.00 0.73 C ATOM 157 OD1 ASP A 11 11.281 -11.106 0.432 1.00 1.83 O ATOM 158 OD2 ASP A 11 9.931 -11.453 2.145 1.00 1.84 O ATOM 0 H ASP A 11 11.877 -8.346 2.418 1.00 0.51 H new ATOM 0 HA ASP A 11 11.226 -8.704 -0.430 1.00 0.42 H new ATOM 0 HB2 ASP A 11 9.599 -8.921 2.106 1.00 0.40 H new ATOM 0 HB3 ASP A 11 9.025 -9.264 0.486 1.00 0.40 H new ATOM 163 N ILE A 12 10.434 -6.025 1.296 1.00 0.29 N ATOM 164 CA ILE A 12 10.226 -4.578 1.170 1.00 0.25 C ATOM 165 C ILE A 12 11.119 -3.959 0.088 1.00 0.21 C ATOM 166 O ILE A 12 10.631 -3.145 -0.698 1.00 0.26 O ATOM 167 CB ILE A 12 10.357 -3.894 2.557 1.00 0.33 C ATOM 168 CG1 ILE A 12 8.977 -3.665 3.210 1.00 0.45 C ATOM 169 CG2 ILE A 12 11.079 -2.545 2.542 1.00 0.41 C ATOM 170 CD1 ILE A 12 8.527 -4.886 4.001 1.00 0.58 C ATOM 0 H ILE A 12 10.582 -6.322 2.261 1.00 0.29 H new ATOM 0 HA ILE A 12 9.208 -4.399 0.825 1.00 0.25 H new ATOM 0 HB ILE A 12 10.961 -4.597 3.130 1.00 0.33 H new ATOM 0 HG12 ILE A 12 9.024 -2.799 3.870 1.00 0.45 H new ATOM 0 HG13 ILE A 12 8.241 -3.438 2.439 1.00 0.45 H new ATOM 0 HG21 ILE A 12 11.122 -2.144 3.555 1.00 0.41 H new ATOM 0 HG22 ILE A 12 12.092 -2.678 2.161 1.00 0.41 H new ATOM 0 HG23 ILE A 12 10.538 -1.850 1.899 1.00 0.41 H new ATOM 0 HD11 ILE A 12 7.552 -4.691 4.448 1.00 0.58 H new ATOM 0 HD12 ILE A 12 8.456 -5.745 3.334 1.00 0.58 H new ATOM 0 HD13 ILE A 12 9.251 -5.097 4.788 1.00 0.58 H new ATOM 182 N LYS A 13 12.394 -4.369 0.009 1.00 0.24 N ATOM 183 CA LYS A 13 13.371 -3.854 -0.957 1.00 0.33 C ATOM 184 C LYS A 13 12.866 -3.911 -2.403 1.00 0.33 C ATOM 185 O LYS A 13 12.782 -2.869 -3.054 1.00 0.39 O ATOM 186 CB LYS A 13 14.726 -4.574 -0.780 1.00 0.48 C ATOM 187 CG LYS A 13 15.832 -3.612 -0.325 1.00 1.84 C ATOM 188 CD LYS A 13 16.257 -2.622 -1.419 1.00 1.94 C ATOM 189 CE LYS A 13 17.379 -1.725 -0.885 1.00 3.70 C ATOM 190 NZ LYS A 13 17.803 -0.723 -1.891 1.00 4.27 N ATOM 0 H LYS A 13 12.780 -5.082 0.628 1.00 0.24 H new ATOM 0 HA LYS A 13 13.517 -2.795 -0.746 1.00 0.33 H new ATOM 0 HB2 LYS A 13 14.618 -5.375 -0.049 1.00 0.48 H new ATOM 0 HB3 LYS A 13 15.015 -5.040 -1.722 1.00 0.48 H new ATOM 0 HG2 LYS A 13 15.485 -3.055 0.546 1.00 1.84 H new ATOM 0 HG3 LYS A 13 16.701 -4.190 -0.009 1.00 1.84 H new ATOM 0 HD2 LYS A 13 16.598 -3.163 -2.302 1.00 1.94 H new ATOM 0 HD3 LYS A 13 15.406 -2.015 -1.726 1.00 1.94 H new ATOM 0 HE2 LYS A 13 17.040 -1.215 0.017 1.00 3.70 H new ATOM 0 HE3 LYS A 13 18.233 -2.340 -0.601 1.00 3.70 H new ATOM 0 HZ1 LYS A 13 18.563 -0.134 -1.495 1.00 4.27 H new ATOM 0 HZ2 LYS A 13 18.150 -1.210 -2.742 1.00 4.27 H new ATOM 0 HZ3 LYS A 13 16.994 -0.120 -2.143 1.00 4.27 H new ATOM 204 N LYS A 14 12.525 -5.107 -2.907 1.00 0.40 N ATOM 205 CA LYS A 14 12.000 -5.254 -4.275 1.00 0.55 C ATOM 206 C LYS A 14 10.564 -4.747 -4.432 1.00 0.52 C ATOM 207 O LYS A 14 10.200 -4.294 -5.513 1.00 0.57 O ATOM 208 CB LYS A 14 12.166 -6.682 -4.822 1.00 0.90 C ATOM 209 CG LYS A 14 11.417 -7.821 -4.104 1.00 1.71 C ATOM 210 CD LYS A 14 12.307 -8.612 -3.145 1.00 2.15 C ATOM 211 CE LYS A 14 11.643 -9.946 -2.787 1.00 3.87 C ATOM 212 NZ LYS A 14 12.480 -10.749 -1.868 1.00 4.76 N ATOM 0 H LYS A 14 12.603 -5.983 -2.391 1.00 0.40 H new ATOM 0 HA LYS A 14 12.620 -4.603 -4.891 1.00 0.55 H new ATOM 0 HB2 LYS A 14 11.850 -6.679 -5.865 1.00 0.90 H new ATOM 0 HB3 LYS A 14 13.229 -6.922 -4.812 1.00 0.90 H new ATOM 0 HG2 LYS A 14 10.577 -7.403 -3.549 1.00 1.71 H new ATOM 0 HG3 LYS A 14 11.001 -8.500 -4.848 1.00 1.71 H new ATOM 0 HD2 LYS A 14 13.279 -8.793 -3.604 1.00 2.15 H new ATOM 0 HD3 LYS A 14 12.485 -8.031 -2.240 1.00 2.15 H new ATOM 0 HE2 LYS A 14 10.674 -9.757 -2.324 1.00 3.87 H new ATOM 0 HE3 LYS A 14 11.456 -10.514 -3.698 1.00 3.87 H new ATOM 0 HZ1 LYS A 14 12.909 -11.539 -2.390 1.00 4.76 H new ATOM 0 HZ2 LYS A 14 13.230 -10.150 -1.469 1.00 4.76 H new ATOM 0 HZ3 LYS A 14 11.889 -11.123 -1.098 1.00 4.76 H new ATOM 226 N ALA A 15 9.772 -4.766 -3.359 1.00 0.50 N ATOM 227 CA ALA A 15 8.410 -4.248 -3.365 1.00 0.62 C ATOM 228 C ALA A 15 8.359 -2.732 -3.581 1.00 0.49 C ATOM 229 O ALA A 15 7.699 -2.265 -4.508 1.00 0.49 O ATOM 230 CB ALA A 15 7.747 -4.638 -2.056 1.00 0.78 C ATOM 0 H ALA A 15 10.063 -5.144 -2.457 1.00 0.50 H new ATOM 0 HA ALA A 15 7.871 -4.685 -4.206 1.00 0.62 H new ATOM 0 HB1 ALA A 15 6.725 -4.260 -2.039 1.00 0.78 H new ATOM 0 HB2 ALA A 15 7.734 -5.724 -1.964 1.00 0.78 H new ATOM 0 HB3 ALA A 15 8.306 -4.211 -1.224 1.00 0.78 H new ATOM 236 N VAL A 16 9.076 -1.950 -2.762 1.00 0.42 N ATOM 237 CA VAL A 16 9.152 -0.492 -2.934 1.00 0.42 C ATOM 238 C VAL A 16 9.699 -0.151 -4.323 1.00 0.31 C ATOM 239 O VAL A 16 9.159 0.724 -4.997 1.00 0.40 O ATOM 240 CB VAL A 16 9.984 0.165 -1.814 1.00 0.47 C ATOM 241 CG1 VAL A 16 10.229 1.665 -2.040 1.00 0.58 C ATOM 242 CG2 VAL A 16 9.250 0.018 -0.475 1.00 0.87 C ATOM 0 H VAL A 16 9.614 -2.304 -1.971 1.00 0.42 H new ATOM 0 HA VAL A 16 8.145 -0.083 -2.858 1.00 0.42 H new ATOM 0 HB VAL A 16 10.947 -0.345 -1.813 1.00 0.47 H new ATOM 0 HG11 VAL A 16 10.820 2.065 -1.216 1.00 0.58 H new ATOM 0 HG12 VAL A 16 10.768 1.809 -2.977 1.00 0.58 H new ATOM 0 HG13 VAL A 16 9.273 2.187 -2.088 1.00 0.58 H new ATOM 0 HG21 VAL A 16 9.839 0.483 0.316 1.00 0.87 H new ATOM 0 HG22 VAL A 16 8.277 0.506 -0.538 1.00 0.87 H new ATOM 0 HG23 VAL A 16 9.111 -1.040 -0.250 1.00 0.87 H new ATOM 252 N GLY A 17 10.679 -0.928 -4.801 1.00 0.21 N ATOM 253 CA GLY A 17 11.246 -0.815 -6.145 1.00 0.28 C ATOM 254 C GLY A 17 10.250 -1.073 -7.286 1.00 0.35 C ATOM 255 O GLY A 17 10.573 -0.777 -8.433 1.00 0.56 O ATOM 0 H GLY A 17 11.108 -1.670 -4.248 1.00 0.21 H new ATOM 0 HA2 GLY A 17 11.664 0.184 -6.265 1.00 0.28 H new ATOM 0 HA3 GLY A 17 12.073 -1.520 -6.236 1.00 0.28 H new ATOM 259 N ALA A 18 9.051 -1.594 -6.992 1.00 0.35 N ATOM 260 CA ALA A 18 7.966 -1.791 -7.947 1.00 0.45 C ATOM 261 C ALA A 18 7.004 -0.586 -8.008 1.00 0.38 C ATOM 262 O ALA A 18 6.648 -0.155 -9.102 1.00 0.65 O ATOM 263 CB ALA A 18 7.238 -3.090 -7.575 1.00 0.61 C ATOM 0 H ALA A 18 8.807 -1.898 -6.049 1.00 0.35 H new ATOM 0 HA ALA A 18 8.381 -1.873 -8.952 1.00 0.45 H new ATOM 0 HB1 ALA A 18 6.420 -3.262 -8.275 1.00 0.61 H new ATOM 0 HB2 ALA A 18 7.937 -3.925 -7.622 1.00 0.61 H new ATOM 0 HB3 ALA A 18 6.839 -3.007 -6.564 1.00 0.61 H new ATOM 269 N PHE A 19 6.586 -0.034 -6.857 1.00 0.34 N ATOM 270 CA PHE A 19 5.711 1.151 -6.810 1.00 0.48 C ATOM 271 C PHE A 19 6.457 2.495 -6.958 1.00 0.62 C ATOM 272 O PHE A 19 5.808 3.459 -7.358 1.00 0.75 O ATOM 273 CB PHE A 19 4.953 1.217 -5.476 1.00 0.61 C ATOM 274 CG PHE A 19 3.797 0.264 -5.210 1.00 0.66 C ATOM 275 CD1 PHE A 19 2.903 -0.107 -6.233 1.00 1.68 C ATOM 276 CD2 PHE A 19 3.498 -0.091 -3.878 1.00 1.79 C ATOM 277 CE1 PHE A 19 1.730 -0.814 -5.918 1.00 1.77 C ATOM 278 CE2 PHE A 19 2.309 -0.768 -3.561 1.00 1.71 C ATOM 279 CZ PHE A 19 1.427 -1.127 -4.586 1.00 0.70 C ATOM 0 H PHE A 19 6.843 -0.393 -5.938 1.00 0.34 H new ATOM 0 HA PHE A 19 5.041 1.026 -7.661 1.00 0.48 H new ATOM 0 HB2 PHE A 19 5.684 1.070 -4.680 1.00 0.61 H new ATOM 0 HB3 PHE A 19 4.568 2.231 -5.372 1.00 0.61 H new ATOM 0 HD1 PHE A 19 3.119 0.152 -7.259 1.00 1.68 H new ATOM 0 HD2 PHE A 19 4.193 0.161 -3.091 1.00 1.79 H new ATOM 0 HE1 PHE A 19 1.058 -1.118 -6.707 1.00 1.77 H new ATOM 0 HE2 PHE A 19 2.077 -1.010 -2.534 1.00 1.71 H new ATOM 0 HZ PHE A 19 0.510 -1.647 -4.350 1.00 0.70 H new ATOM 289 N SER A 20 7.759 2.614 -6.629 1.00 0.85 N ATOM 290 CA SER A 20 8.530 3.878 -6.715 1.00 1.18 C ATOM 291 C SER A 20 8.749 4.338 -8.171 1.00 1.07 C ATOM 292 O SER A 20 9.861 4.314 -8.698 1.00 1.24 O ATOM 293 CB SER A 20 9.870 3.792 -5.954 1.00 1.64 C ATOM 294 OG SER A 20 9.674 3.866 -4.551 1.00 2.92 O ATOM 0 H SER A 20 8.314 1.828 -6.292 1.00 0.85 H new ATOM 0 HA SER A 20 7.920 4.637 -6.226 1.00 1.18 H new ATOM 0 HB2 SER A 20 10.373 2.858 -6.204 1.00 1.64 H new ATOM 0 HB3 SER A 20 10.525 4.602 -6.275 1.00 1.64 H new ATOM 0 HG SER A 20 10.360 4.442 -4.155 1.00 2.92 H new ATOM 300 N ALA A 21 7.662 4.765 -8.816 1.00 0.86 N ATOM 301 CA ALA A 21 7.528 5.189 -10.205 1.00 0.82 C ATOM 302 C ALA A 21 6.359 6.201 -10.328 1.00 0.79 C ATOM 303 O ALA A 21 6.066 6.924 -9.376 1.00 1.41 O ATOM 304 CB ALA A 21 7.354 3.918 -11.054 1.00 0.82 C ATOM 0 H ALA A 21 6.768 4.827 -8.328 1.00 0.86 H new ATOM 0 HA ALA A 21 8.409 5.717 -10.570 1.00 0.82 H new ATOM 0 HB1 ALA A 21 7.250 4.193 -12.104 1.00 0.82 H new ATOM 0 HB2 ALA A 21 8.227 3.276 -10.932 1.00 0.82 H new ATOM 0 HB3 ALA A 21 6.462 3.383 -10.729 1.00 0.82 H new ATOM 310 N THR A 22 5.730 6.310 -11.506 1.00 0.81 N ATOM 311 CA THR A 22 4.662 7.285 -11.792 1.00 0.90 C ATOM 312 C THR A 22 3.499 6.631 -12.544 1.00 1.34 C ATOM 313 O THR A 22 3.627 6.378 -13.741 1.00 3.03 O ATOM 314 CB THR A 22 5.198 8.478 -12.609 1.00 0.65 C ATOM 315 OG1 THR A 22 5.716 8.024 -13.839 1.00 0.78 O ATOM 316 CG2 THR A 22 6.276 9.284 -11.884 1.00 1.06 C ATOM 0 H THR A 22 5.951 5.713 -12.303 1.00 0.81 H new ATOM 0 HA THR A 22 4.299 7.651 -10.832 1.00 0.90 H new ATOM 0 HB THR A 22 4.349 9.144 -12.763 1.00 0.65 H new ATOM 0 HG1 THR A 22 5.098 7.374 -14.234 1.00 0.78 H new ATOM 0 HG21 THR A 22 6.605 10.106 -12.520 1.00 1.06 H new ATOM 0 HG22 THR A 22 5.869 9.684 -10.955 1.00 1.06 H new ATOM 0 HG23 THR A 22 7.124 8.637 -11.659 1.00 1.06 H new ATOM 324 N ASP A 23 2.385 6.370 -11.851 1.00 0.93 N ATOM 325 CA ASP A 23 1.161 5.692 -12.319 1.00 0.93 C ATOM 326 C ASP A 23 1.349 4.179 -12.584 1.00 0.82 C ATOM 327 O ASP A 23 0.394 3.481 -12.915 1.00 1.05 O ATOM 328 CB ASP A 23 0.568 6.467 -13.510 1.00 0.99 C ATOM 329 CG ASP A 23 -0.962 6.466 -13.651 1.00 2.93 C ATOM 330 OD1 ASP A 23 -1.654 6.204 -12.643 1.00 4.37 O ATOM 331 OD2 ASP A 23 -1.426 6.876 -14.746 1.00 3.76 O ATOM 0 H ASP A 23 2.305 6.647 -10.873 1.00 0.93 H new ATOM 0 HA ASP A 23 0.431 5.711 -11.510 1.00 0.93 H new ATOM 0 HB2 ASP A 23 0.901 7.503 -13.440 1.00 0.99 H new ATOM 0 HB3 ASP A 23 0.993 6.057 -14.426 1.00 0.99 H new ATOM 336 N SER A 24 2.555 3.636 -12.363 1.00 0.66 N ATOM 337 CA SER A 24 2.917 2.217 -12.536 1.00 0.68 C ATOM 338 C SER A 24 2.454 1.348 -11.355 1.00 0.80 C ATOM 339 O SER A 24 3.147 0.418 -10.938 1.00 1.44 O ATOM 340 CB SER A 24 4.435 2.093 -12.736 1.00 0.79 C ATOM 341 OG SER A 24 4.820 2.621 -13.989 1.00 1.49 O ATOM 0 H SER A 24 3.343 4.199 -12.044 1.00 0.66 H new ATOM 0 HA SER A 24 2.400 1.846 -13.421 1.00 0.68 H new ATOM 0 HB2 SER A 24 4.956 2.622 -11.938 1.00 0.79 H new ATOM 0 HB3 SER A 24 4.731 1.046 -12.671 1.00 0.79 H new ATOM 0 HG SER A 24 5.790 2.534 -14.096 1.00 1.49 H new ATOM 347 N PHE A 25 1.303 1.677 -10.763 1.00 0.69 N ATOM 348 CA PHE A 25 0.868 1.097 -9.500 1.00 0.69 C ATOM 349 C PHE A 25 0.387 -0.358 -9.673 1.00 0.97 C ATOM 350 O PHE A 25 -0.747 -0.597 -10.090 1.00 2.06 O ATOM 351 CB PHE A 25 -0.244 1.955 -8.882 1.00 0.75 C ATOM 352 CG PHE A 25 -0.736 1.455 -7.538 1.00 0.95 C ATOM 353 CD1 PHE A 25 -0.032 1.790 -6.367 1.00 1.90 C ATOM 354 CD2 PHE A 25 -1.885 0.645 -7.457 1.00 2.55 C ATOM 355 CE1 PHE A 25 -0.458 1.292 -5.123 1.00 1.88 C ATOM 356 CE2 PHE A 25 -2.316 0.155 -6.212 1.00 2.82 C ATOM 357 CZ PHE A 25 -1.595 0.467 -5.045 1.00 1.52 C ATOM 0 H PHE A 25 0.648 2.356 -11.151 1.00 0.69 H new ATOM 0 HA PHE A 25 1.727 1.081 -8.829 1.00 0.69 H new ATOM 0 HB2 PHE A 25 0.121 2.976 -8.767 1.00 0.75 H new ATOM 0 HB3 PHE A 25 -1.086 1.994 -9.574 1.00 0.75 H new ATOM 0 HD1 PHE A 25 0.836 2.430 -6.424 1.00 1.90 H new ATOM 0 HD2 PHE A 25 -2.436 0.400 -8.353 1.00 2.55 H new ATOM 0 HE1 PHE A 25 0.088 1.543 -4.226 1.00 1.88 H new ATOM 0 HE2 PHE A 25 -3.201 -0.461 -6.151 1.00 2.82 H new ATOM 0 HZ PHE A 25 -1.914 0.074 -4.091 1.00 1.52 H new ATOM 367 N ASP A 26 1.221 -1.343 -9.328 1.00 0.63 N ATOM 368 CA ASP A 26 0.885 -2.766 -9.445 1.00 0.73 C ATOM 369 C ASP A 26 0.751 -3.431 -8.055 1.00 0.60 C ATOM 370 O ASP A 26 1.696 -4.010 -7.515 1.00 0.55 O ATOM 371 CB ASP A 26 1.874 -3.432 -10.416 1.00 1.05 C ATOM 372 CG ASP A 26 1.369 -4.795 -10.894 1.00 1.88 C ATOM 373 OD1 ASP A 26 1.039 -5.625 -10.022 1.00 3.03 O ATOM 374 OD2 ASP A 26 1.274 -5.020 -12.119 1.00 2.56 O ATOM 0 H ASP A 26 2.156 -1.175 -8.957 1.00 0.63 H new ATOM 0 HA ASP A 26 -0.104 -2.901 -9.882 1.00 0.73 H new ATOM 0 HB2 ASP A 26 2.033 -2.781 -11.276 1.00 1.05 H new ATOM 0 HB3 ASP A 26 2.840 -3.554 -9.925 1.00 1.05 H new ATOM 379 N HIS A 27 -0.444 -3.306 -7.451 1.00 0.80 N ATOM 380 CA HIS A 27 -0.759 -3.799 -6.098 1.00 0.78 C ATOM 381 C HIS A 27 -0.450 -5.292 -5.918 1.00 0.64 C ATOM 382 O HIS A 27 0.206 -5.678 -4.951 1.00 0.52 O ATOM 383 CB HIS A 27 -2.230 -3.481 -5.741 1.00 1.03 C ATOM 384 CG HIS A 27 -2.456 -2.912 -4.356 1.00 2.31 C ATOM 385 ND1 HIS A 27 -1.575 -2.926 -3.295 1.00 4.22 N ATOM 386 CD2 HIS A 27 -3.554 -2.194 -3.962 1.00 3.40 C ATOM 387 CE1 HIS A 27 -2.119 -2.191 -2.309 1.00 5.84 C ATOM 388 NE2 HIS A 27 -3.326 -1.735 -2.665 1.00 5.35 N ATOM 0 H HIS A 27 -1.237 -2.848 -7.901 1.00 0.80 H new ATOM 0 HA HIS A 27 -0.105 -3.272 -5.403 1.00 0.78 H new ATOM 0 HB2 HIS A 27 -2.619 -2.773 -6.473 1.00 1.03 H new ATOM 0 HB3 HIS A 27 -2.815 -4.395 -5.839 1.00 1.03 H new ATOM 0 HD2 HIS A 27 -4.441 -2.015 -4.552 1.00 3.40 H new ATOM 0 HE1 HIS A 27 -1.646 -1.995 -1.358 1.00 5.84 H new ATOM 0 HE2 HIS A 27 -3.955 -1.165 -2.100 1.00 5.35 H new ATOM 396 N LYS A 28 -0.894 -6.103 -6.886 1.00 0.74 N ATOM 397 CA LYS A 28 -0.528 -7.509 -7.120 1.00 0.80 C ATOM 398 C LYS A 28 0.985 -7.750 -7.048 1.00 0.62 C ATOM 399 O LYS A 28 1.406 -8.516 -6.178 1.00 0.72 O ATOM 400 CB LYS A 28 -1.169 -8.086 -8.407 1.00 1.08 C ATOM 401 CG LYS A 28 -1.594 -7.115 -9.532 1.00 1.29 C ATOM 402 CD LYS A 28 -1.155 -7.589 -10.924 1.00 2.63 C ATOM 403 CE LYS A 28 -1.437 -6.498 -11.965 1.00 2.77 C ATOM 404 NZ LYS A 28 -2.606 -6.831 -12.812 1.00 3.58 N ATOM 0 H LYS A 28 -1.567 -5.772 -7.577 1.00 0.74 H new ATOM 0 HA LYS A 28 -0.957 -8.073 -6.292 1.00 0.80 H new ATOM 0 HB2 LYS A 28 -0.463 -8.798 -8.836 1.00 1.08 H new ATOM 0 HB3 LYS A 28 -2.052 -8.652 -8.110 1.00 1.08 H new ATOM 0 HG2 LYS A 28 -2.678 -7.001 -9.517 1.00 1.29 H new ATOM 0 HG3 LYS A 28 -1.167 -6.131 -9.337 1.00 1.29 H new ATOM 0 HD2 LYS A 28 -0.092 -7.829 -10.916 1.00 2.63 H new ATOM 0 HD3 LYS A 28 -1.686 -8.503 -11.190 1.00 2.63 H new ATOM 0 HE2 LYS A 28 -1.615 -5.550 -11.458 1.00 2.77 H new ATOM 0 HE3 LYS A 28 -0.559 -6.362 -12.596 1.00 2.77 H new ATOM 0 HZ1 LYS A 28 -2.763 -6.069 -13.502 1.00 3.58 H new ATOM 0 HZ2 LYS A 28 -2.427 -7.723 -13.316 1.00 3.58 H new ATOM 0 HZ3 LYS A 28 -3.450 -6.935 -12.213 1.00 3.58 H new ATOM 418 N LYS A 29 1.805 -7.123 -7.907 1.00 0.54 N ATOM 419 CA LYS A 29 3.273 -7.236 -7.851 1.00 0.55 C ATOM 420 C LYS A 29 3.795 -6.835 -6.486 1.00 0.42 C ATOM 421 O LYS A 29 4.540 -7.621 -5.918 1.00 0.47 O ATOM 422 CB LYS A 29 3.999 -6.414 -8.939 1.00 0.79 C ATOM 423 CG LYS A 29 4.473 -7.153 -10.204 1.00 0.80 C ATOM 424 CD LYS A 29 3.450 -8.064 -10.900 1.00 1.88 C ATOM 425 CE LYS A 29 3.569 -9.496 -10.365 1.00 3.34 C ATOM 426 NZ LYS A 29 2.528 -10.394 -10.897 1.00 5.32 N ATOM 0 H LYS A 29 1.469 -6.523 -8.661 1.00 0.54 H new ATOM 0 HA LYS A 29 3.492 -8.287 -8.042 1.00 0.55 H new ATOM 0 HB2 LYS A 29 3.332 -5.610 -9.251 1.00 0.79 H new ATOM 0 HB3 LYS A 29 4.869 -5.946 -8.479 1.00 0.79 H new ATOM 0 HG2 LYS A 29 4.811 -6.409 -10.925 1.00 0.80 H new ATOM 0 HG3 LYS A 29 5.341 -7.757 -9.939 1.00 0.80 H new ATOM 0 HD2 LYS A 29 2.441 -7.687 -10.731 1.00 1.88 H new ATOM 0 HD3 LYS A 29 3.617 -8.055 -11.977 1.00 1.88 H new ATOM 0 HE2 LYS A 29 4.551 -9.894 -10.621 1.00 3.34 H new ATOM 0 HE3 LYS A 29 3.506 -9.479 -9.277 1.00 3.34 H new ATOM 0 HZ1 LYS A 29 2.194 -11.024 -10.140 1.00 5.32 H new ATOM 0 HZ2 LYS A 29 1.731 -9.829 -11.254 1.00 5.32 H new ATOM 0 HZ3 LYS A 29 2.924 -10.963 -11.672 1.00 5.32 H new ATOM 440 N PHE A 30 3.395 -5.681 -5.942 1.00 0.40 N ATOM 441 CA PHE A 30 3.849 -5.269 -4.614 1.00 0.44 C ATOM 442 C PHE A 30 3.573 -6.348 -3.560 1.00 0.40 C ATOM 443 O PHE A 30 4.502 -6.800 -2.896 1.00 0.48 O ATOM 444 CB PHE A 30 3.230 -3.932 -4.204 1.00 0.54 C ATOM 445 CG PHE A 30 3.794 -3.445 -2.882 1.00 0.62 C ATOM 446 CD1 PHE A 30 3.240 -3.876 -1.660 1.00 2.19 C ATOM 447 CD2 PHE A 30 4.920 -2.603 -2.876 1.00 1.83 C ATOM 448 CE1 PHE A 30 3.850 -3.512 -0.448 1.00 2.26 C ATOM 449 CE2 PHE A 30 5.508 -2.209 -1.662 1.00 1.95 C ATOM 450 CZ PHE A 30 4.996 -2.702 -0.452 1.00 1.09 C ATOM 0 H PHE A 30 2.763 -5.022 -6.398 1.00 0.40 H new ATOM 0 HA PHE A 30 4.929 -5.135 -4.671 1.00 0.44 H new ATOM 0 HB2 PHE A 30 3.419 -3.189 -4.978 1.00 0.54 H new ATOM 0 HB3 PHE A 30 2.148 -4.039 -4.123 1.00 0.54 H new ATOM 0 HD1 PHE A 30 2.348 -4.485 -1.655 1.00 2.19 H new ATOM 0 HD2 PHE A 30 5.336 -2.257 -3.811 1.00 1.83 H new ATOM 0 HE1 PHE A 30 3.436 -3.856 0.488 1.00 2.26 H new ATOM 0 HE2 PHE A 30 6.349 -1.531 -1.660 1.00 1.95 H new ATOM 0 HZ PHE A 30 5.485 -2.457 0.479 1.00 1.09 H new ATOM 460 N PHE A 31 2.318 -6.794 -3.427 1.00 0.37 N ATOM 461 CA PHE A 31 1.936 -7.815 -2.453 1.00 0.39 C ATOM 462 C PHE A 31 2.670 -9.150 -2.658 1.00 0.36 C ATOM 463 O PHE A 31 3.027 -9.802 -1.676 1.00 0.46 O ATOM 464 CB PHE A 31 0.421 -8.041 -2.480 1.00 0.52 C ATOM 465 CG PHE A 31 -0.380 -7.239 -1.464 1.00 0.69 C ATOM 466 CD1 PHE A 31 -0.423 -5.834 -1.517 1.00 1.64 C ATOM 467 CD2 PHE A 31 -1.143 -7.913 -0.492 1.00 2.40 C ATOM 468 CE1 PHE A 31 -1.213 -5.121 -0.596 1.00 1.68 C ATOM 469 CE2 PHE A 31 -1.892 -7.201 0.454 1.00 2.54 C ATOM 470 CZ PHE A 31 -1.952 -5.801 0.385 1.00 1.14 C ATOM 0 H PHE A 31 1.541 -6.455 -3.994 1.00 0.37 H new ATOM 0 HA PHE A 31 2.235 -7.435 -1.476 1.00 0.39 H new ATOM 0 HB2 PHE A 31 0.053 -7.801 -3.478 1.00 0.52 H new ATOM 0 HB3 PHE A 31 0.226 -9.101 -2.315 1.00 0.52 H new ATOM 0 HD1 PHE A 31 0.149 -5.303 -2.263 1.00 1.64 H new ATOM 0 HD2 PHE A 31 -1.151 -8.993 -0.475 1.00 2.40 H new ATOM 0 HE1 PHE A 31 -1.251 -4.043 -0.644 1.00 1.68 H new ATOM 0 HE2 PHE A 31 -2.421 -7.728 1.234 1.00 2.54 H new ATOM 0 HZ PHE A 31 -2.564 -5.249 1.083 1.00 1.14 H new ATOM 480 N GLN A 32 2.890 -9.557 -3.913 1.00 0.33 N ATOM 481 CA GLN A 32 3.649 -10.759 -4.265 1.00 0.34 C ATOM 482 C GLN A 32 5.142 -10.604 -3.913 1.00 0.32 C ATOM 483 O GLN A 32 5.700 -11.461 -3.233 1.00 0.36 O ATOM 484 CB GLN A 32 3.427 -11.074 -5.762 1.00 0.41 C ATOM 485 CG GLN A 32 2.003 -11.611 -6.020 1.00 0.50 C ATOM 486 CD GLN A 32 1.514 -11.476 -7.467 1.00 0.98 C ATOM 487 OE1 GLN A 32 2.240 -11.608 -8.447 1.00 1.99 O ATOM 488 NE2 GLN A 32 0.229 -11.235 -7.659 1.00 0.99 N ATOM 0 H GLN A 32 2.539 -9.050 -4.726 1.00 0.33 H new ATOM 0 HA GLN A 32 3.288 -11.603 -3.677 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.590 -10.173 -6.353 1.00 0.41 H new ATOM 0 HB3 GLN A 32 4.160 -11.809 -6.093 1.00 0.41 H new ATOM 0 HG2 GLN A 32 1.971 -12.663 -5.738 1.00 0.50 H new ATOM 0 HG3 GLN A 32 1.308 -11.084 -5.366 1.00 0.50 H new ATOM 0 HE21 GLN A 32 -0.394 -11.122 -6.859 1.00 0.99 H new ATOM 0 HE22 GLN A 32 -0.140 -11.162 -8.607 1.00 0.99 H new ATOM 497 N MET A 33 5.767 -9.496 -4.333 1.00 0.35 N ATOM 498 CA MET A 33 7.170 -9.128 -4.089 1.00 0.42 C ATOM 499 C MET A 33 7.488 -8.992 -2.595 1.00 0.44 C ATOM 500 O MET A 33 8.481 -9.547 -2.134 1.00 0.51 O ATOM 501 CB MET A 33 7.493 -7.792 -4.785 1.00 0.58 C ATOM 502 CG MET A 33 7.606 -7.875 -6.310 1.00 0.74 C ATOM 503 SD MET A 33 9.100 -8.696 -6.921 1.00 1.94 S ATOM 504 CE MET A 33 9.473 -7.624 -8.335 1.00 1.47 C ATOM 0 H MET A 33 5.279 -8.790 -4.885 1.00 0.35 H new ATOM 0 HA MET A 33 7.782 -9.933 -4.496 1.00 0.42 H new ATOM 0 HB2 MET A 33 6.718 -7.069 -4.531 1.00 0.58 H new ATOM 0 HB3 MET A 33 8.431 -7.407 -4.385 1.00 0.58 H new ATOM 0 HG2 MET A 33 6.735 -8.404 -6.696 1.00 0.74 H new ATOM 0 HG3 MET A 33 7.572 -6.865 -6.718 1.00 0.74 H new ATOM 0 HE1 MET A 33 10.372 -7.983 -8.836 1.00 1.47 H new ATOM 0 HE2 MET A 33 8.637 -7.640 -9.034 1.00 1.47 H new ATOM 0 HE3 MET A 33 9.635 -6.604 -7.986 1.00 1.47 H new ATOM 514 N VAL A 34 6.657 -8.250 -1.850 1.00 0.42 N ATOM 515 CA VAL A 34 6.824 -7.986 -0.413 1.00 0.41 C ATOM 516 C VAL A 34 6.451 -9.202 0.462 1.00 0.44 C ATOM 517 O VAL A 34 6.674 -9.182 1.670 1.00 0.49 O ATOM 518 CB VAL A 34 5.984 -6.754 -0.012 1.00 0.43 C ATOM 519 CG1 VAL A 34 4.555 -7.070 0.402 1.00 0.66 C ATOM 520 CG2 VAL A 34 6.680 -5.973 1.093 1.00 0.39 C ATOM 0 H VAL A 34 5.827 -7.804 -2.241 1.00 0.42 H new ATOM 0 HA VAL A 34 7.881 -7.787 -0.236 1.00 0.41 H new ATOM 0 HB VAL A 34 5.908 -6.151 -0.917 1.00 0.43 H new ATOM 0 HG11 VAL A 34 4.040 -6.146 0.667 1.00 0.66 H new ATOM 0 HG12 VAL A 34 4.034 -7.551 -0.426 1.00 0.66 H new ATOM 0 HG13 VAL A 34 4.565 -7.739 1.262 1.00 0.66 H new ATOM 0 HG21 VAL A 34 6.075 -5.108 1.364 1.00 0.39 H new ATOM 0 HG22 VAL A 34 6.809 -6.613 1.966 1.00 0.39 H new ATOM 0 HG23 VAL A 34 7.656 -5.637 0.742 1.00 0.39 H new ATOM 530 N GLY A 35 5.833 -10.242 -0.121 1.00 0.46 N ATOM 531 CA GLY A 35 5.392 -11.441 0.593 1.00 0.53 C ATOM 532 C GLY A 35 4.091 -11.278 1.390 1.00 0.41 C ATOM 533 O GLY A 35 3.697 -12.213 2.081 1.00 0.44 O ATOM 0 H GLY A 35 5.624 -10.269 -1.119 1.00 0.46 H new ATOM 0 HA2 GLY A 35 5.260 -12.247 -0.128 1.00 0.53 H new ATOM 0 HA3 GLY A 35 6.183 -11.751 1.276 1.00 0.53 H new ATOM 537 N LEU A 36 3.404 -10.135 1.282 1.00 0.39 N ATOM 538 CA LEU A 36 2.193 -9.744 2.020 1.00 0.36 C ATOM 539 C LEU A 36 1.125 -10.840 2.028 1.00 0.36 C ATOM 540 O LEU A 36 0.778 -11.368 3.077 1.00 0.42 O ATOM 541 CB LEU A 36 1.624 -8.458 1.394 1.00 0.38 C ATOM 542 CG LEU A 36 1.611 -7.230 2.308 1.00 0.73 C ATOM 543 CD1 LEU A 36 1.364 -5.946 1.505 1.00 0.66 C ATOM 544 CD2 LEU A 36 0.511 -7.442 3.353 1.00 1.28 C ATOM 0 H LEU A 36 3.699 -9.407 0.632 1.00 0.39 H new ATOM 0 HA LEU A 36 2.474 -9.575 3.060 1.00 0.36 H new ATOM 0 HB2 LEU A 36 2.206 -8.220 0.503 1.00 0.38 H new ATOM 0 HB3 LEU A 36 0.604 -8.655 1.065 1.00 0.38 H new ATOM 0 HG LEU A 36 2.579 -7.115 2.795 1.00 0.73 H new ATOM 0 HD11 LEU A 36 1.360 -5.090 2.180 1.00 0.66 H new ATOM 0 HD12 LEU A 36 2.155 -5.821 0.766 1.00 0.66 H new ATOM 0 HD13 LEU A 36 0.401 -6.013 0.998 1.00 0.66 H new ATOM 0 HD21 LEU A 36 0.475 -6.583 4.022 1.00 1.28 H new ATOM 0 HD22 LEU A 36 -0.451 -7.552 2.852 1.00 1.28 H new ATOM 0 HD23 LEU A 36 0.725 -8.342 3.929 1.00 1.28 H new ATOM 556 N LYS A 37 0.654 -11.196 0.829 1.00 0.36 N ATOM 557 CA LYS A 37 -0.285 -12.312 0.562 1.00 0.42 C ATOM 558 C LYS A 37 0.147 -13.661 1.180 1.00 0.39 C ATOM 559 O LYS A 37 -0.707 -14.527 1.348 1.00 0.44 O ATOM 560 CB LYS A 37 -0.479 -12.523 -0.956 1.00 0.60 C ATOM 561 CG LYS A 37 -1.637 -11.722 -1.580 1.00 0.63 C ATOM 562 CD LYS A 37 -2.369 -12.515 -2.673 1.00 0.73 C ATOM 563 CE LYS A 37 -1.460 -12.816 -3.871 1.00 0.79 C ATOM 564 NZ LYS A 37 -2.167 -13.650 -4.873 1.00 1.22 N ATOM 0 H LYS A 37 0.921 -10.701 -0.022 1.00 0.36 H new ATOM 0 HA LYS A 37 -1.217 -12.008 1.039 1.00 0.42 H new ATOM 0 HB2 LYS A 37 0.446 -12.254 -1.466 1.00 0.60 H new ATOM 0 HB3 LYS A 37 -0.649 -13.584 -1.142 1.00 0.60 H new ATOM 0 HG2 LYS A 37 -2.345 -11.443 -0.800 1.00 0.63 H new ATOM 0 HG3 LYS A 37 -1.249 -10.796 -2.004 1.00 0.63 H new ATOM 0 HD2 LYS A 37 -2.740 -13.451 -2.255 1.00 0.73 H new ATOM 0 HD3 LYS A 37 -3.238 -11.950 -3.010 1.00 0.73 H new ATOM 0 HE2 LYS A 37 -1.137 -11.882 -4.331 1.00 0.79 H new ATOM 0 HE3 LYS A 37 -0.562 -13.331 -3.531 1.00 0.79 H new ATOM 0 HZ1 LYS A 37 -1.471 -14.158 -5.455 1.00 1.22 H new ATOM 0 HZ2 LYS A 37 -2.778 -14.336 -4.385 1.00 1.22 H new ATOM 0 HZ3 LYS A 37 -2.749 -13.041 -5.483 1.00 1.22 H new ATOM 578 N LYS A 38 1.441 -13.867 1.477 1.00 0.41 N ATOM 579 CA LYS A 38 1.990 -15.081 2.109 1.00 0.51 C ATOM 580 C LYS A 38 2.223 -14.916 3.617 1.00 0.37 C ATOM 581 O LYS A 38 2.398 -15.911 4.317 1.00 0.45 O ATOM 582 CB LYS A 38 3.293 -15.508 1.409 1.00 0.71 C ATOM 583 CG LYS A 38 3.107 -15.607 -0.112 1.00 2.85 C ATOM 584 CD LYS A 38 4.197 -16.426 -0.813 1.00 3.23 C ATOM 585 CE LYS A 38 5.555 -15.714 -0.831 1.00 3.50 C ATOM 586 NZ LYS A 38 6.583 -16.537 -1.514 1.00 4.08 N ATOM 0 H LYS A 38 2.159 -13.170 1.277 1.00 0.41 H new ATOM 0 HA LYS A 38 1.240 -15.863 1.990 1.00 0.51 H new ATOM 0 HB2 LYS A 38 4.081 -14.789 1.634 1.00 0.71 H new ATOM 0 HB3 LYS A 38 3.619 -16.472 1.800 1.00 0.71 H new ATOM 0 HG2 LYS A 38 2.136 -16.055 -0.322 1.00 2.85 H new ATOM 0 HG3 LYS A 38 3.092 -14.602 -0.534 1.00 2.85 H new ATOM 0 HD2 LYS A 38 4.302 -17.388 -0.311 1.00 3.23 H new ATOM 0 HD3 LYS A 38 3.887 -16.634 -1.837 1.00 3.23 H new ATOM 0 HE2 LYS A 38 5.458 -14.754 -1.338 1.00 3.50 H new ATOM 0 HE3 LYS A 38 5.873 -15.505 0.191 1.00 3.50 H new ATOM 0 HZ1 LYS A 38 7.491 -16.031 -1.511 1.00 4.08 H new ATOM 0 HZ2 LYS A 38 6.690 -17.443 -1.015 1.00 4.08 H new ATOM 0 HZ3 LYS A 38 6.289 -16.715 -2.496 1.00 4.08 H new ATOM 600 N LYS A 39 2.208 -13.675 4.115 1.00 0.28 N ATOM 601 CA LYS A 39 2.098 -13.324 5.528 1.00 0.27 C ATOM 602 C LYS A 39 0.632 -13.439 5.993 1.00 0.27 C ATOM 603 O LYS A 39 -0.278 -13.670 5.198 1.00 0.28 O ATOM 604 CB LYS A 39 2.696 -11.913 5.732 1.00 0.32 C ATOM 605 CG LYS A 39 3.972 -11.955 6.585 1.00 1.08 C ATOM 606 CD LYS A 39 5.223 -12.427 5.828 1.00 0.62 C ATOM 607 CE LYS A 39 6.335 -12.700 6.852 1.00 1.43 C ATOM 608 NZ LYS A 39 7.650 -12.921 6.208 1.00 2.19 N ATOM 0 H LYS A 39 2.275 -12.854 3.514 1.00 0.28 H new ATOM 0 HA LYS A 39 2.665 -14.018 6.148 1.00 0.27 H new ATOM 0 HB2 LYS A 39 2.921 -11.469 4.762 1.00 0.32 H new ATOM 0 HB3 LYS A 39 1.958 -11.271 6.213 1.00 0.32 H new ATOM 0 HG2 LYS A 39 4.159 -10.959 6.987 1.00 1.08 H new ATOM 0 HG3 LYS A 39 3.805 -12.616 7.435 1.00 1.08 H new ATOM 0 HD2 LYS A 39 5.003 -13.329 5.257 1.00 0.62 H new ATOM 0 HD3 LYS A 39 5.543 -11.668 5.114 1.00 0.62 H new ATOM 0 HE2 LYS A 39 6.407 -11.858 7.540 1.00 1.43 H new ATOM 0 HE3 LYS A 39 6.072 -13.575 7.446 1.00 1.43 H new ATOM 0 HZ1 LYS A 39 8.220 -13.564 6.794 1.00 2.19 H new ATOM 0 HZ2 LYS A 39 7.510 -13.342 5.267 1.00 2.19 H new ATOM 0 HZ3 LYS A 39 8.146 -12.012 6.110 1.00 2.19 H new ATOM 622 N SER A 40 0.407 -13.337 7.307 1.00 0.35 N ATOM 623 CA SER A 40 -0.916 -13.553 7.913 1.00 0.40 C ATOM 624 C SER A 40 -1.887 -12.386 7.669 1.00 0.44 C ATOM 625 O SER A 40 -1.472 -11.239 7.500 1.00 0.44 O ATOM 626 CB SER A 40 -0.740 -13.797 9.417 1.00 0.49 C ATOM 627 OG SER A 40 -1.989 -14.043 10.037 1.00 1.91 O ATOM 0 H SER A 40 1.135 -13.103 7.982 1.00 0.35 H new ATOM 0 HA SER A 40 -1.363 -14.425 7.434 1.00 0.40 H new ATOM 0 HB2 SER A 40 -0.076 -14.647 9.577 1.00 0.49 H new ATOM 0 HB3 SER A 40 -0.265 -12.931 9.877 1.00 0.49 H new ATOM 0 HG SER A 40 -1.854 -14.198 10.995 1.00 1.91 H new ATOM 633 N ALA A 41 -3.195 -12.651 7.788 1.00 0.52 N ATOM 634 CA ALA A 41 -4.244 -11.633 7.888 1.00 0.54 C ATOM 635 C ALA A 41 -3.955 -10.621 9.007 1.00 0.52 C ATOM 636 O ALA A 41 -4.135 -9.411 8.847 1.00 0.51 O ATOM 637 CB ALA A 41 -5.574 -12.333 8.175 1.00 0.62 C ATOM 0 H ALA A 41 -3.560 -13.603 7.818 1.00 0.52 H new ATOM 0 HA ALA A 41 -4.283 -11.085 6.947 1.00 0.54 H new ATOM 0 HB1 ALA A 41 -6.367 -11.589 8.253 1.00 0.62 H new ATOM 0 HB2 ALA A 41 -5.803 -13.025 7.365 1.00 0.62 H new ATOM 0 HB3 ALA A 41 -5.500 -12.884 9.113 1.00 0.62 H new ATOM 643 N ASP A 42 -3.472 -11.126 10.147 1.00 0.55 N ATOM 644 CA ASP A 42 -3.100 -10.282 11.272 1.00 0.57 C ATOM 645 C ASP A 42 -1.732 -9.617 11.098 1.00 0.42 C ATOM 646 O ASP A 42 -1.393 -8.764 11.914 1.00 0.64 O ATOM 647 CB ASP A 42 -3.200 -11.073 12.581 1.00 0.85 C ATOM 648 CG ASP A 42 -4.667 -11.330 12.935 1.00 2.10 C ATOM 649 OD1 ASP A 42 -5.432 -10.332 12.961 1.00 3.12 O ATOM 650 OD2 ASP A 42 -5.007 -12.508 13.160 1.00 3.16 O ATOM 0 H ASP A 42 -3.331 -12.123 10.309 1.00 0.55 H new ATOM 0 HA ASP A 42 -3.813 -9.458 11.313 1.00 0.57 H new ATOM 0 HB2 ASP A 42 -2.671 -12.021 12.482 1.00 0.85 H new ATOM 0 HB3 ASP A 42 -2.716 -10.520 13.386 1.00 0.85 H new ATOM 655 N ASP A 43 -0.972 -9.939 10.044 1.00 0.48 N ATOM 656 CA ASP A 43 0.177 -9.151 9.590 1.00 0.41 C ATOM 657 C ASP A 43 -0.268 -8.065 8.601 1.00 0.44 C ATOM 658 O ASP A 43 0.088 -6.902 8.784 1.00 0.53 O ATOM 659 CB ASP A 43 1.237 -10.063 8.968 1.00 0.35 C ATOM 660 CG ASP A 43 2.578 -9.339 8.949 1.00 0.92 C ATOM 661 OD1 ASP A 43 3.196 -9.314 10.033 1.00 1.71 O ATOM 662 OD2 ASP A 43 2.931 -8.784 7.886 1.00 2.07 O ATOM 0 H ASP A 43 -1.142 -10.768 9.475 1.00 0.48 H new ATOM 0 HA ASP A 43 0.621 -8.655 10.453 1.00 0.41 H new ATOM 0 HB2 ASP A 43 1.318 -10.988 9.540 1.00 0.35 H new ATOM 0 HB3 ASP A 43 0.946 -10.339 7.955 1.00 0.35 H new ATOM 667 N VAL A 44 -1.142 -8.410 7.639 1.00 0.42 N ATOM 668 CA VAL A 44 -1.858 -7.503 6.726 1.00 0.45 C ATOM 669 C VAL A 44 -2.434 -6.283 7.470 1.00 0.48 C ATOM 670 O VAL A 44 -2.339 -5.165 6.959 1.00 0.57 O ATOM 671 CB VAL A 44 -2.908 -8.325 5.931 1.00 0.46 C ATOM 672 CG1 VAL A 44 -4.245 -7.627 5.693 1.00 0.79 C ATOM 673 CG2 VAL A 44 -2.375 -8.768 4.567 1.00 0.77 C ATOM 0 H VAL A 44 -1.381 -9.387 7.468 1.00 0.42 H new ATOM 0 HA VAL A 44 -1.167 -7.070 6.002 1.00 0.45 H new ATOM 0 HB VAL A 44 -3.090 -9.177 6.586 1.00 0.46 H new ATOM 0 HG11 VAL A 44 -4.905 -8.287 5.130 1.00 0.79 H new ATOM 0 HG12 VAL A 44 -4.705 -7.386 6.651 1.00 0.79 H new ATOM 0 HG13 VAL A 44 -4.081 -6.710 5.128 1.00 0.79 H new ATOM 0 HG21 VAL A 44 -3.142 -9.340 4.045 1.00 0.77 H new ATOM 0 HG22 VAL A 44 -2.112 -7.890 3.977 1.00 0.77 H new ATOM 0 HG23 VAL A 44 -1.491 -9.390 4.706 1.00 0.77 H new ATOM 683 N LYS A 45 -2.918 -6.472 8.712 1.00 0.51 N ATOM 684 CA LYS A 45 -3.176 -5.399 9.689 1.00 0.69 C ATOM 685 C LYS A 45 -1.976 -4.479 9.913 1.00 0.84 C ATOM 686 O LYS A 45 -2.051 -3.311 9.552 1.00 1.20 O ATOM 687 CB LYS A 45 -3.658 -5.967 11.033 1.00 0.86 C ATOM 688 CG LYS A 45 -5.166 -6.226 11.046 1.00 1.12 C ATOM 689 CD LYS A 45 -5.621 -6.611 12.463 1.00 1.40 C ATOM 690 CE LYS A 45 -7.059 -7.135 12.499 1.00 1.74 C ATOM 691 NZ LYS A 45 -7.142 -8.537 12.023 1.00 3.34 N ATOM 0 H LYS A 45 -3.146 -7.399 9.072 1.00 0.51 H new ATOM 0 HA LYS A 45 -3.968 -4.792 9.250 1.00 0.69 H new ATOM 0 HB2 LYS A 45 -3.130 -6.897 11.242 1.00 0.86 H new ATOM 0 HB3 LYS A 45 -3.404 -5.270 11.832 1.00 0.86 H new ATOM 0 HG2 LYS A 45 -5.699 -5.335 10.713 1.00 1.12 H new ATOM 0 HG3 LYS A 45 -5.412 -7.025 10.346 1.00 1.12 H new ATOM 0 HD2 LYS A 45 -4.951 -7.373 12.861 1.00 1.40 H new ATOM 0 HD3 LYS A 45 -5.539 -5.742 13.115 1.00 1.40 H new ATOM 0 HE2 LYS A 45 -7.444 -7.072 13.517 1.00 1.74 H new ATOM 0 HE3 LYS A 45 -7.693 -6.502 11.879 1.00 1.74 H new ATOM 0 HZ1 LYS A 45 -8.040 -8.958 12.337 1.00 3.34 H new ATOM 0 HZ2 LYS A 45 -7.096 -8.554 10.984 1.00 3.34 H new ATOM 0 HZ3 LYS A 45 -6.348 -9.084 12.414 1.00 3.34 H new ATOM 705 N LYS A 46 -0.883 -4.963 10.522 1.00 0.63 N ATOM 706 CA LYS A 46 0.301 -4.142 10.833 1.00 0.70 C ATOM 707 C LYS A 46 0.896 -3.487 9.582 1.00 0.69 C ATOM 708 O LYS A 46 1.473 -2.406 9.714 1.00 0.79 O ATOM 709 CB LYS A 46 1.405 -4.935 11.552 1.00 0.77 C ATOM 710 CG LYS A 46 1.102 -5.346 13.002 1.00 0.98 C ATOM 711 CD LYS A 46 0.349 -6.673 13.048 1.00 1.33 C ATOM 712 CE LYS A 46 0.233 -7.261 14.455 1.00 1.68 C ATOM 713 NZ LYS A 46 -0.275 -8.650 14.372 1.00 2.22 N ATOM 0 H LYS A 46 -0.793 -5.936 10.814 1.00 0.63 H new ATOM 0 HA LYS A 46 -0.063 -3.366 11.506 1.00 0.70 H new ATOM 0 HB2 LYS A 46 1.612 -5.836 10.975 1.00 0.77 H new ATOM 0 HB3 LYS A 46 2.316 -4.337 11.547 1.00 0.77 H new ATOM 0 HG2 LYS A 46 2.033 -5.433 13.561 1.00 0.98 H new ATOM 0 HG3 LYS A 46 0.510 -4.570 13.487 1.00 0.98 H new ATOM 0 HD2 LYS A 46 -0.651 -6.528 12.640 1.00 1.33 H new ATOM 0 HD3 LYS A 46 0.855 -7.391 12.403 1.00 1.33 H new ATOM 0 HE2 LYS A 46 1.205 -7.247 14.947 1.00 1.68 H new ATOM 0 HE3 LYS A 46 -0.439 -6.653 15.060 1.00 1.68 H new ATOM 0 HZ1 LYS A 46 -1.162 -8.728 14.910 1.00 2.22 H new ATOM 0 HZ2 LYS A 46 -0.451 -8.897 13.377 1.00 2.22 H new ATOM 0 HZ3 LYS A 46 0.430 -9.302 14.771 1.00 2.22 H new ATOM 727 N VAL A 47 0.744 -4.115 8.410 1.00 0.61 N ATOM 728 CA VAL A 47 1.082 -3.542 7.104 1.00 0.56 C ATOM 729 C VAL A 47 0.198 -2.321 6.814 1.00 0.50 C ATOM 730 O VAL A 47 0.696 -1.196 6.886 1.00 0.42 O ATOM 731 CB VAL A 47 1.041 -4.608 5.990 1.00 0.63 C ATOM 732 CG1 VAL A 47 1.416 -4.013 4.627 1.00 0.70 C ATOM 733 CG2 VAL A 47 2.041 -5.732 6.282 1.00 0.71 C ATOM 0 H VAL A 47 0.372 -5.062 8.343 1.00 0.61 H new ATOM 0 HA VAL A 47 2.112 -3.187 7.129 1.00 0.56 H new ATOM 0 HB VAL A 47 0.020 -4.990 5.963 1.00 0.63 H new ATOM 0 HG11 VAL A 47 1.376 -4.793 3.866 1.00 0.70 H new ATOM 0 HG12 VAL A 47 0.714 -3.220 4.371 1.00 0.70 H new ATOM 0 HG13 VAL A 47 2.425 -3.603 4.674 1.00 0.70 H new ATOM 0 HG21 VAL A 47 1.997 -6.474 5.485 1.00 0.71 H new ATOM 0 HG22 VAL A 47 3.048 -5.318 6.337 1.00 0.71 H new ATOM 0 HG23 VAL A 47 1.790 -6.204 7.232 1.00 0.71 H new ATOM 743 N PHE A 48 -1.113 -2.503 6.575 1.00 0.57 N ATOM 744 CA PHE A 48 -2.100 -1.438 6.441 1.00 0.50 C ATOM 745 C PHE A 48 -1.980 -0.328 7.505 1.00 0.42 C ATOM 746 O PHE A 48 -2.058 0.858 7.185 1.00 0.36 O ATOM 747 CB PHE A 48 -3.466 -2.129 6.494 1.00 0.63 C ATOM 748 CG PHE A 48 -4.634 -1.194 6.356 1.00 0.72 C ATOM 749 CD1 PHE A 48 -4.929 -0.616 5.110 1.00 2.07 C ATOM 750 CD2 PHE A 48 -5.420 -0.898 7.483 1.00 1.51 C ATOM 751 CE1 PHE A 48 -6.005 0.275 5.004 1.00 2.20 C ATOM 752 CE2 PHE A 48 -6.498 -0.012 7.373 1.00 1.55 C ATOM 753 CZ PHE A 48 -6.778 0.581 6.134 1.00 1.12 C ATOM 0 H PHE A 48 -1.520 -3.432 6.467 1.00 0.57 H new ATOM 0 HA PHE A 48 -1.942 -0.907 5.502 1.00 0.50 H new ATOM 0 HB2 PHE A 48 -3.515 -2.874 5.700 1.00 0.63 H new ATOM 0 HB3 PHE A 48 -3.553 -2.665 7.439 1.00 0.63 H new ATOM 0 HD1 PHE A 48 -4.332 -0.856 4.242 1.00 2.07 H new ATOM 0 HD2 PHE A 48 -5.192 -1.355 8.435 1.00 1.51 H new ATOM 0 HE1 PHE A 48 -6.240 0.727 4.051 1.00 2.20 H new ATOM 0 HE2 PHE A 48 -7.109 0.213 8.235 1.00 1.55 H new ATOM 0 HZ PHE A 48 -7.597 1.280 6.049 1.00 1.12 H new ATOM 763 N HIS A 49 -1.730 -0.697 8.767 1.00 0.48 N ATOM 764 CA HIS A 49 -1.662 0.226 9.898 1.00 0.43 C ATOM 765 C HIS A 49 -0.546 1.263 9.768 1.00 0.38 C ATOM 766 O HIS A 49 -0.690 2.339 10.342 1.00 0.67 O ATOM 767 CB HIS A 49 -1.458 -0.540 11.218 1.00 0.53 C ATOM 768 CG HIS A 49 -2.637 -1.327 11.738 1.00 1.86 C ATOM 769 ND1 HIS A 49 -2.636 -2.083 12.890 1.00 2.97 N ATOM 770 CD2 HIS A 49 -3.884 -1.428 11.181 1.00 3.21 C ATOM 771 CE1 HIS A 49 -3.859 -2.627 13.020 1.00 4.14 C ATOM 772 NE2 HIS A 49 -4.650 -2.258 12.001 1.00 4.35 N ATOM 0 H HIS A 49 -1.566 -1.668 9.032 1.00 0.48 H new ATOM 0 HA HIS A 49 -2.616 0.753 9.900 1.00 0.43 H new ATOM 0 HB2 HIS A 49 -0.622 -1.227 11.086 1.00 0.53 H new ATOM 0 HB3 HIS A 49 -1.163 0.177 11.985 1.00 0.53 H new ATOM 0 HD2 HIS A 49 -4.215 -0.951 10.270 1.00 3.21 H new ATOM 0 HE1 HIS A 49 -4.162 -3.271 13.832 1.00 4.14 H new ATOM 0 HE2 HIS A 49 -5.622 -2.531 11.854 1.00 4.35 H new ATOM 780 N MET A 50 0.543 0.948 9.060 1.00 0.30 N ATOM 781 CA MET A 50 1.681 1.850 8.872 1.00 0.47 C ATOM 782 C MET A 50 1.413 2.892 7.776 1.00 0.47 C ATOM 783 O MET A 50 1.875 4.027 7.852 1.00 0.64 O ATOM 784 CB MET A 50 2.902 1.000 8.505 1.00 0.63 C ATOM 785 CG MET A 50 4.185 1.473 9.194 1.00 0.92 C ATOM 786 SD MET A 50 4.724 3.183 8.943 1.00 2.32 S ATOM 787 CE MET A 50 5.992 3.261 10.234 1.00 1.69 C ATOM 0 H MET A 50 0.659 0.047 8.596 1.00 0.30 H new ATOM 0 HA MET A 50 1.855 2.402 9.796 1.00 0.47 H new ATOM 0 HB2 MET A 50 2.711 -0.038 8.777 1.00 0.63 H new ATOM 0 HB3 MET A 50 3.045 1.025 7.425 1.00 0.63 H new ATOM 0 HG2 MET A 50 4.061 1.319 10.266 1.00 0.92 H new ATOM 0 HG3 MET A 50 4.995 0.820 8.870 1.00 0.92 H new ATOM 0 HE1 MET A 50 6.447 4.252 10.238 1.00 1.69 H new ATOM 0 HE2 MET A 50 5.535 3.067 11.205 1.00 1.69 H new ATOM 0 HE3 MET A 50 6.758 2.511 10.037 1.00 1.69 H new ATOM 797 N LEU A 51 0.634 2.499 6.765 1.00 0.38 N ATOM 798 CA LEU A 51 0.134 3.369 5.702 1.00 0.38 C ATOM 799 C LEU A 51 -0.797 4.433 6.290 1.00 0.40 C ATOM 800 O LEU A 51 -0.704 5.599 5.916 1.00 0.47 O ATOM 801 CB LEU A 51 -0.598 2.514 4.660 1.00 0.41 C ATOM 802 CG LEU A 51 0.152 1.245 4.213 1.00 0.63 C ATOM 803 CD1 LEU A 51 -0.668 0.502 3.157 1.00 1.91 C ATOM 804 CD2 LEU A 51 1.555 1.562 3.689 1.00 2.12 C ATOM 0 H LEU A 51 0.324 1.533 6.662 1.00 0.38 H new ATOM 0 HA LEU A 51 0.966 3.881 5.219 1.00 0.38 H new ATOM 0 HB2 LEU A 51 -1.565 2.221 5.068 1.00 0.41 H new ATOM 0 HB3 LEU A 51 -0.795 3.129 3.782 1.00 0.41 H new ATOM 0 HG LEU A 51 0.277 0.604 5.086 1.00 0.63 H new ATOM 0 HD11 LEU A 51 -0.132 -0.395 2.845 1.00 1.91 H new ATOM 0 HD12 LEU A 51 -1.633 0.220 3.578 1.00 1.91 H new ATOM 0 HD13 LEU A 51 -0.824 1.150 2.295 1.00 1.91 H new ATOM 0 HD21 LEU A 51 2.047 0.638 3.385 1.00 2.12 H new ATOM 0 HD22 LEU A 51 1.481 2.232 2.833 1.00 2.12 H new ATOM 0 HD23 LEU A 51 2.137 2.042 4.476 1.00 2.12 H new ATOM 816 N ASP A 52 -1.623 4.023 7.263 1.00 0.40 N ATOM 817 CA ASP A 52 -2.432 4.869 8.141 1.00 0.54 C ATOM 818 C ASP A 52 -1.561 5.750 9.070 1.00 0.57 C ATOM 819 O ASP A 52 -1.529 5.569 10.292 1.00 0.80 O ATOM 820 CB ASP A 52 -3.460 3.984 8.882 1.00 0.67 C ATOM 821 CG ASP A 52 -4.886 4.469 8.650 1.00 0.90 C ATOM 822 OD1 ASP A 52 -5.244 5.585 9.091 1.00 1.68 O ATOM 823 OD2 ASP A 52 -5.668 3.751 8.017 1.00 2.36 O ATOM 0 H ASP A 52 -1.749 3.032 7.467 1.00 0.40 H new ATOM 0 HA ASP A 52 -2.991 5.591 7.546 1.00 0.54 H new ATOM 0 HB2 ASP A 52 -3.366 2.953 8.542 1.00 0.67 H new ATOM 0 HB3 ASP A 52 -3.242 3.989 9.950 1.00 0.67 H new ATOM 828 N LYS A 53 -0.871 6.735 8.476 1.00 0.52 N ATOM 829 CA LYS A 53 0.054 7.742 9.050 1.00 0.57 C ATOM 830 C LYS A 53 -0.617 8.757 10.008 1.00 0.72 C ATOM 831 O LYS A 53 -0.264 9.933 10.052 1.00 1.50 O ATOM 832 CB LYS A 53 0.726 8.459 7.865 1.00 0.69 C ATOM 833 CG LYS A 53 1.624 7.529 7.022 1.00 1.30 C ATOM 834 CD LYS A 53 3.107 7.621 7.400 1.00 1.71 C ATOM 835 CE LYS A 53 3.725 8.979 7.037 1.00 2.18 C ATOM 836 NZ LYS A 53 3.626 9.255 5.582 1.00 3.42 N ATOM 0 H LYS A 53 -0.952 6.866 7.468 1.00 0.52 H new ATOM 0 HA LYS A 53 0.779 7.225 9.679 1.00 0.57 H new ATOM 0 HB2 LYS A 53 -0.044 8.888 7.224 1.00 0.69 H new ATOM 0 HB3 LYS A 53 1.325 9.288 8.242 1.00 0.69 H new ATOM 0 HG2 LYS A 53 1.287 6.500 7.144 1.00 1.30 H new ATOM 0 HG3 LYS A 53 1.508 7.779 5.968 1.00 1.30 H new ATOM 0 HD2 LYS A 53 3.217 7.451 8.471 1.00 1.71 H new ATOM 0 HD3 LYS A 53 3.657 6.828 6.893 1.00 1.71 H new ATOM 0 HE2 LYS A 53 3.220 9.769 7.593 1.00 2.18 H new ATOM 0 HE3 LYS A 53 4.772 8.995 7.340 1.00 2.18 H new ATOM 0 HZ1 LYS A 53 4.263 10.039 5.333 1.00 3.42 H new ATOM 0 HZ2 LYS A 53 3.898 8.405 5.048 1.00 3.42 H new ATOM 0 HZ3 LYS A 53 2.648 9.515 5.344 1.00 3.42 H new ATOM 850 N ASP A 54 -1.607 8.283 10.753 1.00 1.15 N ATOM 851 CA ASP A 54 -2.662 9.017 11.462 1.00 1.02 C ATOM 852 C ASP A 54 -3.519 8.075 12.328 1.00 0.96 C ATOM 853 O ASP A 54 -3.927 8.462 13.420 1.00 1.24 O ATOM 854 CB ASP A 54 -3.592 9.720 10.453 1.00 1.07 C ATOM 855 CG ASP A 54 -4.312 8.725 9.542 1.00 1.45 C ATOM 856 OD1 ASP A 54 -3.662 7.964 8.802 1.00 2.18 O ATOM 857 OD2 ASP A 54 -5.556 8.572 9.564 1.00 2.15 O ATOM 0 H ASP A 54 -1.706 7.278 10.893 1.00 1.15 H new ATOM 0 HA ASP A 54 -2.170 9.748 12.103 1.00 1.02 H new ATOM 0 HB2 ASP A 54 -4.329 10.314 10.993 1.00 1.07 H new ATOM 0 HB3 ASP A 54 -3.009 10.411 9.844 1.00 1.07 H new ATOM 862 N LYS A 55 -3.773 6.846 11.836 1.00 0.82 N ATOM 863 CA LYS A 55 -4.392 5.698 12.515 1.00 0.99 C ATOM 864 C LYS A 55 -5.930 5.651 12.421 1.00 1.07 C ATOM 865 O LYS A 55 -6.520 4.813 13.097 1.00 1.75 O ATOM 866 CB LYS A 55 -3.851 5.548 13.963 1.00 1.25 C ATOM 867 CG LYS A 55 -3.825 4.115 14.539 1.00 2.54 C ATOM 868 CD LYS A 55 -2.516 3.347 14.283 1.00 2.19 C ATOM 869 CE LYS A 55 -2.183 3.155 12.801 1.00 2.47 C ATOM 870 NZ LYS A 55 -3.208 2.349 12.100 1.00 4.63 N ATOM 0 H LYS A 55 -3.529 6.615 10.873 1.00 0.82 H new ATOM 0 HA LYS A 55 -4.083 4.812 11.960 1.00 0.99 H new ATOM 0 HB2 LYS A 55 -2.837 5.947 13.992 1.00 1.25 H new ATOM 0 HB3 LYS A 55 -4.458 6.170 14.621 1.00 1.25 H new ATOM 0 HG2 LYS A 55 -3.997 4.166 15.614 1.00 2.54 H new ATOM 0 HG3 LYS A 55 -4.653 3.550 14.110 1.00 2.54 H new ATOM 0 HD2 LYS A 55 -1.695 3.880 14.763 1.00 2.19 H new ATOM 0 HD3 LYS A 55 -2.582 2.369 14.759 1.00 2.19 H new ATOM 0 HE2 LYS A 55 -2.097 4.129 12.320 1.00 2.47 H new ATOM 0 HE3 LYS A 55 -1.213 2.667 12.708 1.00 2.47 H new ATOM 0 HZ1 LYS A 55 -2.988 2.315 11.084 1.00 4.63 H new ATOM 0 HZ2 LYS A 55 -3.214 1.383 12.486 1.00 4.63 H new ATOM 0 HZ3 LYS A 55 -4.144 2.782 12.237 1.00 4.63 H new ATOM 884 N SER A 56 -6.590 6.459 11.572 1.00 0.54 N ATOM 885 CA SER A 56 -8.060 6.398 11.401 1.00 0.59 C ATOM 886 C SER A 56 -8.599 5.018 10.991 1.00 0.58 C ATOM 887 O SER A 56 -9.746 4.705 11.305 1.00 0.72 O ATOM 888 CB SER A 56 -8.582 7.458 10.413 1.00 0.73 C ATOM 889 OG SER A 56 -8.446 7.046 9.062 1.00 0.98 O ATOM 0 H SER A 56 -6.133 7.163 10.992 1.00 0.54 H new ATOM 0 HA SER A 56 -8.442 6.610 12.400 1.00 0.59 H new ATOM 0 HB2 SER A 56 -9.631 7.663 10.624 1.00 0.73 H new ATOM 0 HB3 SER A 56 -8.038 8.391 10.563 1.00 0.73 H new ATOM 0 HG SER A 56 -9.273 6.610 8.768 1.00 0.98 H new ATOM 895 N GLY A 57 -7.785 4.190 10.320 1.00 0.57 N ATOM 896 CA GLY A 57 -8.162 2.843 9.878 1.00 0.62 C ATOM 897 C GLY A 57 -8.676 2.786 8.436 1.00 0.57 C ATOM 898 O GLY A 57 -9.187 1.750 8.013 1.00 0.65 O ATOM 0 H GLY A 57 -6.830 4.444 10.066 1.00 0.57 H new ATOM 0 HA2 GLY A 57 -7.298 2.185 9.972 1.00 0.62 H new ATOM 0 HA3 GLY A 57 -8.933 2.455 10.544 1.00 0.62 H new ATOM 902 N PHE A 58 -8.530 3.882 7.687 1.00 0.54 N ATOM 903 CA PHE A 58 -8.737 3.984 6.245 1.00 0.64 C ATOM 904 C PHE A 58 -7.606 4.836 5.645 1.00 0.57 C ATOM 905 O PHE A 58 -7.124 5.756 6.311 1.00 0.81 O ATOM 906 CB PHE A 58 -10.126 4.573 5.933 1.00 0.96 C ATOM 907 CG PHE A 58 -11.161 4.485 7.041 1.00 0.54 C ATOM 908 CD1 PHE A 58 -11.856 3.283 7.264 1.00 1.97 C ATOM 909 CD2 PHE A 58 -11.377 5.588 7.888 1.00 1.82 C ATOM 910 CE1 PHE A 58 -12.750 3.176 8.343 1.00 1.79 C ATOM 911 CE2 PHE A 58 -12.267 5.479 8.972 1.00 2.29 C ATOM 912 CZ PHE A 58 -12.951 4.272 9.201 1.00 1.24 C ATOM 0 H PHE A 58 -8.248 4.772 8.097 1.00 0.54 H new ATOM 0 HA PHE A 58 -8.709 2.992 5.793 1.00 0.64 H new ATOM 0 HB2 PHE A 58 -10.000 5.622 5.666 1.00 0.96 H new ATOM 0 HB3 PHE A 58 -10.523 4.065 5.054 1.00 0.96 H new ATOM 0 HD1 PHE A 58 -11.703 2.441 6.605 1.00 1.97 H new ATOM 0 HD2 PHE A 58 -10.859 6.518 7.706 1.00 1.82 H new ATOM 0 HE1 PHE A 58 -13.283 2.252 8.513 1.00 1.79 H new ATOM 0 HE2 PHE A 58 -12.425 6.322 9.628 1.00 2.29 H new ATOM 0 HZ PHE A 58 -13.631 4.187 10.036 1.00 1.24 H new ATOM 922 N ILE A 59 -7.194 4.570 4.397 1.00 0.43 N ATOM 923 CA ILE A 59 -6.226 5.428 3.682 1.00 0.36 C ATOM 924 C ILE A 59 -6.990 6.370 2.740 1.00 0.31 C ATOM 925 O ILE A 59 -7.803 5.923 1.930 1.00 0.36 O ATOM 926 CB ILE A 59 -5.137 4.626 2.929 1.00 0.42 C ATOM 927 CG1 ILE A 59 -4.596 3.437 3.755 1.00 0.94 C ATOM 928 CG2 ILE A 59 -3.955 5.535 2.553 1.00 0.76 C ATOM 929 CD1 ILE A 59 -3.643 2.540 2.961 1.00 1.00 C ATOM 0 H ILE A 59 -7.515 3.766 3.857 1.00 0.43 H new ATOM 0 HA ILE A 59 -5.684 6.013 4.425 1.00 0.36 H new ATOM 0 HB ILE A 59 -5.617 4.233 2.032 1.00 0.42 H new ATOM 0 HG12 ILE A 59 -4.078 3.819 4.635 1.00 0.94 H new ATOM 0 HG13 ILE A 59 -5.434 2.840 4.113 1.00 0.94 H new ATOM 0 HG21 ILE A 59 -3.201 4.952 2.025 1.00 0.76 H new ATOM 0 HG22 ILE A 59 -4.307 6.341 1.909 1.00 0.76 H new ATOM 0 HG23 ILE A 59 -3.518 5.957 3.458 1.00 0.76 H new ATOM 0 HD11 ILE A 59 -3.298 1.724 3.596 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -4.165 2.131 2.096 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -2.787 3.126 2.625 1.00 1.00 H new ATOM 941 N GLU A 60 -6.704 7.667 2.867 1.00 0.37 N ATOM 942 CA GLU A 60 -7.292 8.832 2.198 1.00 0.49 C ATOM 943 C GLU A 60 -6.242 9.484 1.259 1.00 0.35 C ATOM 944 O GLU A 60 -5.048 9.198 1.395 1.00 0.32 O ATOM 945 CB GLU A 60 -7.695 9.883 3.266 1.00 0.90 C ATOM 946 CG GLU A 60 -8.954 9.634 4.123 1.00 1.27 C ATOM 947 CD GLU A 60 -8.823 8.726 5.368 1.00 1.35 C ATOM 948 OE1 GLU A 60 -7.735 8.648 5.980 1.00 1.30 O ATOM 949 OE2 GLU A 60 -9.866 8.161 5.778 1.00 2.30 O ATOM 0 H GLU A 60 -5.972 7.961 3.514 1.00 0.37 H new ATOM 0 HA GLU A 60 -8.161 8.510 1.624 1.00 0.49 H new ATOM 0 HB2 GLU A 60 -6.852 10.001 3.947 1.00 0.90 H new ATOM 0 HB3 GLU A 60 -7.828 10.837 2.755 1.00 0.90 H new ATOM 0 HG2 GLU A 60 -9.327 10.603 4.455 1.00 1.27 H new ATOM 0 HG3 GLU A 60 -9.718 9.203 3.475 1.00 1.27 H new ATOM 956 N GLU A 61 -6.650 10.389 0.345 1.00 0.45 N ATOM 957 CA GLU A 61 -5.752 11.013 -0.654 1.00 0.47 C ATOM 958 C GLU A 61 -4.497 11.677 -0.056 1.00 0.46 C ATOM 959 O GLU A 61 -3.418 11.587 -0.647 1.00 0.46 O ATOM 960 CB GLU A 61 -6.489 11.961 -1.614 1.00 0.59 C ATOM 961 CG GLU A 61 -7.043 13.262 -1.019 1.00 1.38 C ATOM 962 CD GLU A 61 -7.455 14.206 -2.154 1.00 1.71 C ATOM 963 OE1 GLU A 61 -8.609 14.079 -2.623 1.00 2.56 O ATOM 964 OE2 GLU A 61 -6.596 15.013 -2.580 1.00 2.68 O ATOM 0 H GLU A 61 -7.616 10.710 0.278 1.00 0.45 H new ATOM 0 HA GLU A 61 -5.388 10.171 -1.243 1.00 0.47 H new ATOM 0 HB2 GLU A 61 -5.806 12.222 -2.423 1.00 0.59 H new ATOM 0 HB3 GLU A 61 -7.318 11.413 -2.061 1.00 0.59 H new ATOM 0 HG2 GLU A 61 -7.900 13.047 -0.381 1.00 1.38 H new ATOM 0 HG3 GLU A 61 -6.289 13.737 -0.391 1.00 1.38 H new ATOM 971 N ASP A 62 -4.636 12.273 1.134 1.00 0.48 N ATOM 972 CA ASP A 62 -3.605 12.955 1.919 1.00 0.52 C ATOM 973 C ASP A 62 -2.416 12.043 2.242 1.00 0.50 C ATOM 974 O ASP A 62 -1.271 12.484 2.240 1.00 0.77 O ATOM 975 CB ASP A 62 -4.220 13.435 3.248 1.00 0.61 C ATOM 976 CG ASP A 62 -5.571 14.139 3.095 1.00 2.04 C ATOM 977 OD1 ASP A 62 -6.539 13.428 2.732 1.00 3.58 O ATOM 978 OD2 ASP A 62 -5.618 15.361 3.352 1.00 2.75 O ATOM 0 H ASP A 62 -5.540 12.292 1.607 1.00 0.48 H new ATOM 0 HA ASP A 62 -3.240 13.790 1.321 1.00 0.52 H new ATOM 0 HB2 ASP A 62 -4.342 12.577 3.910 1.00 0.61 H new ATOM 0 HB3 ASP A 62 -3.521 14.116 3.734 1.00 0.61 H new ATOM 983 N GLU A 63 -2.695 10.768 2.526 1.00 0.37 N ATOM 984 CA GLU A 63 -1.693 9.717 2.687 1.00 0.38 C ATOM 985 C GLU A 63 -1.282 9.173 1.322 1.00 0.38 C ATOM 986 O GLU A 63 -0.097 9.000 1.061 1.00 0.49 O ATOM 987 CB GLU A 63 -2.289 8.574 3.511 1.00 0.55 C ATOM 988 CG GLU A 63 -2.476 8.937 4.985 1.00 0.68 C ATOM 989 CD GLU A 63 -3.549 8.043 5.598 1.00 1.07 C ATOM 990 OE1 GLU A 63 -3.399 6.807 5.575 1.00 2.63 O ATOM 991 OE2 GLU A 63 -4.576 8.567 6.079 1.00 1.02 O ATOM 0 H GLU A 63 -3.650 10.432 2.653 1.00 0.37 H new ATOM 0 HA GLU A 63 -0.821 10.133 3.191 1.00 0.38 H new ATOM 0 HB2 GLU A 63 -3.252 8.291 3.087 1.00 0.55 H new ATOM 0 HB3 GLU A 63 -1.639 7.702 3.436 1.00 0.55 H new ATOM 0 HG2 GLU A 63 -1.536 8.815 5.522 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -2.763 9.984 5.079 1.00 0.68 H new ATOM 998 N LEU A 64 -2.265 8.899 0.457 1.00 0.37 N ATOM 999 CA LEU A 64 -2.154 8.204 -0.822 1.00 0.42 C ATOM 1000 C LEU A 64 -1.090 8.752 -1.777 1.00 0.44 C ATOM 1001 O LEU A 64 -0.488 7.966 -2.496 1.00 0.55 O ATOM 1002 CB LEU A 64 -3.533 8.244 -1.483 1.00 0.53 C ATOM 1003 CG LEU A 64 -4.069 6.885 -1.908 1.00 0.50 C ATOM 1004 CD1 LEU A 64 -4.428 6.012 -0.716 1.00 1.21 C ATOM 1005 CD2 LEU A 64 -5.324 7.102 -2.735 1.00 1.40 C ATOM 0 H LEU A 64 -3.227 9.179 0.650 1.00 0.37 H new ATOM 0 HA LEU A 64 -1.820 7.188 -0.610 1.00 0.42 H new ATOM 0 HB2 LEU A 64 -4.241 8.699 -0.790 1.00 0.53 H new ATOM 0 HB3 LEU A 64 -3.483 8.891 -2.359 1.00 0.53 H new ATOM 0 HG LEU A 64 -3.290 6.378 -2.477 1.00 0.50 H new ATOM 0 HD11 LEU A 64 -4.806 5.052 -1.069 1.00 1.21 H new ATOM 0 HD12 LEU A 64 -3.541 5.850 -0.104 1.00 1.21 H new ATOM 0 HD13 LEU A 64 -5.195 6.507 -0.120 1.00 1.21 H new ATOM 0 HD21 LEU A 64 -5.724 6.138 -3.050 1.00 1.40 H new ATOM 0 HD22 LEU A 64 -6.069 7.625 -2.136 1.00 1.40 H new ATOM 0 HD23 LEU A 64 -5.082 7.699 -3.614 1.00 1.40 H new ATOM 1017 N GLY A 65 -0.835 10.062 -1.767 1.00 0.41 N ATOM 1018 CA GLY A 65 0.298 10.700 -2.457 1.00 0.45 C ATOM 1019 C GLY A 65 1.682 10.134 -2.083 1.00 0.41 C ATOM 1020 O GLY A 65 2.594 10.128 -2.905 1.00 0.44 O ATOM 0 H GLY A 65 -1.423 10.729 -1.267 1.00 0.41 H new ATOM 0 HA2 GLY A 65 0.156 10.595 -3.533 1.00 0.45 H new ATOM 0 HA3 GLY A 65 0.286 11.767 -2.237 1.00 0.45 H new ATOM 1024 N PHE A 66 1.841 9.620 -0.859 1.00 0.39 N ATOM 1025 CA PHE A 66 3.101 9.104 -0.315 1.00 0.38 C ATOM 1026 C PHE A 66 2.881 7.916 0.650 1.00 0.41 C ATOM 1027 O PHE A 66 3.661 7.694 1.576 1.00 0.48 O ATOM 1028 CB PHE A 66 3.908 10.270 0.288 1.00 0.43 C ATOM 1029 CG PHE A 66 3.137 11.193 1.217 1.00 0.67 C ATOM 1030 CD1 PHE A 66 2.820 10.787 2.526 1.00 1.28 C ATOM 1031 CD2 PHE A 66 2.710 12.453 0.755 1.00 1.99 C ATOM 1032 CE1 PHE A 66 2.089 11.639 3.374 1.00 1.43 C ATOM 1033 CE2 PHE A 66 1.981 13.304 1.601 1.00 2.28 C ATOM 1034 CZ PHE A 66 1.676 12.900 2.911 1.00 1.45 C ATOM 0 H PHE A 66 1.069 9.549 -0.197 1.00 0.39 H new ATOM 0 HA PHE A 66 3.699 8.678 -1.121 1.00 0.38 H new ATOM 0 HB2 PHE A 66 4.754 9.857 0.837 1.00 0.43 H new ATOM 0 HB3 PHE A 66 4.317 10.865 -0.528 1.00 0.43 H new ATOM 0 HD1 PHE A 66 3.139 9.818 2.881 1.00 1.28 H new ATOM 0 HD2 PHE A 66 2.944 12.765 -0.252 1.00 1.99 H new ATOM 0 HE1 PHE A 66 1.846 11.325 4.378 1.00 1.43 H new ATOM 0 HE2 PHE A 66 1.655 14.270 1.244 1.00 2.28 H new ATOM 0 HZ PHE A 66 1.123 13.559 3.564 1.00 1.45 H new ATOM 1044 N ILE A 67 1.848 7.098 0.400 1.00 0.46 N ATOM 1045 CA ILE A 67 1.520 5.821 1.053 1.00 0.44 C ATOM 1046 C ILE A 67 2.759 4.937 1.177 1.00 0.49 C ATOM 1047 O ILE A 67 3.013 4.337 2.224 1.00 0.48 O ATOM 1048 CB ILE A 67 0.339 5.188 0.273 1.00 0.58 C ATOM 1049 CG1 ILE A 67 -0.108 3.820 0.806 1.00 0.98 C ATOM 1050 CG2 ILE A 67 0.547 5.092 -1.247 1.00 1.15 C ATOM 1051 CD1 ILE A 67 0.671 2.627 0.244 1.00 0.65 C ATOM 0 H ILE A 67 1.166 7.330 -0.322 1.00 0.46 H new ATOM 0 HA ILE A 67 1.195 5.963 2.084 1.00 0.44 H new ATOM 0 HB ILE A 67 -0.460 5.907 0.456 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -0.012 3.820 1.892 1.00 0.98 H new ATOM 0 HG13 ILE A 67 -1.166 3.685 0.579 1.00 0.98 H new ATOM 0 HG21 ILE A 67 -0.330 4.637 -1.706 1.00 1.15 H new ATOM 0 HG22 ILE A 67 0.695 6.091 -1.658 1.00 1.15 H new ATOM 0 HG23 ILE A 67 1.425 4.480 -1.456 1.00 1.15 H new ATOM 0 HD11 ILE A 67 0.286 1.704 0.677 1.00 0.65 H new ATOM 0 HD12 ILE A 67 0.556 2.595 -0.839 1.00 0.65 H new ATOM 0 HD13 ILE A 67 1.727 2.732 0.494 1.00 0.65 H new ATOM 1063 N LEU A 68 3.585 4.943 0.130 1.00 0.60 N ATOM 1064 CA LEU A 68 4.840 4.216 0.031 1.00 0.72 C ATOM 1065 C LEU A 68 5.789 4.511 1.203 1.00 0.64 C ATOM 1066 O LEU A 68 6.524 3.621 1.631 1.00 0.66 O ATOM 1067 CB LEU A 68 5.477 4.520 -1.342 1.00 0.92 C ATOM 1068 CG LEU A 68 4.567 4.303 -2.566 1.00 1.34 C ATOM 1069 CD1 LEU A 68 5.358 4.547 -3.852 1.00 1.25 C ATOM 1070 CD2 LEU A 68 3.971 2.901 -2.591 1.00 2.21 C ATOM 0 H LEU A 68 3.382 5.483 -0.711 1.00 0.60 H new ATOM 0 HA LEU A 68 4.639 3.147 0.101 1.00 0.72 H new ATOM 0 HB2 LEU A 68 5.815 5.556 -1.343 1.00 0.92 H new ATOM 0 HB3 LEU A 68 6.363 3.896 -1.456 1.00 0.92 H new ATOM 0 HG LEU A 68 3.744 5.014 -2.494 1.00 1.34 H new ATOM 0 HD11 LEU A 68 4.709 4.392 -4.714 1.00 1.25 H new ATOM 0 HD12 LEU A 68 5.733 5.570 -3.860 1.00 1.25 H new ATOM 0 HD13 LEU A 68 6.197 3.853 -3.900 1.00 1.25 H new ATOM 0 HD21 LEU A 68 3.336 2.791 -3.470 1.00 2.21 H new ATOM 0 HD22 LEU A 68 4.774 2.165 -2.629 1.00 2.21 H new ATOM 0 HD23 LEU A 68 3.376 2.743 -1.692 1.00 2.21 H new ATOM 1082 N LYS A 69 5.729 5.724 1.781 1.00 0.59 N ATOM 1083 CA LYS A 69 6.554 6.175 2.911 1.00 0.65 C ATOM 1084 C LYS A 69 6.219 5.429 4.215 1.00 0.64 C ATOM 1085 O LYS A 69 6.967 5.547 5.182 1.00 0.74 O ATOM 1086 CB LYS A 69 6.422 7.709 3.035 1.00 0.78 C ATOM 1087 CG LYS A 69 7.710 8.490 3.340 1.00 0.57 C ATOM 1088 CD LYS A 69 8.319 8.247 4.724 1.00 1.46 C ATOM 1089 CE LYS A 69 9.366 9.328 5.017 1.00 1.48 C ATOM 1090 NZ LYS A 69 10.018 9.122 6.332 1.00 2.57 N ATOM 0 H LYS A 69 5.080 6.442 1.460 1.00 0.59 H new ATOM 0 HA LYS A 69 7.599 5.931 2.719 1.00 0.65 H new ATOM 0 HB2 LYS A 69 6.005 8.091 2.103 1.00 0.78 H new ATOM 0 HB3 LYS A 69 5.698 7.926 3.821 1.00 0.78 H new ATOM 0 HG2 LYS A 69 8.455 8.236 2.585 1.00 0.57 H new ATOM 0 HG3 LYS A 69 7.501 9.555 3.237 1.00 0.57 H new ATOM 0 HD2 LYS A 69 7.539 8.265 5.485 1.00 1.46 H new ATOM 0 HD3 LYS A 69 8.779 7.260 4.763 1.00 1.46 H new ATOM 0 HE2 LYS A 69 10.122 9.324 4.232 1.00 1.48 H new ATOM 0 HE3 LYS A 69 8.891 10.309 4.997 1.00 1.48 H new ATOM 0 HZ1 LYS A 69 10.719 9.873 6.493 1.00 2.57 H new ATOM 0 HZ2 LYS A 69 9.300 9.151 7.084 1.00 2.57 H new ATOM 0 HZ3 LYS A 69 10.493 8.197 6.343 1.00 2.57 H new ATOM 1104 N GLY A 70 5.132 4.642 4.240 1.00 0.57 N ATOM 1105 CA GLY A 70 4.841 3.677 5.301 1.00 0.59 C ATOM 1106 C GLY A 70 5.289 2.245 4.989 1.00 0.69 C ATOM 1107 O GLY A 70 5.355 1.435 5.910 1.00 1.10 O ATOM 0 H GLY A 70 4.421 4.662 3.509 1.00 0.57 H new ATOM 0 HA2 GLY A 70 5.328 4.006 6.219 1.00 0.59 H new ATOM 0 HA3 GLY A 70 3.768 3.676 5.492 1.00 0.59 H new ATOM 1111 N PHE A 71 5.644 1.923 3.735 1.00 0.58 N ATOM 1112 CA PHE A 71 6.378 0.696 3.423 1.00 0.54 C ATOM 1113 C PHE A 71 7.873 0.860 3.734 1.00 0.52 C ATOM 1114 O PHE A 71 8.473 -0.045 4.317 1.00 0.58 O ATOM 1115 CB PHE A 71 6.155 0.256 1.966 1.00 0.55 C ATOM 1116 CG PHE A 71 4.726 -0.119 1.598 1.00 0.78 C ATOM 1117 CD1 PHE A 71 4.012 -1.078 2.347 1.00 1.60 C ATOM 1118 CD2 PHE A 71 4.136 0.422 0.441 1.00 2.71 C ATOM 1119 CE1 PHE A 71 2.713 -1.459 1.962 1.00 1.58 C ATOM 1120 CE2 PHE A 71 2.832 0.057 0.066 1.00 2.93 C ATOM 1121 CZ PHE A 71 2.116 -0.881 0.828 1.00 1.35 C ATOM 0 H PHE A 71 5.432 2.500 2.921 1.00 0.58 H new ATOM 0 HA PHE A 71 5.985 -0.096 4.061 1.00 0.54 H new ATOM 0 HB2 PHE A 71 6.479 1.063 1.309 1.00 0.55 H new ATOM 0 HB3 PHE A 71 6.799 -0.599 1.762 1.00 0.55 H new ATOM 0 HD1 PHE A 71 4.465 -1.522 3.221 1.00 1.60 H new ATOM 0 HD2 PHE A 71 4.690 1.124 -0.164 1.00 2.71 H new ATOM 0 HE1 PHE A 71 2.174 -2.196 2.538 1.00 1.58 H new ATOM 0 HE2 PHE A 71 2.379 0.498 -0.810 1.00 2.93 H new ATOM 0 HZ PHE A 71 1.111 -1.157 0.544 1.00 1.35 H new ATOM 1131 N SER A 72 8.490 2.000 3.376 1.00 0.48 N ATOM 1132 CA SER A 72 9.889 2.298 3.707 1.00 0.44 C ATOM 1133 C SER A 72 10.309 3.702 3.256 1.00 0.45 C ATOM 1134 O SER A 72 9.521 4.395 2.610 1.00 0.51 O ATOM 1135 CB SER A 72 10.785 1.228 3.067 1.00 0.41 C ATOM 1136 OG SER A 72 11.160 0.333 4.088 1.00 0.84 O ATOM 0 H SER A 72 8.029 2.741 2.848 1.00 0.48 H new ATOM 0 HA SER A 72 9.999 2.280 4.791 1.00 0.44 H new ATOM 0 HB2 SER A 72 10.252 0.705 2.273 1.00 0.41 H new ATOM 0 HB3 SER A 72 11.665 1.684 2.613 1.00 0.41 H new ATOM 0 HG SER A 72 10.358 -0.070 4.481 1.00 0.84 H new ATOM 1142 N PRO A 73 11.541 4.152 3.569 1.00 0.43 N ATOM 1143 CA PRO A 73 12.122 5.312 2.903 1.00 0.44 C ATOM 1144 C PRO A 73 12.409 5.016 1.416 1.00 0.41 C ATOM 1145 O PRO A 73 12.319 3.882 0.952 1.00 0.39 O ATOM 1146 CB PRO A 73 13.376 5.646 3.718 1.00 0.46 C ATOM 1147 CG PRO A 73 13.819 4.290 4.260 1.00 0.47 C ATOM 1148 CD PRO A 73 12.499 3.558 4.495 1.00 0.46 C ATOM 0 HA PRO A 73 11.448 6.168 2.875 1.00 0.44 H new ATOM 0 HB2 PRO A 73 14.148 6.102 3.098 1.00 0.46 H new ATOM 0 HB3 PRO A 73 13.157 6.348 4.523 1.00 0.46 H new ATOM 0 HG2 PRO A 73 14.452 3.760 3.549 1.00 0.47 H new ATOM 0 HG3 PRO A 73 14.392 4.393 5.182 1.00 0.47 H new ATOM 0 HD2 PRO A 73 12.607 2.489 4.312 1.00 0.46 H new ATOM 0 HD3 PRO A 73 12.167 3.673 5.527 1.00 0.46 H new ATOM 1156 N ASP A 74 12.713 6.077 0.661 1.00 0.46 N ATOM 1157 CA ASP A 74 12.867 6.112 -0.814 1.00 0.50 C ATOM 1158 C ASP A 74 11.593 5.712 -1.605 1.00 0.53 C ATOM 1159 O ASP A 74 11.590 5.464 -2.812 1.00 0.81 O ATOM 1160 CB ASP A 74 14.153 5.387 -1.247 1.00 0.72 C ATOM 1161 CG ASP A 74 14.684 5.864 -2.604 1.00 1.53 C ATOM 1162 OD1 ASP A 74 14.413 7.033 -2.979 1.00 2.36 O ATOM 1163 OD2 ASP A 74 15.430 5.091 -3.240 1.00 2.66 O ATOM 0 H ASP A 74 12.869 6.994 1.080 1.00 0.46 H new ATOM 0 HA ASP A 74 12.990 7.158 -1.096 1.00 0.50 H new ATOM 0 HB2 ASP A 74 14.921 5.539 -0.489 1.00 0.72 H new ATOM 0 HB3 ASP A 74 13.960 4.315 -1.295 1.00 0.72 H new ATOM 1168 N ALA A 75 10.475 5.739 -0.884 1.00 0.51 N ATOM 1169 CA ALA A 75 9.088 5.754 -1.313 1.00 0.59 C ATOM 1170 C ALA A 75 8.753 6.832 -2.353 1.00 0.80 C ATOM 1171 O ALA A 75 8.223 6.529 -3.417 1.00 1.78 O ATOM 1172 CB ALA A 75 8.325 6.030 -0.022 1.00 0.55 C ATOM 0 H ALA A 75 10.532 5.752 0.134 1.00 0.51 H new ATOM 0 HA ALA A 75 8.834 4.818 -1.811 1.00 0.59 H new ATOM 0 HB1 ALA A 75 7.256 6.063 -0.231 1.00 0.55 H new ATOM 0 HB2 ALA A 75 8.530 5.238 0.698 1.00 0.55 H new ATOM 0 HB3 ALA A 75 8.643 6.987 0.391 1.00 0.55 H new ATOM 1178 N ARG A 76 9.065 8.090 -2.007 1.00 0.49 N ATOM 1179 CA ARG A 76 8.773 9.324 -2.758 1.00 0.47 C ATOM 1180 C ARG A 76 7.269 9.627 -2.863 1.00 0.46 C ATOM 1181 O ARG A 76 6.426 8.937 -2.292 1.00 0.64 O ATOM 1182 CB ARG A 76 9.503 9.326 -4.125 1.00 0.58 C ATOM 1183 CG ARG A 76 10.939 8.807 -3.973 1.00 0.72 C ATOM 1184 CD ARG A 76 11.893 9.170 -5.110 1.00 0.92 C ATOM 1185 NE ARG A 76 13.267 8.786 -4.735 1.00 1.59 N ATOM 1186 CZ ARG A 76 14.409 9.398 -5.002 1.00 2.03 C ATOM 1187 NH1 ARG A 76 14.487 10.446 -5.789 1.00 2.39 N ATOM 1188 NH2 ARG A 76 15.499 8.941 -4.445 1.00 2.84 N ATOM 0 H ARG A 76 9.561 8.287 -1.138 1.00 0.49 H new ATOM 0 HA ARG A 76 9.176 10.158 -2.183 1.00 0.47 H new ATOM 0 HB2 ARG A 76 8.959 8.703 -4.835 1.00 0.58 H new ATOM 0 HB3 ARG A 76 9.517 10.336 -4.534 1.00 0.58 H new ATOM 0 HG2 ARG A 76 11.350 9.193 -3.040 1.00 0.72 H new ATOM 0 HG3 ARG A 76 10.907 7.721 -3.882 1.00 0.72 H new ATOM 0 HD2 ARG A 76 11.597 8.658 -6.026 1.00 0.92 H new ATOM 0 HD3 ARG A 76 11.845 10.240 -5.313 1.00 0.92 H new ATOM 0 HE ARG A 76 13.348 7.926 -4.193 1.00 1.59 H new ATOM 0 HH11 ARG A 76 13.644 10.821 -6.224 1.00 2.39 H new ATOM 0 HH12 ARG A 76 15.391 10.885 -5.966 1.00 2.39 H new ATOM 0 HH21 ARG A 76 15.454 8.133 -3.824 1.00 2.84 H new ATOM 0 HH22 ARG A 76 16.395 9.392 -4.632 1.00 2.84 H new ATOM 1202 N ASP A 77 6.966 10.732 -3.542 1.00 0.44 N ATOM 1203 CA ASP A 77 5.620 11.202 -3.858 1.00 0.42 C ATOM 1204 C ASP A 77 5.251 10.684 -5.258 1.00 0.49 C ATOM 1205 O ASP A 77 5.892 11.061 -6.242 1.00 0.65 O ATOM 1206 CB ASP A 77 5.614 12.738 -3.763 1.00 0.54 C ATOM 1207 CG ASP A 77 4.205 13.333 -3.689 1.00 2.27 C ATOM 1208 OD1 ASP A 77 3.541 13.085 -2.657 1.00 3.72 O ATOM 1209 OD2 ASP A 77 3.843 14.081 -4.621 1.00 3.21 O ATOM 0 H ASP A 77 7.689 11.354 -3.904 1.00 0.44 H new ATOM 0 HA ASP A 77 4.872 10.827 -3.160 1.00 0.42 H new ATOM 0 HB2 ASP A 77 6.177 13.043 -2.881 1.00 0.54 H new ATOM 0 HB3 ASP A 77 6.131 13.151 -4.629 1.00 0.54 H new ATOM 1214 N LEU A 78 4.299 9.744 -5.342 1.00 0.55 N ATOM 1215 CA LEU A 78 3.835 9.200 -6.630 1.00 0.79 C ATOM 1216 C LEU A 78 3.021 10.220 -7.454 1.00 0.57 C ATOM 1217 O LEU A 78 2.650 11.296 -6.987 1.00 0.58 O ATOM 1218 CB LEU A 78 3.104 7.839 -6.497 1.00 1.29 C ATOM 1219 CG LEU A 78 1.941 7.656 -5.499 1.00 1.22 C ATOM 1220 CD1 LEU A 78 2.471 7.209 -4.138 1.00 1.72 C ATOM 1221 CD2 LEU A 78 0.995 8.853 -5.442 1.00 3.78 C ATOM 0 H LEU A 78 3.832 9.342 -4.529 1.00 0.55 H new ATOM 0 HA LEU A 78 4.744 8.997 -7.196 1.00 0.79 H new ATOM 0 HB2 LEU A 78 2.720 7.585 -7.485 1.00 1.29 H new ATOM 0 HB3 LEU A 78 3.859 7.094 -6.247 1.00 1.29 H new ATOM 0 HG LEU A 78 1.307 6.851 -5.871 1.00 1.22 H new ATOM 0 HD11 LEU A 78 1.638 7.085 -3.446 1.00 1.72 H new ATOM 0 HD12 LEU A 78 2.998 6.261 -4.246 1.00 1.72 H new ATOM 0 HD13 LEU A 78 3.156 7.962 -3.749 1.00 1.72 H new ATOM 0 HD21 LEU A 78 0.202 8.656 -4.721 1.00 3.78 H new ATOM 0 HD22 LEU A 78 1.549 9.741 -5.138 1.00 3.78 H new ATOM 0 HD23 LEU A 78 0.557 9.018 -6.427 1.00 3.78 H new ATOM 1233 N SER A 79 2.720 9.863 -8.708 1.00 0.49 N ATOM 1234 CA SER A 79 1.963 10.714 -9.629 1.00 0.42 C ATOM 1235 C SER A 79 0.546 11.022 -9.133 1.00 0.38 C ATOM 1236 O SER A 79 -0.146 10.161 -8.591 1.00 0.39 O ATOM 1237 CB SER A 79 1.900 10.042 -11.002 1.00 0.44 C ATOM 1238 OG SER A 79 1.157 10.828 -11.911 1.00 1.17 O ATOM 0 H SER A 79 2.997 8.969 -9.113 1.00 0.49 H new ATOM 0 HA SER A 79 2.486 11.668 -9.693 1.00 0.42 H new ATOM 0 HB2 SER A 79 2.909 9.891 -11.385 1.00 0.44 H new ATOM 0 HB3 SER A 79 1.444 9.056 -10.909 1.00 0.44 H new ATOM 0 HG SER A 79 1.130 10.382 -12.783 1.00 1.17 H new ATOM 1244 N ALA A 80 0.062 12.229 -9.448 1.00 0.45 N ATOM 1245 CA ALA A 80 -1.326 12.641 -9.253 1.00 0.56 C ATOM 1246 C ALA A 80 -2.336 11.690 -9.922 1.00 0.56 C ATOM 1247 O ALA A 80 -3.441 11.497 -9.414 1.00 0.69 O ATOM 1248 CB ALA A 80 -1.479 14.056 -9.812 1.00 0.67 C ATOM 0 H ALA A 80 0.642 12.962 -9.856 1.00 0.45 H new ATOM 0 HA ALA A 80 -1.548 12.611 -8.186 1.00 0.56 H new ATOM 0 HB1 ALA A 80 -2.508 14.390 -9.680 1.00 0.67 H new ATOM 0 HB2 ALA A 80 -0.807 14.731 -9.282 1.00 0.67 H new ATOM 0 HB3 ALA A 80 -1.231 14.057 -10.873 1.00 0.67 H new ATOM 1254 N LYS A 81 -1.945 11.066 -11.044 1.00 0.49 N ATOM 1255 CA LYS A 81 -2.727 10.016 -11.710 1.00 0.55 C ATOM 1256 C LYS A 81 -2.842 8.767 -10.843 1.00 0.65 C ATOM 1257 O LYS A 81 -3.922 8.184 -10.738 1.00 0.77 O ATOM 1258 CB LYS A 81 -2.072 9.607 -13.033 1.00 0.57 C ATOM 1259 CG LYS A 81 -1.730 10.779 -13.961 1.00 0.49 C ATOM 1260 CD LYS A 81 -1.637 10.327 -15.422 1.00 1.95 C ATOM 1261 CE LYS A 81 -3.034 10.038 -15.986 1.00 2.80 C ATOM 1262 NZ LYS A 81 -2.949 9.284 -17.254 1.00 4.58 N ATOM 0 H LYS A 81 -1.068 11.279 -11.518 1.00 0.49 H new ATOM 0 HA LYS A 81 -3.719 10.432 -11.888 1.00 0.55 H new ATOM 0 HB2 LYS A 81 -1.159 9.053 -12.816 1.00 0.57 H new ATOM 0 HB3 LYS A 81 -2.740 8.926 -13.560 1.00 0.57 H new ATOM 0 HG2 LYS A 81 -2.491 11.554 -13.866 1.00 0.49 H new ATOM 0 HG3 LYS A 81 -0.783 11.223 -13.655 1.00 0.49 H new ATOM 0 HD2 LYS A 81 -1.151 11.100 -16.017 1.00 1.95 H new ATOM 0 HD3 LYS A 81 -1.018 9.433 -15.493 1.00 1.95 H new ATOM 0 HE2 LYS A 81 -3.613 9.469 -15.259 1.00 2.80 H new ATOM 0 HE3 LYS A 81 -3.564 10.976 -16.152 1.00 2.80 H new ATOM 0 HZ1 LYS A 81 -3.907 9.102 -17.614 1.00 4.58 H new ATOM 0 HZ2 LYS A 81 -2.416 9.840 -17.953 1.00 4.58 H new ATOM 0 HZ3 LYS A 81 -2.463 8.379 -17.088 1.00 4.58 H new ATOM 1276 N GLU A 82 -1.723 8.406 -10.209 1.00 0.61 N ATOM 1277 CA GLU A 82 -1.582 7.206 -9.411 1.00 0.54 C ATOM 1278 C GLU A 82 -2.543 7.284 -8.236 1.00 0.51 C ATOM 1279 O GLU A 82 -3.472 6.491 -8.209 1.00 0.52 O ATOM 1280 CB GLU A 82 -0.118 7.024 -8.993 1.00 0.52 C ATOM 1281 CG GLU A 82 0.168 5.558 -8.668 1.00 0.76 C ATOM 1282 CD GLU A 82 1.659 5.288 -8.439 1.00 1.54 C ATOM 1283 OE1 GLU A 82 2.470 5.852 -9.214 1.00 2.87 O ATOM 1284 OE2 GLU A 82 1.966 4.513 -7.507 1.00 2.20 O ATOM 0 H GLU A 82 -0.870 8.964 -10.244 1.00 0.61 H new ATOM 0 HA GLU A 82 -1.844 6.319 -9.987 1.00 0.54 H new ATOM 0 HB2 GLU A 82 0.540 7.360 -9.795 1.00 0.52 H new ATOM 0 HB3 GLU A 82 0.098 7.644 -8.123 1.00 0.52 H new ATOM 0 HG2 GLU A 82 -0.391 5.271 -7.777 1.00 0.76 H new ATOM 0 HG3 GLU A 82 -0.190 4.931 -9.485 1.00 0.76 H new ATOM 1291 N THR A 83 -2.412 8.280 -7.346 1.00 0.57 N ATOM 1292 CA THR A 83 -3.355 8.494 -6.228 1.00 0.58 C ATOM 1293 C THR A 83 -4.827 8.432 -6.676 1.00 0.58 C ATOM 1294 O THR A 83 -5.612 7.713 -6.058 1.00 0.53 O ATOM 1295 CB THR A 83 -3.022 9.757 -5.406 1.00 0.81 C ATOM 1296 OG1 THR A 83 -4.069 10.055 -4.516 1.00 2.22 O ATOM 1297 CG2 THR A 83 -2.784 11.028 -6.215 1.00 1.62 C ATOM 0 H THR A 83 -1.653 8.960 -7.378 1.00 0.57 H new ATOM 0 HA THR A 83 -3.220 7.655 -5.546 1.00 0.58 H new ATOM 0 HB THR A 83 -2.089 9.494 -4.907 1.00 0.81 H new ATOM 0 HG1 THR A 83 -3.842 10.857 -4.001 1.00 2.22 H new ATOM 0 HG21 THR A 83 -2.558 11.853 -5.539 1.00 1.62 H new ATOM 0 HG22 THR A 83 -1.945 10.875 -6.894 1.00 1.62 H new ATOM 0 HG23 THR A 83 -3.678 11.265 -6.791 1.00 1.62 H new ATOM 1305 N LYS A 84 -5.191 9.065 -7.805 1.00 0.62 N ATOM 1306 CA LYS A 84 -6.531 8.971 -8.409 1.00 0.64 C ATOM 1307 C LYS A 84 -6.995 7.523 -8.638 1.00 0.62 C ATOM 1308 O LYS A 84 -8.062 7.137 -8.162 1.00 0.66 O ATOM 1309 CB LYS A 84 -6.582 9.778 -9.723 1.00 0.67 C ATOM 1310 CG LYS A 84 -7.607 10.914 -9.647 1.00 1.38 C ATOM 1311 CD LYS A 84 -7.730 11.621 -11.003 1.00 1.37 C ATOM 1312 CE LYS A 84 -8.804 12.708 -10.918 1.00 2.21 C ATOM 1313 NZ LYS A 84 -9.019 13.362 -12.231 1.00 2.05 N ATOM 0 H LYS A 84 -4.554 9.664 -8.330 1.00 0.62 H new ATOM 0 HA LYS A 84 -7.229 9.402 -7.692 1.00 0.64 H new ATOM 0 HB2 LYS A 84 -5.596 10.191 -9.936 1.00 0.67 H new ATOM 0 HB3 LYS A 84 -6.835 9.114 -10.549 1.00 0.67 H new ATOM 0 HG2 LYS A 84 -8.577 10.517 -9.349 1.00 1.38 H new ATOM 0 HG3 LYS A 84 -7.307 11.631 -8.883 1.00 1.38 H new ATOM 0 HD2 LYS A 84 -6.773 12.062 -11.283 1.00 1.37 H new ATOM 0 HD3 LYS A 84 -7.988 10.900 -11.779 1.00 1.37 H new ATOM 0 HE2 LYS A 84 -9.740 12.270 -10.571 1.00 2.21 H new ATOM 0 HE3 LYS A 84 -8.509 13.456 -10.182 1.00 2.21 H new ATOM 0 HZ1 LYS A 84 -9.753 14.093 -12.139 1.00 2.05 H new ATOM 0 HZ2 LYS A 84 -8.131 13.800 -12.550 1.00 2.05 H new ATOM 0 HZ3 LYS A 84 -9.324 12.652 -12.927 1.00 2.05 H new ATOM 1327 N MET A 85 -6.224 6.736 -9.395 1.00 0.57 N ATOM 1328 CA MET A 85 -6.580 5.352 -9.743 1.00 0.55 C ATOM 1329 C MET A 85 -6.433 4.402 -8.539 1.00 0.48 C ATOM 1330 O MET A 85 -7.317 3.590 -8.275 1.00 0.57 O ATOM 1331 CB MET A 85 -5.724 4.921 -10.948 1.00 0.62 C ATOM 1332 CG MET A 85 -6.359 3.807 -11.786 1.00 1.20 C ATOM 1333 SD MET A 85 -6.295 2.142 -11.073 1.00 3.35 S ATOM 1334 CE MET A 85 -5.667 1.220 -12.500 1.00 3.68 C ATOM 0 H MET A 85 -5.332 7.040 -9.786 1.00 0.57 H new ATOM 0 HA MET A 85 -7.633 5.300 -10.020 1.00 0.55 H new ATOM 0 HB2 MET A 85 -5.547 5.787 -11.585 1.00 0.62 H new ATOM 0 HB3 MET A 85 -4.751 4.585 -10.590 1.00 0.62 H new ATOM 0 HG2 MET A 85 -7.403 4.064 -11.965 1.00 1.20 H new ATOM 0 HG3 MET A 85 -5.865 3.784 -12.758 1.00 1.20 H new ATOM 0 HE1 MET A 85 -5.565 0.167 -12.237 1.00 3.68 H new ATOM 0 HE2 MET A 85 -6.363 1.320 -13.333 1.00 3.68 H new ATOM 0 HE3 MET A 85 -4.694 1.617 -12.790 1.00 3.68 H new ATOM 1344 N LEU A 86 -5.352 4.564 -7.769 1.00 0.40 N ATOM 1345 CA LEU A 86 -5.011 3.876 -6.523 1.00 0.46 C ATOM 1346 C LEU A 86 -6.161 3.973 -5.516 1.00 0.49 C ATOM 1347 O LEU A 86 -6.551 2.950 -4.957 1.00 0.59 O ATOM 1348 CB LEU A 86 -3.701 4.500 -5.997 1.00 0.51 C ATOM 1349 CG LEU A 86 -2.865 3.706 -4.992 1.00 0.87 C ATOM 1350 CD1 LEU A 86 -1.599 4.500 -4.650 1.00 2.69 C ATOM 1351 CD2 LEU A 86 -3.576 3.338 -3.698 1.00 1.80 C ATOM 0 H LEU A 86 -4.632 5.239 -8.026 1.00 0.40 H new ATOM 0 HA LEU A 86 -4.857 2.810 -6.690 1.00 0.46 H new ATOM 0 HB2 LEU A 86 -3.068 4.715 -6.858 1.00 0.51 H new ATOM 0 HB3 LEU A 86 -3.951 5.456 -5.538 1.00 0.51 H new ATOM 0 HG LEU A 86 -2.642 2.761 -5.487 1.00 0.87 H new ATOM 0 HD11 LEU A 86 -1.000 3.938 -3.934 1.00 2.69 H new ATOM 0 HD12 LEU A 86 -1.018 4.667 -5.557 1.00 2.69 H new ATOM 0 HD13 LEU A 86 -1.878 5.460 -4.216 1.00 2.69 H new ATOM 0 HD21 LEU A 86 -2.896 2.778 -3.056 1.00 1.80 H new ATOM 0 HD22 LEU A 86 -3.893 4.247 -3.186 1.00 1.80 H new ATOM 0 HD23 LEU A 86 -4.449 2.726 -3.924 1.00 1.80 H new ATOM 1363 N MET A 87 -6.742 5.170 -5.333 1.00 0.47 N ATOM 1364 CA MET A 87 -7.952 5.389 -4.536 1.00 0.53 C ATOM 1365 C MET A 87 -9.055 4.424 -4.976 1.00 0.61 C ATOM 1366 O MET A 87 -9.435 3.552 -4.201 1.00 0.79 O ATOM 1367 CB MET A 87 -8.397 6.859 -4.644 1.00 0.57 C ATOM 1368 CG MET A 87 -9.585 7.209 -3.739 1.00 1.21 C ATOM 1369 SD MET A 87 -10.445 8.743 -4.199 1.00 1.57 S ATOM 1370 CE MET A 87 -9.088 9.944 -4.130 1.00 2.72 C ATOM 0 H MET A 87 -6.373 6.027 -5.745 1.00 0.47 H new ATOM 0 HA MET A 87 -7.738 5.186 -3.487 1.00 0.53 H new ATOM 0 HB2 MET A 87 -7.556 7.504 -4.391 1.00 0.57 H new ATOM 0 HB3 MET A 87 -8.664 7.074 -5.679 1.00 0.57 H new ATOM 0 HG2 MET A 87 -10.299 6.385 -3.760 1.00 1.21 H new ATOM 0 HG3 MET A 87 -9.231 7.298 -2.712 1.00 1.21 H new ATOM 0 HE1 MET A 87 -9.497 10.953 -4.088 1.00 2.72 H new ATOM 0 HE2 MET A 87 -8.484 9.760 -3.242 1.00 2.72 H new ATOM 0 HE3 MET A 87 -8.466 9.842 -5.019 1.00 2.72 H new ATOM 1380 N ALA A 88 -9.528 4.555 -6.220 1.00 0.58 N ATOM 1381 CA ALA A 88 -10.623 3.759 -6.770 1.00 0.67 C ATOM 1382 C ALA A 88 -10.354 2.243 -6.750 1.00 0.65 C ATOM 1383 O ALA A 88 -11.259 1.470 -6.449 1.00 0.74 O ATOM 1384 CB ALA A 88 -10.902 4.261 -8.192 1.00 0.73 C ATOM 0 H ALA A 88 -9.151 5.232 -6.883 1.00 0.58 H new ATOM 0 HA ALA A 88 -11.499 3.892 -6.135 1.00 0.67 H new ATOM 0 HB1 ALA A 88 -11.717 3.683 -8.628 1.00 0.73 H new ATOM 0 HB2 ALA A 88 -11.181 5.314 -8.158 1.00 0.73 H new ATOM 0 HB3 ALA A 88 -10.006 4.143 -8.802 1.00 0.73 H new ATOM 1390 N ALA A 89 -9.126 1.808 -7.062 1.00 0.62 N ATOM 1391 CA ALA A 89 -8.754 0.393 -7.067 1.00 0.65 C ATOM 1392 C ALA A 89 -8.585 -0.193 -5.655 1.00 0.61 C ATOM 1393 O ALA A 89 -9.051 -1.302 -5.402 1.00 0.67 O ATOM 1394 CB ALA A 89 -7.477 0.225 -7.897 1.00 0.78 C ATOM 0 H ALA A 89 -8.362 2.433 -7.319 1.00 0.62 H new ATOM 0 HA ALA A 89 -9.571 -0.172 -7.517 1.00 0.65 H new ATOM 0 HB1 ALA A 89 -7.187 -0.826 -7.910 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -7.659 0.564 -8.917 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -6.675 0.817 -7.455 1.00 0.78 H new ATOM 1400 N GLY A 90 -7.927 0.526 -4.734 1.00 0.62 N ATOM 1401 CA GLY A 90 -7.714 0.075 -3.358 1.00 0.64 C ATOM 1402 C GLY A 90 -8.994 0.124 -2.519 1.00 0.56 C ATOM 1403 O GLY A 90 -9.241 -0.771 -1.708 1.00 0.68 O ATOM 0 H GLY A 90 -7.526 1.444 -4.928 1.00 0.62 H new ATOM 0 HA2 GLY A 90 -7.330 -0.945 -3.369 1.00 0.64 H new ATOM 0 HA3 GLY A 90 -6.952 0.698 -2.889 1.00 0.64 H new ATOM 1407 N ASP A 91 -9.841 1.134 -2.740 1.00 0.46 N ATOM 1408 CA ASP A 91 -11.208 1.203 -2.229 1.00 0.46 C ATOM 1409 C ASP A 91 -12.151 0.225 -2.964 1.00 0.50 C ATOM 1410 O ASP A 91 -13.131 0.600 -3.606 1.00 0.52 O ATOM 1411 CB ASP A 91 -11.711 2.638 -2.315 1.00 0.55 C ATOM 1412 CG ASP A 91 -13.158 2.695 -1.870 1.00 0.78 C ATOM 1413 OD1 ASP A 91 -13.500 2.136 -0.795 1.00 0.78 O ATOM 1414 OD2 ASP A 91 -13.954 3.269 -2.637 1.00 1.29 O ATOM 0 H ASP A 91 -9.584 1.949 -3.296 1.00 0.46 H new ATOM 0 HA ASP A 91 -11.202 0.893 -1.184 1.00 0.46 H new ATOM 0 HB2 ASP A 91 -11.101 3.287 -1.687 1.00 0.55 H new ATOM 0 HB3 ASP A 91 -11.619 3.006 -3.337 1.00 0.55 H new ATOM 1419 N LYS A 92 -11.906 -1.076 -2.835 1.00 0.65 N ATOM 1420 CA LYS A 92 -12.737 -2.079 -3.512 1.00 0.73 C ATOM 1421 C LYS A 92 -14.159 -2.271 -2.962 1.00 0.69 C ATOM 1422 O LYS A 92 -14.893 -3.118 -3.463 1.00 0.98 O ATOM 1423 CB LYS A 92 -11.971 -3.383 -3.606 1.00 0.86 C ATOM 1424 CG LYS A 92 -11.613 -4.021 -2.255 1.00 2.46 C ATOM 1425 CD LYS A 92 -12.034 -5.497 -2.176 1.00 3.62 C ATOM 1426 CE LYS A 92 -13.493 -5.596 -1.713 1.00 5.31 C ATOM 1427 NZ LYS A 92 -13.913 -7.007 -1.562 1.00 6.43 N ATOM 0 H LYS A 92 -11.147 -1.463 -2.274 1.00 0.65 H new ATOM 0 HA LYS A 92 -12.929 -1.681 -4.508 1.00 0.73 H new ATOM 0 HB2 LYS A 92 -12.563 -4.094 -4.182 1.00 0.86 H new ATOM 0 HB3 LYS A 92 -11.051 -3.208 -4.164 1.00 0.86 H new ATOM 0 HG2 LYS A 92 -10.538 -3.943 -2.093 1.00 2.46 H new ATOM 0 HG3 LYS A 92 -12.098 -3.464 -1.453 1.00 2.46 H new ATOM 0 HD2 LYS A 92 -11.919 -5.970 -3.151 1.00 3.62 H new ATOM 0 HD3 LYS A 92 -11.386 -6.033 -1.483 1.00 3.62 H new ATOM 0 HE2 LYS A 92 -13.612 -5.075 -0.763 1.00 5.31 H new ATOM 0 HE3 LYS A 92 -14.140 -5.096 -2.434 1.00 5.31 H new ATOM 0 HZ1 LYS A 92 -14.904 -7.043 -1.248 1.00 6.43 H new ATOM 0 HZ2 LYS A 92 -13.821 -7.496 -2.475 1.00 6.43 H new ATOM 0 HZ3 LYS A 92 -13.309 -7.475 -0.856 1.00 6.43 H new ATOM 1441 N ASP A 93 -14.547 -1.485 -1.957 1.00 0.54 N ATOM 1442 CA ASP A 93 -15.926 -1.395 -1.468 1.00 0.58 C ATOM 1443 C ASP A 93 -16.710 -0.216 -2.064 1.00 0.59 C ATOM 1444 O ASP A 93 -17.938 -0.250 -2.037 1.00 0.79 O ATOM 1445 CB ASP A 93 -15.915 -1.208 0.050 1.00 0.90 C ATOM 1446 CG ASP A 93 -15.438 -2.419 0.847 1.00 0.90 C ATOM 1447 OD1 ASP A 93 -15.345 -3.540 0.295 1.00 1.64 O ATOM 1448 OD2 ASP A 93 -15.120 -2.147 2.024 1.00 1.36 O ATOM 0 H ASP A 93 -13.900 -0.881 -1.450 1.00 0.54 H new ATOM 0 HA ASP A 93 -16.415 -2.321 -1.771 1.00 0.58 H new ATOM 0 HB2 ASP A 93 -15.276 -0.359 0.291 1.00 0.90 H new ATOM 0 HB3 ASP A 93 -16.923 -0.951 0.376 1.00 0.90 H new ATOM 1453 N GLY A 94 -16.038 0.831 -2.568 1.00 0.55 N ATOM 1454 CA GLY A 94 -16.699 2.072 -2.984 1.00 0.68 C ATOM 1455 C GLY A 94 -16.888 3.120 -1.871 1.00 0.70 C ATOM 1456 O GLY A 94 -17.774 3.963 -1.999 1.00 0.87 O ATOM 0 H GLY A 94 -15.026 0.839 -2.697 1.00 0.55 H new ATOM 0 HA2 GLY A 94 -16.118 2.522 -3.789 1.00 0.68 H new ATOM 0 HA3 GLY A 94 -17.677 1.823 -3.396 1.00 0.68 H new ATOM 1460 N ASP A 95 -16.090 3.096 -0.787 1.00 0.61 N ATOM 1461 CA ASP A 95 -16.124 4.154 0.264 1.00 0.67 C ATOM 1462 C ASP A 95 -15.270 5.410 -0.033 1.00 0.72 C ATOM 1463 O ASP A 95 -15.295 6.385 0.719 1.00 0.94 O ATOM 1464 CB ASP A 95 -15.593 3.634 1.606 1.00 0.73 C ATOM 1465 CG ASP A 95 -16.282 2.386 2.126 1.00 0.97 C ATOM 1466 OD1 ASP A 95 -17.485 2.442 2.439 1.00 1.87 O ATOM 1467 OD2 ASP A 95 -15.524 1.393 2.264 1.00 1.03 O ATOM 0 H ASP A 95 -15.409 2.358 -0.608 1.00 0.61 H new ATOM 0 HA ASP A 95 -17.179 4.425 0.289 1.00 0.67 H new ATOM 0 HB2 ASP A 95 -14.528 3.427 1.503 1.00 0.73 H new ATOM 0 HB3 ASP A 95 -15.694 4.424 2.350 1.00 0.73 H new ATOM 1472 N GLY A 96 -14.427 5.344 -1.061 1.00 0.70 N ATOM 1473 CA GLY A 96 -13.320 6.232 -1.406 1.00 0.74 C ATOM 1474 C GLY A 96 -12.049 6.110 -0.553 1.00 0.60 C ATOM 1475 O GLY A 96 -11.141 6.916 -0.741 1.00 0.78 O ATOM 0 H GLY A 96 -14.512 4.590 -1.742 1.00 0.70 H new ATOM 0 HA2 GLY A 96 -13.050 6.052 -2.447 1.00 0.74 H new ATOM 0 HA3 GLY A 96 -13.676 7.260 -1.342 1.00 0.74 H new ATOM 1479 N LYS A 97 -11.945 5.115 0.346 1.00 0.42 N ATOM 1480 CA LYS A 97 -10.742 4.824 1.149 1.00 0.39 C ATOM 1481 C LYS A 97 -10.418 3.325 1.198 1.00 0.31 C ATOM 1482 O LYS A 97 -11.313 2.474 1.288 1.00 0.37 O ATOM 1483 CB LYS A 97 -10.923 5.309 2.585 1.00 0.53 C ATOM 1484 CG LYS A 97 -10.982 6.835 2.717 1.00 0.67 C ATOM 1485 CD LYS A 97 -12.352 7.348 3.168 1.00 0.81 C ATOM 1486 CE LYS A 97 -12.588 6.967 4.633 1.00 1.62 C ATOM 1487 NZ LYS A 97 -13.966 7.286 5.061 1.00 2.27 N ATOM 0 H LYS A 97 -12.715 4.474 0.540 1.00 0.42 H new ATOM 0 HA LYS A 97 -9.920 5.349 0.662 1.00 0.39 H new ATOM 0 HB2 LYS A 97 -11.840 4.882 2.990 1.00 0.53 H new ATOM 0 HB3 LYS A 97 -10.100 4.932 3.193 1.00 0.53 H new ATOM 0 HG2 LYS A 97 -10.226 7.161 3.431 1.00 0.67 H new ATOM 0 HG3 LYS A 97 -10.730 7.286 1.757 1.00 0.67 H new ATOM 0 HD2 LYS A 97 -12.403 8.431 3.051 1.00 0.81 H new ATOM 0 HD3 LYS A 97 -13.135 6.923 2.541 1.00 0.81 H new ATOM 0 HE2 LYS A 97 -12.402 5.901 4.767 1.00 1.62 H new ATOM 0 HE3 LYS A 97 -11.877 7.497 5.267 1.00 1.62 H new ATOM 0 HZ1 LYS A 97 -14.091 7.015 6.057 1.00 2.27 H new ATOM 0 HZ2 LYS A 97 -14.135 8.307 4.956 1.00 2.27 H new ATOM 0 HZ3 LYS A 97 -14.643 6.761 4.472 1.00 2.27 H new ATOM 1501 N ILE A 98 -9.116 3.029 1.237 1.00 0.26 N ATOM 1502 CA ILE A 98 -8.529 1.684 1.355 1.00 0.27 C ATOM 1503 C ILE A 98 -8.814 1.114 2.748 1.00 0.34 C ATOM 1504 O ILE A 98 -8.663 1.839 3.733 1.00 0.45 O ATOM 1505 CB ILE A 98 -6.999 1.769 1.115 1.00 0.31 C ATOM 1506 CG1 ILE A 98 -6.766 2.427 -0.270 1.00 0.71 C ATOM 1507 CG2 ILE A 98 -6.263 0.418 1.216 1.00 0.38 C ATOM 1508 CD1 ILE A 98 -5.372 2.280 -0.879 1.00 0.52 C ATOM 0 H ILE A 98 -8.403 3.756 1.185 1.00 0.26 H new ATOM 0 HA ILE A 98 -8.973 1.025 0.609 1.00 0.27 H new ATOM 0 HB ILE A 98 -6.572 2.372 1.916 1.00 0.31 H new ATOM 0 HG12 ILE A 98 -7.488 2.008 -0.971 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -6.987 3.491 -0.182 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -5.199 0.569 1.035 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -6.406 -0.000 2.212 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -6.664 -0.271 0.472 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -5.342 2.784 -1.845 1.00 0.52 H new ATOM 0 HD12 ILE A 98 -4.635 2.728 -0.213 1.00 0.52 H new ATOM 0 HD13 ILE A 98 -5.144 1.223 -1.014 1.00 0.52 H new ATOM 1520 N GLY A 99 -9.152 -0.180 2.825 1.00 0.50 N ATOM 1521 CA GLY A 99 -9.216 -0.955 4.070 1.00 0.50 C ATOM 1522 C GLY A 99 -8.317 -2.193 4.068 1.00 0.47 C ATOM 1523 O GLY A 99 -7.866 -2.658 3.022 1.00 0.68 O ATOM 0 H GLY A 99 -9.395 -0.731 2.001 1.00 0.50 H new ATOM 0 HA2 GLY A 99 -8.933 -0.312 4.903 1.00 0.50 H new ATOM 0 HA3 GLY A 99 -10.247 -1.265 4.243 1.00 0.50 H new ATOM 1527 N VAL A 100 -8.099 -2.743 5.268 1.00 0.47 N ATOM 1528 CA VAL A 100 -7.166 -3.838 5.575 1.00 0.49 C ATOM 1529 C VAL A 100 -7.426 -5.145 4.809 1.00 0.51 C ATOM 1530 O VAL A 100 -6.513 -5.720 4.225 1.00 0.71 O ATOM 1531 CB VAL A 100 -7.141 -4.060 7.104 1.00 0.67 C ATOM 1532 CG1 VAL A 100 -8.481 -4.467 7.743 1.00 0.81 C ATOM 1533 CG2 VAL A 100 -6.090 -5.094 7.491 1.00 0.86 C ATOM 0 H VAL A 100 -8.595 -2.419 6.098 1.00 0.47 H new ATOM 0 HA VAL A 100 -6.183 -3.526 5.222 1.00 0.49 H new ATOM 0 HB VAL A 100 -6.898 -3.074 7.500 1.00 0.67 H new ATOM 0 HG11 VAL A 100 -8.348 -4.596 8.817 1.00 0.81 H new ATOM 0 HG12 VAL A 100 -9.222 -3.689 7.560 1.00 0.81 H new ATOM 0 HG13 VAL A 100 -8.823 -5.404 7.305 1.00 0.81 H new ATOM 0 HG21 VAL A 100 -6.095 -5.230 8.572 1.00 0.86 H new ATOM 0 HG22 VAL A 100 -6.317 -6.043 7.005 1.00 0.86 H new ATOM 0 HG23 VAL A 100 -5.106 -4.749 7.173 1.00 0.86 H new ATOM 1543 N ASP A 101 -8.666 -5.627 4.827 1.00 0.54 N ATOM 1544 CA ASP A 101 -9.095 -6.886 4.205 1.00 0.70 C ATOM 1545 C ASP A 101 -9.335 -6.700 2.700 1.00 0.58 C ATOM 1546 O ASP A 101 -8.958 -7.526 1.860 1.00 0.71 O ATOM 1547 CB ASP A 101 -10.391 -7.298 4.911 1.00 0.90 C ATOM 1548 CG ASP A 101 -10.828 -8.702 4.499 1.00 1.40 C ATOM 1549 OD1 ASP A 101 -11.527 -8.805 3.467 1.00 2.42 O ATOM 1550 OD2 ASP A 101 -10.439 -9.650 5.215 1.00 1.91 O ATOM 0 H ASP A 101 -9.431 -5.137 5.291 1.00 0.54 H new ATOM 0 HA ASP A 101 -8.328 -7.653 4.309 1.00 0.70 H new ATOM 0 HB2 ASP A 101 -10.246 -7.263 5.991 1.00 0.90 H new ATOM 0 HB3 ASP A 101 -11.180 -6.585 4.672 1.00 0.90 H new ATOM 1555 N GLU A 102 -9.912 -5.539 2.385 1.00 0.42 N ATOM 1556 CA GLU A 102 -10.193 -5.017 1.062 1.00 0.42 C ATOM 1557 C GLU A 102 -8.945 -5.035 0.194 1.00 0.60 C ATOM 1558 O GLU A 102 -8.864 -5.818 -0.747 1.00 0.80 O ATOM 1559 CB GLU A 102 -10.700 -3.579 1.202 1.00 0.65 C ATOM 1560 CG GLU A 102 -12.088 -3.492 1.817 1.00 0.76 C ATOM 1561 CD GLU A 102 -12.286 -2.067 2.314 1.00 0.95 C ATOM 1562 OE1 GLU A 102 -12.341 -1.127 1.474 1.00 0.78 O ATOM 1563 OE2 GLU A 102 -12.327 -1.858 3.543 1.00 2.24 O ATOM 0 H GLU A 102 -10.216 -4.893 3.113 1.00 0.42 H new ATOM 0 HA GLU A 102 -10.947 -5.643 0.584 1.00 0.42 H new ATOM 0 HB2 GLU A 102 -10.001 -3.012 1.817 1.00 0.65 H new ATOM 0 HB3 GLU A 102 -10.715 -3.108 0.219 1.00 0.65 H new ATOM 0 HG2 GLU A 102 -12.849 -3.749 1.081 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -12.187 -4.201 2.639 1.00 0.76 H new ATOM 1570 N PHE A 103 -7.970 -4.178 0.518 1.00 0.69 N ATOM 1571 CA PHE A 103 -6.787 -3.970 -0.308 1.00 1.03 C ATOM 1572 C PHE A 103 -5.880 -5.194 -0.357 1.00 0.99 C ATOM 1573 O PHE A 103 -5.116 -5.340 -1.303 1.00 1.04 O ATOM 1574 CB PHE A 103 -6.058 -2.708 0.155 1.00 1.41 C ATOM 1575 CG PHE A 103 -4.886 -2.834 1.117 1.00 0.77 C ATOM 1576 CD1 PHE A 103 -4.979 -3.621 2.278 1.00 2.69 C ATOM 1577 CD2 PHE A 103 -3.706 -2.104 0.880 1.00 1.54 C ATOM 1578 CE1 PHE A 103 -3.890 -3.737 3.156 1.00 4.04 C ATOM 1579 CE2 PHE A 103 -2.622 -2.196 1.770 1.00 2.62 C ATOM 1580 CZ PHE A 103 -2.706 -3.025 2.904 1.00 3.76 C ATOM 0 H PHE A 103 -7.984 -3.610 1.365 1.00 0.69 H new ATOM 0 HA PHE A 103 -7.108 -3.822 -1.339 1.00 1.03 H new ATOM 0 HB2 PHE A 103 -5.697 -2.193 -0.735 1.00 1.41 H new ATOM 0 HB3 PHE A 103 -6.796 -2.056 0.622 1.00 1.41 H new ATOM 0 HD1 PHE A 103 -5.899 -4.142 2.497 1.00 2.69 H new ATOM 0 HD2 PHE A 103 -3.633 -1.469 0.009 1.00 1.54 H new ATOM 0 HE1 PHE A 103 -3.963 -4.374 4.025 1.00 4.04 H new ATOM 0 HE2 PHE A 103 -1.722 -1.629 1.583 1.00 2.62 H new ATOM 0 HZ PHE A 103 -1.865 -3.113 3.576 1.00 3.76 H new ATOM 1590 N SER A 104 -6.012 -6.093 0.627 1.00 0.94 N ATOM 1591 CA SER A 104 -5.375 -7.398 0.613 1.00 1.01 C ATOM 1592 C SER A 104 -6.011 -8.293 -0.445 1.00 0.93 C ATOM 1593 O SER A 104 -5.371 -8.661 -1.426 1.00 1.58 O ATOM 1594 CB SER A 104 -5.426 -8.020 2.012 1.00 1.02 C ATOM 1595 OG SER A 104 -4.767 -9.269 1.999 1.00 1.45 O ATOM 0 H SER A 104 -6.573 -5.923 1.462 1.00 0.94 H new ATOM 0 HA SER A 104 -4.325 -7.287 0.343 1.00 1.01 H new ATOM 0 HB2 SER A 104 -4.952 -7.355 2.734 1.00 1.02 H new ATOM 0 HB3 SER A 104 -6.462 -8.147 2.327 1.00 1.02 H new ATOM 0 HG SER A 104 -4.934 -9.736 2.844 1.00 1.45 H new ATOM 1601 N THR A 105 -7.292 -8.617 -0.283 1.00 0.53 N ATOM 1602 CA THR A 105 -8.004 -9.557 -1.161 1.00 0.58 C ATOM 1603 C THR A 105 -8.185 -9.032 -2.590 1.00 0.65 C ATOM 1604 O THR A 105 -8.122 -9.802 -3.548 1.00 0.67 O ATOM 1605 CB THR A 105 -9.329 -9.966 -0.512 1.00 0.58 C ATOM 1606 OG1 THR A 105 -10.125 -8.844 -0.178 1.00 0.56 O ATOM 1607 CG2 THR A 105 -9.016 -10.763 0.761 1.00 0.50 C ATOM 0 H THR A 105 -7.873 -8.235 0.464 1.00 0.53 H new ATOM 0 HA THR A 105 -7.383 -10.446 -1.272 1.00 0.58 H new ATOM 0 HB THR A 105 -9.893 -10.567 -1.226 1.00 0.58 H new ATOM 0 HG1 THR A 105 -9.885 -8.528 0.718 1.00 0.56 H new ATOM 0 HG21 THR A 105 -9.948 -11.065 1.240 1.00 0.50 H new ATOM 0 HG22 THR A 105 -8.437 -11.650 0.502 1.00 0.50 H new ATOM 0 HG23 THR A 105 -8.440 -10.142 1.447 1.00 0.50 H new ATOM 1615 N LEU A 106 -8.244 -7.708 -2.749 1.00 0.72 N ATOM 1616 CA LEU A 106 -8.081 -6.976 -4.008 1.00 0.82 C ATOM 1617 C LEU A 106 -6.859 -7.442 -4.817 1.00 0.71 C ATOM 1618 O LEU A 106 -6.956 -7.580 -6.035 1.00 0.87 O ATOM 1619 CB LEU A 106 -8.037 -5.481 -3.636 1.00 1.07 C ATOM 1620 CG LEU A 106 -7.694 -4.398 -4.672 1.00 1.03 C ATOM 1621 CD1 LEU A 106 -6.188 -4.294 -4.934 1.00 1.59 C ATOM 1622 CD2 LEU A 106 -8.480 -4.542 -5.975 1.00 2.68 C ATOM 0 H LEU A 106 -8.416 -7.084 -1.961 1.00 0.72 H new ATOM 0 HA LEU A 106 -8.915 -7.172 -4.681 1.00 0.82 H new ATOM 0 HB2 LEU A 106 -9.016 -5.229 -3.228 1.00 1.07 H new ATOM 0 HB3 LEU A 106 -7.318 -5.379 -2.824 1.00 1.07 H new ATOM 0 HG LEU A 106 -8.010 -3.457 -4.222 1.00 1.03 H new ATOM 0 HD11 LEU A 106 -6.000 -3.515 -5.673 1.00 1.59 H new ATOM 0 HD12 LEU A 106 -5.674 -4.045 -4.006 1.00 1.59 H new ATOM 0 HD13 LEU A 106 -5.817 -5.248 -5.310 1.00 1.59 H new ATOM 0 HD21 LEU A 106 -8.192 -3.748 -6.663 1.00 2.68 H new ATOM 0 HD22 LEU A 106 -8.262 -5.510 -6.426 1.00 2.68 H new ATOM 0 HD23 LEU A 106 -9.547 -4.471 -5.766 1.00 2.68 H new ATOM 1634 N VAL A 107 -5.704 -7.720 -4.197 1.00 0.57 N ATOM 1635 CA VAL A 107 -4.516 -8.097 -4.987 1.00 0.63 C ATOM 1636 C VAL A 107 -4.544 -9.541 -5.487 1.00 0.73 C ATOM 1637 O VAL A 107 -3.825 -9.890 -6.422 1.00 0.97 O ATOM 1638 CB VAL A 107 -3.206 -7.876 -4.239 1.00 0.65 C ATOM 1639 CG1 VAL A 107 -3.140 -6.559 -3.468 1.00 0.73 C ATOM 1640 CG2 VAL A 107 -2.796 -9.072 -3.382 1.00 1.22 C ATOM 0 H VAL A 107 -5.564 -7.694 -3.187 1.00 0.57 H new ATOM 0 HA VAL A 107 -4.560 -7.428 -5.846 1.00 0.63 H new ATOM 0 HB VAL A 107 -2.457 -7.786 -5.026 1.00 0.65 H new ATOM 0 HG11 VAL A 107 -2.176 -6.480 -2.965 1.00 0.73 H new ATOM 0 HG12 VAL A 107 -3.257 -5.726 -4.161 1.00 0.73 H new ATOM 0 HG13 VAL A 107 -3.939 -6.530 -2.728 1.00 0.73 H new ATOM 0 HG21 VAL A 107 -1.856 -8.852 -2.876 1.00 1.22 H new ATOM 0 HG22 VAL A 107 -3.570 -9.271 -2.640 1.00 1.22 H new ATOM 0 HG23 VAL A 107 -2.669 -9.948 -4.017 1.00 1.22 H new ATOM 1650 N ALA A 108 -5.353 -10.379 -4.843 1.00 0.60 N ATOM 1651 CA ALA A 108 -5.668 -11.728 -5.291 1.00 0.71 C ATOM 1652 C ALA A 108 -6.586 -11.698 -6.519 1.00 0.80 C ATOM 1653 O ALA A 108 -6.330 -12.435 -7.468 1.00 0.96 O ATOM 1654 CB ALA A 108 -6.262 -12.527 -4.130 1.00 0.80 C ATOM 0 H ALA A 108 -5.819 -10.129 -3.971 1.00 0.60 H new ATOM 0 HA ALA A 108 -4.754 -12.231 -5.607 1.00 0.71 H new ATOM 0 HB1 ALA A 108 -6.498 -13.537 -4.466 1.00 0.80 H new ATOM 0 HB2 ALA A 108 -5.540 -12.575 -3.315 1.00 0.80 H new ATOM 0 HB3 ALA A 108 -7.172 -12.039 -3.781 1.00 0.80 H new