USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=17 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 26 TYR OH : rot 19:sc= 0.558 USER MOD Set 1.2: A 49 SER OG : rot 89:sc= 1.75 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 SER OG : rot -128:sc= 1.36 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 0.965 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.496! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 1.43 (180deg=1.43) USER MOD Single : A 5 THR OG1 : rot 92:sc= 0.479 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -8:sc= 1.24 USER MOD Single : A 18 ASN : amide:sc= -0.276! C(o=-0.28!,f=-9.4!) USER MOD Single : A 20 GLN : amide:sc=-0.00365 K(o=-0.0037,f=-0.95) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.15) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.698 K(o=0.7,f=-6.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 103:sc= 1.24 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 139:sc= 0.0916 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00127 X(o=-0.0013,f=-0.0046) USER MOD Single : A 59 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.089) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0.96 (180deg=0.959) USER MOD Single : A 64 TYR OH : rot -27:sc= 0.522 USER MOD Single : A 66 GLN : amide:sc= 0.264 K(o=0.26,f=-0.33) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 89:sc= 0.0556 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.484 -16.235 -5.589 1.00 0.00 N ATOM 2 CA SER A 1 -1.799 -15.142 -4.678 1.00 0.00 C ATOM 3 C SER A 1 -2.682 -14.099 -5.353 1.00 0.00 C ATOM 4 O SER A 1 -3.908 -14.216 -5.356 1.00 0.00 O ATOM 5 CB SER A 1 -0.524 -14.492 -4.181 1.00 0.00 C ATOM 6 OG SER A 1 0.180 -13.893 -5.235 1.00 0.00 O ATOM 0 H1 SER A 1 -0.882 -16.930 -5.103 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.364 -16.695 -5.897 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.980 -15.861 -6.419 1.00 0.00 H new ATOM 0 HA SER A 1 -2.346 -15.558 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.764 -13.742 -3.427 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.105 -15.240 -3.698 1.00 0.00 H new ATOM 0 HG SER A 1 0.998 -13.479 -4.889 1.00 0.00 H new ATOM 11 N VAL A 2 -2.051 -13.079 -5.927 1.00 0.00 N ATOM 12 CA VAL A 2 -2.779 -11.995 -6.573 1.00 0.00 C ATOM 13 C VAL A 2 -2.288 -11.776 -7.999 1.00 0.00 C ATOM 14 O VAL A 2 -1.194 -12.208 -8.363 1.00 0.00 O ATOM 15 CB VAL A 2 -2.616 -10.690 -5.773 1.00 0.00 C ATOM 16 CG1 VAL A 2 -3.221 -10.838 -4.384 1.00 0.00 C ATOM 17 CG2 VAL A 2 -1.145 -10.316 -5.682 1.00 0.00 C ATOM 0 H VAL A 2 -1.036 -12.982 -5.957 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.832 -12.276 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.147 -9.891 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.097 -9.906 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.283 -11.069 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.717 -11.645 -3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.039 -9.392 -5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.597 -11.114 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.743 -10.174 -6.685 1.00 0.00 H new ATOM 27 N LYS A 3 -3.102 -11.102 -8.804 1.00 0.00 N ATOM 28 CA LYS A 3 -2.744 -10.805 -10.185 1.00 0.00 C ATOM 29 C LYS A 3 -1.568 -9.838 -10.253 1.00 0.00 C ATOM 30 O LYS A 3 -0.598 -10.076 -10.971 1.00 0.00 O ATOM 31 CB LYS A 3 -3.944 -10.229 -10.938 1.00 0.00 C ATOM 32 CG LYS A 3 -3.678 -9.922 -12.405 1.00 0.00 C ATOM 33 CD LYS A 3 -4.941 -9.455 -13.112 1.00 0.00 C ATOM 34 CE LYS A 3 -4.661 -9.079 -14.559 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.889 -8.614 -15.261 1.00 0.00 N ATOM 0 H LYS A 3 -4.017 -10.750 -8.522 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.445 -11.739 -10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.772 -10.935 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.265 -9.314 -10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.910 -9.153 -12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.290 -10.812 -12.900 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.692 -10.245 -13.079 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.358 -8.596 -12.586 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.906 -8.293 -14.590 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.247 -9.940 -15.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.655 -8.368 -16.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.601 -9.372 -15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.270 -7.777 -14.776 1.00 0.00 H new ATOM 49 N GLU A 4 -1.663 -8.747 -9.502 1.00 0.00 N ATOM 50 CA GLU A 4 -0.598 -7.752 -9.460 1.00 0.00 C ATOM 51 C GLU A 4 -0.076 -7.562 -8.042 1.00 0.00 C ATOM 52 O GLU A 4 -0.833 -7.647 -7.075 1.00 0.00 O ATOM 53 CB GLU A 4 -1.096 -6.415 -10.013 1.00 0.00 C ATOM 54 CG GLU A 4 -1.472 -6.444 -11.488 1.00 0.00 C ATOM 55 CD GLU A 4 -1.953 -5.115 -11.996 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.180 -4.240 -11.195 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.095 -4.973 -13.188 1.00 0.00 O ATOM 0 H GLU A 4 -2.467 -8.529 -8.914 1.00 0.00 H new ATOM 0 HA GLU A 4 0.221 -8.115 -10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.964 -6.098 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.322 -5.663 -9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.607 -6.759 -12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.251 -7.190 -11.644 1.00 0.00 H new ATOM 64 N THR A 5 1.223 -7.307 -7.924 1.00 0.00 N ATOM 65 CA THR A 5 1.853 -7.127 -6.622 1.00 0.00 C ATOM 66 C THR A 5 2.354 -5.698 -6.446 1.00 0.00 C ATOM 67 O THR A 5 2.965 -5.367 -5.431 1.00 0.00 O ATOM 68 CB THR A 5 3.022 -8.111 -6.431 1.00 0.00 C ATOM 69 OG1 THR A 5 4.033 -7.853 -7.412 1.00 0.00 O ATOM 70 CG2 THR A 5 2.537 -9.546 -6.574 1.00 0.00 C ATOM 0 H THR A 5 1.860 -7.220 -8.716 1.00 0.00 H new ATOM 0 HA THR A 5 1.095 -7.329 -5.866 1.00 0.00 H new ATOM 0 HB THR A 5 3.434 -7.974 -5.431 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.691 -7.226 -7.046 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.375 -10.229 -6.436 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.776 -9.750 -5.821 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.112 -9.689 -7.567 1.00 0.00 H new ATOM 78 N LYS A 6 2.092 -4.858 -7.440 1.00 0.00 N ATOM 79 CA LYS A 6 2.638 -3.506 -7.465 1.00 0.00 C ATOM 80 C LYS A 6 2.357 -2.776 -6.157 1.00 0.00 C ATOM 81 O LYS A 6 3.263 -2.209 -5.546 1.00 0.00 O ATOM 82 CB LYS A 6 2.060 -2.716 -8.641 1.00 0.00 C ATOM 83 CG LYS A 6 2.583 -1.291 -8.760 1.00 0.00 C ATOM 84 CD LYS A 6 2.019 -0.595 -9.988 1.00 0.00 C ATOM 85 CE LYS A 6 2.504 0.843 -10.084 1.00 0.00 C ATOM 86 NZ LYS A 6 2.002 1.521 -11.310 1.00 0.00 N ATOM 0 H LYS A 6 1.504 -5.089 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 6 3.718 -3.585 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.282 -3.250 -9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.975 -2.685 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.316 -0.728 -7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.672 -1.305 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.314 -1.140 -10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.930 -0.611 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.175 1.396 -9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.594 0.859 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.356 2.499 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.336 1.009 -12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.962 1.530 -11.301 1.00 0.00 H new ATOM 100 N LEU A 7 1.098 -2.793 -5.733 1.00 0.00 N ATOM 101 CA LEU A 7 0.674 -2.038 -4.561 1.00 0.00 C ATOM 102 C LEU A 7 1.162 -2.692 -3.276 1.00 0.00 C ATOM 103 O LEU A 7 1.443 -2.012 -2.288 1.00 0.00 O ATOM 104 CB LEU A 7 -0.855 -1.918 -4.532 1.00 0.00 C ATOM 105 CG LEU A 7 -1.488 -1.182 -5.720 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.995 -1.092 -5.517 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.870 0.203 -5.845 1.00 0.00 C ATOM 0 H LEU A 7 0.353 -3.323 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 7 1.115 -1.043 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.279 -2.921 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.143 -1.404 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.297 -1.729 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.445 -0.569 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.413 -2.096 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.206 -0.546 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.319 0.727 -6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.052 0.766 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.204 0.109 -6.006 1.00 0.00 H new ATOM 119 N TYR A 8 1.262 -4.018 -3.293 1.00 0.00 N ATOM 120 CA TYR A 8 1.823 -4.759 -2.169 1.00 0.00 C ATOM 121 C TYR A 8 3.315 -4.495 -2.025 1.00 0.00 C ATOM 122 O TYR A 8 3.847 -4.468 -0.916 1.00 0.00 O ATOM 123 CB TYR A 8 1.561 -6.258 -2.335 1.00 0.00 C ATOM 124 CG TYR A 8 0.100 -6.639 -2.241 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.573 -7.089 -3.367 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.566 -6.536 -1.028 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.907 -7.435 -3.281 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.900 -6.882 -0.943 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.570 -7.330 -2.063 1.00 0.00 C ATOM 130 OH TYR A 8 -3.900 -7.676 -1.977 1.00 0.00 O ATOM 0 H TYR A 8 0.961 -4.601 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 8 1.331 -4.414 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.949 -6.580 -3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.118 -6.801 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.054 -7.169 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.041 -6.186 -0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.434 -7.786 -4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.419 -6.802 0.001 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.250 -7.854 -2.875 1.00 0.00 H new ATOM 140 N ASP A 9 3.988 -4.301 -3.154 1.00 0.00 N ATOM 141 CA ASP A 9 5.421 -4.024 -3.155 1.00 0.00 C ATOM 142 C ASP A 9 5.706 -2.605 -2.679 1.00 0.00 C ATOM 143 O ASP A 9 6.717 -2.352 -2.024 1.00 0.00 O ATOM 144 CB ASP A 9 6.006 -4.226 -4.555 1.00 0.00 C ATOM 145 CG ASP A 9 6.015 -5.687 -4.986 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.065 -6.539 -4.131 1.00 0.00 O ATOM 147 OD2 ASP A 9 5.972 -5.937 -6.167 1.00 0.00 O ATOM 0 H ASP A 9 3.564 -4.330 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 9 5.894 -4.723 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.428 -3.644 -5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.025 -3.839 -4.577 1.00 0.00 H new ATOM 152 N LEU A 10 4.812 -1.681 -3.014 1.00 0.00 N ATOM 153 CA LEU A 10 4.913 -0.308 -2.536 1.00 0.00 C ATOM 154 C LEU A 10 4.822 -0.245 -1.018 1.00 0.00 C ATOM 155 O LEU A 10 5.559 0.499 -0.372 1.00 0.00 O ATOM 156 CB LEU A 10 3.805 0.552 -3.157 1.00 0.00 C ATOM 157 CG LEU A 10 3.972 0.877 -4.647 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.717 1.571 -5.159 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.200 1.755 -4.841 1.00 0.00 C ATOM 0 H LEU A 10 4.008 -1.859 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 10 5.886 0.080 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.853 0.039 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.745 1.489 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 10 4.113 -0.042 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.835 1.802 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.858 0.914 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.559 2.494 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.319 1.986 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.078 2.681 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.084 1.228 -4.483 1.00 0.00 H new ATOM 171 N LEU A 11 3.911 -1.030 -0.451 1.00 0.00 N ATOM 172 CA LEU A 11 3.733 -1.077 0.996 1.00 0.00 C ATOM 173 C LEU A 11 4.795 -1.948 1.653 1.00 0.00 C ATOM 174 O LEU A 11 5.173 -1.722 2.803 1.00 0.00 O ATOM 175 CB LEU A 11 2.338 -1.614 1.341 1.00 0.00 C ATOM 176 CG LEU A 11 1.160 -0.750 0.873 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.148 -1.383 1.331 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.310 0.658 1.429 1.00 0.00 C ATOM 0 H LEU A 11 3.284 -1.643 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 11 3.835 -0.062 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.233 -2.607 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.271 -1.732 2.422 1.00 0.00 H new ATOM 0 HG LEU A 11 1.151 -0.690 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.985 -0.769 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.238 -2.382 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.158 -1.452 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.473 1.272 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.322 0.620 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.243 1.093 1.071 1.00 0.00 H new ATOM 190 N GLY A 12 5.275 -2.945 0.918 1.00 0.00 N ATOM 191 CA GLY A 12 6.271 -3.874 1.441 1.00 0.00 C ATOM 192 C GLY A 12 5.622 -4.946 2.308 1.00 0.00 C ATOM 193 O GLY A 12 6.134 -5.291 3.373 1.00 0.00 O ATOM 0 H GLY A 12 4.990 -3.131 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.803 -4.344 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.010 -3.327 2.026 1.00 0.00 H new ATOM 197 N VAL A 13 4.492 -5.470 1.844 1.00 0.00 N ATOM 198 CA VAL A 13 3.709 -6.415 2.631 1.00 0.00 C ATOM 199 C VAL A 13 3.154 -7.533 1.757 1.00 0.00 C ATOM 200 O VAL A 13 2.756 -7.301 0.615 1.00 0.00 O ATOM 201 CB VAL A 13 2.544 -5.690 3.332 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.622 -5.048 2.306 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.776 -6.670 4.207 1.00 0.00 C ATOM 0 H VAL A 13 4.099 -5.256 0.928 1.00 0.00 H new ATOM 0 HA VAL A 13 4.371 -6.852 3.378 1.00 0.00 H new ATOM 0 HB VAL A 13 2.949 -4.900 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.805 -4.540 2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.184 -4.325 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.216 -5.818 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.954 -6.151 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.378 -7.475 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.445 -7.087 4.960 1.00 0.00 H new ATOM 213 N SER A 14 3.133 -8.745 2.299 1.00 0.00 N ATOM 214 CA SER A 14 2.706 -9.916 1.542 1.00 0.00 C ATOM 215 C SER A 14 1.251 -9.789 1.107 1.00 0.00 C ATOM 216 O SER A 14 0.400 -9.344 1.876 1.00 0.00 O ATOM 217 CB SER A 14 2.887 -11.170 2.373 1.00 0.00 C ATOM 218 OG SER A 14 2.361 -12.290 1.714 1.00 0.00 O ATOM 0 H SER A 14 3.407 -8.943 3.261 1.00 0.00 H new ATOM 0 HA SER A 14 3.326 -9.983 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.947 -11.327 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.394 -11.046 3.337 1.00 0.00 H new ATOM 0 HG SER A 14 1.743 -12.761 2.311 1.00 0.00 H new ATOM 224 N PRO A 15 0.971 -10.184 -0.130 1.00 0.00 N ATOM 225 CA PRO A 15 -0.395 -10.213 -0.635 1.00 0.00 C ATOM 226 C PRO A 15 -1.300 -11.041 0.269 1.00 0.00 C ATOM 227 O PRO A 15 -2.505 -10.805 0.342 1.00 0.00 O ATOM 228 CB PRO A 15 -0.240 -10.856 -2.018 1.00 0.00 C ATOM 229 CG PRO A 15 1.160 -10.529 -2.416 1.00 0.00 C ATOM 230 CD PRO A 15 1.949 -10.635 -1.139 1.00 0.00 C ATOM 0 HA PRO A 15 -0.860 -9.228 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.402 -11.933 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.961 -10.452 -2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.531 -11.223 -3.170 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.228 -9.528 -2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.286 -11.655 -0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.837 -10.004 -1.156 1.00 0.00 H new ATOM 238 N SER A 16 -0.710 -12.013 0.958 1.00 0.00 N ATOM 239 CA SER A 16 -1.472 -12.925 1.802 1.00 0.00 C ATOM 240 C SER A 16 -2.003 -12.216 3.041 1.00 0.00 C ATOM 241 O SER A 16 -2.903 -12.714 3.716 1.00 0.00 O ATOM 242 CB SER A 16 -0.606 -14.101 2.214 1.00 0.00 C ATOM 243 OG SER A 16 0.427 -13.690 3.066 1.00 0.00 O ATOM 0 H SER A 16 0.295 -12.189 0.948 1.00 0.00 H new ATOM 0 HA SER A 16 -2.323 -13.286 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.219 -14.850 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.184 -14.575 1.328 1.00 0.00 H new ATOM 0 HG SER A 16 0.970 -14.465 3.319 1.00 0.00 H new ATOM 249 N ALA A 17 -1.438 -11.050 3.337 1.00 0.00 N ATOM 250 CA ALA A 17 -1.840 -10.278 4.507 1.00 0.00 C ATOM 251 C ALA A 17 -3.253 -9.732 4.346 1.00 0.00 C ATOM 252 O ALA A 17 -3.662 -9.354 3.249 1.00 0.00 O ATOM 253 CB ALA A 17 -0.859 -9.142 4.756 1.00 0.00 C ATOM 0 H ALA A 17 -0.699 -10.619 2.782 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.832 -10.945 5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.173 -8.575 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.137 -9.552 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.837 -8.484 3.888 1.00 0.00 H new ATOM 259 N ASN A 18 -3.995 -9.692 5.447 1.00 0.00 N ATOM 260 CA ASN A 18 -5.341 -9.132 5.445 1.00 0.00 C ATOM 261 C ASN A 18 -5.309 -7.620 5.624 1.00 0.00 C ATOM 262 O ASN A 18 -4.246 -7.030 5.820 1.00 0.00 O ATOM 263 CB ASN A 18 -6.192 -9.779 6.523 1.00 0.00 C ATOM 264 CG ASN A 18 -5.714 -9.451 7.910 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.974 -8.481 8.111 1.00 0.00 O ATOM 266 ND2 ASN A 18 -6.122 -10.240 8.871 1.00 0.00 N ATOM 0 H ASN A 18 -3.686 -10.042 6.354 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.790 -9.346 4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.225 -9.450 6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.185 -10.860 6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.830 -10.066 9.833 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.732 -11.029 8.658 1.00 0.00 H new ATOM 273 N GLU A 19 -6.480 -6.995 5.554 1.00 0.00 N ATOM 274 CA GLU A 19 -6.573 -5.541 5.524 1.00 0.00 C ATOM 275 C GLU A 19 -5.923 -4.922 6.755 1.00 0.00 C ATOM 276 O GLU A 19 -5.354 -3.833 6.687 1.00 0.00 O ATOM 277 CB GLU A 19 -8.035 -5.101 5.432 1.00 0.00 C ATOM 278 CG GLU A 19 -8.708 -5.429 4.106 1.00 0.00 C ATOM 279 CD GLU A 19 -9.226 -6.838 4.046 1.00 0.00 C ATOM 280 OE1 GLU A 19 -9.051 -7.557 5.000 1.00 0.00 O ATOM 281 OE2 GLU A 19 -9.799 -7.198 3.045 1.00 0.00 O ATOM 0 H GLU A 19 -7.379 -7.475 5.517 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.038 -5.192 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.596 -5.575 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.089 -4.025 5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.534 -4.736 3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.996 -5.274 3.295 1.00 0.00 H new ATOM 288 N GLN A 20 -6.012 -5.622 7.880 1.00 0.00 N ATOM 289 CA GLN A 20 -5.437 -5.141 9.130 1.00 0.00 C ATOM 290 C GLN A 20 -3.914 -5.148 9.074 1.00 0.00 C ATOM 291 O GLN A 20 -3.264 -4.190 9.492 1.00 0.00 O ATOM 292 CB GLN A 20 -5.919 -5.995 10.306 1.00 0.00 C ATOM 293 CG GLN A 20 -7.395 -5.833 10.629 1.00 0.00 C ATOM 294 CD GLN A 20 -7.855 -6.773 11.727 1.00 0.00 C ATOM 295 OE1 GLN A 20 -7.267 -7.838 11.937 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.908 -6.384 12.434 1.00 0.00 N ATOM 0 H GLN A 20 -6.478 -6.526 7.952 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.771 -4.114 9.275 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.720 -7.044 10.085 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.335 -5.739 11.190 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.587 -4.804 10.932 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.983 -6.015 9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.363 -5.495 12.225 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.263 -6.974 13.187 1.00 0.00 H new ATOM 305 N GLU A 21 -3.351 -6.233 8.553 1.00 0.00 N ATOM 306 CA GLU A 21 -1.904 -6.357 8.422 1.00 0.00 C ATOM 307 C GLU A 21 -1.377 -5.491 7.285 1.00 0.00 C ATOM 308 O GLU A 21 -0.249 -5.003 7.337 1.00 0.00 O ATOM 309 CB GLU A 21 -1.514 -7.818 8.187 1.00 0.00 C ATOM 310 CG GLU A 21 -1.764 -8.735 9.377 1.00 0.00 C ATOM 311 CD GLU A 21 -0.967 -8.349 10.592 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.214 -8.129 10.458 1.00 0.00 O ATOM 313 OE2 GLU A 21 -1.539 -8.271 11.653 1.00 0.00 O ATOM 0 H GLU A 21 -3.875 -7.040 8.214 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.454 -6.011 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.070 -8.196 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.457 -7.862 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.825 -8.719 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.518 -9.759 9.098 1.00 0.00 H new ATOM 320 N LEU A 22 -2.200 -5.305 6.260 1.00 0.00 N ATOM 321 CA LEU A 22 -1.861 -4.414 5.157 1.00 0.00 C ATOM 322 C LEU A 22 -1.780 -2.966 5.624 1.00 0.00 C ATOM 323 O LEU A 22 -0.933 -2.202 5.162 1.00 0.00 O ATOM 324 CB LEU A 22 -2.901 -4.540 4.035 1.00 0.00 C ATOM 325 CG LEU A 22 -2.914 -5.879 3.287 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.112 -5.923 2.348 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.612 -6.045 2.520 1.00 0.00 C ATOM 0 H LEU A 22 -3.108 -5.760 6.170 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.882 -4.708 4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.890 -4.373 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.727 -3.743 3.312 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.002 -6.702 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.122 -6.874 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.031 -5.820 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.042 -5.106 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.622 -6.997 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.505 -5.230 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.774 -6.027 3.217 1.00 0.00 H new ATOM 339 N LYS A 23 -2.665 -2.596 6.542 1.00 0.00 N ATOM 340 CA LYS A 23 -2.601 -1.289 7.184 1.00 0.00 C ATOM 341 C LYS A 23 -1.289 -1.107 7.935 1.00 0.00 C ATOM 342 O LYS A 23 -0.657 -0.054 7.853 1.00 0.00 O ATOM 343 CB LYS A 23 -3.784 -1.102 8.137 1.00 0.00 C ATOM 344 CG LYS A 23 -3.816 0.249 8.841 1.00 0.00 C ATOM 345 CD LYS A 23 -5.057 0.388 9.709 1.00 0.00 C ATOM 346 CE LYS A 23 -5.081 1.729 10.431 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.289 1.879 11.287 1.00 0.00 N ATOM 0 H LYS A 23 -3.436 -3.184 6.859 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.653 -0.531 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.710 -1.228 7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.757 -1.890 8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.924 0.362 9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.796 1.048 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.949 0.290 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.085 -0.421 10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.186 1.826 11.046 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.053 2.536 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.266 2.805 11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.143 1.812 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.303 1.125 12.003 1.00 0.00 H new ATOM 361 N LYS A 24 -0.883 -2.140 8.665 1.00 0.00 N ATOM 362 CA LYS A 24 0.392 -2.125 9.371 1.00 0.00 C ATOM 363 C LYS A 24 1.553 -1.913 8.408 1.00 0.00 C ATOM 364 O LYS A 24 2.494 -1.180 8.708 1.00 0.00 O ATOM 365 CB LYS A 24 0.588 -3.426 10.152 1.00 0.00 C ATOM 366 CG LYS A 24 -0.346 -3.590 11.344 1.00 0.00 C ATOM 367 CD LYS A 24 -0.135 -4.931 12.032 1.00 0.00 C ATOM 368 CE LYS A 24 -1.134 -5.140 13.159 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.995 -6.483 13.783 1.00 0.00 N ATOM 0 H LYS A 24 -1.420 -2.999 8.783 1.00 0.00 H new ATOM 0 HA LYS A 24 0.374 -1.291 10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.444 -4.268 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.619 -3.473 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.175 -2.783 12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.381 -3.508 11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.233 -5.735 11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.879 -4.983 12.428 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.991 -4.371 13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.146 -5.022 12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.683 -6.579 14.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.173 -7.218 13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.032 -6.593 14.160 1.00 0.00 H new ATOM 383 N GLY A 25 1.478 -2.559 7.250 1.00 0.00 N ATOM 384 CA GLY A 25 2.473 -2.370 6.201 1.00 0.00 C ATOM 385 C GLY A 25 2.534 -0.913 5.757 1.00 0.00 C ATOM 386 O GLY A 25 3.614 -0.348 5.592 1.00 0.00 O ATOM 0 H GLY A 25 0.737 -3.219 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.452 -2.684 6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.231 -3.003 5.348 1.00 0.00 H new ATOM 390 N TYR A 26 1.365 -0.310 5.566 1.00 0.00 N ATOM 391 CA TYR A 26 1.280 1.100 5.208 1.00 0.00 C ATOM 392 C TYR A 26 1.910 1.981 6.279 1.00 0.00 C ATOM 393 O TYR A 26 2.697 2.878 5.976 1.00 0.00 O ATOM 394 CB TYR A 26 -0.177 1.508 4.975 1.00 0.00 C ATOM 395 CG TYR A 26 -0.371 2.996 4.783 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.205 3.636 3.696 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.127 3.719 5.694 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.028 4.996 3.522 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.306 5.078 5.518 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.731 5.715 4.437 1.00 0.00 C ATOM 401 OH TYR A 26 -0.909 7.068 4.262 1.00 0.00 O ATOM 0 H TYR A 26 0.463 -0.777 5.654 1.00 0.00 H new ATOM 0 HA TYR A 26 1.838 1.243 4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.555 0.985 4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.777 1.179 5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.792 3.072 2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.575 3.220 6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.478 5.498 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.896 5.641 6.226 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.714 7.306 3.331 1.00 0.00 H new ATOM 411 N ARG A 27 1.559 1.718 7.534 1.00 0.00 N ATOM 412 CA ARG A 27 2.073 2.501 8.652 1.00 0.00 C ATOM 413 C ARG A 27 3.597 2.497 8.673 1.00 0.00 C ATOM 414 O ARG A 27 4.225 3.527 8.910 1.00 0.00 O ATOM 415 CB ARG A 27 1.549 1.955 9.972 1.00 0.00 C ATOM 416 CG ARG A 27 0.067 2.185 10.216 1.00 0.00 C ATOM 417 CD ARG A 27 -0.393 1.528 11.465 1.00 0.00 C ATOM 418 NE ARG A 27 0.192 2.139 12.647 1.00 0.00 N ATOM 419 CZ ARG A 27 0.146 1.610 13.885 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.461 0.462 14.087 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.711 2.246 14.897 1.00 0.00 N ATOM 0 H ARG A 27 0.921 0.969 7.802 1.00 0.00 H new ATOM 0 HA ARG A 27 1.727 3.526 8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.747 0.884 10.009 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.112 2.412 10.786 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.130 3.255 10.274 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.505 1.801 9.371 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.480 1.586 11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.132 0.470 11.436 1.00 0.00 H new ATOM 0 HE ARG A 27 0.671 3.032 12.531 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.897 -0.029 13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.496 0.062 15.024 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.182 3.137 14.740 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.676 1.845 15.834 1.00 0.00 H new ATOM 435 N LYS A 28 4.183 1.331 8.423 1.00 0.00 N ATOM 436 CA LYS A 28 5.632 1.209 8.325 1.00 0.00 C ATOM 437 C LYS A 28 6.181 2.060 7.186 1.00 0.00 C ATOM 438 O LYS A 28 7.100 2.855 7.379 1.00 0.00 O ATOM 439 CB LYS A 28 6.035 -0.254 8.130 1.00 0.00 C ATOM 440 CG LYS A 28 7.537 -0.484 8.026 1.00 0.00 C ATOM 441 CD LYS A 28 7.859 -1.963 7.876 1.00 0.00 C ATOM 442 CE LYS A 28 9.357 -2.191 7.729 1.00 0.00 C ATOM 443 NZ LYS A 28 9.687 -3.635 7.577 1.00 0.00 N ATOM 0 H LYS A 28 3.676 0.457 8.285 1.00 0.00 H new ATOM 0 HA LYS A 28 6.061 1.572 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.647 -0.839 8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.558 -0.632 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.933 0.065 7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.030 -0.090 8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.490 -2.508 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.341 -2.364 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.724 -1.642 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.872 -1.791 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.716 -3.748 7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.359 -4.156 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.216 -4.011 6.730 1.00 0.00 H new ATOM 457 N ALA A 29 5.611 1.887 5.998 1.00 0.00 N ATOM 458 CA ALA A 29 6.056 2.623 4.821 1.00 0.00 C ATOM 459 C ALA A 29 5.815 4.119 4.985 1.00 0.00 C ATOM 460 O ALA A 29 6.608 4.939 4.520 1.00 0.00 O ATOM 461 CB ALA A 29 5.349 2.108 3.575 1.00 0.00 C ATOM 0 H ALA A 29 4.839 1.243 5.825 1.00 0.00 H new ATOM 0 HA ALA A 29 7.128 2.463 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.692 2.667 2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.576 1.051 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.273 2.237 3.688 1.00 0.00 H new ATOM 467 N ALA A 30 4.719 4.468 5.647 1.00 0.00 N ATOM 468 CA ALA A 30 4.374 5.866 5.877 1.00 0.00 C ATOM 469 C ALA A 30 5.427 6.560 6.731 1.00 0.00 C ATOM 470 O ALA A 30 5.792 7.706 6.473 1.00 0.00 O ATOM 471 CB ALA A 30 3.005 5.974 6.533 1.00 0.00 C ATOM 0 H ALA A 30 4.052 3.801 6.035 1.00 0.00 H new ATOM 0 HA ALA A 30 4.341 6.367 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.762 7.024 6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.254 5.526 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.017 5.450 7.489 1.00 0.00 H new ATOM 477 N LEU A 31 5.910 5.859 7.751 1.00 0.00 N ATOM 478 CA LEU A 31 7.011 6.354 8.567 1.00 0.00 C ATOM 479 C LEU A 31 8.304 6.425 7.764 1.00 0.00 C ATOM 480 O LEU A 31 9.077 7.375 7.895 1.00 0.00 O ATOM 481 CB LEU A 31 7.212 5.451 9.791 1.00 0.00 C ATOM 482 CG LEU A 31 6.101 5.507 10.848 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.345 4.430 11.897 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.070 6.889 11.479 1.00 0.00 C ATOM 0 H LEU A 31 5.555 4.945 8.032 1.00 0.00 H new ATOM 0 HA LEU A 31 6.755 7.361 8.897 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.310 4.421 9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.155 5.720 10.267 1.00 0.00 H new ATOM 0 HG LEU A 31 5.133 5.321 10.383 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.556 4.469 12.648 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.343 3.450 11.420 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.310 4.599 12.375 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.281 6.929 12.230 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.031 7.095 11.951 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.876 7.636 10.709 1.00 0.00 H new ATOM 496 N LYS A 32 8.533 5.415 6.931 1.00 0.00 N ATOM 497 CA LYS A 32 9.727 5.367 6.095 1.00 0.00 C ATOM 498 C LYS A 32 9.824 6.597 5.203 1.00 0.00 C ATOM 499 O LYS A 32 10.891 7.195 5.066 1.00 0.00 O ATOM 500 CB LYS A 32 9.734 4.097 5.243 1.00 0.00 C ATOM 501 CG LYS A 32 10.963 3.940 4.358 1.00 0.00 C ATOM 502 CD LYS A 32 10.930 2.624 3.595 1.00 0.00 C ATOM 503 CE LYS A 32 12.153 2.468 2.703 1.00 0.00 C ATOM 504 NZ LYS A 32 12.142 1.179 1.962 1.00 0.00 N ATOM 0 H LYS A 32 7.907 4.618 6.817 1.00 0.00 H new ATOM 0 HA LYS A 32 10.595 5.355 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.663 3.232 5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.845 4.092 4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.015 4.770 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.863 3.985 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.884 1.794 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.026 2.577 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.191 3.294 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.055 2.529 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.992 1.113 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.132 0.390 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.294 1.131 1.361 1.00 0.00 H new ATOM 518 N TYR A 33 8.703 6.970 4.594 1.00 0.00 N ATOM 519 CA TYR A 33 8.674 8.091 3.662 1.00 0.00 C ATOM 520 C TYR A 33 7.980 9.300 4.276 1.00 0.00 C ATOM 521 O TYR A 33 7.476 10.167 3.562 1.00 0.00 O ATOM 522 CB TYR A 33 7.981 7.686 2.360 1.00 0.00 C ATOM 523 CG TYR A 33 8.640 6.523 1.652 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.969 5.315 1.530 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.916 6.664 1.128 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.572 4.252 0.885 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.519 5.600 0.483 1.00 0.00 C ATOM 528 CZ TYR A 33 9.852 4.400 0.360 1.00 0.00 C ATOM 529 OH TYR A 33 10.452 3.341 -0.282 1.00 0.00 O ATOM 0 H TYR A 33 7.802 6.512 4.730 1.00 0.00 H new ATOM 0 HA TYR A 33 9.704 8.369 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.945 7.427 2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.961 8.544 1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.975 5.205 1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.439 7.604 1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.052 3.310 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.513 5.709 0.075 1.00 0.00 H new ATOM 0 HH TYR A 33 11.343 3.608 -0.591 1.00 0.00 H new ATOM 539 N HIS A 34 7.957 9.353 5.603 1.00 0.00 N ATOM 540 CA HIS A 34 7.264 10.419 6.316 1.00 0.00 C ATOM 541 C HIS A 34 7.925 11.769 6.068 1.00 0.00 C ATOM 542 O HIS A 34 9.146 11.896 6.149 1.00 0.00 O ATOM 543 CB HIS A 34 7.229 10.130 7.820 1.00 0.00 C ATOM 544 CG HIS A 34 6.214 10.940 8.564 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.385 12.283 8.832 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.018 10.600 9.099 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.335 12.733 9.498 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.493 11.731 9.673 1.00 0.00 N ATOM 0 H HIS A 34 8.411 8.669 6.208 1.00 0.00 H new ATOM 0 HA HIS A 34 6.243 10.458 5.936 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.019 9.071 7.973 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.215 10.324 8.241 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.562 9.621 9.078 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.191 13.747 9.840 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.597 11.788 10.157 1.00 0.00 H new ATOM 556 N PRO A 35 7.111 12.774 5.763 1.00 0.00 N ATOM 557 CA PRO A 35 7.622 14.088 5.392 1.00 0.00 C ATOM 558 C PRO A 35 8.575 14.627 6.451 1.00 0.00 C ATOM 559 O PRO A 35 9.536 15.328 6.134 1.00 0.00 O ATOM 560 CB PRO A 35 6.350 14.935 5.292 1.00 0.00 C ATOM 561 CG PRO A 35 5.304 13.974 4.839 1.00 0.00 C ATOM 562 CD PRO A 35 5.627 12.700 5.573 1.00 0.00 C ATOM 0 HA PRO A 35 8.202 14.082 4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.092 15.381 6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.472 15.754 4.583 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.303 14.331 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.337 13.830 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.102 12.642 6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.339 11.821 4.997 1.00 0.00 H new ATOM 570 N ASP A 36 8.302 14.297 7.708 1.00 0.00 N ATOM 571 CA ASP A 36 9.015 14.898 8.830 1.00 0.00 C ATOM 572 C ASP A 36 10.213 14.052 9.238 1.00 0.00 C ATOM 573 O ASP A 36 10.810 14.272 10.293 1.00 0.00 O ATOM 574 CB ASP A 36 8.076 15.077 10.026 1.00 0.00 C ATOM 575 CG ASP A 36 6.981 16.103 9.773 1.00 0.00 C ATOM 576 OD1 ASP A 36 7.179 16.963 8.948 1.00 0.00 O ATOM 577 OD2 ASP A 36 5.956 16.017 10.407 1.00 0.00 O ATOM 0 H ASP A 36 7.592 13.616 7.976 1.00 0.00 H new ATOM 0 HA ASP A 36 9.377 15.875 8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.619 14.118 10.269 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.658 15.382 10.896 1.00 0.00 H new ATOM 582 N LYS A 37 10.562 13.085 8.399 1.00 0.00 N ATOM 583 CA LYS A 37 11.735 12.251 8.634 1.00 0.00 C ATOM 584 C LYS A 37 12.828 12.539 7.614 1.00 0.00 C ATOM 585 O LYS A 37 12.557 13.034 6.520 1.00 0.00 O ATOM 586 CB LYS A 37 11.356 10.770 8.594 1.00 0.00 C ATOM 587 CG LYS A 37 10.363 10.346 9.668 1.00 0.00 C ATOM 588 CD LYS A 37 10.971 10.458 11.058 1.00 0.00 C ATOM 589 CE LYS A 37 10.016 9.942 12.125 1.00 0.00 C ATOM 590 NZ LYS A 37 10.572 10.103 13.495 1.00 0.00 N ATOM 0 H LYS A 37 10.048 12.858 7.547 1.00 0.00 H new ATOM 0 HA LYS A 37 12.121 12.491 9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.934 10.542 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.262 10.173 8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.471 10.969 9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.047 9.318 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.902 9.892 11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.222 11.498 11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.069 10.477 12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.802 8.889 11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.890 9.739 14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.463 9.572 13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.752 11.110 13.680 1.00 0.00 H new ATOM 604 N PRO A 38 14.068 12.228 7.979 1.00 0.00 N ATOM 605 CA PRO A 38 15.208 12.463 7.100 1.00 0.00 C ATOM 606 C PRO A 38 15.015 11.780 5.752 1.00 0.00 C ATOM 607 O PRO A 38 15.484 12.270 4.725 1.00 0.00 O ATOM 608 CB PRO A 38 16.376 11.854 7.881 1.00 0.00 C ATOM 609 CG PRO A 38 15.967 11.978 9.309 1.00 0.00 C ATOM 610 CD PRO A 38 14.486 11.704 9.298 1.00 0.00 C ATOM 0 HA PRO A 38 15.360 13.516 6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.541 10.813 7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.306 12.387 7.686 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.499 11.264 9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.185 12.972 9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.270 10.640 9.398 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.974 12.211 10.116 1.00 0.00 H new ATOM 618 N THR A 39 14.323 10.647 5.763 1.00 0.00 N ATOM 619 CA THR A 39 14.123 9.860 4.552 1.00 0.00 C ATOM 620 C THR A 39 12.747 10.119 3.948 1.00 0.00 C ATOM 621 O THR A 39 12.231 9.304 3.185 1.00 0.00 O ATOM 622 CB THR A 39 14.286 8.355 4.834 1.00 0.00 C ATOM 623 OG1 THR A 39 13.345 7.949 5.836 1.00 0.00 O ATOM 624 CG2 THR A 39 15.697 8.054 5.318 1.00 0.00 C ATOM 0 H THR A 39 13.890 10.252 6.598 1.00 0.00 H new ATOM 0 HA THR A 39 14.886 10.170 3.838 1.00 0.00 H new ATOM 0 HB THR A 39 14.103 7.805 3.911 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.594 7.484 5.411 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.795 6.986 5.513 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.415 8.351 4.553 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.893 8.609 6.235 1.00 0.00 H new ATOM 632 N GLY A 40 12.162 11.262 4.293 1.00 0.00 N ATOM 633 CA GLY A 40 10.835 11.618 3.808 1.00 0.00 C ATOM 634 C GLY A 40 10.814 11.721 2.288 1.00 0.00 C ATOM 635 O GLY A 40 11.776 12.178 1.673 1.00 0.00 O ATOM 0 H GLY A 40 12.587 11.957 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.113 10.870 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.528 12.569 4.244 1.00 0.00 H new ATOM 639 N ASP A 41 9.709 11.292 1.687 1.00 0.00 N ATOM 640 CA ASP A 41 9.569 11.312 0.236 1.00 0.00 C ATOM 641 C ASP A 41 8.108 11.444 -0.175 1.00 0.00 C ATOM 642 O ASP A 41 7.354 10.472 -0.147 1.00 0.00 O ATOM 643 CB ASP A 41 10.165 10.044 -0.377 1.00 0.00 C ATOM 644 CG ASP A 41 10.124 10.045 -1.901 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.264 10.690 -2.451 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.952 9.401 -2.498 1.00 0.00 O ATOM 0 H ASP A 41 8.897 10.926 2.183 1.00 0.00 H new ATOM 0 HA ASP A 41 10.112 12.180 -0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.198 9.938 -0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.621 9.176 -0.005 1.00 0.00 H new ATOM 651 N THR A 42 7.713 12.653 -0.558 1.00 0.00 N ATOM 652 CA THR A 42 6.316 12.945 -0.856 1.00 0.00 C ATOM 653 C THR A 42 5.795 12.058 -1.979 1.00 0.00 C ATOM 654 O THR A 42 4.673 11.555 -1.916 1.00 0.00 O ATOM 655 CB THR A 42 6.128 14.425 -1.236 1.00 0.00 C ATOM 656 OG1 THR A 42 6.507 15.257 -0.132 1.00 0.00 O ATOM 657 CG2 THR A 42 4.676 14.703 -1.599 1.00 0.00 C ATOM 0 H THR A 42 8.342 13.448 -0.670 1.00 0.00 H new ATOM 0 HA THR A 42 5.743 12.738 0.048 1.00 0.00 H new ATOM 0 HB THR A 42 6.757 14.645 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.388 16.199 -0.376 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.562 15.754 -1.865 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.387 14.081 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.037 14.473 -0.746 1.00 0.00 H new ATOM 665 N GLU A 43 6.616 11.869 -3.006 1.00 0.00 N ATOM 666 CA GLU A 43 6.232 11.056 -4.154 1.00 0.00 C ATOM 667 C GLU A 43 5.885 9.635 -3.732 1.00 0.00 C ATOM 668 O GLU A 43 4.822 9.117 -4.075 1.00 0.00 O ATOM 669 CB GLU A 43 7.358 11.031 -5.190 1.00 0.00 C ATOM 670 CG GLU A 43 7.045 10.220 -6.439 1.00 0.00 C ATOM 671 CD GLU A 43 8.144 10.273 -7.463 1.00 0.00 C ATOM 672 OE1 GLU A 43 9.097 10.986 -7.248 1.00 0.00 O ATOM 673 OE2 GLU A 43 8.033 9.602 -8.463 1.00 0.00 O ATOM 0 H GLU A 43 7.553 12.268 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 43 5.345 11.507 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.587 12.055 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.256 10.625 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.868 9.182 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.122 10.591 -6.885 1.00 0.00 H new ATOM 680 N LYS A 44 6.789 9.007 -2.987 1.00 0.00 N ATOM 681 CA LYS A 44 6.591 7.635 -2.535 1.00 0.00 C ATOM 682 C LYS A 44 5.497 7.556 -1.478 1.00 0.00 C ATOM 683 O LYS A 44 4.749 6.580 -1.417 1.00 0.00 O ATOM 684 CB LYS A 44 7.897 7.059 -1.986 1.00 0.00 C ATOM 685 CG LYS A 44 8.951 6.770 -3.046 1.00 0.00 C ATOM 686 CD LYS A 44 8.446 5.763 -4.069 1.00 0.00 C ATOM 687 CE LYS A 44 9.517 5.432 -5.098 1.00 0.00 C ATOM 688 NZ LYS A 44 9.000 4.546 -6.176 1.00 0.00 N ATOM 0 H LYS A 44 7.667 9.428 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 44 6.277 7.042 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.312 7.758 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.676 6.136 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.226 7.696 -3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.853 6.386 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.134 4.851 -3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.567 6.164 -4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.895 6.355 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.358 4.947 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.375 4.861 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.302 3.567 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.961 4.590 -6.193 1.00 0.00 H new ATOM 702 N PHE A 45 5.410 8.589 -0.647 1.00 0.00 N ATOM 703 CA PHE A 45 4.363 8.669 0.366 1.00 0.00 C ATOM 704 C PHE A 45 2.980 8.674 -0.271 1.00 0.00 C ATOM 705 O PHE A 45 2.052 8.038 0.232 1.00 0.00 O ATOM 706 CB PHE A 45 4.542 9.926 1.219 1.00 0.00 C ATOM 707 CG PHE A 45 3.675 9.955 2.447 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.458 10.619 2.439 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.076 9.317 3.610 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.660 10.646 3.567 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.279 9.341 4.739 1.00 0.00 C ATOM 712 CZ PHE A 45 2.070 10.007 4.716 1.00 0.00 C ATOM 0 H PHE A 45 6.051 9.382 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 45 4.447 7.787 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.586 10.003 1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.321 10.802 0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.130 11.121 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.021 8.795 3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.715 11.168 3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.602 8.839 5.639 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.447 10.027 5.598 1.00 0.00 H new ATOM 722 N LYS A 46 2.846 9.395 -1.378 1.00 0.00 N ATOM 723 CA LYS A 46 1.603 9.405 -2.141 1.00 0.00 C ATOM 724 C LYS A 46 1.307 8.032 -2.731 1.00 0.00 C ATOM 725 O LYS A 46 0.172 7.554 -2.677 1.00 0.00 O ATOM 726 CB LYS A 46 1.665 10.453 -3.252 1.00 0.00 C ATOM 727 CG LYS A 46 0.389 10.574 -4.075 1.00 0.00 C ATOM 728 CD LYS A 46 0.498 11.689 -5.105 1.00 0.00 C ATOM 729 CE LYS A 46 -0.769 11.799 -5.939 1.00 0.00 C ATOM 730 NZ LYS A 46 -0.677 12.887 -6.950 1.00 0.00 N ATOM 0 H LYS A 46 3.584 9.981 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 46 0.794 9.663 -1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.890 11.423 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.492 10.209 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.188 9.629 -4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.456 10.768 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.686 12.636 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.350 11.501 -5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.955 10.851 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.620 11.984 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.561 12.928 -7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.525 13.796 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.119 12.698 -7.592 1.00 0.00 H new ATOM 744 N GLU A 47 2.331 7.402 -3.293 1.00 0.00 N ATOM 745 CA GLU A 47 2.169 6.113 -3.954 1.00 0.00 C ATOM 746 C GLU A 47 1.653 5.058 -2.985 1.00 0.00 C ATOM 747 O GLU A 47 0.744 4.294 -3.309 1.00 0.00 O ATOM 748 CB GLU A 47 3.497 5.654 -4.562 1.00 0.00 C ATOM 749 CG GLU A 47 3.922 6.430 -5.802 1.00 0.00 C ATOM 750 CD GLU A 47 5.233 5.958 -6.366 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.811 5.060 -5.803 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.656 6.495 -7.362 1.00 0.00 O ATOM 0 H GLU A 47 3.285 7.764 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 47 1.434 6.237 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.278 5.743 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.420 4.597 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.149 6.337 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.999 7.488 -5.553 1.00 0.00 H new ATOM 759 N ILE A 48 2.238 5.020 -1.792 1.00 0.00 N ATOM 760 CA ILE A 48 1.868 4.030 -0.788 1.00 0.00 C ATOM 761 C ILE A 48 0.518 4.357 -0.161 1.00 0.00 C ATOM 762 O ILE A 48 -0.177 3.472 0.335 1.00 0.00 O ATOM 763 CB ILE A 48 2.938 3.940 0.315 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.038 5.267 1.071 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.286 3.561 -0.281 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.912 5.204 2.303 1.00 0.00 C ATOM 0 H ILE A 48 2.971 5.665 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 48 1.795 3.067 -1.294 1.00 0.00 H new ATOM 0 HB ILE A 48 2.644 3.163 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.430 6.029 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.037 5.584 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.031 3.502 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.206 2.593 -0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.588 4.316 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.933 6.182 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.510 4.466 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.924 4.918 2.017 1.00 0.00 H new ATOM 778 N SER A 49 0.155 5.636 -0.188 1.00 0.00 N ATOM 779 CA SER A 49 -1.152 6.069 0.292 1.00 0.00 C ATOM 780 C SER A 49 -2.260 5.642 -0.662 1.00 0.00 C ATOM 781 O SER A 49 -3.339 5.236 -0.234 1.00 0.00 O ATOM 782 CB SER A 49 -1.171 7.575 0.463 1.00 0.00 C ATOM 783 OG SER A 49 -0.318 7.975 1.501 1.00 0.00 O ATOM 0 H SER A 49 0.747 6.390 -0.537 1.00 0.00 H new ATOM 0 HA SER A 49 -1.331 5.593 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.866 8.054 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.187 7.907 0.674 1.00 0.00 H new ATOM 0 HG SER A 49 0.581 8.130 1.144 1.00 0.00 H new ATOM 789 N GLU A 50 -1.985 5.739 -1.959 1.00 0.00 N ATOM 790 CA GLU A 50 -2.885 5.203 -2.973 1.00 0.00 C ATOM 791 C GLU A 50 -2.992 3.687 -2.870 1.00 0.00 C ATOM 792 O GLU A 50 -4.086 3.126 -2.931 1.00 0.00 O ATOM 793 CB GLU A 50 -2.406 5.596 -4.372 1.00 0.00 C ATOM 794 CG GLU A 50 -3.323 5.147 -5.501 1.00 0.00 C ATOM 795 CD GLU A 50 -2.896 5.668 -6.844 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.735 5.568 -7.158 1.00 0.00 O ATOM 797 OE2 GLU A 50 -3.734 6.168 -7.559 1.00 0.00 O ATOM 0 H GLU A 50 -1.146 6.184 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.873 5.629 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.301 6.680 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.415 5.173 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.348 4.058 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.339 5.483 -5.293 1.00 0.00 H new ATOM 804 N ALA A 51 -1.849 3.029 -2.713 1.00 0.00 N ATOM 805 CA ALA A 51 -1.819 1.587 -2.493 1.00 0.00 C ATOM 806 C ALA A 51 -2.646 1.201 -1.272 1.00 0.00 C ATOM 807 O ALA A 51 -3.407 0.234 -1.307 1.00 0.00 O ATOM 808 CB ALA A 51 -0.385 1.105 -2.333 1.00 0.00 C ATOM 0 H ALA A 51 -0.930 3.471 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.258 1.104 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.379 0.027 -2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.180 1.338 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.073 1.604 -1.479 1.00 0.00 H new ATOM 814 N PHE A 52 -2.492 1.961 -0.194 1.00 0.00 N ATOM 815 CA PHE A 52 -3.246 1.717 1.030 1.00 0.00 C ATOM 816 C PHE A 52 -4.745 1.807 0.780 1.00 0.00 C ATOM 817 O PHE A 52 -5.495 0.886 1.105 1.00 0.00 O ATOM 818 CB PHE A 52 -2.843 2.718 2.114 1.00 0.00 C ATOM 819 CG PHE A 52 -3.698 2.652 3.348 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.665 1.538 4.174 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.537 3.703 3.686 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.451 1.477 5.308 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.323 3.644 4.820 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.280 2.529 5.633 1.00 0.00 C ATOM 0 H PHE A 52 -1.851 2.753 -0.143 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.012 0.707 1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.805 2.539 2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.893 3.726 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.018 0.709 3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.576 4.578 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.416 0.603 5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.972 4.470 5.071 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.894 2.481 6.520 1.00 0.00 H new ATOM 834 N GLU A 53 -5.177 2.923 0.201 1.00 0.00 N ATOM 835 CA GLU A 53 -6.593 3.150 -0.061 1.00 0.00 C ATOM 836 C GLU A 53 -7.224 1.951 -0.760 1.00 0.00 C ATOM 837 O GLU A 53 -8.277 1.464 -0.346 1.00 0.00 O ATOM 838 CB GLU A 53 -6.783 4.408 -0.913 1.00 0.00 C ATOM 839 CG GLU A 53 -8.203 4.615 -1.420 1.00 0.00 C ATOM 840 CD GLU A 53 -9.186 4.877 -0.312 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.780 5.367 0.714 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.346 4.585 -0.493 1.00 0.00 O ATOM 0 H GLU A 53 -4.566 3.684 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.091 3.289 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.490 5.278 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.109 4.359 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.216 5.453 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.517 3.732 -1.977 1.00 0.00 H new ATOM 849 N ILE A 54 -6.575 1.482 -1.819 1.00 0.00 N ATOM 850 CA ILE A 54 -7.081 0.352 -2.588 1.00 0.00 C ATOM 851 C ILE A 54 -7.052 -0.931 -1.766 1.00 0.00 C ATOM 852 O ILE A 54 -8.002 -1.714 -1.787 1.00 0.00 O ATOM 853 CB ILE A 54 -6.262 0.154 -3.876 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.510 1.310 -4.850 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.608 -1.176 -4.528 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.555 1.340 -6.020 1.00 0.00 C ATOM 0 H ILE A 54 -5.696 1.867 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.114 0.577 -2.853 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.204 0.144 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.530 1.241 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.434 2.252 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.020 -1.299 -5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.384 -1.989 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.669 -1.194 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.795 2.186 -6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.533 1.441 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.647 0.414 -6.588 1.00 0.00 H new ATOM 868 N LEU A 55 -5.958 -1.140 -1.044 1.00 0.00 N ATOM 869 CA LEU A 55 -5.750 -2.384 -0.311 1.00 0.00 C ATOM 870 C LEU A 55 -6.369 -2.314 1.079 1.00 0.00 C ATOM 871 O LEU A 55 -6.382 -3.302 1.814 1.00 0.00 O ATOM 872 CB LEU A 55 -4.250 -2.687 -0.195 1.00 0.00 C ATOM 873 CG LEU A 55 -3.516 -2.926 -1.521 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.036 -3.157 -1.247 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.133 -4.120 -2.234 1.00 0.00 C ATOM 0 H LEU A 55 -5.200 -0.464 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.239 -3.185 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.769 -1.856 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.123 -3.569 0.433 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.614 -2.052 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.514 -3.327 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.616 -2.281 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.917 -4.029 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.612 -4.290 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.044 -5.006 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.186 -3.921 -2.433 1.00 0.00 H new ATOM 887 N ASN A 56 -6.880 -1.141 1.435 1.00 0.00 N ATOM 888 CA ASN A 56 -7.608 -0.971 2.687 1.00 0.00 C ATOM 889 C ASN A 56 -9.049 -1.445 2.555 1.00 0.00 C ATOM 890 O ASN A 56 -9.496 -2.317 3.302 1.00 0.00 O ATOM 891 CB ASN A 56 -7.561 0.478 3.139 1.00 0.00 C ATOM 892 CG ASN A 56 -8.241 0.693 4.462 1.00 0.00 C ATOM 893 OD1 ASN A 56 -7.910 0.038 5.458 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.186 1.598 4.494 1.00 0.00 N ATOM 0 H ASN A 56 -6.804 -0.293 0.874 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.122 -1.586 3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.522 0.798 3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.035 1.106 2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.682 1.787 5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.426 2.115 3.648 1.00 0.00 H new ATOM 901 N ASP A 57 -9.773 -0.866 1.604 1.00 0.00 N ATOM 902 CA ASP A 57 -11.129 -1.309 1.297 1.00 0.00 C ATOM 903 C ASP A 57 -11.132 -2.725 0.735 1.00 0.00 C ATOM 904 O ASP A 57 -10.577 -2.981 -0.333 1.00 0.00 O ATOM 905 CB ASP A 57 -11.790 -0.356 0.298 1.00 0.00 C ATOM 906 CG ASP A 57 -13.246 -0.704 0.023 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.648 -1.795 0.350 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.944 0.123 -0.513 1.00 0.00 O ATOM 0 H ASP A 57 -9.444 -0.088 1.032 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.697 -1.305 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.731 0.663 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.233 -0.376 -0.639 1.00 0.00 H new ATOM 913 N PRO A 58 -11.759 -3.642 1.464 1.00 0.00 N ATOM 914 CA PRO A 58 -11.804 -5.043 1.059 1.00 0.00 C ATOM 915 C PRO A 58 -12.289 -5.186 -0.379 1.00 0.00 C ATOM 916 O PRO A 58 -11.818 -6.047 -1.120 1.00 0.00 O ATOM 917 CB PRO A 58 -12.794 -5.658 2.053 1.00 0.00 C ATOM 918 CG PRO A 58 -12.617 -4.849 3.292 1.00 0.00 C ATOM 919 CD PRO A 58 -12.412 -3.442 2.797 1.00 0.00 C ATOM 0 HA PRO A 58 -10.828 -5.529 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.818 -5.601 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.578 -6.711 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.491 -4.919 3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.762 -5.194 3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.356 -2.905 2.707 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.781 -2.865 3.473 1.00 0.00 H new ATOM 927 N GLN A 59 -13.232 -4.335 -0.766 1.00 0.00 N ATOM 928 CA GLN A 59 -13.809 -4.387 -2.105 1.00 0.00 C ATOM 929 C GLN A 59 -12.788 -3.979 -3.160 1.00 0.00 C ATOM 930 O GLN A 59 -12.654 -4.634 -4.194 1.00 0.00 O ATOM 931 CB GLN A 59 -15.041 -3.483 -2.193 1.00 0.00 C ATOM 932 CG GLN A 59 -15.754 -3.533 -3.534 1.00 0.00 C ATOM 933 CD GLN A 59 -16.336 -4.904 -3.830 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.043 -5.486 -3.002 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.041 -5.427 -5.014 1.00 0.00 N ATOM 0 H GLN A 59 -13.614 -3.600 -0.171 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.109 -5.417 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.743 -3.767 -1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.739 -2.455 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.553 -2.792 -3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.055 -3.260 -4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.453 -4.910 -5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.403 -6.346 -5.270 1.00 0.00 H new ATOM 944 N LYS A 60 -12.069 -2.894 -2.893 1.00 0.00 N ATOM 945 CA LYS A 60 -11.057 -2.399 -3.818 1.00 0.00 C ATOM 946 C LYS A 60 -9.875 -3.356 -3.905 1.00 0.00 C ATOM 947 O LYS A 60 -9.301 -3.552 -4.976 1.00 0.00 O ATOM 948 CB LYS A 60 -10.580 -1.009 -3.394 1.00 0.00 C ATOM 949 CG LYS A 60 -11.615 0.093 -3.570 1.00 0.00 C ATOM 950 CD LYS A 60 -11.056 1.448 -3.163 1.00 0.00 C ATOM 951 CE LYS A 60 -12.105 2.543 -3.289 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.549 3.886 -2.971 1.00 0.00 N ATOM 0 H LYS A 60 -12.169 -2.340 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.512 -2.331 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.280 -1.045 -2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.692 -0.752 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.938 0.128 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.496 -0.134 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.698 1.401 -2.134 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.197 1.691 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.505 2.547 -4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.937 2.327 -2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.300 4.601 -3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.175 3.886 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.783 4.111 -3.637 1.00 0.00 H new ATOM 966 N ARG A 61 -9.515 -3.948 -2.772 1.00 0.00 N ATOM 967 CA ARG A 61 -8.438 -4.929 -2.729 1.00 0.00 C ATOM 968 C ARG A 61 -8.747 -6.127 -3.616 1.00 0.00 C ATOM 969 O ARG A 61 -7.903 -6.570 -4.394 1.00 0.00 O ATOM 970 CB ARG A 61 -8.202 -5.404 -1.302 1.00 0.00 C ATOM 971 CG ARG A 61 -7.112 -6.452 -1.150 1.00 0.00 C ATOM 972 CD ARG A 61 -7.047 -6.979 0.238 1.00 0.00 C ATOM 973 NE ARG A 61 -8.331 -7.500 0.680 1.00 0.00 N ATOM 974 CZ ARG A 61 -8.936 -8.584 0.159 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.364 -9.249 -0.821 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.105 -8.978 0.632 1.00 0.00 N ATOM 0 H ARG A 61 -9.954 -3.765 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.537 -4.441 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.946 -4.542 -0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.134 -5.811 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.297 -7.273 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.149 -6.018 -1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.297 -7.768 0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.725 -6.186 0.913 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.806 -7.010 1.438 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.462 -8.943 -1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.822 -10.070 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.548 -8.461 1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.564 -9.799 0.238 1.00 0.00 H new ATOM 990 N GLU A 62 -9.963 -6.650 -3.493 1.00 0.00 N ATOM 991 CA GLU A 62 -10.392 -7.787 -4.297 1.00 0.00 C ATOM 992 C GLU A 62 -10.377 -7.450 -5.783 1.00 0.00 C ATOM 993 O GLU A 62 -9.975 -8.268 -6.611 1.00 0.00 O ATOM 994 CB GLU A 62 -11.796 -8.235 -3.881 1.00 0.00 C ATOM 995 CG GLU A 62 -11.847 -8.994 -2.562 1.00 0.00 C ATOM 996 CD GLU A 62 -11.195 -10.346 -2.640 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.257 -10.956 -3.680 1.00 0.00 O ATOM 998 OE2 GLU A 62 -10.634 -10.771 -1.656 1.00 0.00 O ATOM 0 H GLU A 62 -10.669 -6.303 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.688 -8.601 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.438 -7.357 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.211 -8.867 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.355 -8.403 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.887 -9.115 -2.258 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.817 -6.241 -6.114 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.779 -5.763 -7.491 1.00 0.00 C ATOM 1007 C ILE A 63 -9.349 -5.688 -8.008 1.00 0.00 C ATOM 1008 O ILE A 63 -9.067 -6.071 -9.144 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.441 -4.378 -7.611 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.946 -4.481 -7.345 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -11.179 -3.780 -8.983 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.623 -3.145 -7.144 1.00 0.00 C ATOM 0 H ILE A 63 -11.204 -5.574 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.335 -6.478 -8.097 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.004 -3.718 -6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.419 -4.995 -8.182 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.108 -5.097 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.654 -2.801 -9.050 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.105 -3.673 -9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.590 -4.436 -9.750 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.686 -3.300 -6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.178 -2.637 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.494 -2.534 -8.037 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.445 -5.194 -7.168 1.00 0.00 N ATOM 1025 CA TYR A 64 -7.026 -5.166 -7.497 1.00 0.00 C ATOM 1026 C TYR A 64 -6.482 -6.574 -7.705 1.00 0.00 C ATOM 1027 O TYR A 64 -5.814 -6.853 -8.701 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.235 -4.449 -6.400 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.739 -4.457 -6.621 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.188 -3.727 -7.666 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.917 -5.192 -5.782 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.822 -3.735 -7.868 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.551 -5.201 -5.984 1.00 0.00 C ATOM 1034 CZ TYR A 64 -2.003 -4.475 -7.022 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.642 -4.482 -7.223 1.00 0.00 O ATOM 0 H TYR A 64 -8.672 -4.807 -6.252 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.910 -4.616 -8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.578 -3.416 -6.334 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.454 -4.919 -5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.828 -3.153 -8.320 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.345 -5.759 -4.969 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.391 -3.168 -8.680 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.912 -5.776 -5.330 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.450 -4.315 -8.169 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.770 -7.460 -6.757 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.236 -8.816 -6.788 1.00 0.00 C ATOM 1047 C ASP A 65 -6.735 -9.578 -8.008 1.00 0.00 C ATOM 1048 O ASP A 65 -6.021 -10.408 -8.569 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.621 -9.573 -5.513 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.990 -8.983 -4.259 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -5.064 -8.217 -4.388 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.442 -9.301 -3.185 1.00 0.00 O ATOM 0 H ASP A 65 -7.371 -7.262 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.150 -8.742 -6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.706 -9.565 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.318 -10.615 -5.610 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.967 -9.290 -8.415 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.615 -10.041 -9.485 1.00 0.00 C ATOM 1059 C GLN A 66 -8.345 -9.406 -10.844 1.00 0.00 C ATOM 1060 O GLN A 66 -8.075 -10.102 -11.822 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.123 -10.130 -9.239 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.508 -10.974 -8.037 1.00 0.00 C ATOM 1063 CD GLN A 66 -12.002 -10.953 -7.770 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.813 -10.931 -8.700 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.374 -10.960 -6.496 1.00 0.00 N ATOM 0 H GLN A 66 -8.537 -8.542 -8.020 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.196 -11.047 -9.488 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.518 -9.123 -9.103 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.601 -10.543 -10.127 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.185 -12.002 -8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.979 -10.610 -7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.669 -10.978 -5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.365 -10.947 -6.254 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.422 -8.080 -10.898 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.447 -7.365 -12.167 1.00 0.00 C ATOM 1076 C TYR A 67 -7.182 -6.538 -12.360 1.00 0.00 C ATOM 1077 O TYR A 67 -6.573 -6.558 -13.429 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.685 -6.469 -12.253 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.992 -7.228 -12.204 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.426 -7.937 -13.314 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.759 -7.214 -11.047 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.620 -8.629 -13.270 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.953 -7.907 -11.001 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.384 -8.612 -12.108 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.574 -9.302 -12.063 1.00 0.00 O ATOM 0 H TYR A 67 -8.468 -7.479 -10.075 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.492 -8.105 -12.966 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.661 -5.752 -11.432 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.643 -5.895 -13.179 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.829 -7.948 -14.214 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.422 -6.661 -10.183 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.959 -9.181 -14.134 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.549 -7.898 -10.100 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.984 -9.189 -11.180 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.792 -5.812 -11.318 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.526 -5.089 -11.320 1.00 0.00 C ATOM 1097 C GLY A 68 -5.717 -3.645 -10.876 1.00 0.00 C ATOM 1098 O GLY A 68 -6.824 -3.232 -10.528 1.00 0.00 O ATOM 0 H GLY A 68 -7.335 -5.709 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.819 -5.586 -10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.093 -5.111 -12.320 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.632 -2.878 -10.888 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.649 -1.517 -10.369 1.00 0.00 C ATOM 1104 C LEU A 69 -5.679 -0.662 -11.095 1.00 0.00 C ATOM 1105 O LEU A 69 -6.498 0.011 -10.466 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.261 -0.879 -10.503 1.00 0.00 C ATOM 1107 CG LEU A 69 -3.091 0.495 -9.844 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -1.622 0.725 -9.516 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -3.619 1.576 -10.778 1.00 0.00 C ATOM 0 H LEU A 69 -3.728 -3.178 -11.253 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.924 -1.566 -9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.526 -1.560 -10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.027 -0.784 -11.563 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.660 0.535 -8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.502 1.702 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.276 -0.050 -8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.034 0.688 -10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.498 2.553 -10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.062 1.551 -11.715 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.675 1.399 -10.979 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.636 -0.693 -12.422 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.498 0.154 -13.238 1.00 0.00 C ATOM 1123 C GLU A 70 -7.966 -0.046 -12.877 1.00 0.00 C ATOM 1124 O GLU A 70 -8.735 0.913 -12.815 1.00 0.00 O ATOM 1125 CB GLU A 70 -6.284 -0.141 -14.724 1.00 0.00 C ATOM 1126 CG GLU A 70 -4.926 0.289 -15.260 1.00 0.00 C ATOM 1127 CD GLU A 70 -4.731 -0.061 -16.709 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.584 -0.711 -17.263 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -3.727 0.322 -17.262 1.00 0.00 O ATOM 0 H GLU A 70 -5.012 -1.297 -12.957 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.232 1.192 -13.037 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.405 -1.211 -14.891 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.063 0.361 -15.298 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.816 1.366 -15.134 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.142 -0.183 -14.669 1.00 0.00 H new ATOM 1136 N ALA A 71 -8.346 -1.298 -12.641 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.725 -1.626 -12.298 1.00 0.00 C ATOM 1138 C ALA A 71 -10.107 -1.054 -10.939 1.00 0.00 C ATOM 1139 O ALA A 71 -11.179 -0.472 -10.778 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.929 -3.134 -12.314 1.00 0.00 C ATOM 0 H ALA A 71 -7.719 -2.101 -12.681 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.375 -1.174 -13.047 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.963 -3.364 -12.056 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.709 -3.520 -13.309 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.262 -3.599 -11.588 1.00 0.00 H new ATOM 1146 N ALA A 72 -9.222 -1.224 -9.962 1.00 0.00 N ATOM 1147 CA ALA A 72 -9.468 -0.734 -8.611 1.00 0.00 C ATOM 1148 C ALA A 72 -9.472 0.789 -8.570 1.00 0.00 C ATOM 1149 O ALA A 72 -10.285 1.398 -7.874 1.00 0.00 O ATOM 1150 CB ALA A 72 -8.426 -1.285 -7.650 1.00 0.00 C ATOM 0 H ALA A 72 -8.327 -1.698 -10.081 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.453 -1.083 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.623 -0.910 -6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.474 -2.374 -7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.433 -0.966 -7.968 1.00 0.00 H new ATOM 1156 N ARG A 73 -8.562 1.399 -9.320 1.00 0.00 N ATOM 1157 CA ARG A 73 -8.434 2.851 -9.342 1.00 0.00 C ATOM 1158 C ARG A 73 -9.616 3.498 -10.051 1.00 0.00 C ATOM 1159 O ARG A 73 -10.161 4.498 -9.583 1.00 0.00 O ATOM 1160 CB ARG A 73 -7.143 3.265 -10.034 1.00 0.00 C ATOM 1161 CG ARG A 73 -6.762 4.726 -9.857 1.00 0.00 C ATOM 1162 CD ARG A 73 -5.446 5.030 -10.474 1.00 0.00 C ATOM 1163 NE ARG A 73 -4.958 6.344 -10.091 1.00 0.00 N ATOM 1164 CZ ARG A 73 -5.244 7.488 -10.746 1.00 0.00 C ATOM 1165 NH1 ARG A 73 -6.014 7.460 -11.811 1.00 0.00 N ATOM 1166 NH2 ARG A 73 -4.749 8.636 -10.318 1.00 0.00 N ATOM 0 H ARG A 73 -7.900 0.909 -9.922 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.416 3.193 -8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.330 2.644 -9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.236 3.055 -11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.528 5.359 -10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.730 4.967 -8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.721 4.272 -10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.533 4.977 -11.559 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.357 6.406 -9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.395 6.573 -12.142 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.231 8.325 -12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.151 8.657 -9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.965 9.501 -10.813 1.00 0.00 H new ATOM 1180 N SER A 74 -10.008 2.922 -11.182 1.00 0.00 N ATOM 1181 CA SER A 74 -11.109 3.459 -11.974 1.00 0.00 C ATOM 1182 C SER A 74 -12.456 3.037 -11.401 1.00 0.00 C ATOM 1183 O SER A 74 -13.445 3.759 -11.519 1.00 0.00 O ATOM 1184 CB SER A 74 -10.993 2.993 -13.412 1.00 0.00 C ATOM 1185 OG SER A 74 -9.840 3.510 -14.015 1.00 0.00 O ATOM 0 H SER A 74 -9.579 2.082 -11.572 1.00 0.00 H new ATOM 0 HA SER A 74 -11.049 4.547 -11.940 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.967 1.904 -13.444 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.873 3.308 -13.972 1.00 0.00 H new ATOM 0 HG SER A 74 -9.089 2.900 -13.861 1.00 0.00 H new ATOM 1191 N GLY A 75 -12.487 1.862 -10.780 1.00 0.00 N ATOM 1192 CA GLY A 75 -13.724 1.316 -10.234 1.00 0.00 C ATOM 1193 C GLY A 75 -14.513 0.568 -11.301 1.00 0.00 C ATOM 1194 O GLY A 75 -15.737 0.682 -11.377 1.00 0.00 O ATOM 0 H GLY A 75 -11.668 1.269 -10.642 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.494 0.642 -9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.333 2.123 -9.827 1.00 0.00 H new ATOM 1198 N GLY A 76 -13.806 -0.197 -12.125 1.00 0.00 N ATOM 1199 CA GLY A 76 -14.436 -0.946 -13.207 1.00 0.00 C ATOM 1200 C GLY A 76 -13.609 -2.169 -13.585 1.00 0.00 C ATOM 1201 O GLY A 76 -12.395 -2.079 -13.762 1.00 0.00 O ATOM 0 H GLY A 76 -12.795 -0.315 -12.065 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.435 -1.259 -12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.555 -0.301 -14.078 1.00 0.00 H new ATOM 1205 N PRO A 77 -14.276 -3.312 -13.707 1.00 0.00 N ATOM 1206 CA PRO A 77 -13.597 -4.566 -14.009 1.00 0.00 C ATOM 1207 C PRO A 77 -13.168 -4.624 -15.470 1.00 0.00 C ATOM 1208 O PRO A 77 -12.434 -5.526 -15.875 1.00 0.00 O ATOM 1209 CB PRO A 77 -14.662 -5.619 -13.690 1.00 0.00 C ATOM 1210 CG PRO A 77 -15.954 -4.919 -13.933 1.00 0.00 C ATOM 1211 CD PRO A 77 -15.716 -3.513 -13.447 1.00 0.00 C ATOM 0 HA PRO A 77 -12.677 -4.707 -13.441 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -14.558 -6.496 -14.329 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -14.584 -5.964 -12.659 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.221 -4.934 -14.990 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.771 -5.394 -13.390 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -16.328 -2.790 -13.986 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -15.954 -3.406 -12.389 1.00 0.00 H new ATOM 1219 N SER A 78 -13.631 -3.657 -16.254 1.00 0.00 N ATOM 1220 CA SER A 78 -13.279 -3.584 -17.667 1.00 0.00 C ATOM 1221 C SER A 78 -11.864 -3.052 -17.857 1.00 0.00 C ATOM 1222 O SER A 78 -11.331 -3.062 -18.966 1.00 0.00 O ATOM 1223 CB SER A 78 -14.265 -2.700 -18.406 1.00 0.00 C ATOM 1224 OG SER A 78 -14.152 -1.366 -17.989 1.00 0.00 O ATOM 0 H SER A 78 -14.251 -2.913 -15.935 1.00 0.00 H new ATOM 0 HA SER A 78 -13.321 -4.594 -18.076 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.085 -2.766 -19.479 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.280 -3.055 -18.230 1.00 0.00 H new ATOM 0 HG SER A 78 -14.796 -0.814 -18.480 1.00 0.00 H new ATOM 1230 N PHE A 79 -11.262 -2.588 -16.768 1.00 0.00 N ATOM 1231 CA PHE A 79 -9.903 -2.061 -16.809 1.00 0.00 C ATOM 1232 C PHE A 79 -8.902 -3.077 -16.273 1.00 0.00 C ATOM 1233 O PHE A 79 -9.283 -4.082 -15.673 1.00 0.00 O ATOM 1234 CB PHE A 79 -9.807 -0.766 -15.999 1.00 0.00 C ATOM 1235 CG PHE A 79 -10.661 0.348 -16.533 1.00 0.00 C ATOM 1236 CD1 PHE A 79 -11.953 0.538 -16.064 1.00 0.00 C ATOM 1237 CD2 PHE A 79 -10.178 1.207 -17.509 1.00 0.00 C ATOM 1238 CE1 PHE A 79 -12.739 1.562 -16.554 1.00 0.00 C ATOM 1239 CE2 PHE A 79 -10.962 2.231 -18.001 1.00 0.00 C ATOM 1240 CZ PHE A 79 -12.245 2.410 -17.523 1.00 0.00 C ATOM 0 H PHE A 79 -11.694 -2.566 -15.844 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.660 -1.852 -17.851 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.096 -0.971 -14.968 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.768 -0.437 -15.979 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.348 -0.123 -15.307 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.176 1.073 -17.889 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -13.742 1.699 -16.178 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -10.572 2.893 -18.760 1.00 0.00 H new ATOM 0 HZ PHE A 79 -12.859 3.211 -17.907 1.00 0.00 H new ATOM 1250 N GLY A 80 -7.620 -2.808 -16.495 1.00 0.00 N ATOM 1251 CA GLY A 80 -6.563 -3.722 -16.076 1.00 0.00 C ATOM 1252 C GLY A 80 -6.030 -4.525 -17.255 1.00 0.00 C ATOM 1253 O GLY A 80 -6.595 -4.490 -18.348 1.00 0.00 O ATOM 0 H GLY A 80 -7.287 -1.965 -16.963 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.750 -3.157 -15.620 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.946 -4.401 -15.314 1.00 0.00 H new ATOM 1257 N PRO A 81 -4.940 -5.248 -17.027 1.00 0.00 N ATOM 1258 CA PRO A 81 -4.328 -6.062 -18.070 1.00 0.00 C ATOM 1259 C PRO A 81 -5.316 -7.084 -18.623 1.00 0.00 C ATOM 1260 O PRO A 81 -6.135 -6.748 -19.432 1.00 0.00 O ATOM 1261 CB PRO A 81 -3.164 -6.740 -17.341 1.00 0.00 C ATOM 1262 CG PRO A 81 -2.833 -5.804 -16.230 1.00 0.00 C ATOM 1263 CD PRO A 81 -4.169 -5.277 -15.776 1.00 0.00 C ATOM 1264 OXT PRO A 81 -5.273 -8.222 -18.248 1.00 0.00 O ATOM 0 HA PRO A 81 -4.007 -5.483 -18.936 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.449 -7.722 -16.963 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.312 -6.889 -18.004 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.312 -6.316 -15.421 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.182 -4.998 -16.569 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.629 -5.925 -15.030 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.084 -4.287 -15.328 1.00 0.00 H new TER 1272 PRO A 81