USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 67 TYR OH : rot 47:sc= 2.31 USER MOD Set 1.2: A 78 SER OG : rot 33:sc= 0.564 USER MOD Set 2.1: A 26 TYR OH : rot 22:sc= 0.373 USER MOD Set 2.2: A 49 SER OG : rot 86:sc= 1.62 USER MOD Set 3.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 14 SER OG : rot -120:sc= 1.19 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 1.04 USER MOD Single : A 1 SER N :NH3+ -132:sc= 0.101 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.16 (180deg=1.12) USER MOD Single : A 5 THR OG1 : rot 93:sc= 0.528 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 3:sc= 0.809 USER MOD Single : A 18 ASN : amide:sc= -0.277! C(o=-0.28!,f=-9.9!) USER MOD Single : A 20 GLN : amide:sc=-0.00407 K(o=-0.0041,f=-0.95) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 1.14 (180deg=1.14) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.683 K(o=0.68,f=-6.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 107:sc= 1.25 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.23) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00363 X(o=-0.0036,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0465 X(o=-0.046,f=-0.074) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0.867 (180deg=0.865) USER MOD Single : A 64 TYR OH : rot -37:sc= 0.342 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 74 SER OG : rot -83:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.640 -15.598 -6.821 1.00 0.00 N ATOM 2 CA SER A 1 -5.189 -15.458 -6.865 1.00 0.00 C ATOM 3 C SER A 1 -4.776 -13.992 -6.839 1.00 0.00 C ATOM 4 O SER A 1 -5.622 -13.100 -6.771 1.00 0.00 O ATOM 5 CB SER A 1 -4.637 -16.125 -8.109 1.00 0.00 C ATOM 6 OG SER A 1 -5.003 -15.419 -9.263 1.00 0.00 O ATOM 0 H1 SER A 1 -6.899 -16.304 -6.102 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.070 -14.683 -6.578 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.987 -15.908 -7.751 1.00 0.00 H new ATOM 0 HA SER A 1 -4.778 -15.945 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.551 -16.183 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.007 -17.148 -8.172 1.00 0.00 H new ATOM 0 HG SER A 1 -4.634 -15.868 -10.052 1.00 0.00 H new ATOM 11 N VAL A 2 -3.471 -13.749 -6.893 1.00 0.00 N ATOM 12 CA VAL A 2 -2.943 -12.390 -6.868 1.00 0.00 C ATOM 13 C VAL A 2 -2.322 -12.016 -8.208 1.00 0.00 C ATOM 14 O VAL A 2 -1.225 -12.466 -8.541 1.00 0.00 O ATOM 15 CB VAL A 2 -1.885 -12.248 -5.758 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.347 -10.825 -5.714 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.486 -12.637 -4.416 1.00 0.00 C ATOM 0 H VAL A 2 -2.759 -14.476 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.775 -11.715 -6.668 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.053 -12.918 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.601 -10.743 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.890 -10.579 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.165 -10.133 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.732 -12.534 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.330 -11.985 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.827 -13.671 -4.456 1.00 0.00 H new ATOM 27 N LYS A 3 -3.030 -11.194 -8.973 1.00 0.00 N ATOM 28 CA LYS A 3 -2.581 -10.812 -10.308 1.00 0.00 C ATOM 29 C LYS A 3 -1.387 -9.870 -10.239 1.00 0.00 C ATOM 30 O LYS A 3 -0.306 -10.185 -10.736 1.00 0.00 O ATOM 31 CB LYS A 3 -3.722 -10.158 -11.090 1.00 0.00 C ATOM 32 CG LYS A 3 -3.362 -9.762 -12.515 1.00 0.00 C ATOM 33 CD LYS A 3 -4.564 -9.190 -13.251 1.00 0.00 C ATOM 34 CE LYS A 3 -4.186 -8.718 -14.646 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.354 -8.155 -15.378 1.00 0.00 N ATOM 0 H LYS A 3 -3.918 -10.778 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.270 -11.719 -10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.567 -10.846 -11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.053 -9.270 -10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.559 -9.025 -12.498 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.985 -10.632 -13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.345 -9.948 -13.320 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.978 -8.357 -12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.404 -7.962 -14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.771 -9.552 -15.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.033 -7.738 -16.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.039 -8.913 -15.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.807 -7.421 -14.797 1.00 0.00 H new ATOM 49 N GLU A 4 -1.588 -8.711 -9.620 1.00 0.00 N ATOM 50 CA GLU A 4 -0.535 -7.709 -9.511 1.00 0.00 C ATOM 51 C GLU A 4 -0.045 -7.579 -8.075 1.00 0.00 C ATOM 52 O GLU A 4 -0.810 -7.761 -7.129 1.00 0.00 O ATOM 53 CB GLU A 4 -1.037 -6.352 -10.013 1.00 0.00 C ATOM 54 CG GLU A 4 -1.375 -6.319 -11.497 1.00 0.00 C ATOM 55 CD GLU A 4 -1.834 -4.965 -11.962 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.961 -4.089 -11.141 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.057 -4.806 -13.138 1.00 0.00 O ATOM 0 H GLU A 4 -2.471 -8.443 -9.186 1.00 0.00 H new ATOM 0 HA GLU A 4 0.300 -8.035 -10.131 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.924 -6.073 -9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.277 -5.598 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.498 -6.617 -12.071 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.155 -7.052 -11.703 1.00 0.00 H new ATOM 64 N THR A 5 1.236 -7.260 -7.919 1.00 0.00 N ATOM 65 CA THR A 5 1.831 -7.108 -6.596 1.00 0.00 C ATOM 66 C THR A 5 2.341 -5.687 -6.384 1.00 0.00 C ATOM 67 O THR A 5 2.956 -5.385 -5.362 1.00 0.00 O ATOM 68 CB THR A 5 2.984 -8.107 -6.388 1.00 0.00 C ATOM 69 OG1 THR A 5 4.017 -7.857 -7.349 1.00 0.00 O ATOM 70 CG2 THR A 5 2.486 -9.536 -6.545 1.00 0.00 C ATOM 0 H THR A 5 1.882 -7.102 -8.692 1.00 0.00 H new ATOM 0 HA THR A 5 1.050 -7.315 -5.864 1.00 0.00 H new ATOM 0 HB THR A 5 3.378 -7.978 -5.380 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.683 -7.251 -6.963 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.314 -10.229 -6.395 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.709 -9.734 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.077 -9.671 -7.546 1.00 0.00 H new ATOM 78 N LYS A 6 2.082 -4.819 -7.355 1.00 0.00 N ATOM 79 CA LYS A 6 2.646 -3.475 -7.352 1.00 0.00 C ATOM 80 C LYS A 6 2.376 -2.766 -6.032 1.00 0.00 C ATOM 81 O LYS A 6 3.291 -2.240 -5.399 1.00 0.00 O ATOM 82 CB LYS A 6 2.084 -2.656 -8.515 1.00 0.00 C ATOM 83 CG LYS A 6 2.634 -1.238 -8.610 1.00 0.00 C ATOM 84 CD LYS A 6 2.082 -0.511 -9.826 1.00 0.00 C ATOM 85 CE LYS A 6 2.612 0.913 -9.910 1.00 0.00 C ATOM 86 NZ LYS A 6 2.137 1.613 -11.133 1.00 0.00 N ATOM 0 H LYS A 6 1.484 -5.023 -8.156 1.00 0.00 H new ATOM 0 HA LYS A 6 3.725 -3.567 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.297 -3.178 -9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.999 -2.606 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.378 -0.685 -7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.722 -1.271 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.352 -1.055 -10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.993 -0.493 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.296 1.470 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.702 0.895 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.521 2.579 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.460 1.096 -11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.098 1.653 -11.128 1.00 0.00 H new ATOM 100 N LEU A 7 1.112 -2.755 -5.620 1.00 0.00 N ATOM 101 CA LEU A 7 0.702 -2.025 -4.427 1.00 0.00 C ATOM 102 C LEU A 7 1.208 -2.708 -3.163 1.00 0.00 C ATOM 103 O LEU A 7 1.524 -2.048 -2.173 1.00 0.00 O ATOM 104 CB LEU A 7 -0.827 -1.909 -4.376 1.00 0.00 C ATOM 105 CG LEU A 7 -1.472 -1.113 -5.517 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.977 -1.037 -5.298 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.857 0.277 -5.577 1.00 0.00 C ATOM 0 H LEU A 7 0.354 -3.244 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 7 1.139 -1.028 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.249 -2.914 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.106 -1.445 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.289 -1.612 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.435 -0.471 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.393 -2.044 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.182 -0.541 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.315 0.843 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.030 0.792 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.215 0.193 -5.754 1.00 0.00 H new ATOM 119 N TYR A 8 1.282 -4.034 -3.200 1.00 0.00 N ATOM 120 CA TYR A 8 1.830 -4.804 -2.090 1.00 0.00 C ATOM 121 C TYR A 8 3.327 -4.565 -1.942 1.00 0.00 C ATOM 122 O TYR A 8 3.855 -4.557 -0.830 1.00 0.00 O ATOM 123 CB TYR A 8 1.547 -6.296 -2.283 1.00 0.00 C ATOM 124 CG TYR A 8 0.079 -6.651 -2.229 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.576 -7.073 -3.377 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.615 -6.554 -1.030 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.919 -7.397 -3.327 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.957 -6.880 -0.982 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.608 -7.299 -2.124 1.00 0.00 C ATOM 130 OH TYR A 8 -3.944 -7.622 -2.074 1.00 0.00 O ATOM 0 H TYR A 8 0.968 -4.599 -3.989 1.00 0.00 H new ATOM 0 HA TYR A 8 1.341 -4.469 -1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.952 -6.612 -3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.076 -6.859 -1.514 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.037 -7.148 -4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.106 -6.224 -0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.431 -7.725 -4.220 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.497 -6.807 -0.049 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.238 -7.937 -2.954 1.00 0.00 H new ATOM 140 N ASP A 9 4.004 -4.369 -3.067 1.00 0.00 N ATOM 141 CA ASP A 9 5.440 -4.113 -3.062 1.00 0.00 C ATOM 142 C ASP A 9 5.746 -2.702 -2.579 1.00 0.00 C ATOM 143 O ASP A 9 6.758 -2.467 -1.917 1.00 0.00 O ATOM 144 CB ASP A 9 6.026 -4.317 -4.461 1.00 0.00 C ATOM 145 CG ASP A 9 6.013 -5.775 -4.903 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.026 -6.634 -4.051 1.00 0.00 O ATOM 147 OD2 ASP A 9 5.989 -6.017 -6.085 1.00 0.00 O ATOM 0 H ASP A 9 3.582 -4.382 -3.995 1.00 0.00 H new ATOM 0 HA ASP A 9 5.900 -4.822 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.460 -3.721 -5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.051 -3.947 -4.477 1.00 0.00 H new ATOM 152 N LEU A 10 4.866 -1.764 -2.912 1.00 0.00 N ATOM 153 CA LEU A 10 4.983 -0.394 -2.424 1.00 0.00 C ATOM 154 C LEU A 10 4.875 -0.341 -0.905 1.00 0.00 C ATOM 155 O LEU A 10 5.608 0.398 -0.247 1.00 0.00 O ATOM 156 CB LEU A 10 3.895 0.486 -3.050 1.00 0.00 C ATOM 157 CG LEU A 10 4.075 0.809 -4.539 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.829 1.508 -5.063 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.309 1.680 -4.723 1.00 0.00 C ATOM 0 H LEU A 10 4.063 -1.927 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 10 5.964 -0.018 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.933 -0.009 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.849 1.424 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 10 4.215 -0.112 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.958 1.737 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.965 0.856 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.670 2.433 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.438 1.910 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.187 2.607 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.188 1.148 -4.358 1.00 0.00 H new ATOM 171 N LEU A 11 3.958 -1.127 -0.353 1.00 0.00 N ATOM 172 CA LEU A 11 3.773 -1.195 1.092 1.00 0.00 C ATOM 173 C LEU A 11 4.819 -2.094 1.740 1.00 0.00 C ATOM 174 O LEU A 11 5.192 -1.895 2.896 1.00 0.00 O ATOM 175 CB LEU A 11 2.368 -1.711 1.425 1.00 0.00 C ATOM 176 CG LEU A 11 1.207 -0.811 0.984 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.114 -1.453 1.383 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.361 0.564 1.620 1.00 0.00 C ATOM 0 H LEU A 11 3.329 -1.728 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 11 3.891 -0.188 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.241 -2.690 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.301 -1.857 2.503 1.00 0.00 H new ATOM 0 HG LEU A 11 1.218 -0.693 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.939 -0.813 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.206 -2.426 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.145 -1.580 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.536 1.204 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.352 0.466 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.305 1.008 1.303 1.00 0.00 H new ATOM 190 N GLY A 12 5.288 -3.083 0.987 1.00 0.00 N ATOM 191 CA GLY A 12 6.287 -4.019 1.489 1.00 0.00 C ATOM 192 C GLY A 12 5.646 -5.100 2.348 1.00 0.00 C ATOM 193 O GLY A 12 6.163 -5.453 3.409 1.00 0.00 O ATOM 0 H GLY A 12 4.992 -3.257 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.811 -4.479 0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.032 -3.480 2.074 1.00 0.00 H new ATOM 197 N VAL A 13 4.516 -5.626 1.885 1.00 0.00 N ATOM 198 CA VAL A 13 3.739 -6.581 2.665 1.00 0.00 C ATOM 199 C VAL A 13 3.158 -7.672 1.775 1.00 0.00 C ATOM 200 O VAL A 13 2.735 -7.411 0.650 1.00 0.00 O ATOM 201 CB VAL A 13 2.597 -5.863 3.406 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.655 -5.197 2.414 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.844 -6.854 4.281 1.00 0.00 C ATOM 0 H VAL A 13 4.118 -5.406 0.972 1.00 0.00 H new ATOM 0 HA VAL A 13 4.410 -7.042 3.390 1.00 0.00 H new ATOM 0 HB VAL A 13 3.021 -5.087 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.853 -4.694 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.207 -4.467 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.229 -5.952 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.037 -6.339 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.427 -7.645 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.528 -7.289 5.010 1.00 0.00 H new ATOM 213 N SER A 14 3.138 -8.899 2.288 1.00 0.00 N ATOM 214 CA SER A 14 2.612 -10.034 1.540 1.00 0.00 C ATOM 215 C SER A 14 1.135 -9.843 1.217 1.00 0.00 C ATOM 216 O SER A 14 0.376 -9.311 2.028 1.00 0.00 O ATOM 217 CB SER A 14 2.804 -11.314 2.329 1.00 0.00 C ATOM 218 OG SER A 14 2.182 -12.396 1.692 1.00 0.00 O ATOM 0 H SER A 14 3.481 -9.132 3.220 1.00 0.00 H new ATOM 0 HA SER A 14 3.162 -10.102 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.869 -11.518 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.393 -11.192 3.331 1.00 0.00 H new ATOM 0 HG SER A 14 1.508 -12.783 2.289 1.00 0.00 H new ATOM 224 N PRO A 15 0.733 -10.281 0.029 1.00 0.00 N ATOM 225 CA PRO A 15 -0.657 -10.173 -0.398 1.00 0.00 C ATOM 226 C PRO A 15 -1.543 -11.160 0.351 1.00 0.00 C ATOM 227 O PRO A 15 -2.769 -11.085 0.282 1.00 0.00 O ATOM 228 CB PRO A 15 -0.584 -10.499 -1.894 1.00 0.00 C ATOM 229 CG PRO A 15 0.594 -11.405 -2.013 1.00 0.00 C ATOM 230 CD PRO A 15 1.590 -10.855 -1.026 1.00 0.00 C ATOM 0 HA PRO A 15 -1.095 -9.195 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.496 -10.984 -2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.455 -9.597 -2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.328 -12.435 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.996 -11.403 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.243 -11.635 -0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.232 -10.100 -1.479 1.00 0.00 H new ATOM 238 N SER A 16 -0.913 -12.086 1.067 1.00 0.00 N ATOM 239 CA SER A 16 -1.639 -13.019 1.920 1.00 0.00 C ATOM 240 C SER A 16 -2.099 -12.346 3.206 1.00 0.00 C ATOM 241 O SER A 16 -2.914 -12.894 3.949 1.00 0.00 O ATOM 242 CB SER A 16 -0.765 -14.213 2.249 1.00 0.00 C ATOM 243 OG SER A 16 0.309 -13.841 3.068 1.00 0.00 O ATOM 0 H SER A 16 0.099 -12.210 1.073 1.00 0.00 H new ATOM 0 HA SER A 16 -2.521 -13.355 1.376 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.360 -14.977 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.387 -14.656 1.328 1.00 0.00 H new ATOM 0 HG SER A 16 0.857 -14.629 3.267 1.00 0.00 H new ATOM 249 N ALA A 17 -1.575 -11.153 3.464 1.00 0.00 N ATOM 250 CA ALA A 17 -1.950 -10.390 4.649 1.00 0.00 C ATOM 251 C ALA A 17 -3.355 -9.817 4.513 1.00 0.00 C ATOM 252 O ALA A 17 -3.792 -9.475 3.415 1.00 0.00 O ATOM 253 CB ALA A 17 -0.946 -9.276 4.902 1.00 0.00 C ATOM 0 H ALA A 17 -0.888 -10.692 2.867 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.944 -11.069 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.240 -8.716 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.044 -9.706 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.921 -8.606 4.042 1.00 0.00 H new ATOM 259 N ASN A 18 -4.058 -9.716 5.637 1.00 0.00 N ATOM 260 CA ASN A 18 -5.396 -9.136 5.652 1.00 0.00 C ATOM 261 C ASN A 18 -5.339 -7.621 5.793 1.00 0.00 C ATOM 262 O ASN A 18 -4.264 -7.043 5.951 1.00 0.00 O ATOM 263 CB ASN A 18 -6.228 -9.746 6.766 1.00 0.00 C ATOM 264 CG ASN A 18 -5.710 -9.394 8.133 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.947 -8.434 8.292 1.00 0.00 O ATOM 266 ND2 ASN A 18 -6.109 -10.152 9.121 1.00 0.00 N ATOM 0 H ASN A 18 -3.723 -10.028 6.549 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.872 -9.365 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.259 -9.405 6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.240 -10.830 6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.790 -9.962 10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.739 -10.934 8.942 1.00 0.00 H new ATOM 273 N GLU A 19 -6.503 -6.982 5.735 1.00 0.00 N ATOM 274 CA GLU A 19 -6.576 -5.526 5.684 1.00 0.00 C ATOM 275 C GLU A 19 -5.911 -4.900 6.902 1.00 0.00 C ATOM 276 O GLU A 19 -5.333 -3.815 6.817 1.00 0.00 O ATOM 277 CB GLU A 19 -8.034 -5.069 5.595 1.00 0.00 C ATOM 278 CG GLU A 19 -8.703 -5.359 4.260 1.00 0.00 C ATOM 279 CD GLU A 19 -9.201 -6.775 4.151 1.00 0.00 C ATOM 280 OE1 GLU A 19 -9.011 -7.524 5.078 1.00 0.00 O ATOM 281 OE2 GLU A 19 -9.770 -7.105 3.138 1.00 0.00 O ATOM 0 H GLU A 19 -7.409 -7.450 5.722 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.042 -5.195 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.604 -5.556 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.078 -3.996 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.539 -4.673 4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.995 -5.165 3.454 1.00 0.00 H new ATOM 288 N GLN A 20 -5.993 -5.587 8.036 1.00 0.00 N ATOM 289 CA GLN A 20 -5.403 -5.097 9.275 1.00 0.00 C ATOM 290 C GLN A 20 -3.880 -5.101 9.200 1.00 0.00 C ATOM 291 O GLN A 20 -3.226 -4.143 9.608 1.00 0.00 O ATOM 292 CB GLN A 20 -5.870 -5.941 10.464 1.00 0.00 C ATOM 293 CG GLN A 20 -7.342 -5.778 10.802 1.00 0.00 C ATOM 294 CD GLN A 20 -7.785 -6.709 11.914 1.00 0.00 C ATOM 295 OE1 GLN A 20 -7.190 -7.768 12.132 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.836 -6.319 12.628 1.00 0.00 N ATOM 0 H GLN A 20 -6.464 -6.488 8.122 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.737 -4.069 9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.672 -6.991 10.250 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.276 -5.676 11.339 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.532 -4.746 11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.940 -5.970 9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.299 -5.435 12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.180 -6.903 13.390 1.00 0.00 H new ATOM 305 N GLU A 21 -3.323 -6.188 8.673 1.00 0.00 N ATOM 306 CA GLU A 21 -1.878 -6.310 8.525 1.00 0.00 C ATOM 307 C GLU A 21 -1.367 -5.448 7.378 1.00 0.00 C ATOM 308 O GLU A 21 -0.240 -4.951 7.416 1.00 0.00 O ATOM 309 CB GLU A 21 -1.489 -7.771 8.290 1.00 0.00 C ATOM 310 CG GLU A 21 -1.710 -8.682 9.488 1.00 0.00 C ATOM 311 CD GLU A 21 -0.885 -8.288 10.682 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.292 -8.072 10.523 1.00 0.00 O ATOM 313 OE2 GLU A 21 -1.434 -8.204 11.757 1.00 0.00 O ATOM 0 H GLU A 21 -3.851 -6.996 8.342 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.417 -5.960 9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.062 -8.155 7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.437 -7.813 8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.765 -8.666 9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.468 -9.707 9.208 1.00 0.00 H new ATOM 320 N LEU A 22 -2.201 -5.272 6.359 1.00 0.00 N ATOM 321 CA LEU A 22 -1.879 -4.382 5.250 1.00 0.00 C ATOM 322 C LEU A 22 -1.794 -2.935 5.712 1.00 0.00 C ATOM 323 O LEU A 22 -0.956 -2.168 5.235 1.00 0.00 O ATOM 324 CB LEU A 22 -2.934 -4.511 4.144 1.00 0.00 C ATOM 325 CG LEU A 22 -2.954 -5.853 3.398 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.166 -5.903 2.478 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.663 -6.018 2.612 1.00 0.00 C ATOM 0 H LEU A 22 -3.106 -5.735 6.278 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.905 -4.675 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.917 -4.346 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.772 -3.715 3.418 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.028 -6.675 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.181 -6.855 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.076 -5.802 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.110 -5.087 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.678 -6.971 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.569 -5.205 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.815 -5.997 3.297 1.00 0.00 H new ATOM 339 N LYS A 23 -2.665 -2.563 6.645 1.00 0.00 N ATOM 340 CA LYS A 23 -2.592 -1.257 7.286 1.00 0.00 C ATOM 341 C LYS A 23 -1.260 -1.065 7.997 1.00 0.00 C ATOM 342 O LYS A 23 -0.632 -0.011 7.888 1.00 0.00 O ATOM 343 CB LYS A 23 -3.747 -1.079 8.273 1.00 0.00 C ATOM 344 CG LYS A 23 -3.754 0.261 8.996 1.00 0.00 C ATOM 345 CD LYS A 23 -4.971 0.393 9.901 1.00 0.00 C ATOM 346 CE LYS A 23 -4.967 1.721 10.645 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.152 1.863 11.536 1.00 0.00 N ATOM 0 H LYS A 23 -3.431 -3.150 6.974 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.673 -0.499 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.689 -1.194 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.703 -1.878 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.845 0.362 9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.751 1.071 8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.880 0.310 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.984 -0.428 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.056 1.802 11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.954 2.540 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.111 2.780 12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.022 1.811 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.152 1.097 12.239 1.00 0.00 H new ATOM 361 N LYS A 24 -0.832 -2.089 8.727 1.00 0.00 N ATOM 362 CA LYS A 24 0.460 -2.062 9.403 1.00 0.00 C ATOM 363 C LYS A 24 1.596 -1.844 8.414 1.00 0.00 C ATOM 364 O LYS A 24 2.550 -1.119 8.699 1.00 0.00 O ATOM 365 CB LYS A 24 0.683 -3.358 10.184 1.00 0.00 C ATOM 366 CG LYS A 24 -0.222 -3.527 11.397 1.00 0.00 C ATOM 367 CD LYS A 24 0.014 -4.866 12.080 1.00 0.00 C ATOM 368 CE LYS A 24 -0.951 -5.073 13.239 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.791 -6.416 13.861 1.00 0.00 N ATOM 0 H LYS A 24 -1.362 -2.949 8.866 1.00 0.00 H new ATOM 0 HA LYS A 24 0.453 -1.225 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.531 -4.203 9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.721 -3.395 10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.040 -2.718 12.105 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.265 -3.452 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.105 -5.672 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.040 -4.915 12.445 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.785 -4.302 13.992 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.975 -4.957 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.442 -6.505 14.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.007 -7.152 13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.188 -6.531 14.192 1.00 0.00 H new ATOM 383 N GLY A 25 1.490 -2.475 7.249 1.00 0.00 N ATOM 384 CA GLY A 25 2.456 -2.273 6.176 1.00 0.00 C ATOM 385 C GLY A 25 2.523 -0.808 5.764 1.00 0.00 C ATOM 386 O GLY A 25 3.607 -0.252 5.585 1.00 0.00 O ATOM 0 H GLY A 25 0.743 -3.132 7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.441 -2.607 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.181 -2.883 5.316 1.00 0.00 H new ATOM 390 N TYR A 26 1.359 -0.186 5.617 1.00 0.00 N ATOM 391 CA TYR A 26 1.284 1.230 5.280 1.00 0.00 C ATOM 392 C TYR A 26 1.925 2.089 6.362 1.00 0.00 C ATOM 393 O TYR A 26 2.688 3.009 6.067 1.00 0.00 O ATOM 394 CB TYR A 26 -0.172 1.652 5.062 1.00 0.00 C ATOM 395 CG TYR A 26 -0.348 3.136 4.826 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.233 3.738 3.720 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.091 3.896 5.718 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.071 5.093 3.506 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.253 5.252 5.504 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.674 5.849 4.402 1.00 0.00 C ATOM 401 OH TYR A 26 -0.835 7.198 4.189 1.00 0.00 O ATOM 0 H TYR A 26 0.453 -0.641 5.726 1.00 0.00 H new ATOM 0 HA TYR A 26 1.838 1.383 4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.575 1.107 4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.760 1.360 5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.812 3.147 3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.543 3.428 6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.522 5.563 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.832 5.844 6.198 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.682 7.400 3.242 1.00 0.00 H new ATOM 411 N ARG A 27 1.612 1.782 7.617 1.00 0.00 N ATOM 412 CA ARG A 27 2.148 2.533 8.745 1.00 0.00 C ATOM 413 C ARG A 27 3.672 2.546 8.725 1.00 0.00 C ATOM 414 O ARG A 27 4.297 3.576 8.981 1.00 0.00 O ATOM 415 CB ARG A 27 1.669 1.938 10.061 1.00 0.00 C ATOM 416 CG ARG A 27 0.189 2.138 10.350 1.00 0.00 C ATOM 417 CD ARG A 27 -0.221 1.461 11.607 1.00 0.00 C ATOM 418 NE ARG A 27 0.388 2.075 12.777 1.00 0.00 N ATOM 419 CZ ARG A 27 0.380 1.539 14.013 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.209 0.383 14.225 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.965 2.176 15.013 1.00 0.00 N ATOM 0 H ARG A 27 0.989 1.017 7.878 1.00 0.00 H new ATOM 0 HA ARG A 27 1.786 3.557 8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.883 0.869 10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.246 2.378 10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.027 3.204 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.400 1.750 9.519 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.306 1.497 11.701 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.060 0.409 11.561 1.00 0.00 H new ATOM 0 HE ARG A 27 0.854 2.974 12.653 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.660 -0.109 13.454 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.215 -0.022 15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.422 3.073 14.849 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.959 1.771 15.949 1.00 0.00 H new ATOM 435 N LYS A 28 4.265 1.397 8.419 1.00 0.00 N ATOM 436 CA LYS A 28 5.714 1.287 8.316 1.00 0.00 C ATOM 437 C LYS A 28 6.246 2.086 7.132 1.00 0.00 C ATOM 438 O LYS A 28 7.225 2.821 7.257 1.00 0.00 O ATOM 439 CB LYS A 28 6.132 -0.179 8.192 1.00 0.00 C ATOM 440 CG LYS A 28 5.927 -1.001 9.456 1.00 0.00 C ATOM 441 CD LYS A 28 6.325 -2.454 9.243 1.00 0.00 C ATOM 442 CE LYS A 28 6.095 -3.282 10.498 1.00 0.00 C ATOM 443 NZ LYS A 28 6.453 -4.713 10.295 1.00 0.00 N ATOM 0 H LYS A 28 3.763 0.528 8.238 1.00 0.00 H new ATOM 0 HA LYS A 28 6.145 1.702 9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.568 -0.637 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.185 -0.221 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.517 -0.576 10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.882 -0.949 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.749 -2.873 8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.376 -2.507 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.687 -2.873 11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.049 -3.208 10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.281 -5.242 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.870 -5.112 9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.458 -4.786 10.037 1.00 0.00 H new ATOM 457 N ALA A 29 5.594 1.935 5.983 1.00 0.00 N ATOM 458 CA ALA A 29 5.995 2.651 4.778 1.00 0.00 C ATOM 459 C ALA A 29 5.792 4.152 4.935 1.00 0.00 C ATOM 460 O ALA A 29 6.578 4.951 4.422 1.00 0.00 O ATOM 461 CB ALA A 29 5.218 2.136 3.575 1.00 0.00 C ATOM 0 H ALA A 29 4.787 1.324 5.862 1.00 0.00 H new ATOM 0 HA ALA A 29 7.058 2.470 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.527 2.679 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.418 1.073 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.151 2.286 3.740 1.00 0.00 H new ATOM 467 N ALA A 30 4.736 4.530 5.645 1.00 0.00 N ATOM 468 CA ALA A 30 4.437 5.938 5.884 1.00 0.00 C ATOM 469 C ALA A 30 5.541 6.604 6.696 1.00 0.00 C ATOM 470 O ALA A 30 5.917 7.746 6.429 1.00 0.00 O ATOM 471 CB ALA A 30 3.098 6.083 6.594 1.00 0.00 C ATOM 0 H ALA A 30 4.071 3.881 6.066 1.00 0.00 H new ATOM 0 HA ALA A 30 4.379 6.439 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.889 7.139 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.310 5.653 5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.135 5.561 7.550 1.00 0.00 H new ATOM 477 N LEU A 31 6.056 5.886 7.688 1.00 0.00 N ATOM 478 CA LEU A 31 7.206 6.351 8.453 1.00 0.00 C ATOM 479 C LEU A 31 8.456 6.423 7.584 1.00 0.00 C ATOM 480 O LEU A 31 9.242 7.365 7.687 1.00 0.00 O ATOM 481 CB LEU A 31 7.459 5.421 9.646 1.00 0.00 C ATOM 482 CG LEU A 31 6.409 5.471 10.764 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.689 4.367 11.773 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.438 6.839 11.427 1.00 0.00 C ATOM 0 H LEU A 31 5.694 4.978 7.981 1.00 0.00 H new ATOM 0 HA LEU A 31 6.982 7.354 8.815 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.522 4.397 9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.431 5.666 10.074 1.00 0.00 H new ATOM 0 HG LEU A 31 5.414 5.312 10.348 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.943 4.402 12.567 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.643 3.399 11.275 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.682 4.508 12.201 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.692 6.874 12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.427 7.018 11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.216 7.607 10.686 1.00 0.00 H new ATOM 496 N LYS A 32 8.632 5.424 6.727 1.00 0.00 N ATOM 497 CA LYS A 32 9.779 5.379 5.827 1.00 0.00 C ATOM 498 C LYS A 32 9.841 6.623 4.953 1.00 0.00 C ATOM 499 O LYS A 32 10.905 7.217 4.776 1.00 0.00 O ATOM 500 CB LYS A 32 9.727 4.123 4.954 1.00 0.00 C ATOM 501 CG LYS A 32 10.905 3.970 4.003 1.00 0.00 C ATOM 502 CD LYS A 32 10.816 2.668 3.219 1.00 0.00 C ATOM 503 CE LYS A 32 11.991 2.515 2.265 1.00 0.00 C ATOM 504 NZ LYS A 32 11.925 1.239 1.501 1.00 0.00 N ATOM 0 H LYS A 32 7.994 4.633 6.636 1.00 0.00 H new ATOM 0 HA LYS A 32 10.681 5.347 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.682 3.247 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.805 4.137 4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.929 4.812 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.837 3.994 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.794 1.826 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.883 2.643 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.005 3.354 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.923 2.553 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.744 1.174 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.937 0.437 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.048 1.214 0.943 1.00 0.00 H new ATOM 518 N TYR A 33 8.696 7.015 4.405 1.00 0.00 N ATOM 519 CA TYR A 33 8.628 8.156 3.501 1.00 0.00 C ATOM 520 C TYR A 33 7.958 9.350 4.170 1.00 0.00 C ATOM 521 O TYR A 33 7.398 10.215 3.498 1.00 0.00 O ATOM 522 CB TYR A 33 7.882 7.779 2.218 1.00 0.00 C ATOM 523 CG TYR A 33 8.528 6.650 1.445 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.874 5.434 1.316 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.774 6.832 0.866 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.464 4.404 0.611 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.364 5.802 0.160 1.00 0.00 C ATOM 528 CZ TYR A 33 9.714 4.592 0.032 1.00 0.00 C ATOM 529 OH TYR A 33 10.302 3.565 -0.672 1.00 0.00 O ATOM 0 H TYR A 33 7.800 6.557 4.572 1.00 0.00 H new ATOM 0 HA TYR A 33 9.648 8.441 3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.861 7.495 2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.818 8.657 1.575 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.903 5.293 1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.283 7.779 0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.957 3.456 0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.335 5.944 -0.292 1.00 0.00 H new ATOM 0 HH TYR A 33 11.172 3.859 -1.014 1.00 0.00 H new ATOM 539 N HIS A 34 8.020 9.390 5.495 1.00 0.00 N ATOM 540 CA HIS A 34 7.371 10.446 6.261 1.00 0.00 C ATOM 541 C HIS A 34 8.016 11.800 5.991 1.00 0.00 C ATOM 542 O HIS A 34 9.239 11.929 6.002 1.00 0.00 O ATOM 543 CB HIS A 34 7.426 10.140 7.762 1.00 0.00 C ATOM 544 CG HIS A 34 6.455 10.940 8.575 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.638 12.281 8.844 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.295 10.590 9.177 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.631 12.720 9.578 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.803 11.713 9.793 1.00 0.00 N ATOM 0 H HIS A 34 8.514 8.702 6.062 1.00 0.00 H new ATOM 0 HA HIS A 34 6.329 10.487 5.943 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.227 9.079 7.915 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.435 10.331 8.126 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.841 9.610 9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.506 13.730 9.940 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.937 11.762 10.330 1.00 0.00 H new ATOM 556 N PRO A 35 7.184 12.808 5.745 1.00 0.00 N ATOM 557 CA PRO A 35 7.671 14.127 5.362 1.00 0.00 C ATOM 558 C PRO A 35 8.683 14.656 6.371 1.00 0.00 C ATOM 559 O PRO A 35 9.625 15.360 6.009 1.00 0.00 O ATOM 560 CB PRO A 35 6.395 14.973 5.342 1.00 0.00 C ATOM 561 CG PRO A 35 5.327 14.015 4.941 1.00 0.00 C ATOM 562 CD PRO A 35 5.691 12.733 5.641 1.00 0.00 C ATOM 0 HA PRO A 35 8.198 14.133 4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.191 15.410 6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.476 15.798 4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.342 14.368 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.298 13.883 3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.222 12.664 6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.371 11.860 5.073 1.00 0.00 H new ATOM 570 N ASP A 36 8.480 14.314 7.638 1.00 0.00 N ATOM 571 CA ASP A 36 9.253 14.904 8.724 1.00 0.00 C ATOM 572 C ASP A 36 10.474 14.057 9.056 1.00 0.00 C ATOM 573 O ASP A 36 11.136 14.274 10.072 1.00 0.00 O ATOM 574 CB ASP A 36 8.384 15.068 9.974 1.00 0.00 C ATOM 575 CG ASP A 36 7.274 16.095 9.794 1.00 0.00 C ATOM 576 OD1 ASP A 36 7.425 16.966 8.969 1.00 0.00 O ATOM 577 OD2 ASP A 36 6.286 16.000 10.482 1.00 0.00 O ATOM 0 H ASP A 36 7.786 13.630 7.939 1.00 0.00 H new ATOM 0 HA ASP A 36 9.593 15.885 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.943 14.105 10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.014 15.365 10.812 1.00 0.00 H new ATOM 582 N LYS A 37 10.769 13.090 8.193 1.00 0.00 N ATOM 583 CA LYS A 37 11.953 12.255 8.354 1.00 0.00 C ATOM 584 C LYS A 37 12.984 12.548 7.270 1.00 0.00 C ATOM 585 O LYS A 37 12.647 13.047 6.198 1.00 0.00 O ATOM 586 CB LYS A 37 11.572 10.774 8.329 1.00 0.00 C ATOM 587 CG LYS A 37 10.643 10.345 9.457 1.00 0.00 C ATOM 588 CD LYS A 37 11.331 10.453 10.810 1.00 0.00 C ATOM 589 CE LYS A 37 10.439 9.933 11.929 1.00 0.00 C ATOM 590 NZ LYS A 37 11.074 10.089 13.264 1.00 0.00 N ATOM 0 H LYS A 37 10.203 12.866 7.374 1.00 0.00 H new ATOM 0 HA LYS A 37 12.397 12.490 9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.094 10.550 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.482 10.176 8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.748 10.967 9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.318 9.318 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.263 9.887 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.593 11.493 11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.489 10.468 11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.215 8.881 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.434 9.723 13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.968 9.558 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.265 11.096 13.442 1.00 0.00 H new ATOM 604 N PRO A 38 14.243 12.235 7.560 1.00 0.00 N ATOM 605 CA PRO A 38 15.328 12.478 6.617 1.00 0.00 C ATOM 606 C PRO A 38 15.058 11.802 5.279 1.00 0.00 C ATOM 607 O PRO A 38 15.468 12.297 4.229 1.00 0.00 O ATOM 608 CB PRO A 38 16.542 11.866 7.324 1.00 0.00 C ATOM 609 CG PRO A 38 16.217 11.981 8.775 1.00 0.00 C ATOM 610 CD PRO A 38 14.738 11.706 8.849 1.00 0.00 C ATOM 0 HA PRO A 38 15.463 13.533 6.377 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.692 10.827 7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.458 12.402 7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.785 11.264 9.368 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.457 12.973 9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.529 10.642 8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.275 12.209 9.698 1.00 0.00 H new ATOM 618 N THR A 39 14.364 10.669 5.324 1.00 0.00 N ATOM 619 CA THR A 39 14.104 9.884 4.123 1.00 0.00 C ATOM 620 C THR A 39 12.704 10.149 3.584 1.00 0.00 C ATOM 621 O THR A 39 12.161 9.352 2.819 1.00 0.00 O ATOM 622 CB THR A 39 14.276 8.379 4.399 1.00 0.00 C ATOM 623 OG1 THR A 39 13.380 7.975 5.444 1.00 0.00 O ATOM 624 CG2 THR A 39 15.705 8.072 4.815 1.00 0.00 C ATOM 0 H THR A 39 13.972 10.274 6.179 1.00 0.00 H new ATOM 0 HA THR A 39 14.832 10.191 3.372 1.00 0.00 H new ATOM 0 HB THR A 39 14.049 7.830 3.485 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.645 7.452 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.807 7.004 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.387 8.365 4.017 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.947 8.627 5.721 1.00 0.00 H new ATOM 632 N GLY A 40 12.123 11.273 3.991 1.00 0.00 N ATOM 633 CA GLY A 40 10.779 11.639 3.557 1.00 0.00 C ATOM 634 C GLY A 40 10.713 11.808 2.046 1.00 0.00 C ATOM 635 O GLY A 40 11.651 12.312 1.427 1.00 0.00 O ATOM 0 H GLY A 40 12.561 11.946 4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.072 10.871 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.478 12.567 4.042 1.00 0.00 H new ATOM 639 N ASP A 41 9.601 11.385 1.455 1.00 0.00 N ATOM 640 CA ASP A 41 9.417 11.475 0.012 1.00 0.00 C ATOM 641 C ASP A 41 7.940 11.541 -0.353 1.00 0.00 C ATOM 642 O ASP A 41 7.233 10.534 -0.304 1.00 0.00 O ATOM 643 CB ASP A 41 10.068 10.279 -0.687 1.00 0.00 C ATOM 644 CG ASP A 41 10.005 10.373 -2.206 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.045 10.909 -2.708 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.915 9.907 -2.849 1.00 0.00 O ATOM 0 H ASP A 41 8.812 10.975 1.955 1.00 0.00 H new ATOM 0 HA ASP A 41 9.897 12.393 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.110 10.206 -0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.574 9.363 -0.364 1.00 0.00 H new ATOM 651 N THR A 42 7.479 12.732 -0.718 1.00 0.00 N ATOM 652 CA THR A 42 6.060 12.966 -0.953 1.00 0.00 C ATOM 653 C THR A 42 5.535 12.079 -2.075 1.00 0.00 C ATOM 654 O THR A 42 4.449 11.505 -1.971 1.00 0.00 O ATOM 655 CB THR A 42 5.788 14.443 -1.292 1.00 0.00 C ATOM 656 OG1 THR A 42 6.173 15.268 -0.184 1.00 0.00 O ATOM 657 CG2 THR A 42 4.313 14.659 -1.593 1.00 0.00 C ATOM 0 H THR A 42 8.069 13.552 -0.858 1.00 0.00 H new ATOM 0 HA THR A 42 5.535 12.715 -0.031 1.00 0.00 H new ATOM 0 HB THR A 42 6.370 14.711 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.001 16.208 -0.401 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.140 15.709 -1.830 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.021 14.042 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.719 14.381 -0.722 1.00 0.00 H new ATOM 665 N GLU A 43 6.310 11.969 -3.148 1.00 0.00 N ATOM 666 CA GLU A 43 5.917 11.167 -4.299 1.00 0.00 C ATOM 667 C GLU A 43 5.667 9.718 -3.902 1.00 0.00 C ATOM 668 O GLU A 43 4.626 9.146 -4.226 1.00 0.00 O ATOM 669 CB GLU A 43 6.993 11.228 -5.386 1.00 0.00 C ATOM 670 CG GLU A 43 6.667 10.432 -6.641 1.00 0.00 C ATOM 671 CD GLU A 43 7.714 10.568 -7.711 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.644 11.313 -7.513 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.584 9.928 -8.727 1.00 0.00 O ATOM 0 H GLU A 43 7.216 12.427 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 43 4.988 11.582 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.153 12.270 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.932 10.861 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.558 9.380 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.707 10.764 -7.036 1.00 0.00 H new ATOM 680 N LYS A 44 6.627 9.128 -3.198 1.00 0.00 N ATOM 681 CA LYS A 44 6.516 7.742 -2.761 1.00 0.00 C ATOM 682 C LYS A 44 5.456 7.589 -1.678 1.00 0.00 C ATOM 683 O LYS A 44 4.802 6.551 -1.578 1.00 0.00 O ATOM 684 CB LYS A 44 7.865 7.231 -2.252 1.00 0.00 C ATOM 685 CG LYS A 44 8.963 7.196 -3.306 1.00 0.00 C ATOM 686 CD LYS A 44 8.572 6.312 -4.482 1.00 0.00 C ATOM 687 CE LYS A 44 8.635 4.839 -4.113 1.00 0.00 C ATOM 688 NZ LYS A 44 8.347 3.959 -5.279 1.00 0.00 N ATOM 0 H LYS A 44 7.492 9.590 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 44 6.213 7.145 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.191 7.863 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.731 6.226 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.163 8.207 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.886 6.825 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.563 6.564 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.238 6.507 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.624 4.606 -3.719 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.918 4.633 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.417 2.963 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.387 4.151 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.036 4.148 -6.035 1.00 0.00 H new ATOM 702 N PHE A 45 5.290 8.629 -0.868 1.00 0.00 N ATOM 703 CA PHE A 45 4.259 8.642 0.162 1.00 0.00 C ATOM 704 C PHE A 45 2.867 8.562 -0.449 1.00 0.00 C ATOM 705 O PHE A 45 1.988 7.874 0.069 1.00 0.00 O ATOM 706 CB PHE A 45 4.375 9.902 1.020 1.00 0.00 C ATOM 707 CG PHE A 45 3.543 9.864 2.271 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.269 10.408 2.290 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.035 9.282 3.430 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.503 10.374 3.441 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.272 9.245 4.581 1.00 0.00 C ATOM 712 CZ PHE A 45 2.004 9.792 4.586 1.00 0.00 C ATOM 0 H PHE A 45 5.858 9.475 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 45 4.410 7.765 0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.420 10.048 1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.078 10.765 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.870 10.864 1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.026 8.853 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.512 10.803 3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.667 8.788 5.477 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.406 9.764 5.485 1.00 0.00 H new ATOM 722 N LYS A 46 2.671 9.272 -1.555 1.00 0.00 N ATOM 723 CA LYS A 46 1.406 9.232 -2.279 1.00 0.00 C ATOM 724 C LYS A 46 1.156 7.853 -2.875 1.00 0.00 C ATOM 725 O LYS A 46 0.027 7.362 -2.880 1.00 0.00 O ATOM 726 CB LYS A 46 1.384 10.294 -3.378 1.00 0.00 C ATOM 727 CG LYS A 46 1.248 11.724 -2.871 1.00 0.00 C ATOM 728 CD LYS A 46 1.239 12.719 -4.021 1.00 0.00 C ATOM 729 CE LYS A 46 1.013 14.139 -3.524 1.00 0.00 C ATOM 730 NZ LYS A 46 1.032 15.129 -4.634 1.00 0.00 N ATOM 0 H LYS A 46 3.374 9.883 -1.970 1.00 0.00 H new ATOM 0 HA LYS A 46 0.608 9.444 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.301 10.214 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.556 10.081 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.328 11.822 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.072 11.953 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.186 12.666 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.456 12.451 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.055 14.194 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.783 14.395 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.874 16.083 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.955 15.096 -5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.280 14.901 -5.316 1.00 0.00 H new ATOM 744 N GLU A 47 2.217 7.231 -3.378 1.00 0.00 N ATOM 745 CA GLU A 47 2.113 5.911 -3.991 1.00 0.00 C ATOM 746 C GLU A 47 1.622 4.876 -2.987 1.00 0.00 C ATOM 747 O GLU A 47 0.733 4.079 -3.287 1.00 0.00 O ATOM 748 CB GLU A 47 3.465 5.480 -4.562 1.00 0.00 C ATOM 749 CG GLU A 47 3.890 6.237 -5.812 1.00 0.00 C ATOM 750 CD GLU A 47 5.214 5.778 -6.353 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.787 4.879 -5.784 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.654 6.324 -7.338 1.00 0.00 O ATOM 0 H GLU A 47 3.160 7.620 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 47 1.387 5.976 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.228 5.612 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.426 4.415 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.127 6.115 -6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.946 7.301 -5.584 1.00 0.00 H new ATOM 759 N ILE A 48 2.204 4.893 -1.793 1.00 0.00 N ATOM 760 CA ILE A 48 1.843 3.942 -0.750 1.00 0.00 C ATOM 761 C ILE A 48 0.493 4.288 -0.133 1.00 0.00 C ATOM 762 O ILE A 48 -0.184 3.425 0.427 1.00 0.00 O ATOM 763 CB ILE A 48 2.915 3.902 0.353 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.021 5.262 1.046 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.260 3.491 -0.228 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.871 5.248 2.296 1.00 0.00 C ATOM 0 H ILE A 48 2.930 5.557 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 48 1.775 2.959 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 48 2.620 3.161 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.436 5.985 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.019 5.607 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.007 3.468 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.176 2.501 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.562 4.210 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.897 6.248 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.445 4.551 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.884 4.935 2.044 1.00 0.00 H new ATOM 778 N SER A 49 0.105 5.554 -0.241 1.00 0.00 N ATOM 779 CA SER A 49 -1.200 5.998 0.231 1.00 0.00 C ATOM 780 C SER A 49 -2.316 5.479 -0.667 1.00 0.00 C ATOM 781 O SER A 49 -3.383 5.091 -0.188 1.00 0.00 O ATOM 782 CB SER A 49 -1.248 7.513 0.286 1.00 0.00 C ATOM 783 OG SER A 49 -0.397 8.005 1.284 1.00 0.00 O ATOM 0 H SER A 49 0.677 6.291 -0.652 1.00 0.00 H new ATOM 0 HA SER A 49 -1.350 5.594 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.958 7.925 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.269 7.842 0.479 1.00 0.00 H new ATOM 0 HG SER A 49 0.510 8.096 0.925 1.00 0.00 H new ATOM 789 N GLU A 50 -2.064 5.473 -1.972 1.00 0.00 N ATOM 790 CA GLU A 50 -2.960 4.826 -2.923 1.00 0.00 C ATOM 791 C GLU A 50 -3.009 3.320 -2.697 1.00 0.00 C ATOM 792 O GLU A 50 -4.078 2.711 -2.732 1.00 0.00 O ATOM 793 CB GLU A 50 -2.521 5.124 -4.357 1.00 0.00 C ATOM 794 CG GLU A 50 -2.831 6.537 -4.831 1.00 0.00 C ATOM 795 CD GLU A 50 -2.486 6.758 -6.277 1.00 0.00 C ATOM 796 OE1 GLU A 50 -2.215 5.798 -6.957 1.00 0.00 O ATOM 797 OE2 GLU A 50 -2.495 7.889 -6.702 1.00 0.00 O ATOM 0 H GLU A 50 -1.245 5.910 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.961 5.228 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.447 4.955 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.007 4.415 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.891 6.741 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.279 7.250 -4.218 1.00 0.00 H new ATOM 804 N ALA A 51 -1.843 2.724 -2.466 1.00 0.00 N ATOM 805 CA ALA A 51 -1.760 1.305 -2.142 1.00 0.00 C ATOM 806 C ALA A 51 -2.590 0.972 -0.911 1.00 0.00 C ATOM 807 O ALA A 51 -3.322 -0.018 -0.893 1.00 0.00 O ATOM 808 CB ALA A 51 -0.309 0.894 -1.930 1.00 0.00 C ATOM 0 H ALA A 51 -0.943 3.202 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.166 0.743 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.263 -0.168 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.260 1.084 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.116 1.471 -1.109 1.00 0.00 H new ATOM 814 N PHE A 52 -2.472 1.802 0.119 1.00 0.00 N ATOM 815 CA PHE A 52 -3.243 1.621 1.343 1.00 0.00 C ATOM 816 C PHE A 52 -4.740 1.677 1.065 1.00 0.00 C ATOM 817 O PHE A 52 -5.467 0.722 1.337 1.00 0.00 O ATOM 818 CB PHE A 52 -2.872 2.690 2.373 1.00 0.00 C ATOM 819 CG PHE A 52 -3.747 2.687 3.594 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.747 1.605 4.461 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.572 3.765 3.876 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.554 1.601 5.584 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.378 3.765 4.998 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.369 2.680 5.853 1.00 0.00 C ATOM 0 H PHE A 52 -1.848 2.609 0.130 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.001 0.636 1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.837 2.542 2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.927 3.671 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.110 0.757 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.585 4.615 3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.546 0.752 6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.014 4.612 5.206 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.999 2.677 6.730 1.00 0.00 H new ATOM 834 N GLU A 53 -5.194 2.800 0.520 1.00 0.00 N ATOM 835 CA GLU A 53 -6.616 3.017 0.285 1.00 0.00 C ATOM 836 C GLU A 53 -7.221 1.873 -0.521 1.00 0.00 C ATOM 837 O GLU A 53 -8.281 1.351 -0.176 1.00 0.00 O ATOM 838 CB GLU A 53 -6.841 4.343 -0.446 1.00 0.00 C ATOM 839 CG GLU A 53 -8.250 4.531 -0.989 1.00 0.00 C ATOM 840 CD GLU A 53 -9.288 4.612 0.095 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.943 4.971 1.196 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.427 4.315 -0.178 1.00 0.00 O ATOM 0 H GLU A 53 -4.597 3.575 0.232 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.112 3.055 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.615 5.163 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.134 4.413 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.285 5.441 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.491 3.702 -1.655 1.00 0.00 H new ATOM 849 N ILE A 54 -6.541 1.488 -1.595 1.00 0.00 N ATOM 850 CA ILE A 54 -7.038 0.445 -2.483 1.00 0.00 C ATOM 851 C ILE A 54 -7.043 -0.913 -1.790 1.00 0.00 C ATOM 852 O ILE A 54 -7.983 -1.693 -1.938 1.00 0.00 O ATOM 853 CB ILE A 54 -6.188 0.364 -3.765 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.386 1.621 -4.615 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.544 -0.884 -4.560 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.361 1.781 -5.716 1.00 0.00 C ATOM 0 H ILE A 54 -5.643 1.884 -1.872 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.062 0.707 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.137 0.302 -3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.381 1.595 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.349 2.496 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.935 -0.926 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.354 -1.769 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.598 -0.852 -4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.567 2.694 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.364 1.840 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.413 0.925 -6.388 1.00 0.00 H new ATOM 868 N LEU A 55 -5.986 -1.188 -1.032 1.00 0.00 N ATOM 869 CA LEU A 55 -5.827 -2.483 -0.380 1.00 0.00 C ATOM 870 C LEU A 55 -6.487 -2.494 0.991 1.00 0.00 C ATOM 871 O LEU A 55 -6.588 -3.539 1.634 1.00 0.00 O ATOM 872 CB LEU A 55 -4.339 -2.826 -0.242 1.00 0.00 C ATOM 873 CG LEU A 55 -3.562 -2.966 -1.558 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.096 -3.242 -1.256 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.169 -4.085 -2.389 1.00 0.00 C ATOM 0 H LEU A 55 -5.226 -0.531 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.316 -3.233 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.861 -2.053 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.251 -3.761 0.312 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.627 -2.040 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.544 -3.341 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.682 -2.417 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.010 -4.166 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.617 -4.184 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.114 -5.021 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.212 -3.853 -2.606 1.00 0.00 H new ATOM 887 N ASN A 56 -6.938 -1.325 1.436 1.00 0.00 N ATOM 888 CA ASN A 56 -7.681 -1.215 2.685 1.00 0.00 C ATOM 889 C ASN A 56 -9.141 -1.602 2.495 1.00 0.00 C ATOM 890 O ASN A 56 -9.652 -2.490 3.176 1.00 0.00 O ATOM 891 CB ASN A 56 -7.569 0.189 3.251 1.00 0.00 C ATOM 892 CG ASN A 56 -8.248 0.330 4.585 1.00 0.00 C ATOM 893 OD1 ASN A 56 -7.934 -0.395 5.536 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.176 1.250 4.674 1.00 0.00 N ATOM 0 H ASN A 56 -6.801 -0.440 0.948 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.241 -1.912 3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.516 0.453 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.008 0.897 2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.672 1.391 5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.403 1.826 3.863 1.00 0.00 H new ATOM 901 N ASP A 57 -9.808 -0.929 1.563 1.00 0.00 N ATOM 902 CA ASP A 57 -11.172 -1.285 1.191 1.00 0.00 C ATOM 903 C ASP A 57 -11.234 -2.692 0.607 1.00 0.00 C ATOM 904 O ASP A 57 -10.594 -2.983 -0.403 1.00 0.00 O ATOM 905 CB ASP A 57 -11.733 -0.283 0.179 1.00 0.00 C ATOM 906 CG ASP A 57 -13.195 -0.538 -0.162 1.00 0.00 C ATOM 907 OD1 ASP A 57 -14.043 0.043 0.473 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.449 -1.312 -1.054 1.00 0.00 O ATOM 0 H ASP A 57 -9.426 -0.134 1.051 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.778 -1.257 2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.629 0.726 0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.140 -0.326 -0.734 1.00 0.00 H new ATOM 913 N PRO A 58 -12.008 -3.560 1.248 1.00 0.00 N ATOM 914 CA PRO A 58 -12.073 -4.963 0.858 1.00 0.00 C ATOM 915 C PRO A 58 -12.426 -5.110 -0.617 1.00 0.00 C ATOM 916 O PRO A 58 -11.873 -5.958 -1.315 1.00 0.00 O ATOM 917 CB PRO A 58 -13.178 -5.522 1.760 1.00 0.00 C ATOM 918 CG PRO A 58 -13.085 -4.703 3.002 1.00 0.00 C ATOM 919 CD PRO A 58 -12.774 -3.313 2.513 1.00 0.00 C ATOM 0 HA PRO A 58 -11.124 -5.487 0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.159 -5.428 1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.024 -6.581 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -14.019 -4.727 3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.304 -5.075 3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.682 -2.738 2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.184 -2.753 3.239 1.00 0.00 H new ATOM 927 N GLN A 59 -13.349 -4.276 -1.084 1.00 0.00 N ATOM 928 CA GLN A 59 -13.836 -4.364 -2.456 1.00 0.00 C ATOM 929 C GLN A 59 -12.767 -3.931 -3.450 1.00 0.00 C ATOM 930 O GLN A 59 -12.569 -4.571 -4.482 1.00 0.00 O ATOM 931 CB GLN A 59 -15.094 -3.508 -2.634 1.00 0.00 C ATOM 932 CG GLN A 59 -15.743 -3.634 -4.001 1.00 0.00 C ATOM 933 CD GLN A 59 -16.255 -5.036 -4.272 1.00 0.00 C ATOM 934 OE1 GLN A 59 -16.989 -5.612 -3.462 1.00 0.00 O ATOM 935 NE2 GLN A 59 -15.871 -5.594 -5.414 1.00 0.00 N ATOM 0 H GLN A 59 -13.775 -3.531 -0.532 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.084 -5.407 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.821 -3.787 -1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.837 -2.463 -2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.570 -2.928 -4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.021 -3.359 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.264 -5.081 -6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.183 -6.536 -5.652 1.00 0.00 H new ATOM 944 N LYS A 60 -12.078 -2.840 -3.132 1.00 0.00 N ATOM 945 CA LYS A 60 -11.007 -2.335 -3.981 1.00 0.00 C ATOM 946 C LYS A 60 -9.845 -3.318 -4.044 1.00 0.00 C ATOM 947 O LYS A 60 -9.241 -3.515 -5.099 1.00 0.00 O ATOM 948 CB LYS A 60 -10.519 -0.976 -3.478 1.00 0.00 C ATOM 949 CG LYS A 60 -11.514 0.162 -3.675 1.00 0.00 C ATOM 950 CD LYS A 60 -10.947 1.482 -3.175 1.00 0.00 C ATOM 951 CE LYS A 60 -11.965 2.606 -3.306 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.412 3.913 -2.862 1.00 0.00 N ATOM 0 H LYS A 60 -12.243 -2.288 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.408 -2.216 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.284 -1.058 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.591 -0.724 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.766 0.249 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.439 -0.064 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.647 1.380 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.050 1.733 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.288 2.683 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.848 2.366 -2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.148 4.644 -2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.095 3.838 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.605 4.172 -3.465 1.00 0.00 H new ATOM 966 N ARG A 61 -9.536 -3.934 -2.908 1.00 0.00 N ATOM 967 CA ARG A 61 -8.477 -4.935 -2.842 1.00 0.00 C ATOM 968 C ARG A 61 -8.805 -6.140 -3.714 1.00 0.00 C ATOM 969 O ARG A 61 -7.956 -6.628 -4.461 1.00 0.00 O ATOM 970 CB ARG A 61 -8.263 -5.394 -1.407 1.00 0.00 C ATOM 971 CG ARG A 61 -7.153 -6.417 -1.223 1.00 0.00 C ATOM 972 CD ARG A 61 -6.911 -6.712 0.212 1.00 0.00 C ATOM 973 NE ARG A 61 -8.047 -7.382 0.827 1.00 0.00 N ATOM 974 CZ ARG A 61 -8.368 -8.676 0.634 1.00 0.00 C ATOM 975 NH1 ARG A 61 -7.632 -9.425 -0.155 1.00 0.00 N ATOM 976 NH2 ARG A 61 -9.423 -9.192 1.242 1.00 0.00 N ATOM 0 H ARG A 61 -10.004 -3.757 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.563 -4.471 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.040 -4.523 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.195 -5.819 -1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.416 -7.337 -1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.235 -6.044 -1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.024 -7.338 0.309 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.706 -5.783 0.744 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.642 -6.833 1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.817 -9.027 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.875 -10.405 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.993 -8.610 1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.667 -10.172 1.097 1.00 0.00 H new ATOM 990 N GLU A 62 -10.041 -6.616 -3.617 1.00 0.00 N ATOM 991 CA GLU A 62 -10.510 -7.710 -4.460 1.00 0.00 C ATOM 992 C GLU A 62 -10.375 -7.363 -5.937 1.00 0.00 C ATOM 993 O GLU A 62 -9.869 -8.160 -6.728 1.00 0.00 O ATOM 994 CB GLU A 62 -11.968 -8.045 -4.137 1.00 0.00 C ATOM 995 CG GLU A 62 -12.541 -9.201 -4.944 1.00 0.00 C ATOM 996 CD GLU A 62 -13.955 -9.538 -4.561 1.00 0.00 C ATOM 997 OE1 GLU A 62 -14.488 -8.885 -3.696 1.00 0.00 O ATOM 998 OE2 GLU A 62 -14.503 -10.451 -5.133 1.00 0.00 O ATOM 0 H GLU A 62 -10.738 -6.261 -2.962 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.888 -8.581 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.047 -8.284 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.579 -7.159 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.507 -8.949 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.913 -10.081 -4.805 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.830 -6.171 -6.304 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.732 -5.703 -7.683 1.00 0.00 C ATOM 1007 C ILE A 63 -9.283 -5.664 -8.149 1.00 0.00 C ATOM 1008 O ILE A 63 -8.973 -6.050 -9.277 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.360 -4.306 -7.834 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.876 -4.378 -7.638 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -11.023 -3.718 -9.196 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.534 -3.027 -7.474 1.00 0.00 C ATOM 0 H ILE A 63 -11.271 -5.509 -5.665 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.281 -6.409 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.945 -3.653 -7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.320 -4.887 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.091 -4.986 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.474 -2.730 -9.288 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.941 -3.634 -9.298 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.412 -4.368 -9.979 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.608 -3.159 -7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.118 -2.523 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.351 -2.423 -8.363 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.398 -5.197 -7.275 1.00 0.00 N ATOM 1025 CA TYR A 64 -6.972 -5.150 -7.579 1.00 0.00 C ATOM 1026 C TYR A 64 -6.420 -6.544 -7.848 1.00 0.00 C ATOM 1027 O TYR A 64 -5.755 -6.774 -8.858 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.203 -4.485 -6.437 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.706 -4.447 -6.649 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.159 -3.571 -7.574 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.881 -5.290 -5.919 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.791 -3.537 -7.768 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.513 -5.255 -6.112 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.968 -4.384 -7.033 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.606 -4.350 -7.226 1.00 0.00 O ATOM 0 H TYR A 64 -8.643 -4.845 -6.349 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.842 -4.555 -8.483 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.568 -3.466 -6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.416 -5.017 -5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.802 -2.915 -8.143 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.308 -5.974 -5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.363 -2.855 -8.488 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.870 -5.910 -5.542 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.414 -4.203 -8.176 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.698 -7.470 -6.937 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.178 -8.829 -7.042 1.00 0.00 C ATOM 1047 C ASP A 65 -6.677 -9.513 -8.308 1.00 0.00 C ATOM 1048 O ASP A 65 -5.958 -10.296 -8.928 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.578 -9.652 -5.817 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.868 -9.206 -4.546 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -4.912 -8.474 -4.648 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.289 -9.602 -3.484 1.00 0.00 O ATOM 0 H ASP A 65 -7.281 -7.304 -6.117 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.091 -8.765 -7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.656 -9.576 -5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.354 -10.703 -6.003 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.916 -9.215 -8.686 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.556 -9.887 -9.810 1.00 0.00 C ATOM 1059 C GLN A 66 -8.196 -9.218 -11.130 1.00 0.00 C ATOM 1060 O GLN A 66 -7.943 -9.891 -12.130 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.077 -9.902 -9.631 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.560 -10.785 -8.492 1.00 0.00 C ATOM 1063 CD GLN A 66 -12.063 -10.706 -8.296 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.710 -9.748 -8.731 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.628 -11.712 -7.640 1.00 0.00 N ATOM 0 H GLN A 66 -8.497 -8.512 -8.229 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.190 -10.913 -9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.422 -8.883 -9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.538 -10.240 -10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.276 -11.818 -8.691 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.060 -10.489 -7.570 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.055 -12.484 -7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.635 -11.714 -7.478 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.175 -7.890 -11.129 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.126 -7.123 -12.367 1.00 0.00 C ATOM 1076 C TYR A 67 -6.852 -6.290 -12.450 1.00 0.00 C ATOM 1077 O TYR A 67 -6.193 -6.247 -13.487 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.358 -6.223 -12.489 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.667 -6.981 -12.509 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.012 -7.739 -13.619 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.523 -6.917 -11.420 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.207 -8.431 -13.639 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.717 -7.608 -11.440 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.061 -8.362 -12.543 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.252 -9.051 -12.563 1.00 0.00 O ATOM 0 H TYR A 67 -8.191 -7.322 -10.282 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.123 -7.829 -13.198 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.368 -5.521 -11.655 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.276 -5.633 -13.402 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.346 -7.788 -14.468 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.255 -6.326 -10.556 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.477 -9.023 -14.501 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.383 -7.559 -10.591 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.094 -9.968 -12.869 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.513 -5.628 -11.349 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.251 -4.905 -11.249 1.00 0.00 C ATOM 1097 C GLY A 68 -5.476 -3.459 -10.826 1.00 0.00 C ATOM 1098 O GLY A 68 -6.590 -3.071 -10.478 1.00 0.00 O ATOM 0 H GLY A 68 -7.095 -5.577 -10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.601 -5.401 -10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.738 -4.930 -12.210 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.410 -2.666 -10.858 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.449 -1.309 -10.328 1.00 0.00 C ATOM 1104 C LEU A 69 -5.490 -0.464 -11.050 1.00 0.00 C ATOM 1105 O LEU A 69 -6.339 0.165 -10.420 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.069 -0.650 -10.454 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.990 0.818 -10.018 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.365 0.932 -8.546 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.586 1.347 -10.267 1.00 0.00 C ATOM 0 H LEU A 69 -3.508 -2.941 -11.246 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.726 -1.370 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.357 -1.225 -9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.748 -0.719 -11.493 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.691 1.417 -10.599 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.309 1.975 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.381 0.564 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.674 0.338 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.530 2.391 -9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.869 0.759 -9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.351 1.271 -11.329 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.419 -0.454 -12.377 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.254 0.430 -13.182 1.00 0.00 C ATOM 1123 C GLU A 70 -7.719 0.320 -12.781 1.00 0.00 C ATOM 1124 O GLU A 70 -8.393 1.328 -12.571 1.00 0.00 O ATOM 1125 CB GLU A 70 -6.095 0.103 -14.670 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.905 0.995 -15.598 1.00 0.00 C ATOM 1127 CD GLU A 70 -6.712 0.660 -17.051 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.957 -0.239 -17.336 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -7.318 1.301 -17.875 1.00 0.00 O ATOM 0 H GLU A 70 -4.791 -1.049 -12.918 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.926 1.454 -13.003 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.041 0.183 -14.937 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.388 -0.934 -14.835 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.962 0.906 -15.348 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.624 2.035 -15.430 1.00 0.00 H new ATOM 1136 N ALA A 71 -8.208 -0.913 -12.677 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.601 -1.156 -12.323 1.00 0.00 C ATOM 1138 C ALA A 71 -9.896 -0.691 -10.901 1.00 0.00 C ATOM 1139 O ALA A 71 -10.884 0.000 -10.658 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.935 -2.633 -12.477 1.00 0.00 C ATOM 0 H ALA A 71 -7.659 -1.758 -12.833 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.228 -0.580 -13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.978 -2.800 -12.209 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.773 -2.937 -13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.294 -3.221 -11.821 1.00 0.00 H new ATOM 1146 N ALA A 72 -9.034 -1.077 -9.967 1.00 0.00 N ATOM 1147 CA ALA A 72 -9.234 -0.752 -8.560 1.00 0.00 C ATOM 1148 C ALA A 72 -9.038 0.736 -8.305 1.00 0.00 C ATOM 1149 O ALA A 72 -9.760 1.340 -7.512 1.00 0.00 O ATOM 1150 CB ALA A 72 -8.290 -1.567 -7.688 1.00 0.00 C ATOM 0 H ALA A 72 -8.189 -1.616 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.262 -1.006 -8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.452 -1.313 -6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.483 -2.629 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.259 -1.343 -7.961 1.00 0.00 H new ATOM 1156 N ARG A 73 -8.057 1.324 -8.981 1.00 0.00 N ATOM 1157 CA ARG A 73 -7.740 2.735 -8.801 1.00 0.00 C ATOM 1158 C ARG A 73 -8.870 3.623 -9.305 1.00 0.00 C ATOM 1159 O ARG A 73 -9.233 4.608 -8.663 1.00 0.00 O ATOM 1160 CB ARG A 73 -6.454 3.092 -9.532 1.00 0.00 C ATOM 1161 CG ARG A 73 -5.892 4.467 -9.202 1.00 0.00 C ATOM 1162 CD ARG A 73 -4.607 4.717 -9.903 1.00 0.00 C ATOM 1163 NE ARG A 73 -3.948 5.918 -9.417 1.00 0.00 N ATOM 1164 CZ ARG A 73 -4.143 7.154 -9.921 1.00 0.00 C ATOM 1165 NH1 ARG A 73 -4.977 7.332 -10.922 1.00 0.00 N ATOM 1166 NH2 ARG A 73 -3.496 8.186 -9.408 1.00 0.00 N ATOM 0 H ARG A 73 -7.467 0.844 -9.660 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.609 2.907 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.699 2.341 -9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.636 3.038 -10.605 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.615 5.233 -9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.742 4.550 -8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.947 3.860 -9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.790 4.811 -10.973 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.293 5.819 -8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.477 6.535 -11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.124 8.267 -11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.849 8.048 -8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.643 9.121 -9.789 1.00 0.00 H new ATOM 1180 N SER A 74 -9.425 3.267 -10.460 1.00 0.00 N ATOM 1181 CA SER A 74 -10.544 4.005 -11.032 1.00 0.00 C ATOM 1182 C SER A 74 -11.854 3.637 -10.346 1.00 0.00 C ATOM 1183 O SER A 74 -12.810 4.412 -10.356 1.00 0.00 O ATOM 1184 CB SER A 74 -10.646 3.729 -12.519 1.00 0.00 C ATOM 1185 OG SER A 74 -10.960 2.386 -12.759 1.00 0.00 O ATOM 0 H SER A 74 -9.117 2.471 -11.018 1.00 0.00 H new ATOM 0 HA SER A 74 -10.362 5.068 -10.874 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.410 4.369 -12.960 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.702 3.978 -13.004 1.00 0.00 H new ATOM 0 HG SER A 74 -10.141 1.848 -12.730 1.00 0.00 H new ATOM 1191 N GLY A 75 -11.891 2.450 -9.751 1.00 0.00 N ATOM 1192 CA GLY A 75 -13.066 2.000 -9.013 1.00 0.00 C ATOM 1193 C GLY A 75 -14.129 1.449 -9.954 1.00 0.00 C ATOM 1194 O GLY A 75 -15.320 1.710 -9.782 1.00 0.00 O ATOM 0 H GLY A 75 -11.121 1.782 -9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.776 1.231 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.479 2.830 -8.440 1.00 0.00 H new ATOM 1198 N GLY A 76 -13.693 0.686 -10.951 1.00 0.00 N ATOM 1199 CA GLY A 76 -14.603 0.122 -11.940 1.00 0.00 C ATOM 1200 C GLY A 76 -15.336 -1.093 -11.386 1.00 0.00 C ATOM 1201 O GLY A 76 -14.941 -1.654 -10.363 1.00 0.00 O ATOM 0 H GLY A 76 -12.713 0.444 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.326 0.878 -12.245 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.044 -0.163 -12.831 1.00 0.00 H new ATOM 1205 N PRO A 77 -16.404 -1.494 -12.065 1.00 0.00 N ATOM 1206 CA PRO A 77 -17.201 -2.638 -11.636 1.00 0.00 C ATOM 1207 C PRO A 77 -16.527 -3.952 -12.014 1.00 0.00 C ATOM 1208 O PRO A 77 -15.473 -3.958 -12.651 1.00 0.00 O ATOM 1209 CB PRO A 77 -18.519 -2.442 -12.389 1.00 0.00 C ATOM 1210 CG PRO A 77 -18.118 -1.781 -13.664 1.00 0.00 C ATOM 1211 CD PRO A 77 -17.012 -0.841 -13.266 1.00 0.00 C ATOM 0 HA PRO A 77 -17.334 -2.691 -10.555 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -19.017 -3.394 -12.574 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -19.214 -1.823 -11.821 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.775 -2.510 -14.399 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -18.953 -1.244 -14.113 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -16.283 -0.719 -14.067 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.396 0.152 -13.030 1.00 0.00 H new ATOM 1219 N SER A 78 -17.142 -5.060 -11.620 1.00 0.00 N ATOM 1220 CA SER A 78 -16.677 -6.380 -12.029 1.00 0.00 C ATOM 1221 C SER A 78 -16.831 -6.579 -13.531 1.00 0.00 C ATOM 1222 O SER A 78 -17.802 -6.115 -14.131 1.00 0.00 O ATOM 1223 CB SER A 78 -17.444 -7.457 -11.286 1.00 0.00 C ATOM 1224 OG SER A 78 -17.074 -8.733 -11.729 1.00 0.00 O ATOM 0 H SER A 78 -17.965 -5.071 -11.017 1.00 0.00 H new ATOM 0 HA SER A 78 -15.618 -6.454 -11.782 1.00 0.00 H new ATOM 0 HB2 SER A 78 -17.255 -7.371 -10.216 1.00 0.00 H new ATOM 0 HB3 SER A 78 -18.514 -7.313 -11.433 1.00 0.00 H new ATOM 0 HG SER A 78 -16.127 -8.730 -11.981 1.00 0.00 H new ATOM 1230 N PHE A 79 -15.870 -7.268 -14.134 1.00 0.00 N ATOM 1231 CA PHE A 79 -15.855 -7.463 -15.579 1.00 0.00 C ATOM 1232 C PHE A 79 -15.910 -8.941 -15.937 1.00 0.00 C ATOM 1233 O PHE A 79 -15.539 -9.336 -17.044 1.00 0.00 O ATOM 1234 CB PHE A 79 -14.604 -6.828 -16.192 1.00 0.00 C ATOM 1235 CG PHE A 79 -14.443 -5.371 -15.866 1.00 0.00 C ATOM 1236 CD1 PHE A 79 -13.411 -4.938 -15.049 1.00 0.00 C ATOM 1237 CD2 PHE A 79 -15.323 -4.430 -16.379 1.00 0.00 C ATOM 1238 CE1 PHE A 79 -13.261 -3.598 -14.750 1.00 0.00 C ATOM 1239 CE2 PHE A 79 -15.175 -3.089 -16.083 1.00 0.00 C ATOM 1240 CZ PHE A 79 -14.143 -2.673 -15.267 1.00 0.00 C ATOM 0 H PHE A 79 -15.088 -7.702 -13.643 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.741 -6.977 -15.987 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.725 -7.369 -15.842 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.641 -6.947 -17.275 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.716 -5.657 -14.641 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -16.133 -4.749 -17.017 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.453 -3.275 -14.111 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -15.867 -2.366 -16.490 1.00 0.00 H new ATOM 0 HZ PHE A 79 -14.026 -1.625 -15.034 1.00 0.00 H new ATOM 1250 N GLY A 80 -16.371 -9.756 -14.996 1.00 0.00 N ATOM 1251 CA GLY A 80 -16.434 -11.200 -15.195 1.00 0.00 C ATOM 1252 C GLY A 80 -15.152 -11.877 -14.727 1.00 0.00 C ATOM 1253 O GLY A 80 -14.300 -11.249 -14.100 1.00 0.00 O ATOM 0 H GLY A 80 -16.707 -9.442 -14.086 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.284 -11.608 -14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.599 -11.417 -16.250 1.00 0.00 H new ATOM 1257 N PRO A 81 -15.022 -13.164 -15.036 1.00 0.00 N ATOM 1258 CA PRO A 81 -13.866 -13.940 -14.607 1.00 0.00 C ATOM 1259 C PRO A 81 -12.656 -13.659 -15.489 1.00 0.00 C ATOM 1260 O PRO A 81 -11.998 -12.672 -15.307 1.00 0.00 O ATOM 1261 CB PRO A 81 -14.349 -15.387 -14.755 1.00 0.00 C ATOM 1262 CG PRO A 81 -15.320 -15.334 -15.884 1.00 0.00 C ATOM 1263 CD PRO A 81 -16.027 -14.017 -15.707 1.00 0.00 C ATOM 1264 OXT PRO A 81 -12.360 -14.425 -16.364 1.00 0.00 O ATOM 0 HA PRO A 81 -13.538 -13.703 -13.595 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.522 -16.063 -14.972 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.821 -15.745 -13.840 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.813 -15.387 -16.847 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.020 -16.169 -15.846 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.334 -13.596 -16.664 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.928 -14.125 -15.103 1.00 0.00 H new TER 1272 PRO A 81