USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1003 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 Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -0.148 (180deg=-1.71!) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.36 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00907 X(o=-0.0091,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 26:sc= 0.619 USER MOD Single : A 45 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.3) USER MOD Single : A 46 ASN : amide:sc= -0.0171 K(o=-0.017,f=-0.89) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.21) USER MOD Single : A 51 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.352) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -56:sc= 0.0177 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.347 K(o=-0.35,f=-3.2!) USER MOD Single : A 63 ASN : amide:sc= -0.0692 X(o=-0.069,f=-0.45) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 119:sc= 1.18 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0642 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 91 ASN : amide:sc= -0.794 K(o=-0.79,f=-4.4!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.2!) USER MOD Single : A 101 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.195) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -160:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0148 K(o=-0.015,f=-4.1!) USER MOD Single : A 114 THR OG1 : rot -100:sc= -1.19 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0704 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot -67:sc= 1.23 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N SER A 6 -11.814 -8.208 -4.859 1.00 0.00 N ATOM 68 CA SER A 6 -11.894 -6.817 -5.274 1.00 0.00 C ATOM 69 C SER A 6 -12.977 -6.095 -4.471 1.00 0.00 C ATOM 70 O SER A 6 -14.149 -6.113 -4.846 1.00 0.00 O ATOM 71 CB SER A 6 -12.179 -6.704 -6.772 1.00 0.00 C ATOM 72 OG SER A 6 -12.703 -5.426 -7.121 1.00 0.00 O ATOM 0 HA SER A 6 -10.931 -6.346 -5.080 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.260 -6.884 -7.330 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.887 -7.479 -7.066 1.00 0.00 H new ATOM 0 HG SER A 6 -12.870 -5.393 -8.086 1.00 0.00 H new ATOM 78 N GLY A 7 -12.547 -5.473 -3.382 1.00 0.00 N ATOM 79 CA GLY A 7 -13.465 -4.745 -2.524 1.00 0.00 C ATOM 80 C GLY A 7 -12.893 -3.378 -2.143 1.00 0.00 C ATOM 81 O GLY A 7 -11.849 -2.975 -2.652 1.00 0.00 O ATOM 0 H GLY A 7 -11.574 -5.459 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.419 -4.614 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.663 -5.325 -1.622 1.00 0.00 H new ATOM 85 N LYS A 8 -13.603 -2.703 -1.251 1.00 0.00 N ATOM 86 CA LYS A 8 -13.178 -1.390 -0.796 1.00 0.00 C ATOM 87 C LYS A 8 -12.833 -1.458 0.693 1.00 0.00 C ATOM 88 O LYS A 8 -13.587 -2.024 1.483 1.00 0.00 O ATOM 89 CB LYS A 8 -14.237 -0.338 -1.134 1.00 0.00 C ATOM 90 CG LYS A 8 -13.707 1.074 -0.875 1.00 0.00 C ATOM 91 CD LYS A 8 -14.734 1.911 -0.107 1.00 0.00 C ATOM 92 CE LYS A 8 -14.747 3.357 -0.609 1.00 0.00 C ATOM 93 NZ LYS A 8 -14.048 4.244 0.348 1.00 0.00 N ATOM 0 H LYS A 8 -14.469 -3.040 -0.831 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.274 -1.079 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.530 -0.434 -2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.131 -0.511 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.778 1.020 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.473 1.558 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.725 1.473 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.500 1.894 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.265 3.414 -1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.775 3.693 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.548 4.992 -0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.742 4.675 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.362 3.689 0.899 1.00 0.00 H new ATOM 106 N TYR A 9 -11.694 -0.873 1.031 1.00 0.00 N ATOM 107 CA TYR A 9 -11.240 -0.859 2.411 1.00 0.00 C ATOM 108 C TYR A 9 -11.052 0.574 2.914 1.00 0.00 C ATOM 109 O TYR A 9 -10.667 1.457 2.149 1.00 0.00 O ATOM 110 CB TYR A 9 -9.885 -1.571 2.416 1.00 0.00 C ATOM 111 CG TYR A 9 -9.983 -3.097 2.375 1.00 0.00 C ATOM 112 CD1 TYR A 9 -10.137 -3.811 3.546 1.00 0.00 C ATOM 113 CD2 TYR A 9 -9.919 -3.760 1.167 1.00 0.00 C ATOM 114 CE1 TYR A 9 -10.230 -5.247 3.508 1.00 0.00 C ATOM 115 CE2 TYR A 9 -10.012 -5.197 1.128 1.00 0.00 C ATOM 116 CZ TYR A 9 -10.162 -5.870 2.301 1.00 0.00 C ATOM 117 OH TYR A 9 -10.250 -7.227 2.264 1.00 0.00 O ATOM 0 H TYR A 9 -11.071 -0.405 0.373 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.970 -1.343 3.059 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.305 -1.231 1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.335 -1.277 3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.188 -3.292 4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.799 -3.202 0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.351 -5.817 4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.964 -5.728 0.189 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.187 -7.534 1.335 1.00 0.00 H new ATOM 127 N GLN A 10 -11.332 0.759 4.195 1.00 0.00 N ATOM 128 CA GLN A 10 -11.199 2.069 4.808 1.00 0.00 C ATOM 129 C GLN A 10 -10.217 2.010 5.981 1.00 0.00 C ATOM 130 O GLN A 10 -10.224 1.052 6.752 1.00 0.00 O ATOM 131 CB GLN A 10 -12.559 2.606 5.258 1.00 0.00 C ATOM 132 CG GLN A 10 -12.547 4.134 5.339 1.00 0.00 C ATOM 133 CD GLN A 10 -13.359 4.626 6.538 1.00 0.00 C ATOM 134 OE1 GLN A 10 -12.892 4.661 7.664 1.00 0.00 O ATOM 135 NE2 GLN A 10 -14.598 5.004 6.234 1.00 0.00 N ATOM 0 H GLN A 10 -11.651 0.023 4.826 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.803 2.758 4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.331 2.282 4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.814 2.189 6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.520 4.489 5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.957 4.554 4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.926 4.949 5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.220 5.349 6.965 1.00 0.00 H new ATOM 144 N LEU A 11 -9.396 3.045 6.078 1.00 0.00 N ATOM 145 CA LEU A 11 -8.412 3.123 7.143 1.00 0.00 C ATOM 146 C LEU A 11 -9.127 3.091 8.496 1.00 0.00 C ATOM 147 O LEU A 11 -10.072 3.845 8.720 1.00 0.00 O ATOM 148 CB LEU A 11 -7.511 4.345 6.952 1.00 0.00 C ATOM 149 CG LEU A 11 -8.128 5.696 7.317 1.00 0.00 C ATOM 150 CD1 LEU A 11 -9.477 5.889 6.620 1.00 0.00 C ATOM 151 CD2 LEU A 11 -8.237 5.858 8.834 1.00 0.00 C ATOM 0 H LEU A 11 -9.392 3.837 5.436 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.748 2.259 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.611 4.205 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.197 4.381 5.909 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.465 6.483 6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.894 6.857 6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.337 5.849 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.161 5.098 6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.679 6.827 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.866 5.066 9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.244 5.797 9.279 1.00 0.00 H new ATOM 163 N GLN A 12 -8.648 2.210 9.362 1.00 0.00 N ATOM 164 CA GLN A 12 -9.228 2.071 10.686 1.00 0.00 C ATOM 165 C GLN A 12 -8.369 2.797 11.722 1.00 0.00 C ATOM 166 O GLN A 12 -8.872 3.618 12.486 1.00 0.00 O ATOM 167 CB GLN A 12 -9.404 0.596 11.055 1.00 0.00 C ATOM 168 CG GLN A 12 -10.694 0.032 10.456 1.00 0.00 C ATOM 169 CD GLN A 12 -11.878 0.248 11.401 1.00 0.00 C ATOM 170 OE1 GLN A 12 -12.515 1.288 11.410 1.00 0.00 O ATOM 171 NE2 GLN A 12 -12.135 -0.790 12.193 1.00 0.00 N ATOM 0 H GLN A 12 -7.864 1.585 9.172 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.216 2.530 10.678 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.550 0.023 10.694 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.425 0.489 12.139 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.896 0.513 9.499 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.572 -1.033 10.258 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.561 -1.631 12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.906 -0.744 12.860 1.00 0.00 H new ATOM 180 N SER A 13 -7.085 2.467 11.716 1.00 0.00 N ATOM 181 CA SER A 13 -6.151 3.077 12.645 1.00 0.00 C ATOM 182 C SER A 13 -4.770 3.197 11.997 1.00 0.00 C ATOM 183 O SER A 13 -4.497 2.553 10.985 1.00 0.00 O ATOM 184 CB SER A 13 -6.060 2.271 13.943 1.00 0.00 C ATOM 185 OG SER A 13 -5.988 3.114 15.090 1.00 0.00 O ATOM 0 H SER A 13 -6.671 1.784 11.081 1.00 0.00 H new ATOM 0 HA SER A 13 -6.517 4.074 12.892 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.929 1.618 14.026 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.181 1.628 13.910 1.00 0.00 H new ATOM 0 HG SER A 13 -5.933 2.563 15.898 1.00 0.00 H new ATOM 191 N GLN A 14 -3.935 4.025 12.606 1.00 0.00 N ATOM 192 CA GLN A 14 -2.589 4.237 12.101 1.00 0.00 C ATOM 193 C GLN A 14 -1.594 4.322 13.260 1.00 0.00 C ATOM 194 O GLN A 14 -1.944 4.767 14.352 1.00 0.00 O ATOM 195 CB GLN A 14 -2.523 5.492 11.228 1.00 0.00 C ATOM 196 CG GLN A 14 -2.759 6.753 12.061 1.00 0.00 C ATOM 197 CD GLN A 14 -3.823 7.643 11.417 1.00 0.00 C ATOM 198 OE1 GLN A 14 -3.721 8.049 10.271 1.00 0.00 O ATOM 199 NE2 GLN A 14 -4.849 7.925 12.216 1.00 0.00 N ATOM 0 H GLN A 14 -4.164 4.558 13.445 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.317 3.385 11.477 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.549 5.550 10.742 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.271 5.429 10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.072 6.475 13.067 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.826 7.308 12.160 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.873 7.553 13.165 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.611 8.513 11.879 1.00 0.00 H new ATOM 208 N GLU A 15 -0.373 3.890 12.983 1.00 0.00 N ATOM 209 CA GLU A 15 0.676 3.913 13.989 1.00 0.00 C ATOM 210 C GLU A 15 1.992 4.391 13.373 1.00 0.00 C ATOM 211 O GLU A 15 2.459 3.828 12.385 1.00 0.00 O ATOM 212 CB GLU A 15 0.842 2.538 14.639 1.00 0.00 C ATOM 213 CG GLU A 15 1.529 2.655 16.001 1.00 0.00 C ATOM 214 CD GLU A 15 1.154 1.479 16.906 1.00 0.00 C ATOM 215 OE1 GLU A 15 0.558 1.684 17.974 1.00 0.00 O ATOM 216 OE2 GLU A 15 1.504 0.318 16.465 1.00 0.00 O ATOM 0 H GLU A 15 -0.086 3.522 12.076 1.00 0.00 H new ATOM 0 HA GLU A 15 0.388 4.616 14.771 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.134 2.068 14.759 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.428 1.892 13.986 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.610 2.684 15.866 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.242 3.592 16.478 1.00 0.00 H new ATOM 224 N ASN A 16 2.553 5.425 13.984 1.00 0.00 N ATOM 225 CA ASN A 16 3.806 5.984 13.508 1.00 0.00 C ATOM 226 C ASN A 16 3.714 6.224 11.999 1.00 0.00 C ATOM 227 O ASN A 16 4.613 5.845 11.250 1.00 0.00 O ATOM 228 CB ASN A 16 4.970 5.025 13.763 1.00 0.00 C ATOM 229 CG ASN A 16 5.476 5.147 15.202 1.00 0.00 C ATOM 230 OD1 ASN A 16 6.186 6.071 15.561 1.00 0.00 O ATOM 231 ND2 ASN A 16 5.072 4.164 16.002 1.00 0.00 N ATOM 0 H ASN A 16 2.162 5.889 14.804 1.00 0.00 H new ATOM 0 HA ASN A 16 3.983 6.917 14.044 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.650 4.001 13.572 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.782 5.240 13.069 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.357 4.154 16.981 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.478 3.420 15.636 1.00 0.00 H new ATOM 238 N PHE A 17 2.617 6.852 11.599 1.00 0.00 N ATOM 239 CA PHE A 17 2.395 7.146 10.193 1.00 0.00 C ATOM 240 C PHE A 17 3.265 8.318 9.735 1.00 0.00 C ATOM 241 O PHE A 17 3.773 8.317 8.614 1.00 0.00 O ATOM 242 CB PHE A 17 0.921 7.531 10.044 1.00 0.00 C ATOM 243 CG PHE A 17 0.555 8.069 8.660 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.440 7.215 7.607 1.00 0.00 C ATOM 245 CD2 PHE A 17 0.345 9.401 8.482 1.00 0.00 C ATOM 246 CE1 PHE A 17 0.100 7.714 6.322 1.00 0.00 C ATOM 247 CE2 PHE A 17 0.005 9.900 7.196 1.00 0.00 C ATOM 248 CZ PHE A 17 -0.110 9.046 6.145 1.00 0.00 C ATOM 0 H PHE A 17 1.873 7.165 12.223 1.00 0.00 H new ATOM 0 HA PHE A 17 2.652 6.278 9.586 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.305 6.658 10.258 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.676 8.285 10.792 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.607 6.157 7.749 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.437 10.079 9.318 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.008 7.037 5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.162 10.957 7.054 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.369 9.426 5.168 1.00 0.00 H new ATOM 258 N GLU A 18 3.408 9.290 10.623 1.00 0.00 N ATOM 259 CA GLU A 18 4.207 10.467 10.323 1.00 0.00 C ATOM 260 C GLU A 18 5.683 10.085 10.191 1.00 0.00 C ATOM 261 O GLU A 18 6.459 10.802 9.560 1.00 0.00 O ATOM 262 CB GLU A 18 4.013 11.547 11.389 1.00 0.00 C ATOM 263 CG GLU A 18 2.547 11.641 11.815 1.00 0.00 C ATOM 264 CD GLU A 18 2.210 13.047 12.316 1.00 0.00 C ATOM 265 OE1 GLU A 18 3.066 13.943 12.270 1.00 0.00 O ATOM 266 OE2 GLU A 18 1.010 13.192 12.763 1.00 0.00 O ATOM 0 H GLU A 18 2.984 9.287 11.551 1.00 0.00 H new ATOM 0 HA GLU A 18 3.871 10.879 9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.634 11.322 12.256 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.345 12.510 11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.903 11.387 10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.346 10.913 12.601 1.00 0.00 H new ATOM 274 N ALA A 19 6.026 8.958 10.795 1.00 0.00 N ATOM 275 CA ALA A 19 7.396 8.473 10.753 1.00 0.00 C ATOM 276 C ALA A 19 7.774 8.154 9.305 1.00 0.00 C ATOM 277 O ALA A 19 8.878 8.470 8.864 1.00 0.00 O ATOM 278 CB ALA A 19 7.536 7.258 11.672 1.00 0.00 C ATOM 0 H ALA A 19 5.380 8.366 11.317 1.00 0.00 H new ATOM 0 HA ALA A 19 8.085 9.236 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.563 6.894 11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.283 7.543 12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.862 6.470 11.338 1.00 0.00 H new ATOM 284 N PHE A 20 6.837 7.531 8.605 1.00 0.00 N ATOM 285 CA PHE A 20 7.059 7.166 7.216 1.00 0.00 C ATOM 286 C PHE A 20 7.223 8.410 6.341 1.00 0.00 C ATOM 287 O PHE A 20 7.889 8.364 5.309 1.00 0.00 O ATOM 288 CB PHE A 20 5.823 6.391 6.755 1.00 0.00 C ATOM 289 CG PHE A 20 6.070 5.488 5.545 1.00 0.00 C ATOM 290 CD1 PHE A 20 6.731 4.309 5.700 1.00 0.00 C ATOM 291 CD2 PHE A 20 5.630 5.862 4.314 1.00 0.00 C ATOM 292 CE1 PHE A 20 6.961 3.470 4.578 1.00 0.00 C ATOM 293 CE2 PHE A 20 5.860 5.024 3.191 1.00 0.00 C ATOM 294 CZ PHE A 20 6.520 3.845 3.348 1.00 0.00 C ATOM 0 H PHE A 20 5.923 7.270 8.974 1.00 0.00 H new ATOM 0 HA PHE A 20 7.968 6.572 7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.460 5.781 7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.032 7.100 6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.081 4.011 6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.105 6.798 4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.486 2.534 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.511 5.322 2.213 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.694 3.206 2.495 1.00 0.00 H new ATOM 304 N MET A 21 6.603 9.493 6.787 1.00 0.00 N ATOM 305 CA MET A 21 6.671 10.748 6.058 1.00 0.00 C ATOM 306 C MET A 21 7.972 11.492 6.367 1.00 0.00 C ATOM 307 O MET A 21 8.545 12.139 5.492 1.00 0.00 O ATOM 308 CB MET A 21 5.478 11.626 6.439 1.00 0.00 C ATOM 309 CG MET A 21 4.348 11.489 5.416 1.00 0.00 C ATOM 310 SD MET A 21 3.795 9.793 5.341 1.00 0.00 S ATOM 311 CE MET A 21 3.287 9.707 3.633 1.00 0.00 C ATOM 0 H MET A 21 6.051 9.527 7.644 1.00 0.00 H new ATOM 0 HA MET A 21 6.645 10.528 4.991 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.115 11.344 7.427 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.793 12.668 6.501 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.517 12.139 5.690 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.694 11.811 4.434 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.912 8.707 3.415 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.499 10.438 3.450 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.139 9.923 2.989 1.00 0.00 H new ATOM 321 N LYS A 22 8.400 11.375 7.616 1.00 0.00 N ATOM 322 CA LYS A 22 9.623 12.028 8.053 1.00 0.00 C ATOM 323 C LYS A 22 10.823 11.351 7.389 1.00 0.00 C ATOM 324 O LYS A 22 11.859 11.979 7.183 1.00 0.00 O ATOM 325 CB LYS A 22 9.699 12.056 9.581 1.00 0.00 C ATOM 326 CG LYS A 22 10.989 12.729 10.053 1.00 0.00 C ATOM 327 CD LYS A 22 10.717 14.154 10.540 1.00 0.00 C ATOM 328 CE LYS A 22 10.803 14.237 12.065 1.00 0.00 C ATOM 329 NZ LYS A 22 11.727 15.319 12.474 1.00 0.00 N ATOM 0 H LYS A 22 7.922 10.838 8.339 1.00 0.00 H new ATOM 0 HA LYS A 22 9.631 13.071 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.838 12.591 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.652 11.039 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.435 12.145 10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.711 12.751 9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.438 14.839 10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.728 14.473 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.812 14.420 12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.148 13.285 12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.774 15.362 13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.675 15.128 12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.382 16.228 12.105 1.00 0.00 H new ATOM 342 N ALA A 23 10.643 10.076 7.073 1.00 0.00 N ATOM 343 CA ALA A 23 11.698 9.307 6.436 1.00 0.00 C ATOM 344 C ALA A 23 11.956 9.865 5.035 1.00 0.00 C ATOM 345 O ALA A 23 13.098 9.906 4.580 1.00 0.00 O ATOM 346 CB ALA A 23 11.307 7.828 6.411 1.00 0.00 C ATOM 0 H ALA A 23 9.782 9.557 7.247 1.00 0.00 H new ATOM 0 HA ALA A 23 12.627 9.390 7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.098 7.250 5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.164 7.472 7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.380 7.706 5.851 1.00 0.00 H new ATOM 352 N ILE A 24 10.876 10.281 4.390 1.00 0.00 N ATOM 353 CA ILE A 24 10.971 10.836 3.050 1.00 0.00 C ATOM 354 C ILE A 24 11.266 12.334 3.142 1.00 0.00 C ATOM 355 O ILE A 24 11.803 12.923 2.205 1.00 0.00 O ATOM 356 CB ILE A 24 9.714 10.504 2.242 1.00 0.00 C ATOM 357 CG1 ILE A 24 8.465 11.078 2.914 1.00 0.00 C ATOM 358 CG2 ILE A 24 9.597 8.998 2.004 1.00 0.00 C ATOM 359 CD1 ILE A 24 7.251 10.977 1.990 1.00 0.00 C ATOM 0 H ILE A 24 9.930 10.245 4.770 1.00 0.00 H new ATOM 0 HA ILE A 24 11.800 10.381 2.507 1.00 0.00 H new ATOM 0 HB ILE A 24 9.800 10.977 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.267 10.540 3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.638 12.121 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.695 8.790 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.469 8.648 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.543 8.481 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.377 11.392 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.443 11.536 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.066 9.931 1.745 1.00 0.00 H new ATOM 371 N GLY A 25 10.903 12.907 4.279 1.00 0.00 N ATOM 372 CA GLY A 25 11.123 14.325 4.507 1.00 0.00 C ATOM 373 C GLY A 25 9.840 15.124 4.264 1.00 0.00 C ATOM 374 O GLY A 25 9.865 16.158 3.598 1.00 0.00 O ATOM 0 H GLY A 25 10.457 12.415 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.467 14.484 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.911 14.686 3.846 1.00 0.00 H new ATOM 378 N LEU A 26 8.750 14.614 4.818 1.00 0.00 N ATOM 379 CA LEU A 26 7.460 15.266 4.671 1.00 0.00 C ATOM 380 C LEU A 26 7.245 16.232 5.838 1.00 0.00 C ATOM 381 O LEU A 26 7.547 15.901 6.984 1.00 0.00 O ATOM 382 CB LEU A 26 6.348 14.227 4.518 1.00 0.00 C ATOM 383 CG LEU A 26 5.764 14.069 3.112 1.00 0.00 C ATOM 384 CD1 LEU A 26 4.565 14.997 2.910 1.00 0.00 C ATOM 385 CD2 LEU A 26 6.841 14.282 2.045 1.00 0.00 C ATOM 0 H LEU A 26 8.734 13.756 5.370 1.00 0.00 H new ATOM 0 HA LEU A 26 7.436 15.860 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.735 13.260 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.538 14.488 5.199 1.00 0.00 H new ATOM 0 HG LEU A 26 5.401 13.047 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.169 14.865 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.791 14.756 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.879 16.032 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.401 14.164 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.255 15.286 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.635 13.548 2.178 1.00 0.00 H new ATOM 397 N PRO A 27 6.711 17.435 5.498 1.00 0.00 N ATOM 398 CA PRO A 27 6.451 18.450 6.506 1.00 0.00 C ATOM 399 C PRO A 27 5.215 18.095 7.335 1.00 0.00 C ATOM 400 O PRO A 27 4.502 17.145 7.018 1.00 0.00 O ATOM 401 CB PRO A 27 6.292 19.745 5.728 1.00 0.00 C ATOM 402 CG PRO A 27 6.007 19.336 4.291 1.00 0.00 C ATOM 403 CD PRO A 27 6.340 17.860 4.152 1.00 0.00 C ATOM 0 HA PRO A 27 7.257 18.535 7.235 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.477 20.346 6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.196 20.351 5.790 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.961 19.516 4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.605 19.929 3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.486 17.295 3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.157 17.703 3.448 1.00 0.00 H new ATOM 411 N GLU A 28 5.000 18.879 8.382 1.00 0.00 N ATOM 412 CA GLU A 28 3.863 18.660 9.259 1.00 0.00 C ATOM 413 C GLU A 28 2.576 19.148 8.591 1.00 0.00 C ATOM 414 O GLU A 28 1.501 18.600 8.832 1.00 0.00 O ATOM 415 CB GLU A 28 4.072 19.345 10.611 1.00 0.00 C ATOM 416 CG GLU A 28 2.744 19.524 11.347 1.00 0.00 C ATOM 417 CD GLU A 28 2.924 19.345 12.856 1.00 0.00 C ATOM 418 OE1 GLU A 28 3.828 18.615 13.290 1.00 0.00 O ATOM 419 OE2 GLU A 28 2.085 19.997 13.587 1.00 0.00 O ATOM 0 H GLU A 28 5.594 19.666 8.642 1.00 0.00 H new ATOM 0 HA GLU A 28 3.772 17.589 9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.753 18.752 11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.542 20.317 10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.341 20.515 11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.018 18.801 10.976 1.00 0.00 H new ATOM 427 N GLU A 29 2.726 20.173 7.766 1.00 0.00 N ATOM 428 CA GLU A 29 1.590 20.741 7.062 1.00 0.00 C ATOM 429 C GLU A 29 0.960 19.695 6.138 1.00 0.00 C ATOM 430 O GLU A 29 -0.257 19.526 6.126 1.00 0.00 O ATOM 431 CB GLU A 29 1.998 21.989 6.277 1.00 0.00 C ATOM 432 CG GLU A 29 0.986 22.298 5.172 1.00 0.00 C ATOM 433 CD GLU A 29 0.791 23.808 5.013 1.00 0.00 C ATOM 434 OE1 GLU A 29 1.777 24.559 4.971 1.00 0.00 O ATOM 435 OE2 GLU A 29 -0.436 24.194 4.932 1.00 0.00 O ATOM 0 H GLU A 29 3.619 20.625 7.569 1.00 0.00 H new ATOM 0 HA GLU A 29 0.846 21.043 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.074 22.840 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.985 21.841 5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.329 21.871 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.031 21.827 5.406 1.00 0.00 H new ATOM 443 N LEU A 30 1.820 19.021 5.389 1.00 0.00 N ATOM 444 CA LEU A 30 1.364 17.997 4.465 1.00 0.00 C ATOM 445 C LEU A 30 0.899 16.772 5.256 1.00 0.00 C ATOM 446 O LEU A 30 -0.066 16.112 4.876 1.00 0.00 O ATOM 447 CB LEU A 30 2.449 17.686 3.432 1.00 0.00 C ATOM 448 CG LEU A 30 2.498 18.609 2.213 1.00 0.00 C ATOM 449 CD1 LEU A 30 3.736 18.324 1.359 1.00 0.00 C ATOM 450 CD2 LEU A 30 1.207 18.515 1.399 1.00 0.00 C ATOM 0 H LEU A 30 2.830 19.164 5.403 1.00 0.00 H new ATOM 0 HA LEU A 30 0.506 18.353 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.418 17.722 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.308 16.663 3.083 1.00 0.00 H new ATOM 0 HG LEU A 30 2.580 19.637 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.747 18.994 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.634 18.485 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.710 17.290 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.270 19.182 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.068 17.490 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.362 18.806 2.023 1.00 0.00 H new ATOM 462 N ILE A 31 1.608 16.506 6.344 1.00 0.00 N ATOM 463 CA ILE A 31 1.280 15.374 7.192 1.00 0.00 C ATOM 464 C ILE A 31 -0.067 15.624 7.872 1.00 0.00 C ATOM 465 O ILE A 31 -0.913 14.732 7.930 1.00 0.00 O ATOM 466 CB ILE A 31 2.420 15.091 8.173 1.00 0.00 C ATOM 467 CG1 ILE A 31 3.593 14.406 7.467 1.00 0.00 C ATOM 468 CG2 ILE A 31 1.923 14.283 9.373 1.00 0.00 C ATOM 469 CD1 ILE A 31 4.892 14.597 8.253 1.00 0.00 C ATOM 0 H ILE A 31 2.408 17.056 6.657 1.00 0.00 H new ATOM 0 HA ILE A 31 1.172 14.469 6.594 1.00 0.00 H new ATOM 0 HB ILE A 31 2.786 16.044 8.556 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.384 13.342 7.356 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.707 14.815 6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.753 14.096 10.054 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.146 14.844 9.893 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.515 13.333 9.028 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.710 14.101 7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.111 15.661 8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.782 14.165 9.248 1.00 0.00 H new ATOM 481 N GLN A 32 -0.226 16.842 8.370 1.00 0.00 N ATOM 482 CA GLN A 32 -1.457 17.220 9.043 1.00 0.00 C ATOM 483 C GLN A 32 -2.602 17.331 8.035 1.00 0.00 C ATOM 484 O GLN A 32 -3.765 17.148 8.389 1.00 0.00 O ATOM 485 CB GLN A 32 -1.278 18.529 9.816 1.00 0.00 C ATOM 486 CG GLN A 32 -2.631 19.181 10.109 1.00 0.00 C ATOM 487 CD GLN A 32 -2.583 19.980 11.414 1.00 0.00 C ATOM 488 OE1 GLN A 32 -2.208 21.140 11.447 1.00 0.00 O ATOM 489 NE2 GLN A 32 -2.982 19.296 12.482 1.00 0.00 N ATOM 0 H GLN A 32 0.477 17.579 8.321 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.708 16.441 9.763 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.754 18.334 10.752 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.657 19.214 9.239 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.908 19.839 9.285 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.402 18.413 10.176 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.284 18.327 12.383 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.986 19.741 13.400 1.00 0.00 H new ATOM 498 N LYS A 33 -2.232 17.630 6.798 1.00 0.00 N ATOM 499 CA LYS A 33 -3.213 17.766 5.736 1.00 0.00 C ATOM 500 C LYS A 33 -3.647 16.376 5.266 1.00 0.00 C ATOM 501 O LYS A 33 -4.836 16.127 5.068 1.00 0.00 O ATOM 502 CB LYS A 33 -2.668 18.652 4.613 1.00 0.00 C ATOM 503 CG LYS A 33 -3.147 20.096 4.773 1.00 0.00 C ATOM 504 CD LYS A 33 -2.322 21.047 3.903 1.00 0.00 C ATOM 505 CE LYS A 33 -3.136 21.543 2.707 1.00 0.00 C ATOM 506 NZ LYS A 33 -3.703 22.882 2.985 1.00 0.00 N ATOM 0 H LYS A 33 -1.266 17.782 6.508 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.106 18.271 6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.578 18.624 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.992 18.262 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.199 20.166 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.070 20.395 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.992 21.897 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.425 20.537 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.502 21.587 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.940 20.839 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.253 23.204 2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.324 22.830 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.931 23.554 3.170 1.00 0.00 H new ATOM 519 N GLY A 34 -2.660 15.507 5.102 1.00 0.00 N ATOM 520 CA GLY A 34 -2.926 14.149 4.659 1.00 0.00 C ATOM 521 C GLY A 34 -3.640 13.347 5.749 1.00 0.00 C ATOM 522 O GLY A 34 -4.503 12.522 5.453 1.00 0.00 O ATOM 0 H GLY A 34 -1.676 15.717 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.539 14.170 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.989 13.658 4.396 1.00 0.00 H new ATOM 526 N LYS A 35 -3.253 13.618 6.987 1.00 0.00 N ATOM 527 CA LYS A 35 -3.846 12.931 8.123 1.00 0.00 C ATOM 528 C LYS A 35 -5.332 13.284 8.207 1.00 0.00 C ATOM 529 O LYS A 35 -6.118 12.540 8.792 1.00 0.00 O ATOM 530 CB LYS A 35 -3.067 13.242 9.403 1.00 0.00 C ATOM 531 CG LYS A 35 -3.930 12.997 10.642 1.00 0.00 C ATOM 532 CD LYS A 35 -3.059 12.737 11.874 1.00 0.00 C ATOM 533 CE LYS A 35 -3.463 11.435 12.566 1.00 0.00 C ATOM 534 NZ LYS A 35 -3.062 11.459 13.990 1.00 0.00 N ATOM 0 H LYS A 35 -2.537 14.303 7.229 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.781 11.851 7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.173 12.620 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.733 14.280 9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.570 13.861 10.820 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.586 12.144 10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.011 12.686 11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.153 13.569 12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.541 11.294 12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.994 10.589 12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.344 10.567 14.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.030 11.572 14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.530 12.255 14.469 1.00 0.00 H new ATOM 547 N ASP A 36 -5.673 14.418 7.615 1.00 0.00 N ATOM 548 CA ASP A 36 -7.052 14.878 7.615 1.00 0.00 C ATOM 549 C ASP A 36 -7.813 14.197 6.476 1.00 0.00 C ATOM 550 O ASP A 36 -9.034 14.314 6.384 1.00 0.00 O ATOM 551 CB ASP A 36 -7.128 16.391 7.398 1.00 0.00 C ATOM 552 CG ASP A 36 -8.448 17.039 7.820 1.00 0.00 C ATOM 553 OD1 ASP A 36 -9.501 16.796 7.214 1.00 0.00 O ATOM 554 OD2 ASP A 36 -8.364 17.836 8.831 1.00 0.00 O ATOM 0 H ASP A 36 -5.018 15.033 7.131 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.490 14.630 8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.316 16.863 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.959 16.600 6.342 1.00 0.00 H new ATOM 560 N ILE A 37 -7.060 13.502 5.637 1.00 0.00 N ATOM 561 CA ILE A 37 -7.648 12.803 4.507 1.00 0.00 C ATOM 562 C ILE A 37 -7.625 11.298 4.776 1.00 0.00 C ATOM 563 O ILE A 37 -6.565 10.674 4.749 1.00 0.00 O ATOM 564 CB ILE A 37 -6.951 13.205 3.205 1.00 0.00 C ATOM 565 CG1 ILE A 37 -6.963 14.725 3.024 1.00 0.00 C ATOM 566 CG2 ILE A 37 -7.566 12.480 2.007 1.00 0.00 C ATOM 567 CD1 ILE A 37 -6.229 15.130 1.745 1.00 0.00 C ATOM 0 H ILE A 37 -6.048 13.408 5.717 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.692 13.090 4.384 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.908 12.896 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.992 15.082 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.492 15.201 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.052 12.784 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.462 11.403 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.623 12.736 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.252 16.215 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.194 14.792 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.717 14.672 0.885 1.00 0.00 H new ATOM 579 N LYS A 38 -8.807 10.756 5.031 1.00 0.00 N ATOM 580 CA LYS A 38 -8.937 9.335 5.305 1.00 0.00 C ATOM 581 C LYS A 38 -8.308 8.539 4.160 1.00 0.00 C ATOM 582 O LYS A 38 -8.982 8.211 3.185 1.00 0.00 O ATOM 583 CB LYS A 38 -10.398 8.972 5.577 1.00 0.00 C ATOM 584 CG LYS A 38 -10.782 9.288 7.023 1.00 0.00 C ATOM 585 CD LYS A 38 -12.167 8.730 7.358 1.00 0.00 C ATOM 586 CE LYS A 38 -12.748 9.413 8.597 1.00 0.00 C ATOM 587 NZ LYS A 38 -13.952 10.195 8.241 1.00 0.00 N ATOM 0 H LYS A 38 -9.684 11.276 5.054 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.394 9.072 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.046 9.524 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.556 7.912 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.041 8.863 7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.774 10.367 7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.837 8.876 6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.099 7.656 7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.002 8.664 9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.000 10.069 9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.334 10.652 9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.699 10.922 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.671 9.561 7.837 1.00 0.00 H new ATOM 600 N GLY A 39 -7.024 8.254 4.315 1.00 0.00 N ATOM 601 CA GLY A 39 -6.296 7.503 3.305 1.00 0.00 C ATOM 602 C GLY A 39 -6.998 6.180 2.995 1.00 0.00 C ATOM 603 O GLY A 39 -6.988 5.260 3.811 1.00 0.00 O ATOM 0 H GLY A 39 -6.468 8.529 5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.213 8.097 2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.281 7.308 3.652 1.00 0.00 H new ATOM 607 N VAL A 40 -7.593 6.125 1.812 1.00 0.00 N ATOM 608 CA VAL A 40 -8.299 4.930 1.383 1.00 0.00 C ATOM 609 C VAL A 40 -7.441 4.173 0.367 1.00 0.00 C ATOM 610 O VAL A 40 -6.776 4.784 -0.467 1.00 0.00 O ATOM 611 CB VAL A 40 -9.679 5.304 0.839 1.00 0.00 C ATOM 612 CG1 VAL A 40 -9.558 6.236 -0.369 1.00 0.00 C ATOM 613 CG2 VAL A 40 -10.487 4.053 0.487 1.00 0.00 C ATOM 0 H VAL A 40 -7.600 6.890 1.137 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.468 4.262 2.228 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.214 5.839 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.553 6.487 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.040 7.148 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.995 5.738 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.464 4.347 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.956 3.479 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.617 3.441 1.380 1.00 0.00 H new ATOM 623 N SER A 41 -7.483 2.852 0.473 1.00 0.00 N ATOM 624 CA SER A 41 -6.718 2.005 -0.426 1.00 0.00 C ATOM 625 C SER A 41 -7.663 1.154 -1.275 1.00 0.00 C ATOM 626 O SER A 41 -8.341 0.268 -0.758 1.00 0.00 O ATOM 627 CB SER A 41 -5.751 1.110 0.350 1.00 0.00 C ATOM 628 OG SER A 41 -6.434 0.237 1.246 1.00 0.00 O ATOM 0 H SER A 41 -8.035 2.348 1.168 1.00 0.00 H new ATOM 0 HA SER A 41 -6.130 2.647 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.161 0.520 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.053 1.731 0.911 1.00 0.00 H new ATOM 0 HG SER A 41 -7.342 0.075 0.916 1.00 0.00 H new ATOM 634 N GLU A 42 -7.679 1.453 -2.566 1.00 0.00 N ATOM 635 CA GLU A 42 -8.531 0.726 -3.492 1.00 0.00 C ATOM 636 C GLU A 42 -7.761 -0.438 -4.118 1.00 0.00 C ATOM 637 O GLU A 42 -6.675 -0.249 -4.664 1.00 0.00 O ATOM 638 CB GLU A 42 -9.088 1.658 -4.571 1.00 0.00 C ATOM 639 CG GLU A 42 -10.612 1.548 -4.656 1.00 0.00 C ATOM 640 CD GLU A 42 -11.088 1.645 -6.107 1.00 0.00 C ATOM 641 OE1 GLU A 42 -10.296 1.425 -7.036 1.00 0.00 O ATOM 642 OE2 GLU A 42 -12.330 1.962 -6.253 1.00 0.00 O ATOM 0 H GLU A 42 -7.116 2.189 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.377 0.320 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.806 2.687 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.647 1.408 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.936 0.601 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.071 2.341 -4.065 1.00 0.00 H new ATOM 650 N ILE A 43 -8.355 -1.619 -4.019 1.00 0.00 N ATOM 651 CA ILE A 43 -7.739 -2.815 -4.569 1.00 0.00 C ATOM 652 C ILE A 43 -8.524 -3.267 -5.802 1.00 0.00 C ATOM 653 O ILE A 43 -9.719 -3.544 -5.715 1.00 0.00 O ATOM 654 CB ILE A 43 -7.611 -3.895 -3.492 1.00 0.00 C ATOM 655 CG1 ILE A 43 -6.393 -3.640 -2.602 1.00 0.00 C ATOM 656 CG2 ILE A 43 -7.583 -5.291 -4.117 1.00 0.00 C ATOM 657 CD1 ILE A 43 -6.501 -4.417 -1.288 1.00 0.00 C ATOM 0 H ILE A 43 -9.256 -1.773 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.722 -2.603 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.492 -3.846 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.485 -3.934 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.308 -2.574 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.491 -6.040 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.505 -5.459 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.732 -5.370 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.622 -4.218 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.397 -4.103 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.561 -5.484 -1.500 1.00 0.00 H new ATOM 669 N VAL A 44 -7.819 -3.327 -6.923 1.00 0.00 N ATOM 670 CA VAL A 44 -8.434 -3.739 -8.173 1.00 0.00 C ATOM 671 C VAL A 44 -7.904 -5.120 -8.565 1.00 0.00 C ATOM 672 O VAL A 44 -6.696 -5.311 -8.691 1.00 0.00 O ATOM 673 CB VAL A 44 -8.195 -2.679 -9.249 1.00 0.00 C ATOM 674 CG1 VAL A 44 -8.921 -3.042 -10.546 1.00 0.00 C ATOM 675 CG2 VAL A 44 -8.615 -1.293 -8.756 1.00 0.00 C ATOM 0 H VAL A 44 -6.828 -3.097 -6.991 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.514 -3.826 -8.057 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.126 -2.650 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.735 -2.272 -11.295 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.554 -4.001 -10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.992 -3.112 -10.356 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.435 -0.558 -9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.676 -1.302 -8.504 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.035 -1.030 -7.872 1.00 0.00 H new ATOM 685 N GLN A 45 -8.833 -6.046 -8.748 1.00 0.00 N ATOM 686 CA GLN A 45 -8.475 -7.403 -9.123 1.00 0.00 C ATOM 687 C GLN A 45 -9.377 -7.896 -10.256 1.00 0.00 C ATOM 688 O GLN A 45 -10.601 -7.836 -10.150 1.00 0.00 O ATOM 689 CB GLN A 45 -8.545 -8.343 -7.918 1.00 0.00 C ATOM 690 CG GLN A 45 -7.165 -8.916 -7.588 1.00 0.00 C ATOM 691 CD GLN A 45 -6.948 -8.986 -6.075 1.00 0.00 C ATOM 692 OE1 GLN A 45 -7.361 -8.119 -5.321 1.00 0.00 O ATOM 693 NE2 GLN A 45 -6.278 -10.064 -5.674 1.00 0.00 N ATOM 0 H GLN A 45 -9.834 -5.883 -8.643 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.445 -7.400 -9.479 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.935 -7.804 -7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.240 -9.156 -8.127 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.068 -9.912 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.392 -8.296 -8.042 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.961 -10.751 -6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.082 -10.203 -4.683 1.00 0.00 H new ATOM 702 N ASN A 46 -8.738 -8.373 -11.315 1.00 0.00 N ATOM 703 CA ASN A 46 -9.468 -8.876 -12.465 1.00 0.00 C ATOM 704 C ASN A 46 -8.731 -10.087 -13.041 1.00 0.00 C ATOM 705 O ASN A 46 -8.026 -9.971 -14.042 1.00 0.00 O ATOM 706 CB ASN A 46 -9.564 -7.816 -13.563 1.00 0.00 C ATOM 707 CG ASN A 46 -10.781 -8.060 -14.457 1.00 0.00 C ATOM 708 OD1 ASN A 46 -11.033 -9.160 -14.920 1.00 0.00 O ATOM 709 ND2 ASN A 46 -11.521 -6.975 -14.673 1.00 0.00 N ATOM 0 H ASN A 46 -7.723 -8.421 -11.400 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.471 -9.146 -12.136 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.632 -6.826 -13.112 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.657 -7.830 -14.167 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.355 -7.035 -15.257 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.254 -6.084 -14.255 1.00 0.00 H new ATOM 716 N GLY A 47 -8.921 -11.223 -12.383 1.00 0.00 N ATOM 717 CA GLY A 47 -8.283 -12.454 -12.818 1.00 0.00 C ATOM 718 C GLY A 47 -6.846 -12.539 -12.299 1.00 0.00 C ATOM 719 O GLY A 47 -6.622 -12.856 -11.132 1.00 0.00 O ATOM 0 H GLY A 47 -9.507 -11.316 -11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.854 -13.310 -12.460 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.284 -12.503 -13.907 1.00 0.00 H new ATOM 723 N LYS A 48 -5.910 -12.252 -13.192 1.00 0.00 N ATOM 724 CA LYS A 48 -4.502 -12.292 -12.839 1.00 0.00 C ATOM 725 C LYS A 48 -3.944 -10.868 -12.819 1.00 0.00 C ATOM 726 O LYS A 48 -2.849 -10.633 -12.311 1.00 0.00 O ATOM 727 CB LYS A 48 -3.742 -13.237 -13.773 1.00 0.00 C ATOM 728 CG LYS A 48 -3.951 -14.697 -13.365 1.00 0.00 C ATOM 729 CD LYS A 48 -2.971 -15.104 -12.264 1.00 0.00 C ATOM 730 CE LYS A 48 -3.196 -16.557 -11.838 1.00 0.00 C ATOM 731 NZ LYS A 48 -2.445 -17.478 -12.719 1.00 0.00 N ATOM 0 H LYS A 48 -6.100 -11.991 -14.160 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.373 -12.699 -11.836 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.081 -13.090 -14.799 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.679 -12.998 -13.751 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.974 -14.838 -13.016 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.818 -15.343 -14.232 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.948 -14.980 -12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.092 -14.446 -11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.877 -16.693 -10.804 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.259 -16.793 -11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.609 -18.459 -12.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.768 -17.360 -13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.429 -17.263 -12.661 1.00 0.00 H new ATOM 744 N HIS A 49 -4.724 -9.954 -13.378 1.00 0.00 N ATOM 745 CA HIS A 49 -4.321 -8.558 -13.430 1.00 0.00 C ATOM 746 C HIS A 49 -4.963 -7.795 -12.270 1.00 0.00 C ATOM 747 O HIS A 49 -6.166 -7.903 -12.042 1.00 0.00 O ATOM 748 CB HIS A 49 -4.650 -7.949 -14.795 1.00 0.00 C ATOM 749 CG HIS A 49 -4.187 -8.781 -15.966 1.00 0.00 C ATOM 750 ND1 HIS A 49 -4.471 -8.450 -17.280 1.00 0.00 N ATOM 751 CD2 HIS A 49 -3.455 -9.931 -16.009 1.00 0.00 C ATOM 752 CE1 HIS A 49 -3.931 -9.368 -18.069 1.00 0.00 C ATOM 753 NE2 HIS A 49 -3.302 -10.285 -17.279 1.00 0.00 N ATOM 0 H HIS A 49 -5.632 -10.152 -13.798 1.00 0.00 H new ATOM 0 HA HIS A 49 -3.240 -8.483 -13.314 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.728 -7.807 -14.867 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.193 -6.962 -14.861 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.066 -10.464 -15.154 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.980 -9.387 -19.148 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.797 -11.107 -17.610 1.00 0.00 H new ATOM 761 N PHE A 50 -4.130 -7.041 -11.568 1.00 0.00 N ATOM 762 CA PHE A 50 -4.601 -6.260 -10.437 1.00 0.00 C ATOM 763 C PHE A 50 -4.187 -4.793 -10.573 1.00 0.00 C ATOM 764 O PHE A 50 -3.033 -4.495 -10.869 1.00 0.00 O ATOM 765 CB PHE A 50 -3.947 -6.847 -9.184 1.00 0.00 C ATOM 766 CG PHE A 50 -3.800 -5.850 -8.033 1.00 0.00 C ATOM 767 CD1 PHE A 50 -2.763 -4.969 -8.025 1.00 0.00 C ATOM 768 CD2 PHE A 50 -4.704 -5.845 -7.018 1.00 0.00 C ATOM 769 CE1 PHE A 50 -2.626 -4.043 -6.958 1.00 0.00 C ATOM 770 CE2 PHE A 50 -4.567 -4.919 -5.950 1.00 0.00 C ATOM 771 CZ PHE A 50 -3.532 -4.038 -5.942 1.00 0.00 C ATOM 0 H PHE A 50 -3.132 -6.954 -11.760 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.689 -6.300 -10.385 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.538 -7.696 -8.842 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.961 -7.230 -9.447 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.044 -4.974 -8.831 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.526 -6.545 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.804 -3.343 -6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.286 -4.915 -5.144 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.428 -3.334 -5.130 1.00 0.00 H new ATOM 781 N LYS A 51 -5.155 -3.916 -10.350 1.00 0.00 N ATOM 782 CA LYS A 51 -4.907 -2.487 -10.444 1.00 0.00 C ATOM 783 C LYS A 51 -4.840 -1.892 -9.036 1.00 0.00 C ATOM 784 O LYS A 51 -5.424 -2.434 -8.100 1.00 0.00 O ATOM 785 CB LYS A 51 -5.949 -1.820 -11.344 1.00 0.00 C ATOM 786 CG LYS A 51 -5.308 -1.301 -12.633 1.00 0.00 C ATOM 787 CD LYS A 51 -6.361 -0.702 -13.566 1.00 0.00 C ATOM 788 CE LYS A 51 -6.833 -1.733 -14.595 1.00 0.00 C ATOM 789 NZ LYS A 51 -5.907 -1.773 -15.749 1.00 0.00 N ATOM 0 H LYS A 51 -6.113 -4.167 -10.104 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.943 -2.298 -10.917 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.736 -2.534 -11.587 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.421 -0.995 -10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.559 -0.547 -12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.790 -2.115 -13.139 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.211 -0.350 -12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.946 0.165 -14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.890 -2.718 -14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.838 -1.482 -14.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.445 -1.648 -16.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.207 -1.009 -15.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.417 -2.690 -15.769 1.00 0.00 H new ATOM 802 N PHE A 52 -4.120 -0.784 -8.931 1.00 0.00 N ATOM 803 CA PHE A 52 -3.968 -0.109 -7.653 1.00 0.00 C ATOM 804 C PHE A 52 -4.197 1.396 -7.798 1.00 0.00 C ATOM 805 O PHE A 52 -4.064 1.946 -8.891 1.00 0.00 O ATOM 806 CB PHE A 52 -2.532 -0.352 -7.186 1.00 0.00 C ATOM 807 CG PHE A 52 -2.222 0.219 -5.801 1.00 0.00 C ATOM 808 CD1 PHE A 52 -2.968 -0.159 -4.728 1.00 0.00 C ATOM 809 CD2 PHE A 52 -1.202 1.104 -5.643 1.00 0.00 C ATOM 810 CE1 PHE A 52 -2.681 0.371 -3.442 1.00 0.00 C ATOM 811 CE2 PHE A 52 -0.914 1.634 -4.357 1.00 0.00 C ATOM 812 CZ PHE A 52 -1.660 1.257 -3.284 1.00 0.00 C ATOM 0 H PHE A 52 -3.636 -0.337 -9.710 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.698 -0.494 -6.940 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.341 -1.425 -7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.846 0.087 -7.910 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.778 -0.862 -4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.611 1.404 -6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.273 0.071 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.103 2.336 -4.231 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.442 1.661 -2.306 1.00 0.00 H new ATOM 822 N THR A 53 -4.536 2.021 -6.680 1.00 0.00 N ATOM 823 CA THR A 53 -4.784 3.454 -6.669 1.00 0.00 C ATOM 824 C THR A 53 -3.967 4.128 -5.566 1.00 0.00 C ATOM 825 O THR A 53 -3.791 3.565 -4.486 1.00 0.00 O ATOM 826 CB THR A 53 -6.292 3.671 -6.528 1.00 0.00 C ATOM 827 OG1 THR A 53 -6.817 3.304 -7.800 1.00 0.00 O ATOM 828 CG2 THR A 53 -6.660 5.150 -6.386 1.00 0.00 C ATOM 0 H THR A 53 -4.645 1.562 -5.776 1.00 0.00 H new ATOM 0 HA THR A 53 -4.460 3.919 -7.600 1.00 0.00 H new ATOM 0 HB THR A 53 -6.658 3.121 -5.661 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.791 3.413 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.741 5.248 -6.289 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.177 5.562 -5.499 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.324 5.695 -7.268 1.00 0.00 H new ATOM 836 N ILE A 54 -3.489 5.325 -5.874 1.00 0.00 N ATOM 837 CA ILE A 54 -2.694 6.081 -4.922 1.00 0.00 C ATOM 838 C ILE A 54 -3.442 7.361 -4.543 1.00 0.00 C ATOM 839 O ILE A 54 -3.913 8.090 -5.414 1.00 0.00 O ATOM 840 CB ILE A 54 -1.290 6.331 -5.475 1.00 0.00 C ATOM 841 CG1 ILE A 54 -0.636 5.022 -5.921 1.00 0.00 C ATOM 842 CG2 ILE A 54 -0.427 7.086 -4.462 1.00 0.00 C ATOM 843 CD1 ILE A 54 0.289 5.252 -7.118 1.00 0.00 C ATOM 0 H ILE A 54 -3.637 5.790 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.553 5.509 -4.005 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.379 6.965 -6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.068 4.595 -5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.407 4.298 -6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.566 7.250 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.889 8.047 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.342 6.499 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.741 4.306 -7.415 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.287 5.656 -7.950 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.072 5.958 -6.842 1.00 0.00 H new ATOM 855 N THR A 55 -3.530 7.595 -3.242 1.00 0.00 N ATOM 856 CA THR A 55 -4.213 8.773 -2.738 1.00 0.00 C ATOM 857 C THR A 55 -3.274 9.596 -1.852 1.00 0.00 C ATOM 858 O THR A 55 -3.422 9.613 -0.631 1.00 0.00 O ATOM 859 CB THR A 55 -5.480 8.313 -2.015 1.00 0.00 C ATOM 860 OG1 THR A 55 -6.297 7.777 -3.053 1.00 0.00 O ATOM 861 CG2 THR A 55 -6.298 9.482 -1.464 1.00 0.00 C ATOM 0 H THR A 55 -3.139 6.988 -2.522 1.00 0.00 H new ATOM 0 HA THR A 55 -4.508 9.436 -3.551 1.00 0.00 H new ATOM 0 HB THR A 55 -5.208 7.644 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.140 7.453 -2.672 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.186 9.099 -0.961 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.693 10.046 -0.754 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.598 10.134 -2.284 1.00 0.00 H new ATOM 869 N ALA A 56 -2.329 10.258 -2.503 1.00 0.00 N ATOM 870 CA ALA A 56 -1.366 11.081 -1.790 1.00 0.00 C ATOM 871 C ALA A 56 -1.530 12.539 -2.220 1.00 0.00 C ATOM 872 O ALA A 56 -0.887 12.988 -3.167 1.00 0.00 O ATOM 873 CB ALA A 56 0.047 10.553 -2.048 1.00 0.00 C ATOM 0 H ALA A 56 -2.209 10.242 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.542 11.033 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.769 11.170 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.120 9.523 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.259 10.589 -3.116 1.00 0.00 H new ATOM 879 N GLY A 57 -2.398 13.240 -1.503 1.00 0.00 N ATOM 880 CA GLY A 57 -2.655 14.640 -1.798 1.00 0.00 C ATOM 881 C GLY A 57 -3.983 14.808 -2.539 1.00 0.00 C ATOM 882 O GLY A 57 -4.082 15.608 -3.469 1.00 0.00 O ATOM 0 H GLY A 57 -2.932 12.864 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.676 15.213 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.843 15.043 -2.403 1.00 0.00 H new ATOM 886 N SER A 58 -4.970 14.041 -2.101 1.00 0.00 N ATOM 887 CA SER A 58 -6.288 14.095 -2.710 1.00 0.00 C ATOM 888 C SER A 58 -6.171 13.916 -4.226 1.00 0.00 C ATOM 889 O SER A 58 -6.926 14.521 -4.985 1.00 0.00 O ATOM 890 CB SER A 58 -6.993 15.414 -2.384 1.00 0.00 C ATOM 891 OG SER A 58 -8.404 15.319 -2.548 1.00 0.00 O ATOM 0 H SER A 58 -4.883 13.378 -1.331 1.00 0.00 H new ATOM 0 HA SER A 58 -6.888 13.283 -2.299 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.766 15.703 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.605 16.202 -3.030 1.00 0.00 H new ATOM 0 HG SER A 58 -8.608 15.019 -3.458 1.00 0.00 H new ATOM 897 N LYS A 59 -5.219 13.083 -4.619 1.00 0.00 N ATOM 898 CA LYS A 59 -4.994 12.818 -6.030 1.00 0.00 C ATOM 899 C LYS A 59 -5.121 11.315 -6.288 1.00 0.00 C ATOM 900 O LYS A 59 -5.187 10.523 -5.349 1.00 0.00 O ATOM 901 CB LYS A 59 -3.655 13.407 -6.479 1.00 0.00 C ATOM 902 CG LYS A 59 -2.495 12.486 -6.097 1.00 0.00 C ATOM 903 CD LYS A 59 -1.172 13.006 -6.666 1.00 0.00 C ATOM 904 CE LYS A 59 -0.237 11.849 -7.023 1.00 0.00 C ATOM 905 NZ LYS A 59 1.176 12.250 -6.844 1.00 0.00 N ATOM 0 H LYS A 59 -4.595 12.583 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.753 13.312 -6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.664 13.558 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.513 14.386 -6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.425 12.414 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.686 11.480 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.365 13.609 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.689 13.657 -5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.459 10.987 -6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.406 11.542 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.797 11.453 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.388 13.059 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.337 12.521 -5.853 1.00 0.00 H new ATOM 918 N VAL A 60 -5.151 10.967 -7.566 1.00 0.00 N ATOM 919 CA VAL A 60 -5.270 9.574 -7.960 1.00 0.00 C ATOM 920 C VAL A 60 -4.236 9.264 -9.044 1.00 0.00 C ATOM 921 O VAL A 60 -3.814 10.157 -9.776 1.00 0.00 O ATOM 922 CB VAL A 60 -6.704 9.274 -8.399 1.00 0.00 C ATOM 923 CG1 VAL A 60 -7.206 7.967 -7.781 1.00 0.00 C ATOM 924 CG2 VAL A 60 -7.637 10.437 -8.055 1.00 0.00 C ATOM 0 H VAL A 60 -5.095 11.626 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.060 8.920 -7.114 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.704 9.153 -9.482 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.228 7.778 -8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.565 7.145 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.183 8.046 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.650 10.198 -8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.629 10.604 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.297 11.339 -8.564 1.00 0.00 H new ATOM 934 N ILE A 61 -3.857 7.996 -9.112 1.00 0.00 N ATOM 935 CA ILE A 61 -2.880 7.558 -10.095 1.00 0.00 C ATOM 936 C ILE A 61 -3.334 6.229 -10.702 1.00 0.00 C ATOM 937 O ILE A 61 -3.797 5.342 -9.986 1.00 0.00 O ATOM 938 CB ILE A 61 -1.483 7.506 -9.474 1.00 0.00 C ATOM 939 CG1 ILE A 61 -0.965 8.913 -9.170 1.00 0.00 C ATOM 940 CG2 ILE A 61 -0.518 6.719 -10.363 1.00 0.00 C ATOM 941 CD1 ILE A 61 0.495 8.874 -8.712 1.00 0.00 C ATOM 0 H ILE A 61 -4.209 7.258 -8.502 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.814 8.275 -10.913 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.551 6.976 -8.524 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.054 9.537 -10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.580 9.371 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.468 6.697 -9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.885 5.700 -10.485 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.449 7.199 -11.339 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.838 9.887 -8.503 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.577 8.269 -7.809 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.111 8.438 -9.498 1.00 0.00 H new ATOM 953 N GLN A 62 -3.186 6.134 -12.015 1.00 0.00 N ATOM 954 CA GLN A 62 -3.575 4.928 -12.725 1.00 0.00 C ATOM 955 C GLN A 62 -2.345 4.070 -13.027 1.00 0.00 C ATOM 956 O GLN A 62 -1.420 4.519 -13.702 1.00 0.00 O ATOM 957 CB GLN A 62 -4.334 5.269 -14.009 1.00 0.00 C ATOM 958 CG GLN A 62 -3.462 6.095 -14.959 1.00 0.00 C ATOM 959 CD GLN A 62 -3.252 5.363 -16.286 1.00 0.00 C ATOM 960 OE1 GLN A 62 -3.720 4.256 -16.495 1.00 0.00 O ATOM 961 NE2 GLN A 62 -2.523 6.042 -17.168 1.00 0.00 N ATOM 0 H GLN A 62 -2.802 6.872 -12.605 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.246 4.354 -12.086 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.649 4.351 -14.504 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.239 5.825 -13.764 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.932 7.061 -15.143 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.497 6.294 -14.493 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.162 6.965 -16.928 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.326 5.639 -18.084 1.00 0.00 H new ATOM 970 N ASN A 63 -2.374 2.849 -12.512 1.00 0.00 N ATOM 971 CA ASN A 63 -1.273 1.924 -12.718 1.00 0.00 C ATOM 972 C ASN A 63 -1.781 0.489 -12.556 1.00 0.00 C ATOM 973 O ASN A 63 -2.619 0.217 -11.698 1.00 0.00 O ATOM 974 CB ASN A 63 -0.163 2.151 -11.690 1.00 0.00 C ATOM 975 CG ASN A 63 0.945 3.036 -12.266 1.00 0.00 C ATOM 976 OD1 ASN A 63 1.425 2.832 -13.369 1.00 0.00 O ATOM 977 ND2 ASN A 63 1.321 4.024 -11.461 1.00 0.00 N ATOM 0 H ASN A 63 -3.143 2.479 -11.953 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.876 2.090 -13.720 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.579 2.618 -10.797 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.255 1.192 -11.383 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.054 4.670 -11.754 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.876 4.137 -10.550 1.00 0.00 H new ATOM 984 N GLU A 64 -1.251 -0.390 -13.392 1.00 0.00 N ATOM 985 CA GLU A 64 -1.640 -1.790 -13.353 1.00 0.00 C ATOM 986 C GLU A 64 -0.449 -2.660 -12.948 1.00 0.00 C ATOM 987 O GLU A 64 0.700 -2.307 -13.210 1.00 0.00 O ATOM 988 CB GLU A 64 -2.215 -2.238 -14.698 1.00 0.00 C ATOM 989 CG GLU A 64 -1.180 -2.086 -15.814 1.00 0.00 C ATOM 990 CD GLU A 64 -1.549 -2.947 -17.025 1.00 0.00 C ATOM 991 OE1 GLU A 64 -1.429 -4.179 -16.968 1.00 0.00 O ATOM 992 OE2 GLU A 64 -1.973 -2.290 -18.052 1.00 0.00 O ATOM 0 H GLU A 64 -0.555 -0.161 -14.101 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.423 -1.909 -12.604 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.535 -3.278 -14.633 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.100 -1.647 -14.934 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.114 -1.040 -16.114 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.196 -2.375 -15.444 1.00 0.00 H new ATOM 1000 N PHE A 65 -0.763 -3.782 -12.318 1.00 0.00 N ATOM 1001 CA PHE A 65 0.267 -4.707 -11.875 1.00 0.00 C ATOM 1002 C PHE A 65 -0.140 -6.155 -12.152 1.00 0.00 C ATOM 1003 O PHE A 65 -1.304 -6.519 -11.988 1.00 0.00 O ATOM 1004 CB PHE A 65 0.423 -4.512 -10.366 1.00 0.00 C ATOM 1005 CG PHE A 65 1.827 -4.820 -9.841 1.00 0.00 C ATOM 1006 CD1 PHE A 65 2.329 -6.079 -9.941 1.00 0.00 C ATOM 1007 CD2 PHE A 65 2.571 -3.834 -9.273 1.00 0.00 C ATOM 1008 CE1 PHE A 65 3.632 -6.365 -9.454 1.00 0.00 C ATOM 1009 CE2 PHE A 65 3.874 -4.119 -8.785 1.00 0.00 C ATOM 1010 CZ PHE A 65 4.377 -5.380 -8.886 1.00 0.00 C ATOM 0 H PHE A 65 -1.717 -4.072 -12.103 1.00 0.00 H new ATOM 0 HA PHE A 65 1.197 -4.512 -12.409 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.170 -3.482 -10.115 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.295 -5.151 -9.851 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.737 -6.862 -10.391 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.171 -2.834 -9.193 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.031 -7.365 -9.535 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.465 -3.336 -8.334 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.368 -5.598 -8.515 1.00 0.00 H new ATOM 1020 N THR A 66 0.841 -6.943 -12.566 1.00 0.00 N ATOM 1021 CA THR A 66 0.599 -8.344 -12.868 1.00 0.00 C ATOM 1022 C THR A 66 1.401 -9.238 -11.920 1.00 0.00 C ATOM 1023 O THR A 66 2.439 -8.829 -11.403 1.00 0.00 O ATOM 1024 CB THR A 66 0.927 -8.574 -14.343 1.00 0.00 C ATOM 1025 OG1 THR A 66 -0.012 -7.759 -15.039 1.00 0.00 O ATOM 1026 CG2 THR A 66 0.599 -9.996 -14.802 1.00 0.00 C ATOM 0 H THR A 66 1.805 -6.638 -12.700 1.00 0.00 H new ATOM 0 HA THR A 66 -0.446 -8.609 -12.709 1.00 0.00 H new ATOM 0 HB THR A 66 1.984 -8.373 -14.515 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.131 -7.847 -16.005 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.851 -10.105 -15.857 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.177 -10.710 -14.215 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.465 -10.187 -14.662 1.00 0.00 H new ATOM 1034 N VAL A 67 0.889 -10.444 -11.721 1.00 0.00 N ATOM 1035 CA VAL A 67 1.544 -11.400 -10.845 1.00 0.00 C ATOM 1036 C VAL A 67 2.445 -12.314 -11.678 1.00 0.00 C ATOM 1037 O VAL A 67 2.145 -12.599 -12.836 1.00 0.00 O ATOM 1038 CB VAL A 67 0.499 -12.170 -10.034 1.00 0.00 C ATOM 1039 CG1 VAL A 67 1.025 -12.502 -8.636 1.00 0.00 C ATOM 1040 CG2 VAL A 67 -0.815 -11.390 -9.955 1.00 0.00 C ATOM 0 H VAL A 67 0.028 -10.781 -12.152 1.00 0.00 H new ATOM 0 HA VAL A 67 2.179 -10.884 -10.125 1.00 0.00 H new ATOM 0 HB VAL A 67 0.301 -13.110 -10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.263 -13.049 -8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.922 -13.115 -8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.265 -11.579 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.541 -11.958 -9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.639 -10.428 -9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.203 -11.228 -10.961 1.00 0.00 H new ATOM 1050 N GLY A 68 3.532 -12.748 -11.055 1.00 0.00 N ATOM 1051 CA GLY A 68 4.479 -13.623 -11.725 1.00 0.00 C ATOM 1052 C GLY A 68 5.489 -12.816 -12.540 1.00 0.00 C ATOM 1053 O GLY A 68 6.525 -13.340 -12.947 1.00 0.00 O ATOM 0 H GLY A 68 3.777 -12.510 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.004 -14.230 -10.987 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.944 -14.310 -12.380 1.00 0.00 H new ATOM 1057 N GLU A 69 5.154 -11.552 -12.755 1.00 0.00 N ATOM 1058 CA GLU A 69 6.020 -10.666 -13.515 1.00 0.00 C ATOM 1059 C GLU A 69 6.354 -9.418 -12.696 1.00 0.00 C ATOM 1060 O GLU A 69 5.561 -8.990 -11.860 1.00 0.00 O ATOM 1061 CB GLU A 69 5.380 -10.289 -14.853 1.00 0.00 C ATOM 1062 CG GLU A 69 5.199 -11.522 -15.741 1.00 0.00 C ATOM 1063 CD GLU A 69 6.451 -11.782 -16.581 1.00 0.00 C ATOM 1064 OE1 GLU A 69 6.973 -10.855 -17.219 1.00 0.00 O ATOM 1065 OE2 GLU A 69 6.882 -12.997 -16.556 1.00 0.00 O ATOM 0 H GLU A 69 4.294 -11.120 -12.416 1.00 0.00 H new ATOM 0 HA GLU A 69 6.949 -11.194 -13.730 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.413 -9.818 -14.678 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.004 -9.556 -15.365 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.986 -12.393 -15.121 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.340 -11.379 -16.397 1.00 0.00 H new ATOM 1073 N GLU A 70 7.530 -8.870 -12.964 1.00 0.00 N ATOM 1074 CA GLU A 70 7.979 -7.679 -12.263 1.00 0.00 C ATOM 1075 C GLU A 70 7.453 -6.423 -12.959 1.00 0.00 C ATOM 1076 O GLU A 70 7.480 -6.332 -14.186 1.00 0.00 O ATOM 1077 CB GLU A 70 9.504 -7.649 -12.154 1.00 0.00 C ATOM 1078 CG GLU A 70 9.946 -7.353 -10.719 1.00 0.00 C ATOM 1079 CD GLU A 70 11.308 -7.985 -10.423 1.00 0.00 C ATOM 1080 OE1 GLU A 70 11.798 -8.802 -11.217 1.00 0.00 O ATOM 1081 OE2 GLU A 70 11.861 -7.599 -9.324 1.00 0.00 O ATOM 0 H GLU A 70 8.186 -9.229 -13.658 1.00 0.00 H new ATOM 0 HA GLU A 70 7.577 -7.704 -11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.914 -8.607 -12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.905 -6.890 -12.826 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.000 -6.275 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.203 -7.737 -10.019 1.00 0.00 H new ATOM 1089 N CYS A 71 6.988 -5.485 -12.147 1.00 0.00 N ATOM 1090 CA CYS A 71 6.457 -4.238 -12.671 1.00 0.00 C ATOM 1091 C CYS A 71 7.192 -3.080 -11.991 1.00 0.00 C ATOM 1092 O CYS A 71 7.614 -3.198 -10.841 1.00 0.00 O ATOM 1093 CB CYS A 71 4.943 -4.143 -12.479 1.00 0.00 C ATOM 1094 SG CYS A 71 4.155 -5.737 -12.913 1.00 0.00 S ATOM 0 H CYS A 71 6.968 -5.563 -11.130 1.00 0.00 H new ATOM 0 HA CYS A 71 6.624 -4.192 -13.747 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.715 -3.885 -11.445 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.538 -3.346 -13.103 1.00 0.00 H new ATOM 0 HG CYS A 71 3.539 -6.214 -11.872 1.00 0.00 H new ATOM 1100 N GLU A 72 7.322 -1.988 -12.730 1.00 0.00 N ATOM 1101 CA GLU A 72 7.999 -0.811 -12.213 1.00 0.00 C ATOM 1102 C GLU A 72 6.993 0.319 -11.978 1.00 0.00 C ATOM 1103 O GLU A 72 6.346 0.782 -12.915 1.00 0.00 O ATOM 1104 CB GLU A 72 9.117 -0.362 -13.156 1.00 0.00 C ATOM 1105 CG GLU A 72 9.792 0.910 -12.640 1.00 0.00 C ATOM 1106 CD GLU A 72 11.290 0.900 -12.951 1.00 0.00 C ATOM 1107 OE1 GLU A 72 12.084 0.373 -12.158 1.00 0.00 O ATOM 1108 OE2 GLU A 72 11.620 1.464 -14.064 1.00 0.00 O ATOM 0 H GLU A 72 6.970 -1.894 -13.683 1.00 0.00 H new ATOM 0 HA GLU A 72 8.457 -1.069 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.857 -1.157 -13.253 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.709 -0.183 -14.151 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.328 1.784 -13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.641 0.995 -11.564 1.00 0.00 H new ATOM 1116 N LEU A 73 6.895 0.727 -10.722 1.00 0.00 N ATOM 1117 CA LEU A 73 5.980 1.794 -10.352 1.00 0.00 C ATOM 1118 C LEU A 73 6.755 2.898 -9.630 1.00 0.00 C ATOM 1119 O LEU A 73 7.676 2.617 -8.865 1.00 0.00 O ATOM 1120 CB LEU A 73 4.807 1.236 -9.542 1.00 0.00 C ATOM 1121 CG LEU A 73 4.944 1.316 -8.021 1.00 0.00 C ATOM 1122 CD1 LEU A 73 4.294 2.590 -7.478 1.00 0.00 C ATOM 1123 CD2 LEU A 73 4.385 0.058 -7.352 1.00 0.00 C ATOM 0 H LEU A 73 7.433 0.339 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 73 5.539 2.243 -11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.903 1.770 -9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.664 0.192 -9.820 1.00 0.00 H new ATOM 0 HG LEU A 73 6.005 1.366 -7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.406 2.622 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.778 3.462 -7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.234 2.595 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.495 0.141 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.329 -0.049 -7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.932 -0.816 -7.706 1.00 0.00 H new ATOM 1135 N GLU A 74 6.354 4.131 -9.901 1.00 0.00 N ATOM 1136 CA GLU A 74 7.000 5.280 -9.287 1.00 0.00 C ATOM 1137 C GLU A 74 6.584 5.400 -7.819 1.00 0.00 C ATOM 1138 O GLU A 74 5.428 5.691 -7.519 1.00 0.00 O ATOM 1139 CB GLU A 74 6.679 6.564 -10.056 1.00 0.00 C ATOM 1140 CG GLU A 74 7.324 6.549 -11.442 1.00 0.00 C ATOM 1141 CD GLU A 74 6.413 5.865 -12.464 1.00 0.00 C ATOM 1142 OE1 GLU A 74 6.394 4.629 -12.548 1.00 0.00 O ATOM 1143 OE2 GLU A 74 5.705 6.667 -13.184 1.00 0.00 O ATOM 0 H GLU A 74 5.590 4.360 -10.537 1.00 0.00 H new ATOM 0 HA GLU A 74 8.079 5.132 -9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.599 6.672 -10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.036 7.427 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.532 7.570 -11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.280 6.028 -11.396 1.00 0.00 H new ATOM 1151 N THR A 75 7.552 5.171 -6.944 1.00 0.00 N ATOM 1152 CA THR A 75 7.302 5.249 -5.515 1.00 0.00 C ATOM 1153 C THR A 75 6.421 6.458 -5.194 1.00 0.00 C ATOM 1154 O THR A 75 5.285 6.302 -4.748 1.00 0.00 O ATOM 1155 CB THR A 75 8.654 5.276 -4.799 1.00 0.00 C ATOM 1156 OG1 THR A 75 9.283 4.062 -5.201 1.00 0.00 O ATOM 1157 CG2 THR A 75 8.515 5.140 -3.281 1.00 0.00 C ATOM 0 H THR A 75 8.511 4.931 -7.197 1.00 0.00 H new ATOM 0 HA THR A 75 6.748 4.379 -5.162 1.00 0.00 H new ATOM 0 HB THR A 75 9.171 6.206 -5.034 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.167 3.998 -4.784 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.503 5.165 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.914 5.964 -2.895 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.028 4.194 -3.043 1.00 0.00 H new ATOM 1165 N MET A 76 6.978 7.637 -5.433 1.00 0.00 N ATOM 1166 CA MET A 76 6.257 8.871 -5.175 1.00 0.00 C ATOM 1167 C MET A 76 7.139 10.090 -5.453 1.00 0.00 C ATOM 1168 O MET A 76 6.652 11.123 -5.909 1.00 0.00 O ATOM 1169 CB MET A 76 5.794 8.898 -3.717 1.00 0.00 C ATOM 1170 CG MET A 76 4.387 9.485 -3.599 1.00 0.00 C ATOM 1171 SD MET A 76 3.168 8.205 -3.855 1.00 0.00 S ATOM 1172 CE MET A 76 2.972 7.624 -2.179 1.00 0.00 C ATOM 0 H MET A 76 7.920 7.763 -5.803 1.00 0.00 H new ATOM 0 HA MET A 76 5.394 8.911 -5.840 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.805 7.887 -3.309 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.490 9.490 -3.122 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.253 9.935 -2.615 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.252 10.279 -4.334 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.240 6.817 -2.157 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.928 7.257 -1.807 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.628 8.443 -1.548 1.00 0.00 H new ATOM 1182 N THR A 77 8.423 9.928 -5.167 1.00 0.00 N ATOM 1183 CA THR A 77 9.379 11.002 -5.382 1.00 0.00 C ATOM 1184 C THR A 77 9.906 10.969 -6.817 1.00 0.00 C ATOM 1185 O THR A 77 10.841 11.694 -7.156 1.00 0.00 O ATOM 1186 CB THR A 77 10.479 10.872 -4.327 1.00 0.00 C ATOM 1187 OG1 THR A 77 9.776 10.891 -3.087 1.00 0.00 O ATOM 1188 CG2 THR A 77 11.378 12.109 -4.263 1.00 0.00 C ATOM 0 H THR A 77 8.824 9.070 -4.788 1.00 0.00 H new ATOM 0 HA THR A 77 8.910 11.979 -5.265 1.00 0.00 H new ATOM 0 HB THR A 77 11.085 9.992 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.414 10.810 -2.348 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.142 11.965 -3.499 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.857 12.261 -5.230 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.777 12.983 -4.015 1.00 0.00 H new ATOM 1196 N GLY A 78 9.284 10.120 -7.623 1.00 0.00 N ATOM 1197 CA GLY A 78 9.679 9.984 -9.014 1.00 0.00 C ATOM 1198 C GLY A 78 10.464 8.689 -9.236 1.00 0.00 C ATOM 1199 O GLY A 78 10.431 8.119 -10.326 1.00 0.00 O ATOM 0 H GLY A 78 8.510 9.520 -7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.794 9.990 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.289 10.838 -9.308 1.00 0.00 H new ATOM 1203 N GLU A 79 11.152 8.264 -8.186 1.00 0.00 N ATOM 1204 CA GLU A 79 11.944 7.049 -8.253 1.00 0.00 C ATOM 1205 C GLU A 79 11.114 5.906 -8.841 1.00 0.00 C ATOM 1206 O GLU A 79 9.972 5.691 -8.437 1.00 0.00 O ATOM 1207 CB GLU A 79 12.492 6.674 -6.874 1.00 0.00 C ATOM 1208 CG GLU A 79 13.511 7.708 -6.391 1.00 0.00 C ATOM 1209 CD GLU A 79 14.850 7.046 -6.061 1.00 0.00 C ATOM 1210 OE1 GLU A 79 15.123 5.933 -6.533 1.00 0.00 O ATOM 1211 OE2 GLU A 79 15.620 7.731 -5.285 1.00 0.00 O ATOM 0 H GLU A 79 11.177 8.740 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 79 12.795 7.230 -8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.672 6.604 -6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.960 5.690 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.656 8.467 -7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.126 8.218 -5.508 1.00 0.00 H new ATOM 1219 N LYS A 80 11.719 5.202 -9.786 1.00 0.00 N ATOM 1220 CA LYS A 80 11.051 4.087 -10.434 1.00 0.00 C ATOM 1221 C LYS A 80 11.794 2.790 -10.105 1.00 0.00 C ATOM 1222 O LYS A 80 12.931 2.597 -10.536 1.00 0.00 O ATOM 1223 CB LYS A 80 10.904 4.348 -11.934 1.00 0.00 C ATOM 1224 CG LYS A 80 12.272 4.415 -12.616 1.00 0.00 C ATOM 1225 CD LYS A 80 12.388 5.666 -13.489 1.00 0.00 C ATOM 1226 CE LYS A 80 13.833 5.885 -13.944 1.00 0.00 C ATOM 1227 NZ LYS A 80 13.974 5.584 -15.386 1.00 0.00 N ATOM 0 H LYS A 80 12.666 5.383 -10.119 1.00 0.00 H new ATOM 0 HA LYS A 80 10.036 3.978 -10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.306 3.557 -12.387 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.368 5.284 -12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.059 4.419 -11.862 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.422 3.525 -13.227 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.740 5.568 -14.360 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.043 6.536 -12.931 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.129 6.916 -13.751 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.503 5.248 -13.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.960 5.738 -15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.712 4.593 -15.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.349 6.209 -15.934 1.00 0.00 H new ATOM 1240 N VAL A 81 11.124 1.937 -9.346 1.00 0.00 N ATOM 1241 CA VAL A 81 11.707 0.665 -8.955 1.00 0.00 C ATOM 1242 C VAL A 81 10.822 -0.475 -9.462 1.00 0.00 C ATOM 1243 O VAL A 81 9.609 -0.314 -9.593 1.00 0.00 O ATOM 1244 CB VAL A 81 11.918 0.630 -7.440 1.00 0.00 C ATOM 1245 CG1 VAL A 81 12.603 1.907 -6.952 1.00 0.00 C ATOM 1246 CG2 VAL A 81 10.593 0.405 -6.708 1.00 0.00 C ATOM 0 H VAL A 81 10.182 2.101 -8.991 1.00 0.00 H new ATOM 0 HA VAL A 81 12.690 0.540 -9.410 1.00 0.00 H new ATOM 0 HB VAL A 81 12.574 -0.210 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.741 1.856 -5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.574 2.007 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.983 2.769 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.770 0.384 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.904 1.215 -6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.160 -0.545 -7.023 1.00 0.00 H new ATOM 1256 N LYS A 82 11.462 -1.602 -9.735 1.00 0.00 N ATOM 1257 CA LYS A 82 10.747 -2.769 -10.226 1.00 0.00 C ATOM 1258 C LYS A 82 10.461 -3.714 -9.057 1.00 0.00 C ATOM 1259 O LYS A 82 11.377 -4.321 -8.505 1.00 0.00 O ATOM 1260 CB LYS A 82 11.518 -3.426 -11.372 1.00 0.00 C ATOM 1261 CG LYS A 82 12.950 -3.762 -10.950 1.00 0.00 C ATOM 1262 CD LYS A 82 13.958 -2.854 -11.657 1.00 0.00 C ATOM 1263 CE LYS A 82 15.130 -3.664 -12.214 1.00 0.00 C ATOM 1264 NZ LYS A 82 16.377 -2.868 -12.173 1.00 0.00 N ATOM 0 H LYS A 82 12.468 -1.733 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 82 9.784 -2.478 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.005 -4.335 -11.686 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.536 -2.757 -12.233 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.050 -3.651 -9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.167 -4.804 -11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.464 -2.318 -12.468 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.329 -2.104 -10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.256 -4.578 -11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.917 -3.964 -13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.162 -3.433 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.259 -2.008 -12.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.587 -2.603 -11.190 1.00 0.00 H new ATOM 1277 N THR A 83 9.184 -3.810 -8.715 1.00 0.00 N ATOM 1278 CA THR A 83 8.764 -4.670 -7.623 1.00 0.00 C ATOM 1279 C THR A 83 8.081 -5.927 -8.166 1.00 0.00 C ATOM 1280 O THR A 83 7.500 -5.902 -9.250 1.00 0.00 O ATOM 1281 CB THR A 83 7.872 -3.849 -6.689 1.00 0.00 C ATOM 1282 OG1 THR A 83 7.135 -3.005 -7.569 1.00 0.00 O ATOM 1283 CG2 THR A 83 8.672 -2.876 -5.822 1.00 0.00 C ATOM 0 H THR A 83 8.427 -3.306 -9.176 1.00 0.00 H new ATOM 0 HA THR A 83 9.620 -5.025 -7.049 1.00 0.00 H new ATOM 0 HB THR A 83 7.301 -4.520 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.529 -2.438 -7.048 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.992 -2.319 -5.178 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.379 -3.433 -5.207 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.217 -2.182 -6.462 1.00 0.00 H new ATOM 1291 N VAL A 84 8.174 -6.995 -7.387 1.00 0.00 N ATOM 1292 CA VAL A 84 7.571 -8.259 -7.777 1.00 0.00 C ATOM 1293 C VAL A 84 6.558 -8.686 -6.713 1.00 0.00 C ATOM 1294 O VAL A 84 6.851 -8.640 -5.519 1.00 0.00 O ATOM 1295 CB VAL A 84 8.662 -9.305 -8.018 1.00 0.00 C ATOM 1296 CG1 VAL A 84 9.011 -10.041 -6.724 1.00 0.00 C ATOM 1297 CG2 VAL A 84 8.243 -10.289 -9.113 1.00 0.00 C ATOM 0 H VAL A 84 8.657 -7.011 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 84 7.029 -8.151 -8.716 1.00 0.00 H new ATOM 0 HB VAL A 84 9.557 -8.785 -8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.789 -10.778 -6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.370 -9.326 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.123 -10.544 -6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.035 -11.022 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.328 -10.800 -8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.067 -9.746 -10.042 1.00 0.00 H new ATOM 1307 N VAL A 85 5.388 -9.092 -7.184 1.00 0.00 N ATOM 1308 CA VAL A 85 4.331 -9.526 -6.289 1.00 0.00 C ATOM 1309 C VAL A 85 4.224 -11.052 -6.335 1.00 0.00 C ATOM 1310 O VAL A 85 4.069 -11.635 -7.406 1.00 0.00 O ATOM 1311 CB VAL A 85 3.019 -8.824 -6.647 1.00 0.00 C ATOM 1312 CG1 VAL A 85 2.181 -9.680 -7.598 1.00 0.00 C ATOM 1313 CG2 VAL A 85 2.227 -8.467 -5.388 1.00 0.00 C ATOM 0 H VAL A 85 5.149 -9.129 -8.175 1.00 0.00 H new ATOM 0 HA VAL A 85 4.563 -9.247 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 85 3.266 -7.895 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.254 -9.158 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.742 -9.861 -8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.949 -10.632 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.299 -7.969 -5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.996 -9.376 -4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.820 -7.801 -4.762 1.00 0.00 H new ATOM 1323 N GLN A 86 4.310 -11.655 -5.159 1.00 0.00 N ATOM 1324 CA GLN A 86 4.225 -13.102 -5.051 1.00 0.00 C ATOM 1325 C GLN A 86 3.027 -13.501 -4.187 1.00 0.00 C ATOM 1326 O GLN A 86 2.519 -12.691 -3.413 1.00 0.00 O ATOM 1327 CB GLN A 86 5.523 -13.688 -4.492 1.00 0.00 C ATOM 1328 CG GLN A 86 6.168 -14.647 -5.495 1.00 0.00 C ATOM 1329 CD GLN A 86 7.540 -15.114 -5.003 1.00 0.00 C ATOM 1330 OE1 GLN A 86 8.292 -14.375 -4.390 1.00 0.00 O ATOM 1331 NE2 GLN A 86 7.820 -16.379 -5.304 1.00 0.00 N ATOM 0 H GLN A 86 4.438 -11.168 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 86 4.080 -13.513 -6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.218 -12.882 -4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.317 -14.215 -3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.519 -15.510 -5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.273 -14.152 -6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.144 -16.942 -5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.711 -16.786 -5.019 1.00 0.00 H new ATOM 1340 N LEU A 87 2.611 -14.748 -4.349 1.00 0.00 N ATOM 1341 CA LEU A 87 1.481 -15.264 -3.593 1.00 0.00 C ATOM 1342 C LEU A 87 1.967 -16.366 -2.650 1.00 0.00 C ATOM 1343 O LEU A 87 2.844 -17.152 -3.006 1.00 0.00 O ATOM 1344 CB LEU A 87 0.364 -15.710 -4.538 1.00 0.00 C ATOM 1345 CG LEU A 87 0.566 -17.063 -5.225 1.00 0.00 C ATOM 1346 CD1 LEU A 87 0.361 -18.214 -4.238 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -0.336 -17.193 -6.454 1.00 0.00 C ATOM 0 H LEU A 87 3.035 -15.417 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 87 1.047 -14.481 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.568 -15.747 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.241 -14.949 -5.308 1.00 0.00 H new ATOM 0 HG LEU A 87 1.597 -17.119 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.510 -19.164 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.078 -18.126 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.652 -18.173 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.173 -18.163 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.379 -17.107 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.099 -16.401 -7.165 1.00 0.00 H new ATOM 1359 N GLU A 88 1.374 -16.390 -1.465 1.00 0.00 N ATOM 1360 CA GLU A 88 1.734 -17.383 -0.468 1.00 0.00 C ATOM 1361 C GLU A 88 0.498 -17.811 0.326 1.00 0.00 C ATOM 1362 O GLU A 88 -0.508 -17.104 0.345 1.00 0.00 O ATOM 1363 CB GLU A 88 2.827 -16.854 0.463 1.00 0.00 C ATOM 1364 CG GLU A 88 4.116 -17.665 0.314 1.00 0.00 C ATOM 1365 CD GLU A 88 4.993 -17.537 1.561 1.00 0.00 C ATOM 1366 OE1 GLU A 88 4.584 -16.902 2.543 1.00 0.00 O ATOM 1367 OE2 GLU A 88 6.136 -18.128 1.485 1.00 0.00 O ATOM 0 H GLU A 88 0.647 -15.737 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 88 2.132 -18.258 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.025 -15.806 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.482 -16.899 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.872 -18.714 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.668 -17.319 -0.560 1.00 0.00 H new ATOM 1375 N GLY A 89 0.614 -18.968 0.962 1.00 0.00 N ATOM 1376 CA GLY A 89 -0.481 -19.499 1.755 1.00 0.00 C ATOM 1377 C GLY A 89 -1.690 -19.823 0.874 1.00 0.00 C ATOM 1378 O GLY A 89 -1.542 -20.410 -0.197 1.00 0.00 O ATOM 0 H GLY A 89 1.450 -19.552 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.154 -20.399 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.766 -18.775 2.518 1.00 0.00 H new ATOM 1382 N ASP A 90 -2.857 -19.426 1.357 1.00 0.00 N ATOM 1383 CA ASP A 90 -4.091 -19.668 0.627 1.00 0.00 C ATOM 1384 C ASP A 90 -4.638 -18.337 0.107 1.00 0.00 C ATOM 1385 O ASP A 90 -5.468 -18.316 -0.801 1.00 0.00 O ATOM 1386 CB ASP A 90 -5.153 -20.294 1.532 1.00 0.00 C ATOM 1387 CG ASP A 90 -5.965 -21.421 0.889 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -6.907 -21.171 0.121 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -5.593 -22.613 1.211 1.00 0.00 O ATOM 0 H ASP A 90 -2.975 -18.938 2.245 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.870 -20.350 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.665 -20.682 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.839 -19.512 1.858 1.00 0.00 H new ATOM 1395 N ASN A 91 -4.152 -17.259 0.703 1.00 0.00 N ATOM 1396 CA ASN A 91 -4.582 -15.927 0.312 1.00 0.00 C ATOM 1397 C ASN A 91 -3.647 -14.890 0.935 1.00 0.00 C ATOM 1398 O ASN A 91 -4.063 -14.109 1.791 1.00 0.00 O ATOM 1399 CB ASN A 91 -6.002 -15.641 0.804 1.00 0.00 C ATOM 1400 CG ASN A 91 -6.161 -16.027 2.276 1.00 0.00 C ATOM 1401 OD1 ASN A 91 -5.215 -16.396 2.952 1.00 0.00 O ATOM 1402 ND2 ASN A 91 -7.406 -15.922 2.731 1.00 0.00 N ATOM 0 H ASN A 91 -3.463 -17.280 1.455 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.559 -15.871 -0.776 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.229 -14.583 0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.719 -16.196 0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.616 -16.157 3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.151 -15.606 2.110 1.00 0.00 H new ATOM 1409 N LYS A 92 -2.402 -14.915 0.484 1.00 0.00 N ATOM 1410 CA LYS A 92 -1.404 -13.986 0.987 1.00 0.00 C ATOM 1411 C LYS A 92 -0.555 -13.475 -0.179 1.00 0.00 C ATOM 1412 O LYS A 92 -0.169 -14.247 -1.055 1.00 0.00 O ATOM 1413 CB LYS A 92 -0.586 -14.633 2.106 1.00 0.00 C ATOM 1414 CG LYS A 92 -1.486 -15.422 3.058 1.00 0.00 C ATOM 1415 CD LYS A 92 -0.857 -15.527 4.448 1.00 0.00 C ATOM 1416 CE LYS A 92 -1.534 -16.619 5.277 1.00 0.00 C ATOM 1417 NZ LYS A 92 -0.535 -17.599 5.758 1.00 0.00 N ATOM 0 H LYS A 92 -2.061 -15.564 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.885 -13.117 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.164 -15.296 1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.050 -13.863 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.459 -14.936 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.658 -16.421 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.207 -15.745 4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.942 -14.570 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.051 -16.171 6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.289 -17.126 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.012 -18.334 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.060 -18.039 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.170 -17.114 6.350 1.00 0.00 H new ATOM 1430 N LEU A 93 -0.291 -12.177 -0.153 1.00 0.00 N ATOM 1431 CA LEU A 93 0.505 -11.554 -1.197 1.00 0.00 C ATOM 1432 C LEU A 93 1.833 -11.078 -0.605 1.00 0.00 C ATOM 1433 O LEU A 93 1.850 -10.382 0.410 1.00 0.00 O ATOM 1434 CB LEU A 93 -0.292 -10.447 -1.889 1.00 0.00 C ATOM 1435 CG LEU A 93 -1.098 -10.869 -3.119 1.00 0.00 C ATOM 1436 CD1 LEU A 93 -0.211 -11.596 -4.132 1.00 0.00 C ATOM 1437 CD2 LEU A 93 -2.314 -11.704 -2.718 1.00 0.00 C ATOM 0 H LEU A 93 -0.614 -11.539 0.575 1.00 0.00 H new ATOM 0 HA LEU A 93 0.745 -12.277 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.977 -10.011 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.401 -9.659 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.473 -9.969 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.808 -11.885 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.594 -10.934 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.214 -12.487 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.869 -11.991 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.983 -12.600 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.958 -11.117 -2.063 1.00 0.00 H new ATOM 1449 N VAL A 94 2.913 -11.473 -1.262 1.00 0.00 N ATOM 1450 CA VAL A 94 4.243 -11.095 -0.814 1.00 0.00 C ATOM 1451 C VAL A 94 4.940 -10.296 -1.916 1.00 0.00 C ATOM 1452 O VAL A 94 5.185 -10.815 -3.004 1.00 0.00 O ATOM 1453 CB VAL A 94 5.025 -12.340 -0.390 1.00 0.00 C ATOM 1454 CG1 VAL A 94 6.360 -11.956 0.251 1.00 0.00 C ATOM 1455 CG2 VAL A 94 4.196 -13.215 0.551 1.00 0.00 C ATOM 0 H VAL A 94 2.895 -12.052 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 94 4.183 -10.451 0.064 1.00 0.00 H new ATOM 0 HB VAL A 94 5.239 -12.923 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.896 -12.859 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.959 -11.394 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.177 -11.341 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.776 -14.093 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.936 -12.645 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.284 -13.531 0.045 1.00 0.00 H new ATOM 1465 N THR A 95 5.241 -9.046 -1.596 1.00 0.00 N ATOM 1466 CA THR A 95 5.906 -8.170 -2.545 1.00 0.00 C ATOM 1467 C THR A 95 7.057 -7.423 -1.867 1.00 0.00 C ATOM 1468 O THR A 95 6.984 -7.109 -0.680 1.00 0.00 O ATOM 1469 CB THR A 95 4.852 -7.240 -3.149 1.00 0.00 C ATOM 1470 OG1 THR A 95 5.500 -5.972 -3.207 1.00 0.00 O ATOM 1471 CG2 THR A 95 3.666 -7.010 -2.209 1.00 0.00 C ATOM 0 H THR A 95 5.036 -8.619 -0.692 1.00 0.00 H new ATOM 0 HA THR A 95 6.362 -8.739 -3.355 1.00 0.00 H new ATOM 0 HB THR A 95 4.494 -7.660 -4.089 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.887 -5.309 -3.588 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.948 -6.343 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.186 -7.963 -1.989 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.019 -6.559 -1.281 1.00 0.00 H new ATOM 1479 N THR A 96 8.094 -7.163 -2.650 1.00 0.00 N ATOM 1480 CA THR A 96 9.258 -6.460 -2.140 1.00 0.00 C ATOM 1481 C THR A 96 9.483 -5.163 -2.921 1.00 0.00 C ATOM 1482 O THR A 96 8.970 -5.004 -4.028 1.00 0.00 O ATOM 1483 CB THR A 96 10.451 -7.417 -2.197 1.00 0.00 C ATOM 1484 OG1 THR A 96 9.903 -8.676 -1.816 1.00 0.00 O ATOM 1485 CG2 THR A 96 11.492 -7.121 -1.116 1.00 0.00 C ATOM 0 H THR A 96 8.152 -7.427 -3.634 1.00 0.00 H new ATOM 0 HA THR A 96 9.114 -6.158 -1.103 1.00 0.00 H new ATOM 0 HB THR A 96 10.920 -7.354 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.608 -9.357 -1.827 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.317 -7.829 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.870 -6.106 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.032 -7.217 -0.132 1.00 0.00 H new ATOM 1493 N PHE A 97 10.250 -4.269 -2.313 1.00 0.00 N ATOM 1494 CA PHE A 97 10.548 -2.992 -2.937 1.00 0.00 C ATOM 1495 C PHE A 97 12.035 -2.656 -2.816 1.00 0.00 C ATOM 1496 O PHE A 97 12.749 -3.263 -2.018 1.00 0.00 O ATOM 1497 CB PHE A 97 9.735 -1.930 -2.193 1.00 0.00 C ATOM 1498 CG PHE A 97 8.302 -1.771 -2.705 1.00 0.00 C ATOM 1499 CD1 PHE A 97 7.415 -2.793 -2.572 1.00 0.00 C ATOM 1500 CD2 PHE A 97 7.915 -0.607 -3.293 1.00 0.00 C ATOM 1501 CE1 PHE A 97 6.085 -2.646 -3.047 1.00 0.00 C ATOM 1502 CE2 PHE A 97 6.585 -0.460 -3.769 1.00 0.00 C ATOM 1503 CZ PHE A 97 5.698 -1.482 -3.635 1.00 0.00 C ATOM 0 H PHE A 97 10.674 -4.405 -1.395 1.00 0.00 H new ATOM 0 HA PHE A 97 10.297 -3.029 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.705 -2.186 -1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 97 10.248 -0.972 -2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.722 -3.717 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 97 8.619 0.205 -3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.381 -3.458 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.278 0.463 -4.237 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.686 -1.370 -3.995 1.00 0.00 H new ATOM 1513 N LYS A 98 12.459 -1.691 -3.618 1.00 0.00 N ATOM 1514 CA LYS A 98 13.850 -1.267 -3.610 1.00 0.00 C ATOM 1515 C LYS A 98 14.313 -1.080 -2.165 1.00 0.00 C ATOM 1516 O LYS A 98 13.809 -0.209 -1.456 1.00 0.00 O ATOM 1517 CB LYS A 98 14.036 -0.025 -4.482 1.00 0.00 C ATOM 1518 CG LYS A 98 15.491 0.116 -4.932 1.00 0.00 C ATOM 1519 CD LYS A 98 16.453 -0.193 -3.784 1.00 0.00 C ATOM 1520 CE LYS A 98 17.870 0.283 -4.111 1.00 0.00 C ATOM 1521 NZ LYS A 98 18.863 -0.752 -3.742 1.00 0.00 N ATOM 0 H LYS A 98 11.864 -1.190 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 98 14.485 -2.035 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.386 -0.088 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.736 0.863 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 98 15.685 -0.560 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 98 15.666 1.129 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 98 16.104 0.292 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 98 16.462 -1.266 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 98 17.948 0.507 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 98 18.083 1.207 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 19.819 -0.413 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 18.799 -0.947 -2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 18.669 -1.624 -4.274 1.00 0.00 H new ATOM 1534 N ASN A 99 15.266 -1.910 -1.770 1.00 0.00 N ATOM 1535 CA ASN A 99 15.804 -1.845 -0.421 1.00 0.00 C ATOM 1536 C ASN A 99 14.651 -1.720 0.577 1.00 0.00 C ATOM 1537 O ASN A 99 14.835 -1.213 1.682 1.00 0.00 O ATOM 1538 CB ASN A 99 16.714 -0.629 -0.248 1.00 0.00 C ATOM 1539 CG ASN A 99 17.794 -0.896 0.802 1.00 0.00 C ATOM 1540 OD1 ASN A 99 18.091 -2.027 1.151 1.00 0.00 O ATOM 1541 ND2 ASN A 99 18.364 0.204 1.286 1.00 0.00 N ATOM 0 H ASN A 99 15.680 -2.632 -2.360 1.00 0.00 H new ATOM 0 HA ASN A 99 16.380 -2.753 -0.244 1.00 0.00 H new ATOM 0 HB2 ASN A 99 17.182 -0.382 -1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 99 16.119 0.235 0.049 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.096 0.130 1.992 1.00 0.00 H new ATOM 0 HD22 ASN A 99 18.069 1.121 0.951 1.00 0.00 H new ATOM 1548 N ILE A 100 13.488 -2.190 0.151 1.00 0.00 N ATOM 1549 CA ILE A 100 12.304 -2.136 0.993 1.00 0.00 C ATOM 1550 C ILE A 100 11.637 -3.512 1.015 1.00 0.00 C ATOM 1551 O ILE A 100 11.485 -4.148 -0.027 1.00 0.00 O ATOM 1552 CB ILE A 100 11.375 -1.008 0.540 1.00 0.00 C ATOM 1553 CG1 ILE A 100 11.980 0.362 0.855 1.00 0.00 C ATOM 1554 CG2 ILE A 100 9.979 -1.171 1.146 1.00 0.00 C ATOM 1555 CD1 ILE A 100 11.441 1.431 -0.096 1.00 0.00 C ATOM 0 H ILE A 100 13.340 -2.610 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 100 12.577 -1.898 2.021 1.00 0.00 H new ATOM 0 HB ILE A 100 11.266 -1.070 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 100 11.750 0.637 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 100 13.066 0.312 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.338 -0.356 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.553 -2.123 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.050 -1.150 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.887 2.395 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 100 11.693 1.165 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.358 1.496 0.006 1.00 0.00 H new ATOM 1567 N LYS A 101 11.256 -3.930 2.213 1.00 0.00 N ATOM 1568 CA LYS A 101 10.607 -5.219 2.383 1.00 0.00 C ATOM 1569 C LYS A 101 9.109 -5.006 2.609 1.00 0.00 C ATOM 1570 O LYS A 101 8.709 -4.348 3.567 1.00 0.00 O ATOM 1571 CB LYS A 101 11.288 -6.018 3.497 1.00 0.00 C ATOM 1572 CG LYS A 101 10.311 -7.003 4.142 1.00 0.00 C ATOM 1573 CD LYS A 101 11.055 -8.189 4.759 1.00 0.00 C ATOM 1574 CE LYS A 101 11.438 -7.901 6.212 1.00 0.00 C ATOM 1575 NZ LYS A 101 12.721 -7.165 6.274 1.00 0.00 N ATOM 0 H LYS A 101 11.384 -3.399 3.075 1.00 0.00 H new ATOM 0 HA LYS A 101 10.711 -5.820 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.142 -6.561 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.675 -5.336 4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.730 -6.494 4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.604 -7.362 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.428 -9.079 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.952 -8.402 4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.653 -7.317 6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.522 -8.837 6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.410 -7.714 6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.086 -7.022 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.570 -6.241 6.728 1.00 0.00 H new ATOM 1588 N SER A 102 8.321 -5.575 1.708 1.00 0.00 N ATOM 1589 CA SER A 102 6.876 -5.456 1.796 1.00 0.00 C ATOM 1590 C SER A 102 6.256 -6.817 2.119 1.00 0.00 C ATOM 1591 O SER A 102 6.794 -7.854 1.734 1.00 0.00 O ATOM 1592 CB SER A 102 6.289 -4.901 0.496 1.00 0.00 C ATOM 1593 OG SER A 102 5.708 -3.612 0.680 1.00 0.00 O ATOM 0 H SER A 102 8.656 -6.120 0.914 1.00 0.00 H new ATOM 0 HA SER A 102 6.639 -4.757 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.073 -4.841 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.533 -5.589 0.117 1.00 0.00 H new ATOM 0 HG SER A 102 5.346 -3.292 -0.173 1.00 0.00 H new ATOM 1599 N VAL A 103 5.135 -6.769 2.823 1.00 0.00 N ATOM 1600 CA VAL A 103 4.438 -7.986 3.203 1.00 0.00 C ATOM 1601 C VAL A 103 2.929 -7.728 3.193 1.00 0.00 C ATOM 1602 O VAL A 103 2.440 -6.854 3.907 1.00 0.00 O ATOM 1603 CB VAL A 103 4.949 -8.481 4.557 1.00 0.00 C ATOM 1604 CG1 VAL A 103 3.882 -9.307 5.278 1.00 0.00 C ATOM 1605 CG2 VAL A 103 6.243 -9.281 4.394 1.00 0.00 C ATOM 0 H VAL A 103 4.692 -5.907 3.140 1.00 0.00 H new ATOM 0 HA VAL A 103 4.638 -8.781 2.484 1.00 0.00 H new ATOM 0 HB VAL A 103 5.168 -7.608 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.272 -9.646 6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.996 -8.693 5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.617 -10.171 4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.586 -9.622 5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.059 -10.143 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.007 -8.649 3.942 1.00 0.00 H new ATOM 1615 N THR A 104 2.235 -8.503 2.372 1.00 0.00 N ATOM 1616 CA THR A 104 0.792 -8.370 2.260 1.00 0.00 C ATOM 1617 C THR A 104 0.099 -9.649 2.733 1.00 0.00 C ATOM 1618 O THR A 104 0.561 -10.753 2.446 1.00 0.00 O ATOM 1619 CB THR A 104 0.463 -8.002 0.812 1.00 0.00 C ATOM 1620 OG1 THR A 104 1.691 -7.490 0.296 1.00 0.00 O ATOM 1621 CG2 THR A 104 -0.504 -6.821 0.712 1.00 0.00 C ATOM 0 H THR A 104 2.645 -9.224 1.779 1.00 0.00 H new ATOM 0 HA THR A 104 0.417 -7.577 2.907 1.00 0.00 H new ATOM 0 HB THR A 104 0.032 -8.867 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.510 -6.946 -0.499 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.703 -6.602 -0.337 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.438 -7.072 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.060 -5.946 1.187 1.00 0.00 H new ATOM 1629 N GLU A 105 -0.997 -9.458 3.451 1.00 0.00 N ATOM 1630 CA GLU A 105 -1.759 -10.583 3.968 1.00 0.00 C ATOM 1631 C GLU A 105 -3.257 -10.344 3.774 1.00 0.00 C ATOM 1632 O GLU A 105 -3.776 -9.294 4.152 1.00 0.00 O ATOM 1633 CB GLU A 105 -1.429 -10.839 5.440 1.00 0.00 C ATOM 1634 CG GLU A 105 -0.020 -11.413 5.595 1.00 0.00 C ATOM 1635 CD GLU A 105 0.861 -10.482 6.431 1.00 0.00 C ATOM 1636 OE1 GLU A 105 0.599 -9.272 6.495 1.00 0.00 O ATOM 1637 OE2 GLU A 105 1.850 -11.058 7.027 1.00 0.00 O ATOM 0 H GLU A 105 -1.376 -8.541 3.687 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.479 -11.475 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -1.510 -9.908 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -2.156 -11.531 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.073 -12.393 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.428 -11.558 4.612 1.00 0.00 H new ATOM 1645 N LEU A 106 -3.912 -11.335 3.186 1.00 0.00 N ATOM 1646 CA LEU A 106 -5.341 -11.245 2.939 1.00 0.00 C ATOM 1647 C LEU A 106 -6.088 -12.076 3.984 1.00 0.00 C ATOM 1648 O LEU A 106 -5.892 -13.286 4.076 1.00 0.00 O ATOM 1649 CB LEU A 106 -5.660 -11.641 1.495 1.00 0.00 C ATOM 1650 CG LEU A 106 -6.279 -10.548 0.622 1.00 0.00 C ATOM 1651 CD1 LEU A 106 -6.391 -11.007 -0.833 1.00 0.00 C ATOM 1652 CD2 LEU A 106 -7.627 -10.095 1.185 1.00 0.00 C ATOM 0 H LEU A 106 -3.479 -12.204 2.874 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.683 -10.216 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.739 -11.980 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.341 -12.492 1.514 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.617 -9.683 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.834 -10.212 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.399 -11.241 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.020 -11.895 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.046 -9.318 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.310 -10.943 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.487 -9.701 2.191 1.00 0.00 H new ATOM 1664 N ASN A 107 -6.931 -11.391 4.745 1.00 0.00 N ATOM 1665 CA ASN A 107 -7.708 -12.052 5.779 1.00 0.00 C ATOM 1666 C ASN A 107 -9.161 -11.575 5.701 1.00 0.00 C ATOM 1667 O ASN A 107 -9.438 -10.388 5.867 1.00 0.00 O ATOM 1668 CB ASN A 107 -7.174 -11.711 7.171 1.00 0.00 C ATOM 1669 CG ASN A 107 -6.742 -12.975 7.917 1.00 0.00 C ATOM 1670 OD1 ASN A 107 -5.815 -13.669 7.529 1.00 0.00 O ATOM 1671 ND2 ASN A 107 -7.461 -13.235 9.005 1.00 0.00 N ATOM 0 H ASN A 107 -7.092 -10.387 4.666 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.638 -13.128 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.328 -11.029 7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.943 -11.192 7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -7.250 -14.057 9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.223 -12.613 9.273 1.00 0.00 H new ATOM 1678 N GLY A 108 -10.049 -12.525 5.449 1.00 0.00 N ATOM 1679 CA GLY A 108 -11.466 -12.217 5.347 1.00 0.00 C ATOM 1680 C GLY A 108 -12.023 -11.751 6.693 1.00 0.00 C ATOM 1681 O GLY A 108 -12.781 -12.473 7.338 1.00 0.00 O ATOM 0 H GLY A 108 -9.815 -13.508 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.620 -11.441 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.010 -13.099 5.010 1.00 0.00 H new ATOM 1685 N ASP A 109 -11.627 -10.545 7.076 1.00 0.00 N ATOM 1686 CA ASP A 109 -12.078 -9.975 8.334 1.00 0.00 C ATOM 1687 C ASP A 109 -11.070 -8.923 8.802 1.00 0.00 C ATOM 1688 O ASP A 109 -11.456 -7.877 9.321 1.00 0.00 O ATOM 1689 CB ASP A 109 -12.182 -11.047 9.420 1.00 0.00 C ATOM 1690 CG ASP A 109 -13.601 -11.541 9.707 1.00 0.00 C ATOM 1691 OD1 ASP A 109 -13.908 -12.732 9.546 1.00 0.00 O ATOM 1692 OD2 ASP A 109 -14.422 -10.635 10.117 1.00 0.00 O ATOM 0 H ASP A 109 -10.999 -9.948 6.537 1.00 0.00 H new ATOM 0 HA ASP A 109 -13.061 -9.533 8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.569 -11.899 9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.758 -10.651 10.343 1.00 0.00 H new ATOM 1698 N ILE A 110 -9.799 -9.239 8.603 1.00 0.00 N ATOM 1699 CA ILE A 110 -8.733 -8.334 8.999 1.00 0.00 C ATOM 1700 C ILE A 110 -7.746 -8.177 7.840 1.00 0.00 C ATOM 1701 O ILE A 110 -7.478 -9.134 7.114 1.00 0.00 O ATOM 1702 CB ILE A 110 -8.082 -8.809 10.300 1.00 0.00 C ATOM 1703 CG1 ILE A 110 -9.143 -9.181 11.339 1.00 0.00 C ATOM 1704 CG2 ILE A 110 -7.097 -7.767 10.832 1.00 0.00 C ATOM 1705 CD1 ILE A 110 -9.769 -7.928 11.954 1.00 0.00 C ATOM 0 H ILE A 110 -9.483 -10.108 8.173 1.00 0.00 H new ATOM 0 HA ILE A 110 -9.135 -7.344 9.213 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.510 -9.712 10.087 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.919 -9.788 10.871 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.692 -9.789 12.123 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.648 -8.129 11.757 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.315 -7.595 10.093 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.625 -6.833 11.026 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.519 -8.219 12.689 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.994 -7.336 12.442 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -10.240 -7.334 11.170 1.00 0.00 H new ATOM 1717 N ILE A 111 -7.234 -6.964 7.701 1.00 0.00 N ATOM 1718 CA ILE A 111 -6.283 -6.669 6.643 1.00 0.00 C ATOM 1719 C ILE A 111 -5.150 -5.809 7.205 1.00 0.00 C ATOM 1720 O ILE A 111 -5.379 -4.680 7.637 1.00 0.00 O ATOM 1721 CB ILE A 111 -6.995 -6.041 5.442 1.00 0.00 C ATOM 1722 CG1 ILE A 111 -6.427 -6.575 4.126 1.00 0.00 C ATOM 1723 CG2 ILE A 111 -6.941 -4.513 5.512 1.00 0.00 C ATOM 1724 CD1 ILE A 111 -7.364 -6.263 2.958 1.00 0.00 C ATOM 0 H ILE A 111 -7.460 -6.173 8.304 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.830 -7.588 6.271 1.00 0.00 H new ATOM 0 HB ILE A 111 -8.046 -6.329 5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.449 -6.131 3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.279 -7.652 4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.454 -4.091 4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.429 -4.173 6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.901 -4.185 5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.937 -6.653 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.333 -6.729 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.491 -5.184 2.871 1.00 0.00 H new ATOM 1736 N THR A 112 -3.953 -6.374 7.183 1.00 0.00 N ATOM 1737 CA THR A 112 -2.783 -5.673 7.685 1.00 0.00 C ATOM 1738 C THR A 112 -1.735 -5.526 6.581 1.00 0.00 C ATOM 1739 O THR A 112 -1.497 -6.461 5.818 1.00 0.00 O ATOM 1740 CB THR A 112 -2.271 -6.428 8.914 1.00 0.00 C ATOM 1741 OG1 THR A 112 -1.369 -5.514 9.531 1.00 0.00 O ATOM 1742 CG2 THR A 112 -1.393 -7.624 8.542 1.00 0.00 C ATOM 0 H THR A 112 -3.767 -7.311 6.825 1.00 0.00 H new ATOM 0 HA THR A 112 -3.031 -4.657 7.990 1.00 0.00 H new ATOM 0 HB THR A 112 -3.118 -6.770 9.509 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.991 -5.922 10.338 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.056 -8.124 9.450 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.968 -8.323 7.935 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.528 -7.278 7.976 1.00 0.00 H new ATOM 1750 N ASN A 113 -1.136 -4.345 6.532 1.00 0.00 N ATOM 1751 CA ASN A 113 -0.117 -4.064 5.535 1.00 0.00 C ATOM 1752 C ASN A 113 1.123 -3.492 6.224 1.00 0.00 C ATOM 1753 O ASN A 113 1.018 -2.574 7.037 1.00 0.00 O ATOM 1754 CB ASN A 113 -0.612 -3.031 4.519 1.00 0.00 C ATOM 1755 CG ASN A 113 0.173 -3.131 3.209 1.00 0.00 C ATOM 1756 OD1 ASN A 113 1.286 -3.628 3.159 1.00 0.00 O ATOM 1757 ND2 ASN A 113 -0.467 -2.631 2.156 1.00 0.00 N ATOM 0 H ASN A 113 -1.337 -3.572 7.166 1.00 0.00 H new ATOM 0 HA ASN A 113 0.116 -4.996 5.020 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -1.673 -3.187 4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.508 -2.028 4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.027 -2.649 1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.398 -2.229 2.268 1.00 0.00 H new ATOM 1764 N THR A 114 2.268 -4.059 5.876 1.00 0.00 N ATOM 1765 CA THR A 114 3.528 -3.618 6.452 1.00 0.00 C ATOM 1766 C THR A 114 4.250 -2.671 5.492 1.00 0.00 C ATOM 1767 O THR A 114 4.274 -2.904 4.284 1.00 0.00 O ATOM 1768 CB THR A 114 4.345 -4.860 6.811 1.00 0.00 C ATOM 1769 OG1 THR A 114 4.136 -5.743 5.712 1.00 0.00 O ATOM 1770 CG2 THR A 114 3.768 -5.614 8.011 1.00 0.00 C ATOM 0 H THR A 114 2.351 -4.820 5.202 1.00 0.00 H new ATOM 0 HA THR A 114 3.367 -3.044 7.364 1.00 0.00 H new ATOM 0 HB THR A 114 5.373 -4.568 7.026 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.460 -6.410 5.952 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.385 -6.487 8.223 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.755 -4.958 8.881 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.751 -5.935 7.784 1.00 0.00 H new ATOM 1778 N MET A 115 4.824 -1.623 6.064 1.00 0.00 N ATOM 1779 CA MET A 115 5.546 -0.640 5.274 1.00 0.00 C ATOM 1780 C MET A 115 6.816 -0.183 5.994 1.00 0.00 C ATOM 1781 O MET A 115 6.755 0.288 7.129 1.00 0.00 O ATOM 1782 CB MET A 115 4.644 0.567 5.012 1.00 0.00 C ATOM 1783 CG MET A 115 3.957 0.453 3.650 1.00 0.00 C ATOM 1784 SD MET A 115 4.196 1.957 2.718 1.00 0.00 S ATOM 1785 CE MET A 115 4.917 1.287 1.229 1.00 0.00 C ATOM 0 H MET A 115 4.804 -1.433 7.066 1.00 0.00 H new ATOM 0 HA MET A 115 5.833 -1.101 4.329 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.892 0.641 5.798 1.00 0.00 H new ATOM 0 HB3 MET A 115 5.235 1.482 5.050 1.00 0.00 H new ATOM 0 HG2 MET A 115 4.363 -0.395 3.098 1.00 0.00 H new ATOM 0 HG3 MET A 115 2.892 0.265 3.785 1.00 0.00 H new ATOM 0 HE1 MET A 115 5.131 2.097 0.532 1.00 0.00 H new ATOM 0 HE2 MET A 115 5.843 0.767 1.475 1.00 0.00 H new ATOM 0 HE3 MET A 115 4.219 0.587 0.769 1.00 0.00 H new ATOM 1795 N THR A 116 7.937 -0.338 5.306 1.00 0.00 N ATOM 1796 CA THR A 116 9.219 0.052 5.865 1.00 0.00 C ATOM 1797 C THR A 116 9.957 0.988 4.906 1.00 0.00 C ATOM 1798 O THR A 116 10.150 0.658 3.737 1.00 0.00 O ATOM 1799 CB THR A 116 10.000 -1.221 6.193 1.00 0.00 C ATOM 1800 OG1 THR A 116 11.092 -0.766 6.986 1.00 0.00 O ATOM 1801 CG2 THR A 116 10.667 -1.833 4.958 1.00 0.00 C ATOM 0 H THR A 116 7.984 -0.729 4.365 1.00 0.00 H new ATOM 0 HA THR A 116 9.091 0.618 6.788 1.00 0.00 H new ATOM 0 HB THR A 116 9.328 -1.952 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.649 -1.530 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.208 -2.734 5.246 1.00 0.00 H new ATOM 0 HG22 THR A 116 9.905 -2.087 4.221 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.363 -1.114 4.527 1.00 0.00 H new ATOM 1809 N LEU A 117 10.351 2.137 5.437 1.00 0.00 N ATOM 1810 CA LEU A 117 11.063 3.123 4.641 1.00 0.00 C ATOM 1811 C LEU A 117 12.101 3.826 5.519 1.00 0.00 C ATOM 1812 O LEU A 117 11.757 4.414 6.543 1.00 0.00 O ATOM 1813 CB LEU A 117 10.079 4.080 3.967 1.00 0.00 C ATOM 1814 CG LEU A 117 10.563 4.736 2.672 1.00 0.00 C ATOM 1815 CD1 LEU A 117 9.427 5.499 1.988 1.00 0.00 C ATOM 1816 CD2 LEU A 117 11.779 5.628 2.930 1.00 0.00 C ATOM 0 H LEU A 117 10.191 2.407 6.408 1.00 0.00 H new ATOM 0 HA LEU A 117 11.606 2.638 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 117 9.160 3.534 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 117 9.824 4.867 4.677 1.00 0.00 H new ATOM 0 HG LEU A 117 10.881 3.949 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.797 5.956 1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.617 4.809 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.056 6.276 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.103 6.082 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 117 11.512 6.411 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.590 5.027 3.341 1.00 0.00 H new ATOM 1828 N GLY A 118 13.351 3.740 5.086 1.00 0.00 N ATOM 1829 CA GLY A 118 14.440 4.360 5.820 1.00 0.00 C ATOM 1830 C GLY A 118 14.981 3.420 6.900 1.00 0.00 C ATOM 1831 O GLY A 118 16.191 3.319 7.091 1.00 0.00 O ATOM 0 H GLY A 118 13.633 3.251 4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 118 15.241 4.627 5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 118 14.093 5.285 6.279 1.00 0.00 H new ATOM 1835 N ASP A 119 14.055 2.757 7.577 1.00 0.00 N ATOM 1836 CA ASP A 119 14.423 1.828 8.632 1.00 0.00 C ATOM 1837 C ASP A 119 13.226 1.620 9.562 1.00 0.00 C ATOM 1838 O ASP A 119 13.101 0.572 10.193 1.00 0.00 O ATOM 1839 CB ASP A 119 15.582 2.375 9.468 1.00 0.00 C ATOM 1840 CG ASP A 119 15.689 1.798 10.881 1.00 0.00 C ATOM 1841 OD1 ASP A 119 14.819 2.034 11.734 1.00 0.00 O ATOM 1842 OD2 ASP A 119 16.731 1.070 11.095 1.00 0.00 O ATOM 0 H ASP A 119 13.052 2.844 7.416 1.00 0.00 H new ATOM 0 HA ASP A 119 14.726 0.890 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.515 2.179 8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.478 3.458 9.541 1.00 0.00 H new ATOM 1848 N ILE A 120 12.378 2.636 9.619 1.00 0.00 N ATOM 1849 CA ILE A 120 11.195 2.578 10.461 1.00 0.00 C ATOM 1850 C ILE A 120 10.065 1.884 9.699 1.00 0.00 C ATOM 1851 O ILE A 120 9.658 2.341 8.632 1.00 0.00 O ATOM 1852 CB ILE A 120 10.829 3.974 10.968 1.00 0.00 C ATOM 1853 CG1 ILE A 120 12.034 4.655 11.619 1.00 0.00 C ATOM 1854 CG2 ILE A 120 9.624 3.917 11.909 1.00 0.00 C ATOM 1855 CD1 ILE A 120 12.105 6.133 11.231 1.00 0.00 C ATOM 0 H ILE A 120 12.487 3.505 9.096 1.00 0.00 H new ATOM 0 HA ILE A 120 11.391 1.982 11.352 1.00 0.00 H new ATOM 0 HB ILE A 120 10.540 4.583 10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 120 11.966 4.563 12.703 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.950 4.151 11.313 1.00 0.00 H new ATOM 0 HG21 ILE A 120 9.385 4.923 12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 120 8.767 3.502 11.378 1.00 0.00 H new ATOM 0 HG23 ILE A 120 9.861 3.285 12.765 1.00 0.00 H new ATOM 0 HD11 ILE A 120 12.971 6.593 11.707 1.00 0.00 H new ATOM 0 HD12 ILE A 120 12.197 6.221 10.148 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.198 6.640 11.560 1.00 0.00 H new ATOM 1867 N VAL A 121 9.588 0.790 10.276 1.00 0.00 N ATOM 1868 CA VAL A 121 8.512 0.028 9.664 1.00 0.00 C ATOM 1869 C VAL A 121 7.223 0.249 10.457 1.00 0.00 C ATOM 1870 O VAL A 121 7.210 0.114 11.680 1.00 0.00 O ATOM 1871 CB VAL A 121 8.908 -1.446 9.563 1.00 0.00 C ATOM 1872 CG1 VAL A 121 9.163 -2.041 10.949 1.00 0.00 C ATOM 1873 CG2 VAL A 121 7.844 -2.248 8.810 1.00 0.00 C ATOM 0 H VAL A 121 9.927 0.413 11.161 1.00 0.00 H new ATOM 0 HA VAL A 121 8.330 0.372 8.646 1.00 0.00 H new ATOM 0 HB VAL A 121 9.837 -1.506 8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.443 -3.090 10.849 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.971 -1.495 11.436 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.257 -1.963 11.551 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.149 -3.293 8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.893 -2.177 9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.731 -1.847 7.803 1.00 0.00 H new ATOM 1883 N PHE A 122 6.169 0.586 9.729 1.00 0.00 N ATOM 1884 CA PHE A 122 4.877 0.827 10.348 1.00 0.00 C ATOM 1885 C PHE A 122 3.815 -0.123 9.791 1.00 0.00 C ATOM 1886 O PHE A 122 3.896 -0.539 8.636 1.00 0.00 O ATOM 1887 CB PHE A 122 4.482 2.267 10.015 1.00 0.00 C ATOM 1888 CG PHE A 122 3.821 2.430 8.645 1.00 0.00 C ATOM 1889 CD1 PHE A 122 2.530 2.042 8.462 1.00 0.00 C ATOM 1890 CD2 PHE A 122 4.524 2.960 7.609 1.00 0.00 C ATOM 1891 CE1 PHE A 122 1.916 2.192 7.190 1.00 0.00 C ATOM 1892 CE2 PHE A 122 3.910 3.111 6.337 1.00 0.00 C ATOM 1893 CZ PHE A 122 2.620 2.724 6.155 1.00 0.00 C ATOM 0 H PHE A 122 6.183 0.698 8.715 1.00 0.00 H new ATOM 0 HA PHE A 122 4.944 0.662 11.423 1.00 0.00 H new ATOM 0 HB2 PHE A 122 3.799 2.632 10.782 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.372 2.895 10.055 1.00 0.00 H new ATOM 0 HD1 PHE A 122 1.972 1.620 9.284 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.550 3.266 7.753 1.00 0.00 H new ATOM 0 HE1 PHE A 122 0.891 1.884 7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 122 4.468 3.533 5.515 1.00 0.00 H new ATOM 0 HZ PHE A 122 2.154 2.839 5.188 1.00 0.00 H new ATOM 1903 N LYS A 123 2.844 -0.437 10.635 1.00 0.00 N ATOM 1904 CA LYS A 123 1.768 -1.331 10.241 1.00 0.00 C ATOM 1905 C LYS A 123 0.463 -0.538 10.148 1.00 0.00 C ATOM 1906 O LYS A 123 0.304 0.485 10.811 1.00 0.00 O ATOM 1907 CB LYS A 123 1.693 -2.530 11.188 1.00 0.00 C ATOM 1908 CG LYS A 123 2.996 -3.331 11.161 1.00 0.00 C ATOM 1909 CD LYS A 123 3.425 -3.726 12.576 1.00 0.00 C ATOM 1910 CE LYS A 123 4.860 -3.275 12.860 1.00 0.00 C ATOM 1911 NZ LYS A 123 4.894 -1.832 13.184 1.00 0.00 N ATOM 0 H LYS A 123 2.779 -0.088 11.591 1.00 0.00 H new ATOM 0 HA LYS A 123 1.961 -1.748 9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 123 1.495 -2.185 12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.861 -3.173 10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.864 -4.226 10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 123 3.781 -2.739 10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.748 -3.278 13.303 1.00 0.00 H new ATOM 0 HD3 LYS A 123 3.350 -4.807 12.694 1.00 0.00 H new ATOM 0 HE2 LYS A 123 5.271 -3.850 13.690 1.00 0.00 H new ATOM 0 HE3 LYS A 123 5.489 -3.474 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 5.874 -1.542 13.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 4.521 -1.287 12.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 4.310 -1.651 14.026 1.00 0.00 H new ATOM 1924 N ARG A 124 -0.439 -1.041 9.317 1.00 0.00 N ATOM 1925 CA ARG A 124 -1.726 -0.393 9.128 1.00 0.00 C ATOM 1926 C ARG A 124 -2.857 -1.416 9.248 1.00 0.00 C ATOM 1927 O ARG A 124 -2.866 -2.424 8.543 1.00 0.00 O ATOM 1928 CB ARG A 124 -1.804 0.286 7.760 1.00 0.00 C ATOM 1929 CG ARG A 124 -2.852 1.401 7.761 1.00 0.00 C ATOM 1930 CD ARG A 124 -2.645 2.349 6.578 1.00 0.00 C ATOM 1931 NE ARG A 124 -2.759 3.755 7.028 1.00 0.00 N ATOM 1932 CZ ARG A 124 -2.242 4.807 6.360 1.00 0.00 C ATOM 1933 NH1 ARG A 124 -1.571 4.623 5.204 1.00 0.00 N ATOM 1934 NH2 ARG A 124 -2.404 6.021 6.855 1.00 0.00 N ATOM 0 H ARG A 124 -0.304 -1.889 8.767 1.00 0.00 H new ATOM 0 HA ARG A 124 -1.834 0.365 9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -0.829 0.698 7.498 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.053 -0.452 6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.851 0.967 7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.792 1.960 8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -1.664 2.180 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -3.385 2.145 5.804 1.00 0.00 H new ATOM 0 HE ARG A 124 -3.260 3.940 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -1.451 3.682 4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -1.184 5.424 4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.913 6.152 7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -2.020 6.828 6.363 1.00 0.00 H new ATOM 1947 N ILE A 125 -3.786 -1.121 10.147 1.00 0.00 N ATOM 1948 CA ILE A 125 -4.920 -2.002 10.367 1.00 0.00 C ATOM 1949 C ILE A 125 -6.136 -1.461 9.613 1.00 0.00 C ATOM 1950 O ILE A 125 -6.359 -0.251 9.573 1.00 0.00 O ATOM 1951 CB ILE A 125 -5.162 -2.197 11.865 1.00 0.00 C ATOM 1952 CG1 ILE A 125 -3.901 -2.706 12.563 1.00 0.00 C ATOM 1953 CG2 ILE A 125 -6.363 -3.113 12.111 1.00 0.00 C ATOM 1954 CD1 ILE A 125 -3.859 -2.250 14.024 1.00 0.00 C ATOM 0 H ILE A 125 -3.776 -0.285 10.731 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.714 -2.995 9.968 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.401 -1.227 12.301 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.870 -3.795 12.517 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.018 -2.340 12.039 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.514 -3.235 13.184 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.255 -2.670 11.667 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.177 -4.087 11.657 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.952 -2.626 14.497 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.865 -1.161 14.066 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.730 -2.638 14.551 1.00 0.00 H new ATOM 1966 N SER A 126 -6.890 -2.382 9.032 1.00 0.00 N ATOM 1967 CA SER A 126 -8.078 -2.012 8.281 1.00 0.00 C ATOM 1968 C SER A 126 -9.113 -3.137 8.350 1.00 0.00 C ATOM 1969 O SER A 126 -8.765 -4.289 8.606 1.00 0.00 O ATOM 1970 CB SER A 126 -7.732 -1.697 6.824 1.00 0.00 C ATOM 1971 OG SER A 126 -7.915 -0.317 6.519 1.00 0.00 O ATOM 0 H SER A 126 -6.702 -3.384 9.066 1.00 0.00 H new ATOM 0 HA SER A 126 -8.499 -1.112 8.729 1.00 0.00 H new ATOM 0 HB2 SER A 126 -6.697 -1.978 6.628 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.356 -2.300 6.164 1.00 0.00 H new ATOM 0 HG SER A 126 -8.869 -0.095 6.565 1.00 0.00 H new ATOM 1977 N LYS A 127 -10.362 -2.764 8.117 1.00 0.00 N ATOM 1978 CA LYS A 127 -11.450 -3.728 8.149 1.00 0.00 C ATOM 1979 C LYS A 127 -12.367 -3.495 6.948 1.00 0.00 C ATOM 1980 O LYS A 127 -12.394 -2.402 6.385 1.00 0.00 O ATOM 1981 CB LYS A 127 -12.173 -3.674 9.496 1.00 0.00 C ATOM 1982 CG LYS A 127 -12.282 -5.068 10.116 1.00 0.00 C ATOM 1983 CD LYS A 127 -13.619 -5.722 9.762 1.00 0.00 C ATOM 1984 CE LYS A 127 -14.623 -5.573 10.908 1.00 0.00 C ATOM 1985 NZ LYS A 127 -14.948 -6.896 11.488 1.00 0.00 N ATOM 0 H LYS A 127 -10.646 -1.807 7.905 1.00 0.00 H new ATOM 0 HA LYS A 127 -11.063 -4.743 8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -11.636 -3.011 10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -13.169 -3.253 9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -11.462 -5.693 9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.183 -4.997 11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.023 -5.266 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.465 -6.779 9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -14.210 -4.923 11.679 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -15.533 -5.096 10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -15.630 -6.777 12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -15.362 -7.505 10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -14.080 -7.337 11.855 1.00 0.00 H new ATOM 1998 N ARG A 128 -13.097 -4.542 6.590 1.00 0.00 N ATOM 1999 CA ARG A 128 -14.014 -4.465 5.466 1.00 0.00 C ATOM 2000 C ARG A 128 -15.243 -3.632 5.837 1.00 0.00 C ATOM 2001 O ARG A 128 -15.842 -3.840 6.892 1.00 0.00 O ATOM 2002 CB ARG A 128 -14.466 -5.860 5.027 1.00 0.00 C ATOM 2003 CG ARG A 128 -14.960 -5.846 3.579 1.00 0.00 C ATOM 2004 CD ARG A 128 -16.467 -6.103 3.511 1.00 0.00 C ATOM 2005 NE ARG A 128 -16.724 -7.543 3.290 1.00 0.00 N ATOM 2006 CZ ARG A 128 -17.949 -8.111 3.345 1.00 0.00 C ATOM 2007 NH1 ARG A 128 -19.039 -7.362 3.614 1.00 0.00 N ATOM 2008 NH2 ARG A 128 -18.062 -9.409 3.131 1.00 0.00 N ATOM 0 H ARG A 128 -13.072 -5.448 7.059 1.00 0.00 H new ATOM 0 HA ARG A 128 -13.485 -3.989 4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -13.638 -6.562 5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -15.262 -6.211 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -14.731 -4.883 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -14.432 -6.606 3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -16.942 -5.778 4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -16.908 -5.518 2.704 1.00 0.00 H new ATOM 0 HE ARG A 128 -15.927 -8.145 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -18.942 -6.360 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -19.960 -7.798 3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -17.232 -9.967 2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -18.979 -9.854 3.169 1.00 0.00 H new ATOM 2021 N ILE A 129 -15.581 -2.707 4.952 1.00 0.00 N ATOM 2022 CA ILE A 129 -16.727 -1.841 5.174 1.00 0.00 C ATOM 2023 C ILE A 129 -17.954 -2.698 5.489 1.00 0.00 C ATOM 2024 O ILE A 129 -18.852 -2.263 6.209 1.00 0.00 O ATOM 2025 CB ILE A 129 -16.924 -0.897 3.987 1.00 0.00 C ATOM 2026 CG1 ILE A 129 -16.981 -1.677 2.671 1.00 0.00 C ATOM 2027 CG2 ILE A 129 -15.846 0.189 3.964 1.00 0.00 C ATOM 2028 CD1 ILE A 129 -18.422 -1.810 2.174 1.00 0.00 C ATOM 0 H ILE A 129 -15.081 -2.538 4.079 1.00 0.00 H new ATOM 0 HA ILE A 129 -16.557 -1.198 6.037 1.00 0.00 H new ATOM 0 HB ILE A 129 -17.884 -0.394 4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -16.378 -1.170 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -16.548 -2.667 2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -16.010 0.846 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -15.896 0.771 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -14.863 -0.275 3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -18.434 -2.368 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -19.017 -2.339 2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -18.843 -0.818 2.010 1.00 0.00 H new