USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 THR OG1 : rot 180:sc= 0.6 USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.0352 USER MOD Set 1.3: A 68 LYS NZ :NH3+ -136:sc= 1.2 (180deg=0.0798) USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc= 0.814 USER MOD Set 2.2: A 49 SER OG : rot 89:sc= -0.0276 USER MOD Set 3.1: A 37 ASN : amide:sc= -0.0215 X(o=-0.022,f=-0.026) USER MOD Set 3.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 15 ASN : amide:sc= 1.2 K(o=2.8,f=0.61) USER MOD Set 4.2: A 17 THR OG1 : rot 158:sc= 1.63 USER MOD Single : A 8 THR OG1 : rot -31:sc= 0.297 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0992 K(o=-0.099,f=-3.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.17! C(o=-2.2!,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00215) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 29 ASN : amide:sc= 0.224 X(o=0.22,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.88) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.053) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 1.01 (180deg=0.852) USER MOD Single : A 57 MET CE :methyl -178:sc= -0.318 (180deg=-0.327) USER MOD Single : A 63 THR OG1 : rot 171:sc= 1.58 USER MOD Single : A 64 GLN : amide:sc=-0.00322 X(o=-0.0032,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.0988 K(o=0.099,f=-2.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -136:sc= 1.15 (180deg=-0.102) USER MOD Single : A 81 THR OG1 : rot 52:sc= 1.15 USER MOD Single : A 90 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.3!) USER MOD Single : A 94 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.3) USER MOD Single : A 99 GLN : amide:sc= 0.527 K(o=0.53,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 -0.154 17.796 0.024 1.00 12.11 N ATOM 83 CA THR A 8 -0.065 16.463 -0.569 1.00 50.14 C ATOM 84 C THR A 8 -0.026 15.364 0.498 1.00 31.52 C ATOM 85 O THR A 8 0.108 15.665 1.687 1.00 14.33 O ATOM 86 CB THR A 8 1.155 16.443 -1.489 1.00 1.35 C ATOM 87 OG1 THR A 8 2.297 16.912 -0.791 1.00 33.43 O ATOM 88 CG2 THR A 8 0.889 17.306 -2.721 1.00 3.33 C ATOM 0 HA THR A 8 -0.959 16.250 -1.155 1.00 50.14 H new ATOM 0 HB THR A 8 1.343 15.419 -1.813 1.00 1.35 H new ATOM 0 HG1 THR A 8 2.022 17.570 -0.119 1.00 33.43 H new ATOM 0 HG21 THR A 8 1.762 17.288 -3.373 1.00 3.33 H new ATOM 0 HG22 THR A 8 0.026 16.915 -3.260 1.00 3.33 H new ATOM 0 HG23 THR A 8 0.689 18.332 -2.411 1.00 3.33 H new ATOM 96 N THR A 9 -0.149 14.099 0.092 1.00 53.41 N ATOM 97 CA THR A 9 -0.206 12.952 0.992 1.00 72.43 C ATOM 98 C THR A 9 1.132 12.234 1.083 1.00 51.22 C ATOM 99 O THR A 9 2.056 12.521 0.315 1.00 4.13 O ATOM 100 CB THR A 9 -1.305 11.983 0.517 1.00 50.10 C ATOM 101 OG1 THR A 9 -1.385 11.913 -0.895 1.00 31.42 O ATOM 102 CG2 THR A 9 -2.635 12.445 1.078 1.00 54.33 C ATOM 0 H THR A 9 -0.213 13.841 -0.893 1.00 53.41 H new ATOM 0 HA THR A 9 -0.443 13.316 1.992 1.00 72.43 H new ATOM 0 HB THR A 9 -1.056 10.985 0.877 1.00 50.10 H new ATOM 0 HG1 THR A 9 -2.093 11.286 -1.152 1.00 31.42 H new ATOM 0 HG21 THR A 9 -3.423 11.768 0.750 1.00 54.33 H new ATOM 0 HG22 THR A 9 -2.589 12.448 2.167 1.00 54.33 H new ATOM 0 HG23 THR A 9 -2.850 13.452 0.721 1.00 54.33 H new ATOM 110 N THR A 10 1.220 11.252 1.981 1.00 62.14 N ATOM 111 CA THR A 10 2.357 10.351 2.046 1.00 31.15 C ATOM 112 C THR A 10 1.871 8.904 2.023 1.00 31.43 C ATOM 113 O THR A 10 0.805 8.602 2.569 1.00 51.45 O ATOM 114 CB THR A 10 3.197 10.658 3.299 1.00 51.10 C ATOM 115 OG1 THR A 10 3.272 12.054 3.541 1.00 61.23 O ATOM 116 CG2 THR A 10 4.623 10.117 3.162 1.00 64.51 C ATOM 0 H THR A 10 0.502 11.064 2.681 1.00 62.14 H new ATOM 0 HA THR A 10 2.998 10.499 1.177 1.00 31.15 H new ATOM 0 HB THR A 10 2.697 10.167 4.134 1.00 51.10 H new ATOM 0 HG1 THR A 10 3.810 12.218 4.343 1.00 61.23 H new ATOM 0 HG21 THR A 10 5.189 10.351 4.064 1.00 64.51 H new ATOM 0 HG22 THR A 10 4.590 9.036 3.024 1.00 64.51 H new ATOM 0 HG23 THR A 10 5.106 10.578 2.301 1.00 64.51 H new ATOM 124 N ILE A 11 2.643 8.003 1.419 1.00 43.33 N ATOM 125 CA ILE A 11 2.400 6.566 1.435 1.00 41.02 C ATOM 126 C ILE A 11 3.670 5.910 1.966 1.00 73.45 C ATOM 127 O ILE A 11 4.772 6.402 1.725 1.00 44.00 O ATOM 128 CB ILE A 11 2.021 6.068 0.018 1.00 12.43 C ATOM 129 CG1 ILE A 11 0.647 6.639 -0.376 1.00 61.42 C ATOM 130 CG2 ILE A 11 1.971 4.531 -0.063 1.00 63.15 C ATOM 131 CD1 ILE A 11 0.305 6.461 -1.854 1.00 53.04 C ATOM 0 H ILE A 11 3.477 8.261 0.891 1.00 43.33 H new ATOM 0 HA ILE A 11 1.559 6.305 2.078 1.00 41.02 H new ATOM 0 HB ILE A 11 2.793 6.415 -0.669 1.00 12.43 H new ATOM 0 HG12 ILE A 11 -0.123 6.156 0.226 1.00 61.42 H new ATOM 0 HG13 ILE A 11 0.622 7.701 -0.133 1.00 61.42 H new ATOM 0 HG21 ILE A 11 1.701 4.229 -1.075 1.00 63.15 H new ATOM 0 HG22 ILE A 11 2.949 4.121 0.190 1.00 63.15 H new ATOM 0 HG23 ILE A 11 1.227 4.154 0.639 1.00 63.15 H new ATOM 0 HD11 ILE A 11 -0.678 6.888 -2.054 1.00 53.04 H new ATOM 0 HD12 ILE A 11 1.052 6.968 -2.464 1.00 53.04 H new ATOM 0 HD13 ILE A 11 0.296 5.399 -2.100 1.00 53.04 H new ATOM 142 N ARG A 12 3.522 4.762 2.622 1.00 10.13 N ATOM 143 CA ARG A 12 4.598 3.823 2.876 1.00 42.01 C ATOM 144 C ARG A 12 4.074 2.441 2.564 1.00 25.50 C ATOM 145 O ARG A 12 2.959 2.098 2.963 1.00 2.23 O ATOM 146 CB ARG A 12 5.073 3.894 4.330 1.00 34.51 C ATOM 147 CG ARG A 12 6.370 3.091 4.545 1.00 24.44 C ATOM 148 CD ARG A 12 6.538 2.643 5.990 1.00 24.43 C ATOM 149 NE ARG A 12 6.633 3.763 6.933 1.00 24.12 N ATOM 150 CZ ARG A 12 6.869 3.656 8.244 1.00 73.11 C ATOM 151 NH1 ARG A 12 7.225 2.493 8.781 1.00 45.21 N ATOM 152 NH2 ARG A 12 6.707 4.719 9.019 1.00 14.04 N ATOM 0 H ARG A 12 2.625 4.456 2.999 1.00 10.13 H new ATOM 0 HA ARG A 12 5.456 4.067 2.250 1.00 42.01 H new ATOM 0 HB2 ARG A 12 5.239 4.935 4.608 1.00 34.51 H new ATOM 0 HB3 ARG A 12 4.293 3.509 4.987 1.00 34.51 H new ATOM 0 HG2 ARG A 12 6.366 2.217 3.894 1.00 24.44 H new ATOM 0 HG3 ARG A 12 7.225 3.701 4.254 1.00 24.44 H new ATOM 0 HD2 ARG A 12 5.694 2.012 6.269 1.00 24.43 H new ATOM 0 HD3 ARG A 12 7.435 2.030 6.072 1.00 24.43 H new ATOM 0 HE ARG A 12 6.508 4.703 6.556 1.00 24.12 H new ATOM 0 HH11 ARG A 12 7.321 1.667 8.191 1.00 45.21 H new ATOM 0 HH12 ARG A 12 7.402 2.427 9.783 1.00 45.21 H new ATOM 0 HH21 ARG A 12 6.406 5.605 8.613 1.00 14.04 H new ATOM 0 HH22 ARG A 12 6.884 4.651 10.021 1.00 14.04 H new ATOM 163 N LEU A 13 4.887 1.635 1.901 1.00 2.01 N ATOM 164 CA LEU A 13 4.650 0.202 1.790 1.00 34.53 C ATOM 165 C LEU A 13 5.566 -0.533 2.759 1.00 25.40 C ATOM 166 O LEU A 13 6.746 -0.202 2.842 1.00 5.23 O ATOM 167 CB LEU A 13 4.882 -0.251 0.338 1.00 14.00 C ATOM 168 CG LEU A 13 3.670 -0.197 -0.611 1.00 11.41 C ATOM 169 CD1 LEU A 13 2.824 -1.454 -0.427 1.00 43.32 C ATOM 170 CD2 LEU A 13 2.812 1.057 -0.442 1.00 74.53 C ATOM 0 H LEU A 13 5.730 1.954 1.424 1.00 2.01 H new ATOM 0 HA LEU A 13 3.618 -0.031 2.051 1.00 34.53 H new ATOM 0 HB2 LEU A 13 5.674 0.366 -0.087 1.00 14.00 H new ATOM 0 HB3 LEU A 13 5.252 -1.276 0.357 1.00 14.00 H new ATOM 0 HG LEU A 13 4.064 -0.151 -1.626 1.00 11.41 H new ATOM 0 HD11 LEU A 13 1.966 -1.417 -1.098 1.00 43.32 H new ATOM 0 HD12 LEU A 13 3.425 -2.334 -0.655 1.00 43.32 H new ATOM 0 HD13 LEU A 13 2.476 -1.510 0.604 1.00 43.32 H new ATOM 0 HD21 LEU A 13 1.978 1.025 -1.143 1.00 74.53 H new ATOM 0 HD22 LEU A 13 2.428 1.100 0.577 1.00 74.53 H new ATOM 0 HD23 LEU A 13 3.418 1.942 -0.639 1.00 74.53 H new ATOM 181 N ILE A 14 5.030 -1.533 3.469 1.00 2.10 N ATOM 182 CA ILE A 14 5.746 -2.399 4.397 1.00 73.55 C ATOM 183 C ILE A 14 5.452 -3.865 4.046 1.00 65.44 C ATOM 184 O ILE A 14 4.329 -4.351 4.209 1.00 45.03 O ATOM 185 CB ILE A 14 5.355 -2.102 5.865 1.00 23.33 C ATOM 186 CG1 ILE A 14 5.297 -0.614 6.269 1.00 30.53 C ATOM 187 CG2 ILE A 14 6.391 -2.787 6.765 1.00 11.23 C ATOM 188 CD1 ILE A 14 3.973 0.098 5.948 1.00 14.12 C ATOM 0 H ILE A 14 4.039 -1.766 3.405 1.00 2.10 H new ATOM 0 HA ILE A 14 6.815 -2.207 4.302 1.00 73.55 H new ATOM 0 HB ILE A 14 4.337 -2.475 5.979 1.00 23.33 H new ATOM 0 HG12 ILE A 14 5.482 -0.537 7.340 1.00 30.53 H new ATOM 0 HG13 ILE A 14 6.107 -0.085 5.766 1.00 30.53 H new ATOM 0 HG21 ILE A 14 6.146 -2.598 7.810 1.00 11.23 H new ATOM 0 HG22 ILE A 14 6.382 -3.861 6.578 1.00 11.23 H new ATOM 0 HG23 ILE A 14 7.382 -2.389 6.547 1.00 11.23 H new ATOM 0 HD11 ILE A 14 4.032 1.138 6.270 1.00 14.12 H new ATOM 0 HD12 ILE A 14 3.791 0.060 4.874 1.00 14.12 H new ATOM 0 HD13 ILE A 14 3.156 -0.398 6.472 1.00 14.12 H new ATOM 199 N ASN A 15 6.461 -4.591 3.561 1.00 50.35 N ATOM 200 CA ASN A 15 6.347 -6.005 3.225 1.00 61.34 C ATOM 201 C ASN A 15 6.469 -6.887 4.485 1.00 70.33 C ATOM 202 O ASN A 15 7.566 -7.384 4.742 1.00 30.33 O ATOM 203 CB ASN A 15 7.450 -6.341 2.193 1.00 30.14 C ATOM 204 CG ASN A 15 7.233 -7.672 1.497 1.00 62.45 C ATOM 205 OD1 ASN A 15 6.121 -8.182 1.418 1.00 23.10 O ATOM 206 ND2 ASN A 15 8.304 -8.261 1.007 1.00 12.00 N ATOM 0 H ASN A 15 7.390 -4.206 3.390 1.00 50.35 H new ATOM 0 HA ASN A 15 5.366 -6.209 2.796 1.00 61.34 H new ATOM 0 HB2 ASN A 15 7.491 -5.550 1.445 1.00 30.14 H new ATOM 0 HB3 ASN A 15 8.417 -6.355 2.696 1.00 30.14 H new ATOM 0 HD21 ASN A 15 8.222 -9.167 0.546 1.00 12.00 H new ATOM 0 HD22 ASN A 15 9.216 -7.811 1.088 1.00 12.00 H new ATOM 212 N GLN A 16 5.433 -7.080 5.311 1.00 72.22 N ATOM 213 CA GLN A 16 5.519 -7.809 6.598 1.00 12.23 C ATOM 214 C GLN A 16 5.130 -9.291 6.417 1.00 45.41 C ATOM 215 O GLN A 16 4.342 -9.848 7.176 1.00 41.24 O ATOM 216 CB GLN A 16 4.703 -7.107 7.712 1.00 23.20 C ATOM 217 CG GLN A 16 4.974 -5.597 7.795 1.00 64.21 C ATOM 218 CD GLN A 16 4.332 -4.853 8.967 1.00 71.45 C ATOM 219 OE1 GLN A 16 4.986 -4.125 9.708 1.00 10.34 O ATOM 220 NE2 GLN A 16 3.028 -4.876 9.122 1.00 45.03 N ATOM 0 H GLN A 16 4.496 -6.732 5.108 1.00 72.22 H new ATOM 0 HA GLN A 16 6.557 -7.790 6.929 1.00 12.23 H new ATOM 0 HB2 GLN A 16 3.640 -7.270 7.534 1.00 23.20 H new ATOM 0 HB3 GLN A 16 4.939 -7.566 8.672 1.00 23.20 H new ATOM 0 HG2 GLN A 16 6.052 -5.446 7.844 1.00 64.21 H new ATOM 0 HG3 GLN A 16 4.630 -5.137 6.869 1.00 64.21 H new ATOM 0 HE21 GLN A 16 2.454 -5.470 8.523 1.00 45.03 H new ATOM 0 HE22 GLN A 16 2.590 -4.300 9.841 1.00 45.03 H new ATOM 227 N THR A 17 5.674 -9.946 5.394 1.00 64.43 N ATOM 228 CA THR A 17 5.419 -11.343 5.029 1.00 42.43 C ATOM 229 C THR A 17 6.685 -12.181 5.204 1.00 41.32 C ATOM 230 O THR A 17 7.630 -11.763 5.876 1.00 63.25 O ATOM 231 CB THR A 17 4.885 -11.396 3.591 1.00 42.34 C ATOM 232 OG1 THR A 17 5.748 -10.666 2.741 1.00 52.45 O ATOM 233 CG2 THR A 17 3.449 -10.886 3.531 1.00 24.40 C ATOM 0 H THR A 17 6.338 -9.497 4.764 1.00 64.43 H new ATOM 0 HA THR A 17 4.665 -11.769 5.690 1.00 42.43 H new ATOM 0 HB THR A 17 4.866 -12.429 3.245 1.00 42.34 H new ATOM 0 HG1 THR A 17 5.637 -10.976 1.818 1.00 52.45 H new ATOM 0 HG21 THR A 17 3.089 -10.932 2.503 1.00 24.40 H new ATOM 0 HG22 THR A 17 2.816 -11.506 4.165 1.00 24.40 H new ATOM 0 HG23 THR A 17 3.414 -9.855 3.882 1.00 24.40 H new ATOM 241 N TYR A 18 6.710 -13.380 4.619 1.00 65.54 N ATOM 242 CA TYR A 18 7.899 -14.226 4.503 1.00 11.10 C ATOM 243 C TYR A 18 8.630 -14.141 3.151 1.00 23.50 C ATOM 244 O TYR A 18 9.638 -14.830 2.989 1.00 50.12 O ATOM 245 CB TYR A 18 7.549 -15.676 4.857 1.00 11.43 C ATOM 246 CG TYR A 18 6.970 -16.583 3.778 1.00 10.04 C ATOM 247 CD1 TYR A 18 5.927 -16.169 2.926 1.00 51.32 C ATOM 248 CD2 TYR A 18 7.457 -17.898 3.678 1.00 25.40 C ATOM 249 CE1 TYR A 18 5.316 -17.093 2.054 1.00 2.14 C ATOM 250 CE2 TYR A 18 6.886 -18.812 2.781 1.00 50.02 C ATOM 251 CZ TYR A 18 5.800 -18.419 1.975 1.00 30.24 C ATOM 252 OH TYR A 18 5.264 -19.323 1.110 1.00 22.32 O ATOM 0 H TYR A 18 5.880 -13.801 4.201 1.00 65.54 H new ATOM 0 HA TYR A 18 8.615 -13.830 5.223 1.00 11.10 H new ATOM 0 HB2 TYR A 18 8.455 -16.150 5.233 1.00 11.43 H new ATOM 0 HB3 TYR A 18 6.837 -15.650 5.682 1.00 11.43 H new ATOM 0 HD1 TYR A 18 5.595 -15.141 2.941 1.00 51.32 H new ATOM 0 HD2 TYR A 18 8.283 -18.209 4.301 1.00 25.40 H new ATOM 0 HE1 TYR A 18 4.477 -16.788 1.446 1.00 2.14 H new ATOM 0 HE2 TYR A 18 7.278 -19.816 2.708 1.00 50.02 H new ATOM 0 HH TYR A 18 5.731 -20.180 1.201 1.00 22.32 H new ATOM 261 N PHE A 19 8.173 -13.336 2.181 1.00 25.50 N ATOM 262 CA PHE A 19 8.697 -13.368 0.810 1.00 33.23 C ATOM 263 C PHE A 19 9.252 -12.002 0.374 1.00 54.05 C ATOM 264 O PHE A 19 9.029 -10.986 1.027 1.00 23.10 O ATOM 265 CB PHE A 19 7.613 -13.865 -0.160 1.00 61.15 C ATOM 266 CG PHE A 19 6.303 -13.112 -0.080 1.00 12.13 C ATOM 267 CD1 PHE A 19 6.230 -11.746 -0.402 1.00 44.11 C ATOM 268 CD2 PHE A 19 5.161 -13.769 0.397 1.00 4.30 C ATOM 269 CE1 PHE A 19 5.039 -11.036 -0.207 1.00 70.14 C ATOM 270 CE2 PHE A 19 3.979 -13.053 0.615 1.00 1.14 C ATOM 271 CZ PHE A 19 3.912 -11.688 0.305 1.00 54.44 C ATOM 0 H PHE A 19 7.434 -12.648 2.325 1.00 25.50 H new ATOM 0 HA PHE A 19 9.533 -14.067 0.787 1.00 33.23 H new ATOM 0 HB2 PHE A 19 7.996 -13.795 -1.178 1.00 61.15 H new ATOM 0 HB3 PHE A 19 7.423 -14.920 0.038 1.00 61.15 H new ATOM 0 HD1 PHE A 19 7.097 -11.241 -0.802 1.00 44.11 H new ATOM 0 HD2 PHE A 19 5.193 -14.830 0.597 1.00 4.30 H new ATOM 0 HE1 PHE A 19 4.990 -9.985 -0.452 1.00 70.14 H new ATOM 0 HE2 PHE A 19 3.114 -13.554 1.024 1.00 1.14 H new ATOM 0 HZ PHE A 19 2.994 -11.141 0.461 1.00 54.44 H new ATOM 280 N ASN A 20 9.899 -11.945 -0.794 1.00 71.22 N ATOM 281 CA ASN A 20 10.276 -10.712 -1.503 1.00 43.15 C ATOM 282 C ASN A 20 9.178 -10.327 -2.509 1.00 71.43 C ATOM 283 O ASN A 20 8.500 -11.224 -3.024 1.00 1.21 O ATOM 284 CB ASN A 20 11.600 -10.977 -2.241 1.00 44.45 C ATOM 285 CG ASN A 20 11.980 -9.845 -3.185 1.00 54.03 C ATOM 286 OD1 ASN A 20 12.023 -8.700 -2.771 1.00 30.12 O ATOM 287 ND2 ASN A 20 12.245 -10.128 -4.452 1.00 65.54 N ATOM 0 H ASN A 20 10.187 -12.787 -1.293 1.00 71.22 H new ATOM 0 HA ASN A 20 10.395 -9.890 -0.798 1.00 43.15 H new ATOM 0 HB2 ASN A 20 12.397 -11.119 -1.511 1.00 44.45 H new ATOM 0 HB3 ASN A 20 11.517 -11.905 -2.807 1.00 44.45 H new ATOM 0 HD21 ASN A 20 12.491 -9.380 -5.101 1.00 65.54 H new ATOM 0 HD22 ASN A 20 12.203 -11.093 -4.778 1.00 65.54 H new ATOM 293 N VAL A 21 9.017 -9.041 -2.844 1.00 52.31 N ATOM 294 CA VAL A 21 8.140 -8.571 -3.930 1.00 2.14 C ATOM 295 C VAL A 21 8.881 -7.560 -4.809 1.00 71.23 C ATOM 296 O VAL A 21 9.713 -6.807 -4.326 1.00 71.51 O ATOM 297 CB VAL A 21 6.832 -7.960 -3.387 1.00 65.43 C ATOM 298 CG1 VAL A 21 5.917 -9.021 -2.799 1.00 22.34 C ATOM 299 CG2 VAL A 21 7.051 -6.900 -2.302 1.00 25.43 C ATOM 0 H VAL A 21 9.500 -8.283 -2.361 1.00 52.31 H new ATOM 0 HA VAL A 21 7.868 -9.436 -4.535 1.00 2.14 H new ATOM 0 HB VAL A 21 6.376 -7.488 -4.258 1.00 65.43 H new ATOM 0 HG11 VAL A 21 5.007 -8.551 -2.427 1.00 22.34 H new ATOM 0 HG12 VAL A 21 5.661 -9.748 -3.569 1.00 22.34 H new ATOM 0 HG13 VAL A 21 6.426 -9.526 -1.978 1.00 22.34 H new ATOM 0 HG21 VAL A 21 6.087 -6.516 -1.969 1.00 25.43 H new ATOM 0 HG22 VAL A 21 7.575 -7.347 -1.457 1.00 25.43 H new ATOM 0 HG23 VAL A 21 7.647 -6.082 -2.707 1.00 25.43 H new ATOM 309 N LYS A 22 8.550 -7.506 -6.104 1.00 10.10 N ATOM 310 CA LYS A 22 9.352 -6.844 -7.146 1.00 12.02 C ATOM 311 C LYS A 22 8.509 -6.080 -8.164 1.00 14.14 C ATOM 312 O LYS A 22 8.937 -5.852 -9.292 1.00 64.50 O ATOM 313 CB LYS A 22 10.272 -7.881 -7.822 1.00 13.45 C ATOM 314 CG LYS A 22 9.517 -9.051 -8.481 1.00 25.43 C ATOM 315 CD LYS A 22 9.357 -10.260 -7.548 1.00 51.25 C ATOM 316 CE LYS A 22 8.362 -11.264 -8.134 1.00 73.44 C ATOM 317 NZ LYS A 22 8.915 -12.029 -9.271 1.00 25.51 N ATOM 0 H LYS A 22 7.697 -7.931 -6.468 1.00 10.10 H new ATOM 0 HA LYS A 22 9.964 -6.084 -6.660 1.00 12.02 H new ATOM 0 HB2 LYS A 22 10.875 -7.379 -8.579 1.00 13.45 H new ATOM 0 HB3 LYS A 22 10.962 -8.280 -7.078 1.00 13.45 H new ATOM 0 HG2 LYS A 22 8.531 -8.709 -8.797 1.00 25.43 H new ATOM 0 HG3 LYS A 22 10.050 -9.360 -9.380 1.00 25.43 H new ATOM 0 HD2 LYS A 22 10.323 -10.742 -7.399 1.00 51.25 H new ATOM 0 HD3 LYS A 22 9.013 -9.928 -6.569 1.00 51.25 H new ATOM 0 HE2 LYS A 22 8.052 -11.958 -7.353 1.00 73.44 H new ATOM 0 HE3 LYS A 22 7.468 -10.733 -8.461 1.00 73.44 H new ATOM 0 HZ1 LYS A 22 8.196 -12.692 -9.626 1.00 25.51 H new ATOM 0 HZ2 LYS A 22 9.186 -11.373 -10.031 1.00 25.51 H new ATOM 0 HZ3 LYS A 22 9.752 -12.561 -8.957 1.00 25.51 H new ATOM 327 N ASN A 23 7.256 -5.776 -7.818 1.00 44.22 N ATOM 328 CA ASN A 23 6.266 -5.367 -8.810 1.00 70.12 C ATOM 329 C ASN A 23 4.967 -4.913 -8.148 1.00 31.51 C ATOM 330 O ASN A 23 3.887 -5.425 -8.459 1.00 51.45 O ATOM 331 CB ASN A 23 5.994 -6.543 -9.802 1.00 45.25 C ATOM 332 CG ASN A 23 5.757 -7.902 -9.127 1.00 23.53 C ATOM 333 OD1 ASN A 23 6.250 -8.946 -9.530 1.00 65.14 O ATOM 334 ND2 ASN A 23 5.064 -7.930 -8.004 1.00 11.13 N ATOM 0 H ASN A 23 6.906 -5.806 -6.860 1.00 44.22 H new ATOM 0 HA ASN A 23 6.667 -4.517 -9.362 1.00 70.12 H new ATOM 0 HB2 ASN A 23 5.123 -6.296 -10.409 1.00 45.25 H new ATOM 0 HB3 ASN A 23 6.841 -6.632 -10.482 1.00 45.25 H new ATOM 0 HD21 ASN A 23 4.951 -8.807 -7.496 1.00 11.13 H new ATOM 0 HD22 ASN A 23 4.641 -7.074 -7.644 1.00 11.13 H new ATOM 340 N ILE A 24 5.043 -4.039 -7.154 1.00 11.04 N ATOM 341 CA ILE A 24 3.866 -3.620 -6.402 1.00 2.13 C ATOM 342 C ILE A 24 3.328 -2.366 -7.086 1.00 54.32 C ATOM 343 O ILE A 24 4.024 -1.354 -7.139 1.00 52.23 O ATOM 344 CB ILE A 24 4.188 -3.413 -4.903 1.00 42.03 C ATOM 345 CG1 ILE A 24 5.109 -4.523 -4.341 1.00 10.12 C ATOM 346 CG2 ILE A 24 2.873 -3.404 -4.112 1.00 24.41 C ATOM 347 CD1 ILE A 24 6.605 -4.190 -4.467 1.00 53.34 C ATOM 0 H ILE A 24 5.913 -3.603 -6.847 1.00 11.04 H new ATOM 0 HA ILE A 24 3.098 -4.394 -6.408 1.00 2.13 H new ATOM 0 HB ILE A 24 4.716 -2.465 -4.802 1.00 42.03 H new ATOM 0 HG12 ILE A 24 4.868 -4.690 -3.291 1.00 10.12 H new ATOM 0 HG13 ILE A 24 4.905 -5.456 -4.867 1.00 10.12 H new ATOM 0 HG21 ILE A 24 3.086 -3.259 -3.053 1.00 24.41 H new ATOM 0 HG22 ILE A 24 2.239 -2.592 -4.469 1.00 24.41 H new ATOM 0 HG23 ILE A 24 2.358 -4.355 -4.251 1.00 24.41 H new ATOM 0 HD11 ILE A 24 7.196 -5.008 -4.055 1.00 53.34 H new ATOM 0 HD12 ILE A 24 6.860 -4.052 -5.518 1.00 53.34 H new ATOM 0 HD13 ILE A 24 6.821 -3.274 -3.918 1.00 53.34 H new ATOM 358 N LYS A 25 2.134 -2.455 -7.668 1.00 14.42 N ATOM 359 CA LYS A 25 1.343 -1.313 -8.118 1.00 41.34 C ATOM 360 C LYS A 25 0.721 -0.670 -6.883 1.00 70.53 C ATOM 361 O LYS A 25 0.263 -1.401 -6.004 1.00 33.50 O ATOM 362 CB LYS A 25 0.240 -1.819 -9.070 1.00 51.41 C ATOM 363 CG LYS A 25 0.437 -1.378 -10.524 1.00 1.23 C ATOM 364 CD LYS A 25 0.053 0.086 -10.773 1.00 50.11 C ATOM 365 CE LYS A 25 -1.449 0.348 -10.616 1.00 41.11 C ATOM 366 NZ LYS A 25 -2.243 -0.238 -11.718 1.00 71.13 N ATOM 0 H LYS A 25 1.677 -3.350 -7.844 1.00 14.42 H new ATOM 0 HA LYS A 25 1.958 -0.585 -8.648 1.00 41.34 H new ATOM 0 HB2 LYS A 25 0.208 -2.908 -9.030 1.00 51.41 H new ATOM 0 HB3 LYS A 25 -0.726 -1.459 -8.717 1.00 51.41 H new ATOM 0 HG2 LYS A 25 1.481 -1.525 -10.802 1.00 1.23 H new ATOM 0 HG3 LYS A 25 -0.159 -2.018 -11.174 1.00 1.23 H new ATOM 0 HD2 LYS A 25 0.601 0.723 -10.079 1.00 50.11 H new ATOM 0 HD3 LYS A 25 0.362 0.371 -11.779 1.00 50.11 H new ATOM 0 HE2 LYS A 25 -1.790 -0.066 -9.667 1.00 41.11 H new ATOM 0 HE3 LYS A 25 -1.625 1.423 -10.577 1.00 41.11 H new ATOM 0 HZ1 LYS A 25 -3.250 -0.019 -11.575 1.00 71.13 H new ATOM 0 HZ2 LYS A 25 -1.927 0.162 -12.624 1.00 71.13 H new ATOM 0 HZ3 LYS A 25 -2.111 -1.270 -11.730 1.00 71.13 H new ATOM 376 N VAL A 26 0.690 0.660 -6.820 1.00 52.23 N ATOM 377 CA VAL A 26 0.191 1.414 -5.682 1.00 70.32 C ATOM 378 C VAL A 26 -0.725 2.486 -6.249 1.00 24.53 C ATOM 379 O VAL A 26 -0.212 3.388 -6.898 1.00 1.04 O ATOM 380 CB VAL A 26 1.394 2.048 -4.941 1.00 5.02 C ATOM 381 CG1 VAL A 26 0.988 2.818 -3.690 1.00 21.12 C ATOM 382 CG2 VAL A 26 2.470 1.014 -4.600 1.00 70.32 C ATOM 0 H VAL A 26 1.021 1.254 -7.581 1.00 52.23 H new ATOM 0 HA VAL A 26 -0.351 0.789 -4.972 1.00 70.32 H new ATOM 0 HB VAL A 26 1.816 2.767 -5.642 1.00 5.02 H new ATOM 0 HG11 VAL A 26 1.876 3.238 -3.217 1.00 21.12 H new ATOM 0 HG12 VAL A 26 0.307 3.624 -3.964 1.00 21.12 H new ATOM 0 HG13 VAL A 26 0.490 2.144 -2.993 1.00 21.12 H new ATOM 0 HG21 VAL A 26 3.294 1.504 -4.081 1.00 70.32 H new ATOM 0 HG22 VAL A 26 2.044 0.244 -3.958 1.00 70.32 H new ATOM 0 HG23 VAL A 26 2.840 0.557 -5.518 1.00 70.32 H new ATOM 392 N THR A 27 -2.034 2.409 -6.026 1.00 33.51 N ATOM 393 CA THR A 27 -3.040 3.307 -6.594 1.00 51.44 C ATOM 394 C THR A 27 -3.808 3.946 -5.424 1.00 45.35 C ATOM 395 O THR A 27 -4.174 3.237 -4.485 1.00 63.54 O ATOM 396 CB THR A 27 -3.927 2.475 -7.543 1.00 61.13 C ATOM 397 OG1 THR A 27 -3.134 1.644 -8.374 1.00 50.32 O ATOM 398 CG2 THR A 27 -4.797 3.358 -8.439 1.00 70.13 C ATOM 0 H THR A 27 -2.440 1.694 -5.423 1.00 33.51 H new ATOM 0 HA THR A 27 -2.614 4.120 -7.182 1.00 51.44 H new ATOM 0 HB THR A 27 -4.573 1.869 -6.907 1.00 61.13 H new ATOM 0 HG1 THR A 27 -3.716 1.124 -8.967 1.00 50.32 H new ATOM 0 HG21 THR A 27 -5.404 2.729 -9.090 1.00 70.13 H new ATOM 0 HG22 THR A 27 -5.448 3.975 -7.820 1.00 70.13 H new ATOM 0 HG23 THR A 27 -4.159 4.000 -9.047 1.00 70.13 H new ATOM 406 N TRP A 28 -3.986 5.272 -5.377 1.00 33.10 N ATOM 407 CA TRP A 28 -4.542 6.000 -4.208 1.00 10.31 C ATOM 408 C TRP A 28 -5.675 6.959 -4.595 1.00 44.03 C ATOM 409 O TRP A 28 -6.007 7.935 -3.915 1.00 12.32 O ATOM 410 CB TRP A 28 -3.423 6.722 -3.454 1.00 10.32 C ATOM 411 CG TRP A 28 -2.624 7.730 -4.220 1.00 73.54 C ATOM 412 CD1 TRP A 28 -2.866 9.058 -4.308 1.00 2.41 C ATOM 413 CD2 TRP A 28 -1.396 7.504 -4.957 1.00 31.55 C ATOM 414 NE1 TRP A 28 -1.848 9.673 -5.009 1.00 24.12 N ATOM 415 CE2 TRP A 28 -0.890 8.759 -5.403 1.00 64.34 C ATOM 416 CE3 TRP A 28 -0.647 6.351 -5.251 1.00 34.42 C ATOM 417 CZ2 TRP A 28 0.341 8.867 -6.067 1.00 51.11 C ATOM 418 CZ3 TRP A 28 0.571 6.447 -5.937 1.00 70.32 C ATOM 419 CH2 TRP A 28 1.072 7.696 -6.336 1.00 10.25 C ATOM 0 H TRP A 28 -3.748 5.886 -6.156 1.00 33.10 H new ATOM 0 HA TRP A 28 -4.989 5.261 -3.542 1.00 10.31 H new ATOM 0 HB2 TRP A 28 -3.865 7.224 -2.593 1.00 10.32 H new ATOM 0 HB3 TRP A 28 -2.736 5.970 -3.067 1.00 10.32 H new ATOM 0 HD1 TRP A 28 -3.726 9.561 -3.892 1.00 2.41 H new ATOM 0 HE1 TRP A 28 -1.808 10.672 -5.210 1.00 24.12 H new ATOM 0 HE3 TRP A 28 -1.014 5.382 -4.945 1.00 34.42 H new ATOM 0 HZ2 TRP A 28 0.721 9.833 -6.366 1.00 51.11 H new ATOM 0 HZ3 TRP A 28 1.130 5.551 -6.161 1.00 70.32 H new ATOM 0 HH2 TRP A 28 2.020 7.758 -6.850 1.00 10.25 H new ATOM 429 N ASN A 29 -6.255 6.712 -5.756 1.00 1.33 N ATOM 430 CA ASN A 29 -7.337 7.475 -6.342 1.00 44.12 C ATOM 431 C ASN A 29 -7.975 6.654 -7.448 1.00 12.04 C ATOM 432 O ASN A 29 -7.520 5.549 -7.739 1.00 45.34 O ATOM 433 CB ASN A 29 -6.812 8.818 -6.888 1.00 23.42 C ATOM 434 CG ASN A 29 -7.693 9.925 -6.359 1.00 14.33 C ATOM 435 OD1 ASN A 29 -8.586 10.402 -7.043 1.00 64.25 O ATOM 436 ND2 ASN A 29 -7.548 10.241 -5.086 1.00 74.31 N ATOM 0 H ASN A 29 -5.966 5.931 -6.345 1.00 1.33 H new ATOM 0 HA ASN A 29 -8.086 7.696 -5.581 1.00 44.12 H new ATOM 0 HB2 ASN A 29 -5.779 8.975 -6.579 1.00 23.42 H new ATOM 0 HB3 ASN A 29 -6.821 8.814 -7.978 1.00 23.42 H new ATOM 0 HD21 ASN A 29 -8.191 10.900 -4.648 1.00 74.31 H new ATOM 0 HD22 ASN A 29 -6.793 9.826 -4.540 1.00 74.31 H new ATOM 442 N ASP A 30 -9.004 7.202 -8.083 1.00 65.33 N ATOM 443 CA ASP A 30 -9.421 6.765 -9.410 1.00 53.01 C ATOM 444 C ASP A 30 -8.326 7.270 -10.348 1.00 63.51 C ATOM 445 O ASP A 30 -8.269 8.459 -10.680 1.00 43.23 O ATOM 446 CB ASP A 30 -10.807 7.313 -9.812 1.00 41.25 C ATOM 447 CG ASP A 30 -11.957 6.306 -9.693 1.00 65.45 C ATOM 448 OD1 ASP A 30 -11.718 5.089 -9.528 1.00 73.21 O ATOM 449 OD2 ASP A 30 -13.134 6.740 -9.671 1.00 61.43 O ATOM 0 H ASP A 30 -9.570 7.957 -7.696 1.00 65.33 H new ATOM 0 HA ASP A 30 -9.536 5.682 -9.449 1.00 53.01 H new ATOM 0 HB2 ASP A 30 -11.035 8.178 -9.189 1.00 41.25 H new ATOM 0 HB3 ASP A 30 -10.757 7.666 -10.842 1.00 41.25 H new ATOM 453 N GLY A 31 -7.400 6.380 -10.677 1.00 45.21 N ATOM 454 CA GLY A 31 -6.436 6.487 -11.756 1.00 74.10 C ATOM 455 C GLY A 31 -5.011 6.483 -11.227 1.00 53.22 C ATOM 456 O GLY A 31 -4.188 5.684 -11.674 1.00 52.43 O ATOM 0 H GLY A 31 -7.298 5.506 -10.160 1.00 45.21 H new ATOM 0 HA2 GLY A 31 -6.571 5.657 -12.450 1.00 74.10 H new ATOM 0 HA3 GLY A 31 -6.615 7.404 -12.317 1.00 74.10 H new ATOM 460 N LYS A 32 -4.714 7.409 -10.310 1.00 65.33 N ATOM 461 CA LYS A 32 -3.371 7.785 -9.940 1.00 24.52 C ATOM 462 C LYS A 32 -2.676 6.645 -9.215 1.00 3.12 C ATOM 463 O LYS A 32 -3.142 6.213 -8.157 1.00 42.04 O ATOM 464 CB LYS A 32 -3.462 9.042 -9.069 1.00 70.21 C ATOM 465 CG LYS A 32 -2.089 9.543 -8.615 1.00 73.21 C ATOM 466 CD LYS A 32 -1.142 10.041 -9.725 1.00 41.02 C ATOM 467 CE LYS A 32 0.315 9.855 -9.290 1.00 65.50 C ATOM 468 NZ LYS A 32 1.275 10.243 -10.339 1.00 3.04 N ATOM 0 H LYS A 32 -5.430 7.924 -9.798 1.00 65.33 H new ATOM 0 HA LYS A 32 -2.773 7.999 -10.826 1.00 24.52 H new ATOM 0 HB2 LYS A 32 -3.966 9.831 -9.627 1.00 70.21 H new ATOM 0 HB3 LYS A 32 -4.075 8.829 -8.193 1.00 70.21 H new ATOM 0 HG2 LYS A 32 -2.239 10.355 -7.904 1.00 73.21 H new ATOM 0 HG3 LYS A 32 -1.591 8.736 -8.077 1.00 73.21 H new ATOM 0 HD2 LYS A 32 -1.328 9.491 -10.648 1.00 41.02 H new ATOM 0 HD3 LYS A 32 -1.336 11.093 -9.936 1.00 41.02 H new ATOM 0 HE2 LYS A 32 0.501 10.448 -8.395 1.00 65.50 H new ATOM 0 HE3 LYS A 32 0.479 8.812 -9.021 1.00 65.50 H new ATOM 0 HZ1 LYS A 32 2.245 10.098 -9.993 1.00 3.04 H new ATOM 0 HZ2 LYS A 32 1.118 9.660 -11.186 1.00 3.04 H new ATOM 0 HZ3 LYS A 32 1.140 11.246 -10.579 1.00 3.04 H new ATOM 478 N GLU A 33 -1.535 6.236 -9.760 1.00 23.34 N ATOM 479 CA GLU A 33 -0.698 5.167 -9.249 1.00 12.11 C ATOM 480 C GLU A 33 0.775 5.556 -9.294 1.00 4.41 C ATOM 481 O GLU A 33 1.128 6.657 -9.731 1.00 44.41 O ATOM 482 CB GLU A 33 -1.012 3.857 -10.006 1.00 10.12 C ATOM 483 CG GLU A 33 -0.919 3.887 -11.544 1.00 41.21 C ATOM 484 CD GLU A 33 0.490 3.749 -12.119 1.00 10.21 C ATOM 485 OE1 GLU A 33 1.197 4.774 -12.254 1.00 64.42 O ATOM 486 OE2 GLU A 33 0.857 2.643 -12.576 1.00 1.42 O ATOM 0 H GLU A 33 -1.156 6.662 -10.606 1.00 23.34 H new ATOM 0 HA GLU A 33 -0.923 4.993 -8.197 1.00 12.11 H new ATOM 0 HB2 GLU A 33 -0.332 3.087 -9.642 1.00 10.12 H new ATOM 0 HB3 GLU A 33 -2.021 3.545 -9.736 1.00 10.12 H new ATOM 0 HG2 GLU A 33 -1.537 3.083 -11.944 1.00 41.21 H new ATOM 0 HG3 GLU A 33 -1.347 4.824 -11.899 1.00 41.21 H new ATOM 491 N GLN A 34 1.617 4.641 -8.822 1.00 25.21 N ATOM 492 CA GLN A 34 3.039 4.499 -9.106 1.00 62.11 C ATOM 493 C GLN A 34 3.403 3.020 -8.867 1.00 45.20 C ATOM 494 O GLN A 34 2.508 2.211 -8.585 1.00 11.41 O ATOM 495 CB GLN A 34 3.846 5.505 -8.263 1.00 5.11 C ATOM 496 CG GLN A 34 3.965 5.167 -6.763 1.00 41.02 C ATOM 497 CD GLN A 34 5.144 4.264 -6.423 1.00 72.32 C ATOM 498 OE1 GLN A 34 5.023 3.312 -5.661 1.00 31.41 O ATOM 499 NE2 GLN A 34 6.312 4.518 -6.977 1.00 44.44 N ATOM 0 H GLN A 34 1.293 3.920 -8.177 1.00 25.21 H new ATOM 0 HA GLN A 34 3.288 4.740 -10.140 1.00 62.11 H new ATOM 0 HB2 GLN A 34 4.850 5.581 -8.682 1.00 5.11 H new ATOM 0 HB3 GLN A 34 3.385 6.488 -8.361 1.00 5.11 H new ATOM 0 HG2 GLN A 34 4.056 6.095 -6.198 1.00 41.02 H new ATOM 0 HG3 GLN A 34 3.044 4.684 -6.436 1.00 41.02 H new ATOM 0 HE21 GLN A 34 6.414 5.310 -7.611 1.00 44.44 H new ATOM 0 HE22 GLN A 34 7.114 3.923 -6.771 1.00 44.44 H new ATOM 506 N THR A 35 4.685 2.641 -8.961 1.00 71.12 N ATOM 507 CA THR A 35 5.113 1.273 -8.678 1.00 3.05 C ATOM 508 C THR A 35 6.342 1.246 -7.765 1.00 73.23 C ATOM 509 O THR A 35 7.261 2.049 -7.945 1.00 22.11 O ATOM 510 CB THR A 35 5.366 0.518 -9.990 1.00 2.13 C ATOM 511 OG1 THR A 35 6.480 1.026 -10.688 1.00 34.44 O ATOM 512 CG2 THR A 35 4.171 0.577 -10.934 1.00 14.31 C ATOM 0 H THR A 35 5.442 3.268 -9.232 1.00 71.12 H new ATOM 0 HA THR A 35 4.312 0.766 -8.141 1.00 3.05 H new ATOM 0 HB THR A 35 5.549 -0.513 -9.689 1.00 2.13 H new ATOM 0 HG1 THR A 35 6.607 0.517 -11.516 1.00 34.44 H new ATOM 0 HG21 THR A 35 4.401 0.028 -11.847 1.00 14.31 H new ATOM 0 HG22 THR A 35 3.303 0.129 -10.450 1.00 14.31 H new ATOM 0 HG23 THR A 35 3.953 1.616 -11.181 1.00 14.31 H new ATOM 520 N VAL A 36 6.397 0.304 -6.823 1.00 62.30 N ATOM 521 CA VAL A 36 7.597 0.078 -6.027 1.00 63.40 C ATOM 522 C VAL A 36 8.438 -0.889 -6.857 1.00 72.23 C ATOM 523 O VAL A 36 7.884 -1.846 -7.425 1.00 54.00 O ATOM 524 CB VAL A 36 7.220 -0.475 -4.635 1.00 74.43 C ATOM 525 CG1 VAL A 36 8.430 -0.962 -3.827 1.00 54.42 C ATOM 526 CG2 VAL A 36 6.465 0.556 -3.775 1.00 11.05 C ATOM 0 H VAL A 36 5.620 -0.315 -6.594 1.00 62.30 H new ATOM 0 HA VAL A 36 8.160 0.989 -5.822 1.00 63.40 H new ATOM 0 HB VAL A 36 6.572 -1.323 -4.855 1.00 74.43 H new ATOM 0 HG11 VAL A 36 8.095 -1.337 -2.860 1.00 54.42 H new ATOM 0 HG12 VAL A 36 8.934 -1.761 -4.372 1.00 54.42 H new ATOM 0 HG13 VAL A 36 9.123 -0.134 -3.674 1.00 54.42 H new ATOM 0 HG21 VAL A 36 6.224 0.116 -2.807 1.00 11.05 H new ATOM 0 HG22 VAL A 36 7.092 1.436 -3.628 1.00 11.05 H new ATOM 0 HG23 VAL A 36 5.544 0.847 -4.281 1.00 11.05 H new ATOM 536 N ASN A 37 9.751 -0.644 -6.921 1.00 32.22 N ATOM 537 CA ASN A 37 10.697 -1.516 -7.598 1.00 23.14 C ATOM 538 C ASN A 37 10.698 -2.867 -6.904 1.00 42.24 C ATOM 539 O ASN A 37 10.050 -3.784 -7.388 1.00 53.04 O ATOM 540 CB ASN A 37 12.111 -0.924 -7.689 1.00 25.12 C ATOM 541 CG ASN A 37 13.074 -1.983 -8.221 1.00 71.23 C ATOM 542 OD1 ASN A 37 12.833 -2.558 -9.277 1.00 50.03 O ATOM 543 ND2 ASN A 37 14.108 -2.335 -7.474 1.00 11.22 N ATOM 0 H ASN A 37 10.184 0.176 -6.497 1.00 32.22 H new ATOM 0 HA ASN A 37 10.373 -1.631 -8.632 1.00 23.14 H new ATOM 0 HB2 ASN A 37 12.111 -0.054 -8.346 1.00 25.12 H new ATOM 0 HB3 ASN A 37 12.437 -0.581 -6.707 1.00 25.12 H new ATOM 0 HD21 ASN A 37 14.719 -3.095 -7.774 1.00 11.22 H new ATOM 0 HD22 ASN A 37 14.294 -1.846 -6.598 1.00 11.22 H new ATOM 549 N THR A 38 11.405 -3.004 -5.785 1.00 14.11 N ATOM 550 CA THR A 38 11.526 -4.264 -5.078 1.00 1.42 C ATOM 551 C THR A 38 11.523 -3.954 -3.590 1.00 61.10 C ATOM 552 O THR A 38 12.355 -3.170 -3.132 1.00 45.30 O ATOM 553 CB THR A 38 12.792 -5.018 -5.528 1.00 44.11 C ATOM 554 OG1 THR A 38 12.905 -5.065 -6.942 1.00 65.34 O ATOM 555 CG2 THR A 38 12.844 -6.447 -4.990 1.00 34.52 C ATOM 0 H THR A 38 11.911 -2.235 -5.345 1.00 14.11 H new ATOM 0 HA THR A 38 10.690 -4.926 -5.304 1.00 1.42 H new ATOM 0 HB THR A 38 13.627 -4.453 -5.113 1.00 44.11 H new ATOM 0 HG1 THR A 38 13.720 -5.549 -7.189 1.00 65.34 H new ATOM 0 HG21 THR A 38 13.756 -6.933 -5.337 1.00 34.52 H new ATOM 0 HG22 THR A 38 12.836 -6.426 -3.900 1.00 34.52 H new ATOM 0 HG23 THR A 38 11.978 -7.003 -5.349 1.00 34.52 H new ATOM 563 N LEU A 39 10.571 -4.541 -2.865 1.00 54.14 N ATOM 564 CA LEU A 39 10.441 -4.440 -1.428 1.00 21.11 C ATOM 565 C LEU A 39 10.899 -5.782 -0.883 1.00 12.44 C ATOM 566 O LEU A 39 10.203 -6.791 -1.037 1.00 31.21 O ATOM 567 CB LEU A 39 8.995 -4.092 -1.030 1.00 64.33 C ATOM 568 CG LEU A 39 8.868 -3.272 0.256 1.00 33.40 C ATOM 569 CD1 LEU A 39 9.656 -1.966 0.161 1.00 70.14 C ATOM 570 CD2 LEU A 39 7.392 -2.910 0.445 1.00 2.44 C ATOM 0 H LEU A 39 9.846 -5.120 -3.288 1.00 54.14 H new ATOM 0 HA LEU A 39 11.047 -3.635 -1.012 1.00 21.11 H new ATOM 0 HB2 LEU A 39 8.531 -3.538 -1.846 1.00 64.33 H new ATOM 0 HB3 LEU A 39 8.432 -5.018 -0.912 1.00 64.33 H new ATOM 0 HG LEU A 39 9.257 -3.863 1.085 1.00 33.40 H new ATOM 0 HD11 LEU A 39 9.546 -1.406 1.090 1.00 70.14 H new ATOM 0 HD12 LEU A 39 10.710 -2.188 -0.006 1.00 70.14 H new ATOM 0 HD13 LEU A 39 9.275 -1.371 -0.669 1.00 70.14 H new ATOM 0 HD21 LEU A 39 7.275 -2.324 1.357 1.00 2.44 H new ATOM 0 HD22 LEU A 39 7.049 -2.325 -0.409 1.00 2.44 H new ATOM 0 HD23 LEU A 39 6.801 -3.822 0.522 1.00 2.44 H new ATOM 581 N GLY A 40 12.103 -5.778 -0.315 1.00 14.02 N ATOM 582 CA GLY A 40 12.734 -6.951 0.252 1.00 72.45 C ATOM 583 C GLY A 40 11.875 -7.620 1.323 1.00 73.55 C ATOM 584 O GLY A 40 10.842 -7.110 1.774 1.00 43.32 O ATOM 0 H GLY A 40 12.674 -4.936 -0.238 1.00 14.02 H new ATOM 0 HA2 GLY A 40 12.941 -7.668 -0.543 1.00 72.45 H new ATOM 0 HA3 GLY A 40 13.694 -6.669 0.685 1.00 72.45 H new ATOM 588 N SER A 41 12.329 -8.794 1.736 1.00 43.12 N ATOM 589 CA SER A 41 11.780 -9.547 2.845 1.00 44.45 C ATOM 590 C SER A 41 11.920 -8.689 4.108 1.00 34.32 C ATOM 591 O SER A 41 13.047 -8.426 4.527 1.00 72.35 O ATOM 592 CB SER A 41 12.549 -10.875 2.867 1.00 5.42 C ATOM 593 OG SER A 41 12.366 -11.671 4.020 1.00 54.11 O ATOM 0 H SER A 41 13.118 -9.262 1.290 1.00 43.12 H new ATOM 0 HA SER A 41 10.718 -9.781 2.766 1.00 44.45 H new ATOM 0 HB2 SER A 41 12.254 -11.459 1.995 1.00 5.42 H new ATOM 0 HB3 SER A 41 13.612 -10.660 2.762 1.00 5.42 H new ATOM 0 HG SER A 41 12.894 -12.492 3.938 1.00 54.11 H new ATOM 598 N HIS A 42 10.789 -8.240 4.676 1.00 73.22 N ATOM 599 CA HIS A 42 10.713 -7.345 5.821 1.00 74.43 C ATOM 600 C HIS A 42 11.220 -5.927 5.511 1.00 45.43 C ATOM 601 O HIS A 42 11.543 -5.180 6.436 1.00 53.42 O ATOM 602 CB HIS A 42 11.225 -8.011 7.120 1.00 50.14 C ATOM 603 CG HIS A 42 10.126 -8.679 7.920 1.00 34.10 C ATOM 604 ND1 HIS A 42 10.064 -8.770 9.294 1.00 42.44 N ATOM 605 CD2 HIS A 42 8.971 -9.227 7.428 1.00 10.11 C ATOM 606 CE1 HIS A 42 8.899 -9.353 9.618 1.00 41.45 C ATOM 607 NE2 HIS A 42 8.179 -9.607 8.514 1.00 72.31 N ATOM 0 H HIS A 42 9.868 -8.508 4.328 1.00 73.22 H new ATOM 0 HA HIS A 42 9.661 -7.163 6.040 1.00 74.43 H new ATOM 0 HB2 HIS A 42 11.983 -8.752 6.867 1.00 50.14 H new ATOM 0 HB3 HIS A 42 11.711 -7.258 7.740 1.00 50.14 H new ATOM 0 HD2 HIS A 42 8.718 -9.344 6.385 1.00 10.11 H new ATOM 0 HE1 HIS A 42 8.585 -9.585 10.625 1.00 41.45 H new ATOM 0 HE2 HIS A 42 7.239 -10.000 8.476 1.00 72.31 H new ATOM 614 N ASP A 43 11.192 -5.494 4.242 1.00 41.41 N ATOM 615 CA ASP A 43 11.588 -4.127 3.884 1.00 52.24 C ATOM 616 C ASP A 43 10.393 -3.180 3.884 1.00 45.13 C ATOM 617 O ASP A 43 9.232 -3.602 4.008 1.00 21.12 O ATOM 618 CB ASP A 43 12.261 -4.089 2.511 1.00 64.44 C ATOM 619 CG ASP A 43 13.192 -2.897 2.346 1.00 23.14 C ATOM 620 OD1 ASP A 43 14.293 -2.931 2.927 1.00 5.22 O ATOM 621 OD2 ASP A 43 12.837 -1.920 1.655 1.00 1.04 O ATOM 0 H ASP A 43 10.901 -6.068 3.451 1.00 41.41 H new ATOM 0 HA ASP A 43 12.299 -3.796 4.641 1.00 52.24 H new ATOM 0 HB2 ASP A 43 12.826 -5.009 2.362 1.00 64.44 H new ATOM 0 HB3 ASP A 43 11.495 -4.056 1.736 1.00 64.44 H new ATOM 625 N SER A 44 10.688 -1.904 3.687 1.00 12.01 N ATOM 626 CA SER A 44 9.708 -0.837 3.557 1.00 34.54 C ATOM 627 C SER A 44 10.305 0.381 2.845 1.00 30.41 C ATOM 628 O SER A 44 11.510 0.628 2.918 1.00 10.23 O ATOM 629 CB SER A 44 9.150 -0.451 4.931 1.00 72.25 C ATOM 630 OG SER A 44 10.153 -0.302 5.913 1.00 50.42 O ATOM 0 H SER A 44 11.649 -1.572 3.611 1.00 12.01 H new ATOM 0 HA SER A 44 8.886 -1.206 2.944 1.00 34.54 H new ATOM 0 HB2 SER A 44 8.595 0.483 4.842 1.00 72.25 H new ATOM 0 HB3 SER A 44 8.442 -1.213 5.256 1.00 72.25 H new ATOM 0 HG SER A 44 9.741 -0.054 6.767 1.00 50.42 H new ATOM 635 N ILE A 45 9.438 1.160 2.196 1.00 54.24 N ATOM 636 CA ILE A 45 9.771 2.404 1.512 1.00 65.23 C ATOM 637 C ILE A 45 8.574 3.326 1.609 1.00 53.03 C ATOM 638 O ILE A 45 7.429 2.866 1.573 1.00 14.33 O ATOM 639 CB ILE A 45 10.190 2.130 0.048 1.00 31.33 C ATOM 640 CG1 ILE A 45 10.626 3.432 -0.661 1.00 1.11 C ATOM 641 CG2 ILE A 45 9.086 1.439 -0.784 1.00 34.21 C ATOM 642 CD1 ILE A 45 11.510 3.165 -1.882 1.00 65.23 C ATOM 0 H ILE A 45 8.446 0.930 2.132 1.00 54.24 H new ATOM 0 HA ILE A 45 10.627 2.886 1.985 1.00 65.23 H new ATOM 0 HB ILE A 45 11.034 1.443 0.109 1.00 31.33 H new ATOM 0 HG12 ILE A 45 9.741 3.987 -0.971 1.00 1.11 H new ATOM 0 HG13 ILE A 45 11.167 4.063 0.044 1.00 1.11 H new ATOM 0 HG21 ILE A 45 9.445 1.276 -1.800 1.00 34.21 H new ATOM 0 HG22 ILE A 45 8.834 0.481 -0.330 1.00 34.21 H new ATOM 0 HG23 ILE A 45 8.199 2.072 -0.809 1.00 34.21 H new ATOM 0 HD11 ILE A 45 11.789 4.112 -2.344 1.00 65.23 H new ATOM 0 HD12 ILE A 45 12.410 2.635 -1.571 1.00 65.23 H new ATOM 0 HD13 ILE A 45 10.962 2.558 -2.602 1.00 65.23 H new ATOM 653 N ASP A 46 8.841 4.623 1.704 1.00 44.33 N ATOM 654 CA ASP A 46 7.847 5.671 1.718 1.00 74.22 C ATOM 655 C ASP A 46 8.103 6.637 0.581 1.00 12.01 C ATOM 656 O ASP A 46 9.249 6.878 0.198 1.00 65.10 O ATOM 657 CB ASP A 46 7.742 6.395 3.062 1.00 73.11 C ATOM 658 CG ASP A 46 9.008 6.483 3.922 1.00 34.51 C ATOM 659 OD1 ASP A 46 9.945 7.219 3.570 1.00 44.30 O ATOM 660 OD2 ASP A 46 9.014 5.862 5.009 1.00 73.30 O ATOM 0 H ASP A 46 9.794 4.979 1.776 1.00 44.33 H new ATOM 0 HA ASP A 46 6.877 5.196 1.573 1.00 74.22 H new ATOM 0 HB2 ASP A 46 7.395 7.410 2.870 1.00 73.11 H new ATOM 0 HB3 ASP A 46 6.970 5.900 3.651 1.00 73.11 H new ATOM 664 N PHE A 47 7.012 7.140 0.013 1.00 74.53 N ATOM 665 CA PHE A 47 7.034 8.012 -1.154 1.00 1.23 C ATOM 666 C PHE A 47 5.844 8.980 -1.141 1.00 24.24 C ATOM 667 O PHE A 47 4.780 8.708 -0.569 1.00 51.32 O ATOM 668 CB PHE A 47 7.076 7.170 -2.447 1.00 14.43 C ATOM 669 CG PHE A 47 6.154 5.968 -2.449 1.00 25.15 C ATOM 670 CD1 PHE A 47 6.553 4.772 -1.810 1.00 12.03 C ATOM 671 CD2 PHE A 47 4.903 6.038 -3.088 1.00 50.31 C ATOM 672 CE1 PHE A 47 5.685 3.674 -1.766 1.00 62.10 C ATOM 673 CE2 PHE A 47 4.057 4.918 -3.092 1.00 13.04 C ATOM 674 CZ PHE A 47 4.442 3.752 -2.407 1.00 22.32 C ATOM 0 H PHE A 47 6.071 6.949 0.358 1.00 74.53 H new ATOM 0 HA PHE A 47 7.938 8.620 -1.121 1.00 1.23 H new ATOM 0 HB2 PHE A 47 6.818 7.811 -3.290 1.00 14.43 H new ATOM 0 HB3 PHE A 47 8.098 6.827 -2.608 1.00 14.43 H new ATOM 0 HD1 PHE A 47 7.530 4.705 -1.354 1.00 12.03 H new ATOM 0 HD2 PHE A 47 4.594 6.951 -3.574 1.00 50.31 H new ATOM 0 HE1 PHE A 47 5.972 2.774 -1.242 1.00 62.10 H new ATOM 0 HE2 PHE A 47 3.115 4.952 -3.619 1.00 13.04 H new ATOM 0 HZ PHE A 47 3.771 2.906 -2.375 1.00 22.32 H new ATOM 683 N SER A 48 6.022 10.118 -1.810 1.00 72.42 N ATOM 684 CA SER A 48 5.020 11.160 -1.953 1.00 21.23 C ATOM 685 C SER A 48 3.906 10.725 -2.908 1.00 73.20 C ATOM 686 O SER A 48 4.155 10.072 -3.930 1.00 51.43 O ATOM 687 CB SER A 48 5.707 12.435 -2.460 1.00 12.04 C ATOM 688 OG SER A 48 5.933 13.328 -1.392 1.00 54.14 O ATOM 0 H SER A 48 6.898 10.342 -2.281 1.00 72.42 H new ATOM 0 HA SER A 48 4.557 11.353 -0.985 1.00 21.23 H new ATOM 0 HB2 SER A 48 6.654 12.181 -2.937 1.00 12.04 H new ATOM 0 HB3 SER A 48 5.087 12.914 -3.218 1.00 12.04 H new ATOM 0 HG SER A 48 6.373 14.136 -1.729 1.00 54.14 H new ATOM 693 N SER A 49 2.684 11.157 -2.596 1.00 65.13 N ATOM 694 CA SER A 49 1.470 10.987 -3.376 1.00 51.01 C ATOM 695 C SER A 49 0.824 12.368 -3.536 1.00 10.21 C ATOM 696 O SER A 49 0.978 13.230 -2.668 1.00 23.33 O ATOM 697 CB SER A 49 0.553 9.978 -2.670 1.00 21.31 C ATOM 698 OG SER A 49 0.662 10.056 -1.260 1.00 64.50 O ATOM 0 H SER A 49 2.510 11.669 -1.731 1.00 65.13 H new ATOM 0 HA SER A 49 1.674 10.586 -4.369 1.00 51.01 H new ATOM 0 HB2 SER A 49 -0.481 10.160 -2.964 1.00 21.31 H new ATOM 0 HB3 SER A 49 0.804 8.969 -2.998 1.00 21.31 H new ATOM 0 HG SER A 49 0.020 10.712 -0.918 1.00 64.50 H new ATOM 703 N ASP A 50 0.128 12.590 -4.652 1.00 34.41 N ATOM 704 CA ASP A 50 0.055 13.915 -5.275 1.00 45.01 C ATOM 705 C ASP A 50 -1.391 14.249 -5.648 1.00 12.01 C ATOM 706 O ASP A 50 -1.731 14.453 -6.814 1.00 23.23 O ATOM 707 CB ASP A 50 0.993 13.888 -6.496 1.00 33.44 C ATOM 708 CG ASP A 50 1.673 15.224 -6.817 1.00 64.51 C ATOM 709 OD1 ASP A 50 1.978 15.984 -5.864 1.00 30.45 O ATOM 710 OD2 ASP A 50 2.119 15.383 -7.974 1.00 42.02 O ATOM 0 H ASP A 50 -0.396 11.867 -5.146 1.00 34.41 H new ATOM 0 HA ASP A 50 0.375 14.701 -4.591 1.00 45.01 H new ATOM 0 HB2 ASP A 50 1.764 13.136 -6.327 1.00 33.44 H new ATOM 0 HB3 ASP A 50 0.422 13.569 -7.368 1.00 33.44 H new ATOM 714 N ALA A 51 -2.296 14.150 -4.675 1.00 74.13 N ATOM 715 CA ALA A 51 -3.737 14.121 -4.934 1.00 62.33 C ATOM 716 C ALA A 51 -4.564 14.854 -3.865 1.00 23.13 C ATOM 717 O ALA A 51 -5.752 14.575 -3.704 1.00 42.00 O ATOM 718 CB ALA A 51 -4.136 12.651 -5.117 1.00 22.32 C ATOM 0 H ALA A 51 -2.053 14.088 -3.686 1.00 74.13 H new ATOM 0 HA ALA A 51 -3.962 14.679 -5.843 1.00 62.33 H new ATOM 0 HB1 ALA A 51 -5.206 12.586 -5.313 1.00 22.32 H new ATOM 0 HB2 ALA A 51 -3.587 12.227 -5.958 1.00 22.32 H new ATOM 0 HB3 ALA A 51 -3.898 12.094 -4.211 1.00 22.32 H new ATOM 724 N GLY A 52 -3.946 15.748 -3.090 1.00 10.22 N ATOM 725 CA GLY A 52 -4.618 16.633 -2.140 1.00 70.52 C ATOM 726 C GLY A 52 -5.053 15.962 -0.836 1.00 14.02 C ATOM 727 O GLY A 52 -5.002 16.592 0.220 1.00 30.12 O ATOM 0 H GLY A 52 -2.935 15.879 -3.108 1.00 10.22 H new ATOM 0 HA2 GLY A 52 -3.950 17.461 -1.901 1.00 70.52 H new ATOM 0 HA3 GLY A 52 -5.497 17.061 -2.623 1.00 70.52 H new ATOM 731 N SER A 53 -5.489 14.706 -0.893 1.00 4.11 N ATOM 732 CA SER A 53 -5.928 13.852 0.202 1.00 13.40 C ATOM 733 C SER A 53 -6.261 12.481 -0.397 1.00 23.52 C ATOM 734 O SER A 53 -6.401 12.360 -1.619 1.00 4.02 O ATOM 735 CB SER A 53 -7.148 14.459 0.908 1.00 31.51 C ATOM 736 OG SER A 53 -8.183 14.787 0.008 1.00 63.22 O ATOM 0 H SER A 53 -5.548 14.219 -1.787 1.00 4.11 H new ATOM 0 HA SER A 53 -5.145 13.756 0.954 1.00 13.40 H new ATOM 0 HB2 SER A 53 -7.524 13.753 1.648 1.00 31.51 H new ATOM 0 HB3 SER A 53 -6.843 15.355 1.448 1.00 31.51 H new ATOM 0 HG SER A 53 -8.938 15.168 0.503 1.00 63.22 H new ATOM 741 N VAL A 54 -6.422 11.452 0.436 1.00 5.42 N ATOM 742 CA VAL A 54 -6.796 10.110 -0.006 1.00 10.22 C ATOM 743 C VAL A 54 -7.892 9.568 0.921 1.00 53.05 C ATOM 744 O VAL A 54 -8.002 9.956 2.091 1.00 51.05 O ATOM 745 CB VAL A 54 -5.537 9.207 -0.112 1.00 24.40 C ATOM 746 CG1 VAL A 54 -5.858 7.754 -0.507 1.00 44.32 C ATOM 747 CG2 VAL A 54 -4.567 9.738 -1.179 1.00 1.30 C ATOM 0 H VAL A 54 -6.295 11.528 1.445 1.00 5.42 H new ATOM 0 HA VAL A 54 -7.218 10.130 -1.011 1.00 10.22 H new ATOM 0 HB VAL A 54 -5.098 9.226 0.886 1.00 24.40 H new ATOM 0 HG11 VAL A 54 -4.933 7.179 -0.563 1.00 44.32 H new ATOM 0 HG12 VAL A 54 -6.516 7.311 0.240 1.00 44.32 H new ATOM 0 HG13 VAL A 54 -6.352 7.742 -1.479 1.00 44.32 H new ATOM 0 HG21 VAL A 54 -3.694 9.088 -1.233 1.00 1.30 H new ATOM 0 HG22 VAL A 54 -5.066 9.756 -2.148 1.00 1.30 H new ATOM 0 HG23 VAL A 54 -4.252 10.747 -0.914 1.00 1.30 H new ATOM 757 N TYR A 55 -8.711 8.672 0.374 1.00 1.40 N ATOM 758 CA TYR A 55 -9.734 7.887 1.052 1.00 22.43 C ATOM 759 C TYR A 55 -9.774 6.440 0.562 1.00 25.20 C ATOM 760 O TYR A 55 -10.448 5.616 1.181 1.00 44.04 O ATOM 761 CB TYR A 55 -11.091 8.553 0.876 1.00 14.24 C ATOM 762 CG TYR A 55 -11.407 9.000 -0.546 1.00 45.33 C ATOM 763 CD1 TYR A 55 -11.517 8.059 -1.595 1.00 5.31 C ATOM 764 CD2 TYR A 55 -11.573 10.371 -0.825 1.00 25.20 C ATOM 765 CE1 TYR A 55 -11.816 8.488 -2.899 1.00 32.31 C ATOM 766 CE2 TYR A 55 -11.875 10.806 -2.127 1.00 53.23 C ATOM 767 CZ TYR A 55 -11.997 9.861 -3.168 1.00 4.40 C ATOM 768 OH TYR A 55 -12.242 10.260 -4.445 1.00 25.42 O ATOM 0 H TYR A 55 -8.673 8.463 -0.624 1.00 1.40 H new ATOM 0 HA TYR A 55 -9.481 7.852 2.112 1.00 22.43 H new ATOM 0 HB2 TYR A 55 -11.865 7.859 1.204 1.00 14.24 H new ATOM 0 HB3 TYR A 55 -11.142 9.421 1.534 1.00 14.24 H new ATOM 0 HD1 TYR A 55 -11.371 7.008 -1.394 1.00 5.31 H new ATOM 0 HD2 TYR A 55 -11.467 11.095 -0.031 1.00 25.20 H new ATOM 0 HE1 TYR A 55 -11.907 7.766 -3.697 1.00 32.31 H new ATOM 0 HE2 TYR A 55 -12.013 11.858 -2.330 1.00 53.23 H new ATOM 0 HH TYR A 55 -12.345 11.234 -4.469 1.00 25.42 H new ATOM 777 N LYS A 56 -9.066 6.098 -0.520 1.00 53.43 N ATOM 778 CA LYS A 56 -9.032 4.739 -1.032 1.00 45.04 C ATOM 779 C LYS A 56 -7.644 4.371 -1.508 1.00 10.34 C ATOM 780 O LYS A 56 -6.844 5.238 -1.853 1.00 54.04 O ATOM 781 CB LYS A 56 -10.090 4.566 -2.119 1.00 73.51 C ATOM 782 CG LYS A 56 -9.828 5.296 -3.448 1.00 31.44 C ATOM 783 CD LYS A 56 -10.942 4.928 -4.430 1.00 52.02 C ATOM 784 CE LYS A 56 -10.536 5.153 -5.887 1.00 71.42 C ATOM 785 NZ LYS A 56 -11.492 4.470 -6.777 1.00 14.02 N ATOM 0 H LYS A 56 -8.505 6.758 -1.058 1.00 53.43 H new ATOM 0 HA LYS A 56 -9.273 4.046 -0.225 1.00 45.04 H new ATOM 0 HB2 LYS A 56 -10.194 3.501 -2.328 1.00 73.51 H new ATOM 0 HB3 LYS A 56 -11.046 4.908 -1.723 1.00 73.51 H new ATOM 0 HG2 LYS A 56 -9.803 6.374 -3.290 1.00 31.44 H new ATOM 0 HG3 LYS A 56 -8.857 5.011 -3.852 1.00 31.44 H new ATOM 0 HD2 LYS A 56 -11.215 3.882 -4.290 1.00 52.02 H new ATOM 0 HD3 LYS A 56 -11.829 5.521 -4.207 1.00 52.02 H new ATOM 0 HE2 LYS A 56 -10.515 6.220 -6.109 1.00 71.42 H new ATOM 0 HE3 LYS A 56 -9.529 4.772 -6.058 1.00 71.42 H new ATOM 0 HZ1 LYS A 56 -11.375 4.823 -7.748 1.00 14.02 H new ATOM 0 HZ2 LYS A 56 -11.314 3.446 -6.757 1.00 14.02 H new ATOM 0 HZ3 LYS A 56 -12.463 4.659 -6.455 1.00 14.02 H new ATOM 795 N MET A 57 -7.355 3.080 -1.501 1.00 70.12 N ATOM 796 CA MET A 57 -6.036 2.540 -1.752 1.00 5.22 C ATOM 797 C MET A 57 -6.263 1.201 -2.414 1.00 62.11 C ATOM 798 O MET A 57 -7.130 0.442 -1.988 1.00 13.20 O ATOM 799 CB MET A 57 -5.280 2.458 -0.421 1.00 61.23 C ATOM 800 CG MET A 57 -3.878 1.875 -0.529 1.00 50.24 C ATOM 801 SD MET A 57 -2.789 2.413 0.825 1.00 1.42 S ATOM 802 CE MET A 57 -1.689 3.600 -0.003 1.00 65.55 C ATOM 0 H MET A 57 -8.054 2.361 -1.315 1.00 70.12 H new ATOM 0 HA MET A 57 -5.419 3.155 -2.407 1.00 5.22 H new ATOM 0 HB2 MET A 57 -5.212 3.458 0.007 1.00 61.23 H new ATOM 0 HB3 MET A 57 -5.860 1.852 0.275 1.00 61.23 H new ATOM 0 HG2 MET A 57 -3.940 0.787 -0.529 1.00 50.24 H new ATOM 0 HG3 MET A 57 -3.439 2.169 -1.482 1.00 50.24 H new ATOM 0 HE1 MET A 57 -0.954 3.973 0.710 1.00 65.55 H new ATOM 0 HE2 MET A 57 -1.176 3.106 -0.828 1.00 65.55 H new ATOM 0 HE3 MET A 57 -2.277 4.433 -0.388 1.00 65.55 H new ATOM 810 N ASP A 58 -5.531 0.955 -3.486 1.00 23.31 N ATOM 811 CA ASP A 58 -5.632 -0.212 -4.332 1.00 64.54 C ATOM 812 C ASP A 58 -4.211 -0.654 -4.630 1.00 72.23 C ATOM 813 O ASP A 58 -3.463 0.041 -5.317 1.00 32.40 O ATOM 814 CB ASP A 58 -6.461 0.094 -5.579 1.00 65.53 C ATOM 815 CG ASP A 58 -6.087 -0.790 -6.757 1.00 12.13 C ATOM 816 OD1 ASP A 58 -6.008 -2.015 -6.559 1.00 50.35 O ATOM 817 OD2 ASP A 58 -6.008 -0.257 -7.887 1.00 21.21 O ATOM 0 H ASP A 58 -4.811 1.603 -3.804 1.00 23.31 H new ATOM 0 HA ASP A 58 -6.162 -1.031 -3.845 1.00 64.54 H new ATOM 0 HB2 ASP A 58 -7.518 -0.039 -5.350 1.00 65.53 H new ATOM 0 HB3 ASP A 58 -6.324 1.139 -5.855 1.00 65.53 H new ATOM 821 N VAL A 59 -3.828 -1.765 -4.013 1.00 71.25 N ATOM 822 CA VAL A 59 -2.619 -2.495 -4.326 1.00 45.05 C ATOM 823 C VAL A 59 -2.999 -3.594 -5.307 1.00 62.33 C ATOM 824 O VAL A 59 -4.015 -4.276 -5.133 1.00 62.32 O ATOM 825 CB VAL A 59 -1.994 -3.156 -3.076 1.00 4.23 C ATOM 826 CG1 VAL A 59 -0.635 -3.767 -3.464 1.00 23.33 C ATOM 827 CG2 VAL A 59 -1.797 -2.221 -1.883 1.00 13.43 C ATOM 0 H VAL A 59 -4.370 -2.190 -3.260 1.00 71.25 H new ATOM 0 HA VAL A 59 -1.886 -1.800 -4.735 1.00 45.05 H new ATOM 0 HB VAL A 59 -2.708 -3.911 -2.747 1.00 4.23 H new ATOM 0 HG11 VAL A 59 -0.184 -4.236 -2.590 1.00 23.33 H new ATOM 0 HG12 VAL A 59 -0.782 -4.515 -4.243 1.00 23.33 H new ATOM 0 HG13 VAL A 59 0.024 -2.982 -3.835 1.00 23.33 H new ATOM 0 HG21 VAL A 59 -1.354 -2.775 -1.056 1.00 13.43 H new ATOM 0 HG22 VAL A 59 -1.136 -1.403 -2.167 1.00 13.43 H new ATOM 0 HG23 VAL A 59 -2.761 -1.817 -1.574 1.00 13.43 H new ATOM 837 N THR A 60 -2.080 -3.899 -6.212 1.00 64.51 N ATOM 838 CA THR A 60 -1.935 -5.238 -6.745 1.00 32.43 C ATOM 839 C THR A 60 -0.438 -5.500 -6.840 1.00 13.03 C ATOM 840 O THR A 60 0.353 -4.635 -7.221 1.00 65.21 O ATOM 841 CB THR A 60 -2.753 -5.421 -8.037 1.00 73.15 C ATOM 842 OG1 THR A 60 -2.216 -6.449 -8.857 1.00 43.05 O ATOM 843 CG2 THR A 60 -2.953 -4.159 -8.870 1.00 72.51 C ATOM 0 H THR A 60 -1.417 -3.224 -6.594 1.00 64.51 H new ATOM 0 HA THR A 60 -2.361 -6.005 -6.099 1.00 32.43 H new ATOM 0 HB THR A 60 -3.742 -5.704 -7.675 1.00 73.15 H new ATOM 0 HG1 THR A 60 -2.760 -6.539 -9.667 1.00 43.05 H new ATOM 0 HG21 THR A 60 -3.541 -4.397 -9.756 1.00 72.51 H new ATOM 0 HG22 THR A 60 -3.478 -3.411 -8.277 1.00 72.51 H new ATOM 0 HG23 THR A 60 -1.983 -3.766 -9.173 1.00 72.51 H new ATOM 851 N GLY A 61 -0.018 -6.691 -6.440 1.00 10.11 N ATOM 852 CA GLY A 61 1.370 -7.101 -6.476 1.00 30.23 C ATOM 853 C GLY A 61 1.455 -8.608 -6.626 1.00 5.01 C ATOM 854 O GLY A 61 0.434 -9.290 -6.749 1.00 74.24 O ATOM 0 H GLY A 61 -0.645 -7.408 -6.076 1.00 10.11 H new ATOM 0 HA2 GLY A 61 1.881 -6.614 -7.306 1.00 30.23 H new ATOM 0 HA3 GLY A 61 1.875 -6.788 -5.562 1.00 30.23 H new ATOM 858 N THR A 62 2.685 -9.104 -6.693 1.00 25.43 N ATOM 859 CA THR A 62 3.000 -10.505 -6.903 1.00 74.23 C ATOM 860 C THR A 62 4.276 -10.854 -6.121 1.00 10.14 C ATOM 861 O THR A 62 5.221 -10.054 -6.114 1.00 25.13 O ATOM 862 CB THR A 62 3.142 -10.816 -8.409 1.00 54.24 C ATOM 863 OG1 THR A 62 2.187 -10.087 -9.178 1.00 42.32 O ATOM 864 CG2 THR A 62 2.931 -12.315 -8.652 1.00 24.50 C ATOM 0 H THR A 62 3.515 -8.519 -6.599 1.00 25.43 H new ATOM 0 HA THR A 62 2.185 -11.126 -6.531 1.00 74.23 H new ATOM 0 HB THR A 62 4.144 -10.520 -8.719 1.00 54.24 H new ATOM 0 HG1 THR A 62 2.300 -10.301 -10.128 1.00 42.32 H new ATOM 0 HG21 THR A 62 3.032 -12.529 -9.716 1.00 24.50 H new ATOM 0 HG22 THR A 62 3.677 -12.882 -8.095 1.00 24.50 H new ATOM 0 HG23 THR A 62 1.934 -12.601 -8.318 1.00 24.50 H new ATOM 872 N THR A 63 4.295 -11.995 -5.435 1.00 74.14 N ATOM 873 CA THR A 63 5.398 -12.486 -4.614 1.00 33.24 C ATOM 874 C THR A 63 6.528 -13.021 -5.487 1.00 73.55 C ATOM 875 O THR A 63 6.383 -13.206 -6.703 1.00 52.22 O ATOM 876 CB THR A 63 4.874 -13.555 -3.631 1.00 22.50 C ATOM 877 OG1 THR A 63 4.579 -14.738 -4.344 1.00 13.31 O ATOM 878 CG2 THR A 63 3.630 -13.098 -2.876 1.00 70.14 C ATOM 0 H THR A 63 3.500 -12.634 -5.437 1.00 74.14 H new ATOM 0 HA THR A 63 5.811 -11.661 -4.033 1.00 33.24 H new ATOM 0 HB THR A 63 5.656 -13.731 -2.893 1.00 22.50 H new ATOM 0 HG1 THR A 63 4.386 -15.462 -3.712 1.00 13.31 H new ATOM 0 HG21 THR A 63 3.305 -13.888 -2.199 1.00 70.14 H new ATOM 0 HG22 THR A 63 3.862 -12.201 -2.302 1.00 70.14 H new ATOM 0 HG23 THR A 63 2.833 -12.878 -3.587 1.00 70.14 H new ATOM 886 N GLN A 64 7.663 -13.307 -4.853 1.00 45.04 N ATOM 887 CA GLN A 64 8.755 -14.096 -5.397 1.00 13.03 C ATOM 888 C GLN A 64 8.220 -15.411 -5.984 1.00 51.11 C ATOM 889 O GLN A 64 8.517 -15.715 -7.141 1.00 25.11 O ATOM 890 CB GLN A 64 9.779 -14.288 -4.267 1.00 43.13 C ATOM 891 CG GLN A 64 10.939 -15.238 -4.591 1.00 64.23 C ATOM 892 CD GLN A 64 12.001 -15.172 -3.496 1.00 24.33 C ATOM 893 OE1 GLN A 64 12.070 -16.000 -2.594 1.00 30.20 O ATOM 894 NE2 GLN A 64 12.840 -14.154 -3.536 1.00 33.53 N ATOM 0 H GLN A 64 7.850 -12.979 -3.906 1.00 45.04 H new ATOM 0 HA GLN A 64 9.251 -13.595 -6.229 1.00 13.03 H new ATOM 0 HB2 GLN A 64 10.191 -13.314 -4.003 1.00 43.13 H new ATOM 0 HB3 GLN A 64 9.258 -14.664 -3.386 1.00 43.13 H new ATOM 0 HG2 GLN A 64 10.567 -16.258 -4.685 1.00 64.23 H new ATOM 0 HG3 GLN A 64 11.380 -14.970 -5.551 1.00 64.23 H new ATOM 0 HE21 GLN A 64 12.776 -13.470 -4.290 1.00 33.53 H new ATOM 0 HE22 GLN A 64 13.552 -14.052 -2.813 1.00 33.53 H new ATOM 901 N SER A 65 7.369 -16.110 -5.233 1.00 72.12 N ATOM 902 CA SER A 65 6.677 -17.347 -5.601 1.00 44.14 C ATOM 903 C SER A 65 5.639 -17.170 -6.715 1.00 43.21 C ATOM 904 O SER A 65 5.147 -18.155 -7.269 1.00 1.33 O ATOM 905 CB SER A 65 6.018 -17.896 -4.333 1.00 45.03 C ATOM 906 OG SER A 65 6.927 -18.779 -3.706 1.00 50.44 O ATOM 0 H SER A 65 7.128 -15.808 -4.289 1.00 72.12 H new ATOM 0 HA SER A 65 7.411 -18.042 -6.009 1.00 44.14 H new ATOM 0 HB2 SER A 65 5.754 -17.081 -3.659 1.00 45.03 H new ATOM 0 HB3 SER A 65 5.093 -18.417 -4.581 1.00 45.03 H new ATOM 0 HG SER A 65 6.522 -19.140 -2.890 1.00 50.44 H new ATOM 911 N GLY A 66 5.334 -15.939 -7.116 1.00 32.40 N ATOM 912 CA GLY A 66 4.420 -15.667 -8.211 1.00 51.12 C ATOM 913 C GLY A 66 2.981 -15.576 -7.740 1.00 45.12 C ATOM 914 O GLY A 66 2.099 -15.454 -8.579 1.00 74.55 O ATOM 0 H GLY A 66 5.719 -15.099 -6.684 1.00 32.40 H new ATOM 0 HA2 GLY A 66 4.703 -14.733 -8.696 1.00 51.12 H new ATOM 0 HA3 GLY A 66 4.507 -16.454 -8.960 1.00 51.12 H new ATOM 918 N GLU A 67 2.711 -15.610 -6.437 1.00 63.43 N ATOM 919 CA GLU A 67 1.357 -15.453 -5.939 1.00 32.12 C ATOM 920 C GLU A 67 0.964 -14.012 -6.053 1.00 70.34 C ATOM 921 O GLU A 67 1.771 -13.121 -5.813 1.00 74.43 O ATOM 922 CB GLU A 67 1.228 -15.844 -4.474 1.00 31.10 C ATOM 923 CG GLU A 67 1.540 -17.315 -4.262 1.00 65.35 C ATOM 924 CD GLU A 67 2.553 -17.527 -3.136 1.00 44.01 C ATOM 925 OE1 GLU A 67 3.519 -16.727 -3.047 1.00 71.51 O ATOM 926 OE2 GLU A 67 2.403 -18.508 -2.374 1.00 54.22 O ATOM 0 H GLU A 67 3.415 -15.745 -5.712 1.00 63.43 H new ATOM 0 HA GLU A 67 0.717 -16.105 -6.533 1.00 32.12 H new ATOM 0 HB2 GLU A 67 1.905 -15.237 -3.873 1.00 31.10 H new ATOM 0 HB3 GLU A 67 0.217 -15.632 -4.127 1.00 31.10 H new ATOM 0 HG2 GLU A 67 0.620 -17.851 -4.028 1.00 65.35 H new ATOM 0 HG3 GLU A 67 1.931 -17.740 -5.187 1.00 65.35 H new ATOM 931 N LYS A 68 -0.280 -13.790 -6.430 1.00 51.02 N ATOM 932 CA LYS A 68 -0.774 -12.477 -6.770 1.00 32.41 C ATOM 933 C LYS A 68 -1.745 -12.030 -5.704 1.00 54.35 C ATOM 934 O LYS A 68 -2.740 -12.704 -5.448 1.00 32.51 O ATOM 935 CB LYS A 68 -1.399 -12.572 -8.150 1.00 30.31 C ATOM 936 CG LYS A 68 -1.914 -11.217 -8.626 1.00 44.12 C ATOM 937 CD LYS A 68 -1.352 -10.883 -10.011 1.00 2.42 C ATOM 938 CE LYS A 68 -1.363 -9.375 -10.259 1.00 54.05 C ATOM 939 NZ LYS A 68 -0.393 -8.673 -9.393 1.00 70.53 N ATOM 0 H LYS A 68 -0.981 -14.527 -6.509 1.00 51.02 H new ATOM 0 HA LYS A 68 0.016 -11.727 -6.806 1.00 32.41 H new ATOM 0 HB2 LYS A 68 -0.663 -12.952 -8.858 1.00 30.31 H new ATOM 0 HB3 LYS A 68 -2.221 -13.288 -8.130 1.00 30.31 H new ATOM 0 HG2 LYS A 68 -3.003 -11.228 -8.663 1.00 44.12 H new ATOM 0 HG3 LYS A 68 -1.627 -10.443 -7.915 1.00 44.12 H new ATOM 0 HD2 LYS A 68 -0.333 -11.261 -10.095 1.00 2.42 H new ATOM 0 HD3 LYS A 68 -1.942 -11.385 -10.777 1.00 2.42 H new ATOM 0 HE2 LYS A 68 -1.128 -9.176 -11.305 1.00 54.05 H new ATOM 0 HE3 LYS A 68 -2.364 -8.983 -10.077 1.00 54.05 H new ATOM 0 HZ1 LYS A 68 -0.835 -7.818 -9.000 1.00 70.53 H new ATOM 0 HZ2 LYS A 68 -0.103 -9.301 -8.617 1.00 70.53 H new ATOM 0 HZ3 LYS A 68 0.442 -8.406 -9.953 1.00 70.53 H new ATOM 949 N PHE A 69 -1.450 -10.883 -5.121 1.00 51.01 N ATOM 950 CA PHE A 69 -2.197 -10.304 -4.026 1.00 13.13 C ATOM 951 C PHE A 69 -2.776 -8.978 -4.490 1.00 53.23 C ATOM 952 O PHE A 69 -2.239 -8.338 -5.409 1.00 25.41 O ATOM 953 CB PHE A 69 -1.288 -10.151 -2.797 1.00 23.12 C ATOM 954 CG PHE A 69 -0.019 -9.330 -2.993 1.00 21.24 C ATOM 955 CD1 PHE A 69 -0.041 -7.933 -2.810 1.00 72.41 C ATOM 956 CD2 PHE A 69 1.198 -9.968 -3.307 1.00 2.44 C ATOM 957 CE1 PHE A 69 1.144 -7.185 -2.920 1.00 11.32 C ATOM 958 CE2 PHE A 69 2.385 -9.217 -3.408 1.00 21.30 C ATOM 959 CZ PHE A 69 2.361 -7.826 -3.206 1.00 64.14 C ATOM 0 H PHE A 69 -0.656 -10.311 -5.409 1.00 51.01 H new ATOM 0 HA PHE A 69 -3.021 -10.952 -3.729 1.00 13.13 H new ATOM 0 HB2 PHE A 69 -1.870 -9.695 -1.996 1.00 23.12 H new ATOM 0 HB3 PHE A 69 -1.002 -11.146 -2.457 1.00 23.12 H new ATOM 0 HD1 PHE A 69 -0.972 -7.435 -2.584 1.00 72.41 H new ATOM 0 HD2 PHE A 69 1.220 -11.035 -3.471 1.00 2.44 H new ATOM 0 HE1 PHE A 69 1.119 -6.114 -2.784 1.00 11.32 H new ATOM 0 HE2 PHE A 69 3.317 -9.711 -3.641 1.00 21.30 H new ATOM 0 HZ PHE A 69 3.274 -7.253 -3.270 1.00 64.14 H new ATOM 968 N THR A 70 -3.843 -8.553 -3.829 1.00 12.04 N ATOM 969 CA THR A 70 -4.484 -7.267 -4.035 1.00 25.12 C ATOM 970 C THR A 70 -4.800 -6.655 -2.673 1.00 64.34 C ATOM 971 O THR A 70 -4.849 -7.350 -1.660 1.00 61.53 O ATOM 972 CB THR A 70 -5.752 -7.416 -4.891 1.00 24.31 C ATOM 973 OG1 THR A 70 -6.634 -8.343 -4.292 1.00 11.03 O ATOM 974 CG2 THR A 70 -5.486 -7.891 -6.321 1.00 34.23 C ATOM 0 H THR A 70 -4.300 -9.115 -3.111 1.00 12.04 H new ATOM 0 HA THR A 70 -3.811 -6.604 -4.579 1.00 25.12 H new ATOM 0 HB THR A 70 -6.183 -6.416 -4.944 1.00 24.31 H new ATOM 0 HG1 THR A 70 -7.440 -8.431 -4.843 1.00 11.03 H new ATOM 0 HG21 THR A 70 -6.430 -7.971 -6.859 1.00 34.23 H new ATOM 0 HG22 THR A 70 -4.839 -7.175 -6.828 1.00 34.23 H new ATOM 0 HG23 THR A 70 -4.999 -8.866 -6.296 1.00 34.23 H new ATOM 982 N GLY A 71 -5.027 -5.351 -2.630 1.00 14.03 N ATOM 983 CA GLY A 71 -5.351 -4.653 -1.399 1.00 71.14 C ATOM 984 C GLY A 71 -6.230 -3.478 -1.746 1.00 2.44 C ATOM 985 O GLY A 71 -5.699 -2.392 -1.948 1.00 4.43 O ATOM 0 H GLY A 71 -4.991 -4.747 -3.451 1.00 14.03 H new ATOM 0 HA2 GLY A 71 -5.863 -5.321 -0.706 1.00 71.14 H new ATOM 0 HA3 GLY A 71 -4.442 -4.315 -0.902 1.00 71.14 H new ATOM 989 N HIS A 72 -7.535 -3.701 -1.892 1.00 73.11 N ATOM 990 CA HIS A 72 -8.478 -2.660 -2.278 1.00 12.33 C ATOM 991 C HIS A 72 -9.219 -2.205 -1.026 1.00 25.51 C ATOM 992 O HIS A 72 -9.795 -3.044 -0.328 1.00 52.11 O ATOM 993 CB HIS A 72 -9.456 -3.172 -3.340 1.00 2.20 C ATOM 994 CG HIS A 72 -8.831 -3.968 -4.456 1.00 52.32 C ATOM 995 ND1 HIS A 72 -7.995 -3.492 -5.435 1.00 72.52 N ATOM 996 CD2 HIS A 72 -9.074 -5.283 -4.739 1.00 72.55 C ATOM 997 CE1 HIS A 72 -7.768 -4.474 -6.307 1.00 23.32 C ATOM 998 NE2 HIS A 72 -8.443 -5.592 -5.957 1.00 25.41 N ATOM 0 H HIS A 72 -7.967 -4.613 -1.745 1.00 73.11 H new ATOM 0 HA HIS A 72 -7.943 -1.819 -2.719 1.00 12.33 H new ATOM 0 HB2 HIS A 72 -10.208 -3.791 -2.850 1.00 2.20 H new ATOM 0 HB3 HIS A 72 -9.978 -2.318 -3.772 1.00 2.20 H new ATOM 0 HD1 HIS A 72 -7.613 -2.548 -5.486 1.00 72.52 H new ATOM 0 HD2 HIS A 72 -9.650 -5.966 -4.133 1.00 72.55 H new ATOM 0 HE1 HIS A 72 -7.131 -4.388 -7.175 1.00 23.32 H new ATOM 1005 N PHE A 73 -9.200 -0.906 -0.745 1.00 12.03 N ATOM 1006 CA PHE A 73 -9.708 -0.270 0.463 1.00 53.13 C ATOM 1007 C PHE A 73 -10.459 0.989 0.078 1.00 14.00 C ATOM 1008 O PHE A 73 -10.095 1.627 -0.907 1.00 52.05 O ATOM 1009 CB PHE A 73 -8.542 0.131 1.363 1.00 44.24 C ATOM 1010 CG PHE A 73 -7.708 -1.064 1.793 1.00 34.14 C ATOM 1011 CD1 PHE A 73 -8.151 -1.864 2.864 1.00 63.14 C ATOM 1012 CD2 PHE A 73 -6.562 -1.448 1.071 1.00 30.51 C ATOM 1013 CE1 PHE A 73 -7.439 -3.018 3.235 1.00 31.20 C ATOM 1014 CE2 PHE A 73 -5.873 -2.623 1.425 1.00 71.14 C ATOM 1015 CZ PHE A 73 -6.303 -3.400 2.510 1.00 62.32 C ATOM 0 H PHE A 73 -8.804 -0.228 -1.396 1.00 12.03 H new ATOM 0 HA PHE A 73 -10.363 -0.967 0.987 1.00 53.13 H new ATOM 0 HB2 PHE A 73 -7.907 0.843 0.836 1.00 44.24 H new ATOM 0 HB3 PHE A 73 -8.926 0.640 2.247 1.00 44.24 H new ATOM 0 HD1 PHE A 73 -9.045 -1.589 3.404 1.00 63.14 H new ATOM 0 HD2 PHE A 73 -6.213 -0.843 0.248 1.00 30.51 H new ATOM 0 HE1 PHE A 73 -7.767 -3.609 4.077 1.00 31.20 H new ATOM 0 HE2 PHE A 73 -5.007 -2.928 0.857 1.00 71.14 H new ATOM 0 HZ PHE A 73 -5.759 -4.291 2.786 1.00 62.32 H new ATOM 1024 N LYS A 74 -11.451 1.385 0.877 1.00 11.40 N ATOM 1025 CA LYS A 74 -12.465 2.352 0.449 1.00 11.20 C ATOM 1026 C LYS A 74 -12.866 3.388 1.479 1.00 43.45 C ATOM 1027 O LYS A 74 -13.740 4.213 1.203 1.00 52.04 O ATOM 1028 CB LYS A 74 -13.714 1.567 0.028 1.00 73.45 C ATOM 1029 CG LYS A 74 -13.961 1.817 -1.452 1.00 11.21 C ATOM 1030 CD LYS A 74 -15.294 1.207 -1.865 1.00 70.53 C ATOM 1031 CE LYS A 74 -15.497 1.498 -3.345 1.00 5.13 C ATOM 1032 NZ LYS A 74 -16.820 1.058 -3.809 1.00 45.03 N ATOM 0 H LYS A 74 -11.575 1.048 1.832 1.00 11.40 H new ATOM 0 HA LYS A 74 -12.014 2.921 -0.364 1.00 11.20 H new ATOM 0 HB2 LYS A 74 -13.574 0.502 0.215 1.00 73.45 H new ATOM 0 HB3 LYS A 74 -14.576 1.883 0.615 1.00 73.45 H new ATOM 0 HG2 LYS A 74 -13.963 2.888 -1.653 1.00 11.21 H new ATOM 0 HG3 LYS A 74 -13.154 1.383 -2.043 1.00 11.21 H new ATOM 0 HD2 LYS A 74 -15.296 0.132 -1.683 1.00 70.53 H new ATOM 0 HD3 LYS A 74 -16.108 1.631 -1.277 1.00 70.53 H new ATOM 0 HE2 LYS A 74 -15.386 2.567 -3.524 1.00 5.13 H new ATOM 0 HE3 LYS A 74 -14.722 0.995 -3.924 1.00 5.13 H new ATOM 0 HZ1 LYS A 74 -16.922 1.273 -4.821 1.00 45.03 H new ATOM 0 HZ2 LYS A 74 -16.917 0.033 -3.661 1.00 45.03 H new ATOM 0 HZ3 LYS A 74 -17.559 1.556 -3.273 1.00 45.03 H new ATOM 1042 N GLY A 75 -12.260 3.326 2.646 1.00 1.00 N ATOM 1043 CA GLY A 75 -12.576 4.143 3.784 1.00 64.45 C ATOM 1044 C GLY A 75 -11.245 4.373 4.457 1.00 42.04 C ATOM 1045 O GLY A 75 -10.776 3.493 5.174 1.00 32.10 O ATOM 0 H GLY A 75 -11.499 2.672 2.829 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -13.038 5.083 3.483 1.00 64.45 H new ATOM 0 HA3 GLY A 75 -13.278 3.642 4.451 1.00 64.45 H new ATOM 1049 N LEU A 76 -10.586 5.479 4.119 1.00 42.05 N ATOM 1050 CA LEU A 76 -9.322 5.886 4.721 1.00 73.15 C ATOM 1051 C LEU A 76 -9.436 7.323 5.201 1.00 72.25 C ATOM 1052 O LEU A 76 -10.246 8.099 4.687 1.00 1.22 O ATOM 1053 CB LEU A 76 -8.163 5.778 3.719 1.00 51.15 C ATOM 1054 CG LEU A 76 -7.892 4.371 3.167 1.00 5.34 C ATOM 1055 CD1 LEU A 76 -6.796 4.444 2.104 1.00 73.45 C ATOM 1056 CD2 LEU A 76 -7.448 3.376 4.237 1.00 71.32 C ATOM 0 H LEU A 76 -10.922 6.127 3.407 1.00 42.05 H new ATOM 0 HA LEU A 76 -9.113 5.220 5.558 1.00 73.15 H new ATOM 0 HB2 LEU A 76 -8.368 6.444 2.881 1.00 51.15 H new ATOM 0 HB3 LEU A 76 -7.255 6.141 4.201 1.00 51.15 H new ATOM 0 HG LEU A 76 -8.836 4.016 2.753 1.00 5.34 H new ATOM 0 HD11 LEU A 76 -6.603 3.446 1.711 1.00 73.45 H new ATOM 0 HD12 LEU A 76 -7.119 5.097 1.293 1.00 73.45 H new ATOM 0 HD13 LEU A 76 -5.884 4.842 2.549 1.00 73.45 H new ATOM 0 HD21 LEU A 76 -7.274 2.403 3.779 1.00 71.32 H new ATOM 0 HD22 LEU A 76 -6.527 3.728 4.702 1.00 71.32 H new ATOM 0 HD23 LEU A 76 -8.226 3.286 4.995 1.00 71.32 H new ATOM 1067 N VAL A 77 -8.570 7.684 6.143 1.00 42.34 N ATOM 1068 CA VAL A 77 -8.510 8.990 6.781 1.00 33.34 C ATOM 1069 C VAL A 77 -7.062 9.487 6.758 1.00 14.41 C ATOM 1070 O VAL A 77 -6.150 8.740 6.382 1.00 34.41 O ATOM 1071 CB VAL A 77 -9.095 8.901 8.212 1.00 21.23 C ATOM 1072 CG1 VAL A 77 -10.554 8.427 8.180 1.00 44.22 C ATOM 1073 CG2 VAL A 77 -8.302 7.974 9.148 1.00 45.34 C ATOM 0 H VAL A 77 -7.860 7.043 6.497 1.00 42.34 H new ATOM 0 HA VAL A 77 -9.116 9.716 6.239 1.00 33.34 H new ATOM 0 HB VAL A 77 -9.027 9.913 8.610 1.00 21.23 H new ATOM 0 HG11 VAL A 77 -10.941 8.373 9.197 1.00 44.22 H new ATOM 0 HG12 VAL A 77 -11.152 9.130 7.601 1.00 44.22 H new ATOM 0 HG13 VAL A 77 -10.606 7.441 7.719 1.00 44.22 H new ATOM 0 HG21 VAL A 77 -8.771 7.962 10.132 1.00 45.34 H new ATOM 0 HG22 VAL A 77 -8.293 6.964 8.738 1.00 45.34 H new ATOM 0 HG23 VAL A 77 -7.278 8.338 9.239 1.00 45.34 H new ATOM 1083 N GLY A 78 -6.843 10.734 7.180 1.00 4.44 N ATOM 1084 CA GLY A 78 -5.516 11.294 7.405 1.00 42.14 C ATOM 1085 C GLY A 78 -4.722 11.546 6.132 1.00 50.15 C ATOM 1086 O GLY A 78 -5.107 11.153 5.024 1.00 1.02 O ATOM 0 H GLY A 78 -7.598 11.391 7.377 1.00 4.44 H new ATOM 0 HA2 GLY A 78 -5.618 12.233 7.949 1.00 42.14 H new ATOM 0 HA3 GLY A 78 -4.951 10.615 8.044 1.00 42.14 H new ATOM 1090 N LYS A 79 -3.613 12.270 6.277 1.00 13.34 N ATOM 1091 CA LYS A 79 -2.791 12.719 5.158 1.00 25.34 C ATOM 1092 C LYS A 79 -1.659 11.735 4.851 1.00 25.52 C ATOM 1093 O LYS A 79 -0.780 12.004 4.031 1.00 1.32 O ATOM 1094 CB LYS A 79 -2.277 14.129 5.485 1.00 22.50 C ATOM 1095 CG LYS A 79 -1.954 14.905 4.206 1.00 22.13 C ATOM 1096 CD LYS A 79 -2.693 16.245 4.108 1.00 24.44 C ATOM 1097 CE LYS A 79 -2.791 16.583 2.626 1.00 11.13 C ATOM 1098 NZ LYS A 79 -3.637 17.755 2.358 1.00 72.22 N ATOM 0 H LYS A 79 -3.257 12.564 7.187 1.00 13.34 H new ATOM 0 HA LYS A 79 -3.388 12.757 4.247 1.00 25.34 H new ATOM 0 HB2 LYS A 79 -3.028 14.669 6.062 1.00 22.50 H new ATOM 0 HB3 LYS A 79 -1.385 14.060 6.108 1.00 22.50 H new ATOM 0 HG2 LYS A 79 -0.880 15.086 4.160 1.00 22.13 H new ATOM 0 HG3 LYS A 79 -2.211 14.292 3.342 1.00 22.13 H new ATOM 0 HD2 LYS A 79 -3.685 16.174 4.555 1.00 24.44 H new ATOM 0 HD3 LYS A 79 -2.155 17.024 4.648 1.00 24.44 H new ATOM 0 HE2 LYS A 79 -1.791 16.767 2.234 1.00 11.13 H new ATOM 0 HE3 LYS A 79 -3.191 15.723 2.089 1.00 11.13 H new ATOM 0 HZ1 LYS A 79 -4.258 17.557 1.547 1.00 72.22 H new ATOM 0 HZ2 LYS A 79 -4.217 17.963 3.196 1.00 72.22 H new ATOM 0 HZ3 LYS A 79 -3.035 18.575 2.141 1.00 72.22 H new ATOM 1108 N ASP A 80 -1.658 10.597 5.524 1.00 44.22 N ATOM 1109 CA ASP A 80 -0.598 9.614 5.553 1.00 30.52 C ATOM 1110 C ASP A 80 -1.255 8.245 5.466 1.00 32.22 C ATOM 1111 O ASP A 80 -2.362 8.028 5.964 1.00 50.11 O ATOM 1112 CB ASP A 80 0.222 9.769 6.842 1.00 42.34 C ATOM 1113 CG ASP A 80 -0.633 9.706 8.111 1.00 4.03 C ATOM 1114 OD1 ASP A 80 -1.222 10.752 8.474 1.00 50.13 O ATOM 1115 OD2 ASP A 80 -0.695 8.621 8.738 1.00 70.42 O ATOM 0 H ASP A 80 -2.452 10.321 6.102 1.00 44.22 H new ATOM 0 HA ASP A 80 0.092 9.744 4.719 1.00 30.52 H new ATOM 0 HB2 ASP A 80 0.977 8.984 6.881 1.00 42.34 H new ATOM 0 HB3 ASP A 80 0.752 10.721 6.816 1.00 42.34 H new ATOM 1119 N THR A 81 -0.579 7.324 4.790 1.00 53.23 N ATOM 1120 CA THR A 81 -1.109 6.019 4.450 1.00 61.31 C ATOM 1121 C THR A 81 0.003 4.986 4.582 1.00 5.13 C ATOM 1122 O THR A 81 1.159 5.257 4.251 1.00 42.22 O ATOM 1123 CB THR A 81 -1.704 6.042 3.027 1.00 4.14 C ATOM 1124 OG1 THR A 81 -1.570 7.283 2.342 1.00 11.21 O ATOM 1125 CG2 THR A 81 -3.198 5.734 3.069 1.00 21.54 C ATOM 0 H THR A 81 0.374 7.472 4.458 1.00 53.23 H new ATOM 0 HA THR A 81 -1.915 5.749 5.133 1.00 61.31 H new ATOM 0 HB THR A 81 -1.130 5.289 2.488 1.00 4.14 H new ATOM 0 HG1 THR A 81 -0.635 7.574 2.371 1.00 11.21 H new ATOM 0 HG21 THR A 81 -3.602 5.754 2.057 1.00 21.54 H new ATOM 0 HG22 THR A 81 -3.354 4.746 3.502 1.00 21.54 H new ATOM 0 HG23 THR A 81 -3.707 6.481 3.678 1.00 21.54 H new ATOM 1133 N ARG A 82 -0.344 3.788 5.039 1.00 21.50 N ATOM 1134 CA ARG A 82 0.548 2.644 5.168 1.00 4.40 C ATOM 1135 C ARG A 82 -0.153 1.433 4.590 1.00 42.13 C ATOM 1136 O ARG A 82 -1.360 1.467 4.374 1.00 13.32 O ATOM 1137 CB ARG A 82 0.912 2.441 6.649 1.00 53.22 C ATOM 1138 CG ARG A 82 2.026 3.400 7.084 1.00 30.51 C ATOM 1139 CD ARG A 82 2.354 3.258 8.570 1.00 14.33 C ATOM 1140 NE ARG A 82 1.425 4.026 9.410 1.00 31.42 N ATOM 1141 CZ ARG A 82 1.420 4.048 10.747 1.00 43.45 C ATOM 1142 NH1 ARG A 82 2.278 3.313 11.444 1.00 61.24 N ATOM 1143 NH2 ARG A 82 0.563 4.818 11.399 1.00 71.13 N ATOM 0 H ARG A 82 -1.295 3.580 5.342 1.00 21.50 H new ATOM 0 HA ARG A 82 1.478 2.806 4.623 1.00 4.40 H new ATOM 0 HB2 ARG A 82 0.029 2.601 7.268 1.00 53.22 H new ATOM 0 HB3 ARG A 82 1.232 1.411 6.809 1.00 53.22 H new ATOM 0 HG2 ARG A 82 2.922 3.206 6.495 1.00 30.51 H new ATOM 0 HG3 ARG A 82 1.723 4.426 6.876 1.00 30.51 H new ATOM 0 HD2 ARG A 82 2.314 2.206 8.852 1.00 14.33 H new ATOM 0 HD3 ARG A 82 3.374 3.598 8.751 1.00 14.33 H new ATOM 0 HE ARG A 82 0.723 4.591 8.932 1.00 31.42 H new ATOM 0 HH11 ARG A 82 2.953 2.721 10.960 1.00 61.24 H new ATOM 0 HH12 ARG A 82 2.262 3.340 12.464 1.00 61.24 H new ATOM 0 HH21 ARG A 82 -0.097 5.398 10.881 1.00 71.13 H new ATOM 0 HH22 ARG A 82 0.563 4.831 12.419 1.00 71.13 H new ATOM 1154 N VAL A 83 0.610 0.371 4.356 1.00 71.33 N ATOM 1155 CA VAL A 83 0.144 -0.870 3.766 1.00 5.04 C ATOM 1156 C VAL A 83 0.845 -1.980 4.536 1.00 45.04 C ATOM 1157 O VAL A 83 2.074 -2.065 4.498 1.00 52.15 O ATOM 1158 CB VAL A 83 0.484 -0.899 2.265 1.00 71.42 C ATOM 1159 CG1 VAL A 83 0.022 -2.223 1.635 1.00 1.40 C ATOM 1160 CG2 VAL A 83 -0.159 0.261 1.496 1.00 3.42 C ATOM 0 H VAL A 83 1.605 0.354 4.581 1.00 71.33 H new ATOM 0 HA VAL A 83 -0.938 -0.986 3.834 1.00 5.04 H new ATOM 0 HB VAL A 83 1.567 -0.800 2.192 1.00 71.42 H new ATOM 0 HG11 VAL A 83 0.270 -2.227 0.574 1.00 1.40 H new ATOM 0 HG12 VAL A 83 0.524 -3.055 2.128 1.00 1.40 H new ATOM 0 HG13 VAL A 83 -1.056 -2.327 1.756 1.00 1.40 H new ATOM 0 HG21 VAL A 83 0.112 0.194 0.442 1.00 3.42 H new ATOM 0 HG22 VAL A 83 -1.243 0.207 1.596 1.00 3.42 H new ATOM 0 HG23 VAL A 83 0.196 1.208 1.902 1.00 3.42 H new ATOM 1170 N PHE A 84 0.079 -2.782 5.274 1.00 41.44 N ATOM 1171 CA PHE A 84 0.572 -3.877 6.092 1.00 44.42 C ATOM 1172 C PHE A 84 0.307 -5.164 5.310 1.00 61.32 C ATOM 1173 O PHE A 84 -0.789 -5.713 5.347 1.00 50.45 O ATOM 1174 CB PHE A 84 -0.121 -3.799 7.466 1.00 5.02 C ATOM 1175 CG PHE A 84 0.362 -2.728 8.436 1.00 72.51 C ATOM 1176 CD1 PHE A 84 1.468 -1.897 8.166 1.00 32.10 C ATOM 1177 CD2 PHE A 84 -0.319 -2.574 9.657 1.00 65.54 C ATOM 1178 CE1 PHE A 84 1.844 -0.894 9.074 1.00 51.01 C ATOM 1179 CE2 PHE A 84 0.070 -1.589 10.580 1.00 34.40 C ATOM 1180 CZ PHE A 84 1.138 -0.730 10.276 1.00 44.15 C ATOM 0 H PHE A 84 -0.935 -2.680 5.317 1.00 41.44 H new ATOM 0 HA PHE A 84 1.642 -3.835 6.295 1.00 44.42 H new ATOM 0 HB2 PHE A 84 -1.187 -3.644 7.297 1.00 5.02 H new ATOM 0 HB3 PHE A 84 -0.013 -4.768 7.953 1.00 5.02 H new ATOM 0 HD1 PHE A 84 2.030 -2.033 7.254 1.00 32.10 H new ATOM 0 HD2 PHE A 84 -1.152 -3.222 9.888 1.00 65.54 H new ATOM 0 HE1 PHE A 84 2.679 -0.247 8.847 1.00 51.01 H new ATOM 0 HE2 PHE A 84 -0.451 -1.493 11.521 1.00 34.40 H new ATOM 0 HZ PHE A 84 1.415 0.054 10.965 1.00 44.15 H new ATOM 1189 N ILE A 85 1.279 -5.594 4.505 1.00 12.24 N ATOM 1190 CA ILE A 85 1.211 -6.855 3.767 1.00 61.52 C ATOM 1191 C ILE A 85 1.460 -7.953 4.795 1.00 61.45 C ATOM 1192 O ILE A 85 2.463 -7.876 5.498 1.00 22.52 O ATOM 1193 CB ILE A 85 2.263 -6.902 2.631 1.00 5.10 C ATOM 1194 CG1 ILE A 85 2.240 -5.596 1.814 1.00 32.52 C ATOM 1195 CG2 ILE A 85 1.998 -8.099 1.698 1.00 31.50 C ATOM 1196 CD1 ILE A 85 3.123 -5.583 0.559 1.00 12.01 C ATOM 0 H ILE A 85 2.141 -5.073 4.346 1.00 12.24 H new ATOM 0 HA ILE A 85 0.243 -6.977 3.282 1.00 61.52 H new ATOM 0 HB ILE A 85 3.246 -7.017 3.088 1.00 5.10 H new ATOM 0 HG12 ILE A 85 1.212 -5.394 1.515 1.00 32.52 H new ATOM 0 HG13 ILE A 85 2.550 -4.777 2.463 1.00 32.52 H new ATOM 0 HG21 ILE A 85 2.747 -8.116 0.906 1.00 31.50 H new ATOM 0 HG22 ILE A 85 2.054 -9.025 2.270 1.00 31.50 H new ATOM 0 HG23 ILE A 85 1.006 -8.004 1.257 1.00 31.50 H new ATOM 0 HD11 ILE A 85 3.032 -4.618 0.060 1.00 12.01 H new ATOM 0 HD12 ILE A 85 4.162 -5.748 0.844 1.00 12.01 H new ATOM 0 HD13 ILE A 85 2.803 -6.374 -0.119 1.00 12.01 H new ATOM 1207 N GLU A 86 0.577 -8.940 4.907 1.00 32.34 N ATOM 1208 CA GLU A 86 0.704 -10.056 5.847 1.00 54.32 C ATOM 1209 C GLU A 86 -0.010 -11.278 5.300 1.00 45.35 C ATOM 1210 O GLU A 86 -0.730 -11.199 4.301 1.00 21.11 O ATOM 1211 CB GLU A 86 0.176 -9.704 7.247 1.00 44.23 C ATOM 1212 CG GLU A 86 -1.196 -9.014 7.297 1.00 10.42 C ATOM 1213 CD GLU A 86 -1.521 -8.518 8.712 1.00 10.10 C ATOM 1214 OE1 GLU A 86 -1.051 -7.411 9.076 1.00 2.22 O ATOM 1215 OE2 GLU A 86 -2.229 -9.241 9.456 1.00 3.14 O ATOM 0 H GLU A 86 -0.266 -8.990 4.336 1.00 32.34 H new ATOM 0 HA GLU A 86 1.766 -10.275 5.955 1.00 54.32 H new ATOM 0 HB2 GLU A 86 0.121 -10.621 7.834 1.00 44.23 H new ATOM 0 HB3 GLU A 86 0.904 -9.056 7.736 1.00 44.23 H new ATOM 0 HG2 GLU A 86 -1.208 -8.173 6.603 1.00 10.42 H new ATOM 0 HG3 GLU A 86 -1.967 -9.710 6.967 1.00 10.42 H new ATOM 1220 N LEU A 87 0.248 -12.417 5.941 1.00 43.41 N ATOM 1221 CA LEU A 87 -0.259 -13.687 5.505 1.00 51.23 C ATOM 1222 C LEU A 87 -1.653 -13.922 6.056 1.00 70.15 C ATOM 1223 O LEU A 87 -2.054 -13.424 7.112 1.00 45.44 O ATOM 1224 CB LEU A 87 0.692 -14.830 5.896 1.00 25.52 C ATOM 1225 CG LEU A 87 1.922 -14.965 4.983 1.00 74.52 C ATOM 1226 CD1 LEU A 87 2.697 -13.702 4.779 1.00 73.33 C ATOM 1227 CD2 LEU A 87 2.894 -16.042 5.475 1.00 14.34 C ATOM 0 H LEU A 87 0.821 -12.469 6.783 1.00 43.41 H new ATOM 0 HA LEU A 87 -0.322 -13.671 4.417 1.00 51.23 H new ATOM 0 HB2 LEU A 87 1.029 -14.673 6.921 1.00 25.52 H new ATOM 0 HB3 LEU A 87 0.139 -15.769 5.883 1.00 25.52 H new ATOM 0 HG LEU A 87 1.487 -15.247 4.024 1.00 74.52 H new ATOM 0 HD11 LEU A 87 3.544 -13.897 4.122 1.00 73.33 H new ATOM 0 HD12 LEU A 87 2.052 -12.949 4.326 1.00 73.33 H new ATOM 0 HD13 LEU A 87 3.060 -13.338 5.740 1.00 73.33 H new ATOM 0 HD21 LEU A 87 3.746 -16.100 4.798 1.00 14.34 H new ATOM 0 HD22 LEU A 87 3.243 -15.788 6.476 1.00 14.34 H new ATOM 0 HD23 LEU A 87 2.386 -17.006 5.502 1.00 14.34 H new ATOM 1238 N ASP A 88 -2.364 -14.744 5.309 1.00 53.05 N ATOM 1239 CA ASP A 88 -3.552 -15.463 5.734 1.00 2.22 C ATOM 1240 C ASP A 88 -3.154 -16.572 6.717 1.00 73.24 C ATOM 1241 O ASP A 88 -1.972 -16.884 6.871 1.00 51.01 O ATOM 1242 CB ASP A 88 -4.174 -16.073 4.483 1.00 10.12 C ATOM 1243 CG ASP A 88 -5.650 -16.426 4.612 1.00 73.11 C ATOM 1244 OD1 ASP A 88 -6.007 -17.411 5.294 1.00 21.44 O ATOM 1245 OD2 ASP A 88 -6.458 -15.799 3.898 1.00 2.21 O ATOM 0 H ASP A 88 -2.117 -14.939 4.339 1.00 53.05 H new ATOM 0 HA ASP A 88 -4.259 -14.800 6.233 1.00 2.22 H new ATOM 0 HB2 ASP A 88 -4.053 -15.374 3.656 1.00 10.12 H new ATOM 0 HB3 ASP A 88 -3.620 -16.975 4.222 1.00 10.12 H new ATOM 1249 N GLU A 89 -4.138 -17.244 7.314 1.00 32.32 N ATOM 1250 CA GLU A 89 -3.955 -18.342 8.262 1.00 70.12 C ATOM 1251 C GLU A 89 -3.027 -19.424 7.701 1.00 3.44 C ATOM 1252 O GLU A 89 -2.205 -20.012 8.409 1.00 10.00 O ATOM 1253 CB GLU A 89 -5.346 -18.925 8.602 1.00 42.32 C ATOM 1254 CG GLU A 89 -5.940 -19.949 7.619 1.00 22.24 C ATOM 1255 CD GLU A 89 -7.374 -20.332 7.963 1.00 42.01 C ATOM 1256 OE1 GLU A 89 -7.565 -21.044 8.971 1.00 3.02 O ATOM 1257 OE2 GLU A 89 -8.301 -19.900 7.237 1.00 14.14 O ATOM 0 H GLU A 89 -5.121 -17.030 7.144 1.00 32.32 H new ATOM 0 HA GLU A 89 -3.478 -17.964 9.166 1.00 70.12 H new ATOM 0 HB2 GLU A 89 -5.284 -19.396 9.583 1.00 42.32 H new ATOM 0 HB3 GLU A 89 -6.047 -18.095 8.690 1.00 42.32 H new ATOM 0 HG2 GLU A 89 -5.910 -19.537 6.610 1.00 22.24 H new ATOM 0 HG3 GLU A 89 -5.320 -20.845 7.616 1.00 22.24 H new ATOM 1262 N ASN A 90 -3.171 -19.669 6.401 1.00 21.50 N ATOM 1263 CA ASN A 90 -2.565 -20.757 5.658 1.00 34.54 C ATOM 1264 C ASN A 90 -1.284 -20.321 4.947 1.00 14.11 C ATOM 1265 O ASN A 90 -0.783 -21.084 4.125 1.00 43.23 O ATOM 1266 CB ASN A 90 -3.598 -21.340 4.680 1.00 74.51 C ATOM 1267 CG ASN A 90 -3.891 -20.434 3.496 1.00 65.55 C ATOM 1268 OD1 ASN A 90 -3.371 -20.618 2.410 1.00 42.44 O ATOM 1269 ND2 ASN A 90 -4.747 -19.446 3.674 1.00 54.23 N ATOM 0 H ASN A 90 -3.750 -19.074 5.808 1.00 21.50 H new ATOM 0 HA ASN A 90 -2.266 -21.537 6.358 1.00 34.54 H new ATOM 0 HB2 ASN A 90 -3.236 -22.300 4.312 1.00 74.51 H new ATOM 0 HB3 ASN A 90 -4.526 -21.534 5.217 1.00 74.51 H new ATOM 0 HD21 ASN A 90 -4.980 -18.827 2.898 1.00 54.23 H new ATOM 0 HD22 ASN A 90 -5.176 -19.302 4.588 1.00 54.23 H new ATOM 1275 N ALA A 91 -0.738 -19.134 5.248 1.00 33.40 N ATOM 1276 CA ALA A 91 0.340 -18.520 4.481 1.00 64.15 C ATOM 1277 C ALA A 91 -0.080 -18.444 3.004 1.00 21.24 C ATOM 1278 O ALA A 91 0.580 -18.987 2.118 1.00 14.42 O ATOM 1279 CB ALA A 91 1.670 -19.246 4.750 1.00 63.32 C ATOM 0 H ALA A 91 -1.041 -18.571 6.043 1.00 33.40 H new ATOM 0 HA ALA A 91 0.520 -17.493 4.798 1.00 64.15 H new ATOM 0 HB1 ALA A 91 2.465 -18.776 4.170 1.00 63.32 H new ATOM 0 HB2 ALA A 91 1.910 -19.184 5.811 1.00 63.32 H new ATOM 0 HB3 ALA A 91 1.579 -20.292 4.459 1.00 63.32 H new ATOM 1285 N ASP A 92 -1.194 -17.747 2.782 1.00 31.54 N ATOM 1286 CA ASP A 92 -1.574 -17.072 1.535 1.00 1.12 C ATOM 1287 C ASP A 92 -1.339 -15.605 1.782 1.00 73.21 C ATOM 1288 O ASP A 92 -0.903 -15.255 2.882 1.00 12.42 O ATOM 1289 CB ASP A 92 -3.057 -17.255 1.226 1.00 62.21 C ATOM 1290 CG ASP A 92 -3.546 -16.720 -0.123 1.00 5.21 C ATOM 1291 OD1 ASP A 92 -2.734 -16.544 -1.060 1.00 42.05 O ATOM 1292 OD2 ASP A 92 -4.757 -16.478 -0.274 1.00 41.15 O ATOM 0 H ASP A 92 -1.899 -17.630 3.509 1.00 31.54 H new ATOM 0 HA ASP A 92 -1.001 -17.478 0.701 1.00 1.12 H new ATOM 0 HB2 ASP A 92 -3.286 -18.319 1.274 1.00 62.21 H new ATOM 0 HB3 ASP A 92 -3.632 -16.769 2.014 1.00 62.21 H new ATOM 1296 N VAL A 93 -1.648 -14.747 0.813 1.00 24.31 N ATOM 1297 CA VAL A 93 -1.224 -13.380 0.875 1.00 12.40 C ATOM 1298 C VAL A 93 -2.395 -12.417 0.827 1.00 42.34 C ATOM 1299 O VAL A 93 -3.019 -12.270 -0.226 1.00 44.15 O ATOM 1300 CB VAL A 93 -0.194 -13.094 -0.226 1.00 22.24 C ATOM 1301 CG1 VAL A 93 0.458 -11.730 0.016 1.00 12.40 C ATOM 1302 CG2 VAL A 93 0.868 -14.195 -0.280 1.00 2.20 C ATOM 0 H VAL A 93 -2.190 -14.988 -0.017 1.00 24.31 H new ATOM 0 HA VAL A 93 -0.741 -13.218 1.839 1.00 12.40 H new ATOM 0 HB VAL A 93 -0.707 -13.077 -1.187 1.00 22.24 H new ATOM 0 HG11 VAL A 93 1.188 -11.532 -0.768 1.00 12.40 H new ATOM 0 HG12 VAL A 93 -0.307 -10.954 0.004 1.00 12.40 H new ATOM 0 HG13 VAL A 93 0.957 -11.732 0.985 1.00 12.40 H new ATOM 0 HG21 VAL A 93 1.586 -13.969 -1.068 1.00 2.20 H new ATOM 0 HG22 VAL A 93 1.385 -14.249 0.678 1.00 2.20 H new ATOM 0 HG23 VAL A 93 0.390 -15.152 -0.488 1.00 2.20 H new ATOM 1312 N GLN A 94 -2.651 -11.724 1.935 1.00 1.43 N ATOM 1313 CA GLN A 94 -3.688 -10.707 2.029 1.00 73.13 C ATOM 1314 C GLN A 94 -3.032 -9.355 2.323 1.00 71.23 C ATOM 1315 O GLN A 94 -1.803 -9.216 2.285 1.00 71.23 O ATOM 1316 CB GLN A 94 -4.786 -11.109 3.037 1.00 22.50 C ATOM 1317 CG GLN A 94 -5.191 -12.598 3.014 1.00 34.31 C ATOM 1318 CD GLN A 94 -5.567 -13.184 1.645 1.00 70.22 C ATOM 1319 OE1 GLN A 94 -5.833 -12.481 0.670 1.00 14.03 O ATOM 1320 NE2 GLN A 94 -5.585 -14.499 1.546 1.00 5.43 N ATOM 0 H GLN A 94 -2.134 -11.858 2.804 1.00 1.43 H new ATOM 0 HA GLN A 94 -4.212 -10.614 1.078 1.00 73.13 H new ATOM 0 HB2 GLN A 94 -4.443 -10.858 4.041 1.00 22.50 H new ATOM 0 HB3 GLN A 94 -5.673 -10.506 2.843 1.00 22.50 H new ATOM 0 HG2 GLN A 94 -4.366 -13.183 3.420 1.00 34.31 H new ATOM 0 HG3 GLN A 94 -6.038 -12.732 3.687 1.00 34.31 H new ATOM 0 HE21 GLN A 94 -5.363 -15.075 2.358 1.00 5.43 H new ATOM 0 HE22 GLN A 94 -5.820 -14.940 0.657 1.00 5.43 H new ATOM 1327 N VAL A 95 -3.846 -8.321 2.543 1.00 22.34 N ATOM 1328 CA VAL A 95 -3.362 -6.979 2.820 1.00 23.42 C ATOM 1329 C VAL A 95 -4.203 -6.413 3.953 1.00 53.14 C ATOM 1330 O VAL A 95 -5.428 -6.548 3.983 1.00 21.21 O ATOM 1331 CB VAL A 95 -3.403 -6.105 1.547 1.00 3.02 C ATOM 1332 CG1 VAL A 95 -2.812 -4.705 1.800 1.00 10.44 C ATOM 1333 CG2 VAL A 95 -2.603 -6.746 0.401 1.00 2.04 C ATOM 0 H VAL A 95 -4.863 -8.397 2.533 1.00 22.34 H new ATOM 0 HA VAL A 95 -2.317 -6.996 3.129 1.00 23.42 H new ATOM 0 HB VAL A 95 -4.455 -6.021 1.272 1.00 3.02 H new ATOM 0 HG11 VAL A 95 -2.858 -4.119 0.882 1.00 10.44 H new ATOM 0 HG12 VAL A 95 -3.385 -4.203 2.580 1.00 10.44 H new ATOM 0 HG13 VAL A 95 -1.774 -4.800 2.118 1.00 10.44 H new ATOM 0 HG21 VAL A 95 -2.652 -6.106 -0.480 1.00 2.04 H new ATOM 0 HG22 VAL A 95 -1.563 -6.865 0.705 1.00 2.04 H new ATOM 0 HG23 VAL A 95 -3.026 -7.722 0.164 1.00 2.04 H new ATOM 1343 N PHE A 96 -3.530 -5.725 4.863 1.00 11.40 N ATOM 1344 CA PHE A 96 -4.078 -5.072 6.025 1.00 32.51 C ATOM 1345 C PHE A 96 -3.628 -3.620 6.038 1.00 70.32 C ATOM 1346 O PHE A 96 -2.773 -3.194 5.252 1.00 51.33 O ATOM 1347 CB PHE A 96 -3.588 -5.821 7.271 1.00 43.41 C ATOM 1348 CG PHE A 96 -4.535 -5.697 8.442 1.00 3.03 C ATOM 1349 CD1 PHE A 96 -5.671 -6.524 8.477 1.00 12.04 C ATOM 1350 CD2 PHE A 96 -4.304 -4.774 9.482 1.00 64.45 C ATOM 1351 CE1 PHE A 96 -6.581 -6.427 9.539 1.00 62.23 C ATOM 1352 CE2 PHE A 96 -5.197 -4.726 10.572 1.00 2.01 C ATOM 1353 CZ PHE A 96 -6.337 -5.544 10.600 1.00 31.31 C ATOM 0 H PHE A 96 -2.519 -5.605 4.798 1.00 11.40 H new ATOM 0 HA PHE A 96 -5.168 -5.087 6.009 1.00 32.51 H new ATOM 0 HB2 PHE A 96 -3.456 -6.875 7.027 1.00 43.41 H new ATOM 0 HB3 PHE A 96 -2.610 -5.436 7.559 1.00 43.41 H new ATOM 0 HD1 PHE A 96 -5.843 -7.236 7.684 1.00 12.04 H new ATOM 0 HD2 PHE A 96 -3.452 -4.111 9.444 1.00 64.45 H new ATOM 0 HE1 PHE A 96 -7.474 -7.035 9.540 1.00 62.23 H new ATOM 0 HE2 PHE A 96 -5.002 -4.053 11.394 1.00 2.01 H new ATOM 0 HZ PHE A 96 -7.022 -5.494 11.434 1.00 31.31 H new ATOM 1362 N ILE A 97 -4.191 -2.845 6.959 1.00 70.21 N ATOM 1363 CA ILE A 97 -3.814 -1.462 7.175 1.00 54.21 C ATOM 1364 C ILE A 97 -4.042 -1.053 8.626 1.00 10.34 C ATOM 1365 O ILE A 97 -5.009 -1.519 9.242 1.00 1.24 O ATOM 1366 CB ILE A 97 -4.590 -0.513 6.232 1.00 50.03 C ATOM 1367 CG1 ILE A 97 -6.049 -0.957 5.995 1.00 32.10 C ATOM 1368 CG2 ILE A 97 -3.848 -0.337 4.902 1.00 30.40 C ATOM 1369 CD1 ILE A 97 -6.813 0.058 5.154 1.00 12.34 C ATOM 0 H ILE A 97 -4.931 -3.169 7.582 1.00 70.21 H new ATOM 0 HA ILE A 97 -2.751 -1.378 6.950 1.00 54.21 H new ATOM 0 HB ILE A 97 -4.640 0.452 6.737 1.00 50.03 H new ATOM 0 HG12 ILE A 97 -6.059 -1.926 5.495 1.00 32.10 H new ATOM 0 HG13 ILE A 97 -6.551 -1.088 6.954 1.00 32.10 H new ATOM 0 HG21 ILE A 97 -4.413 0.335 4.256 1.00 30.40 H new ATOM 0 HG22 ILE A 97 -2.861 0.085 5.089 1.00 30.40 H new ATOM 0 HG23 ILE A 97 -3.741 -1.306 4.414 1.00 30.40 H new ATOM 0 HD11 ILE A 97 -7.836 -0.288 5.007 1.00 12.34 H new ATOM 0 HD12 ILE A 97 -6.825 1.020 5.666 1.00 12.34 H new ATOM 0 HD13 ILE A 97 -6.325 0.169 4.186 1.00 12.34 H new ATOM 1380 N PRO A 98 -3.201 -0.143 9.148 1.00 53.45 N ATOM 1381 CA PRO A 98 -3.453 0.560 10.386 1.00 33.52 C ATOM 1382 C PRO A 98 -4.644 1.492 10.156 1.00 71.45 C ATOM 1383 O PRO A 98 -4.548 2.435 9.372 1.00 33.11 O ATOM 1384 CB PRO A 98 -2.159 1.299 10.736 1.00 3.01 C ATOM 1385 CG PRO A 98 -1.489 1.511 9.385 1.00 43.04 C ATOM 1386 CD PRO A 98 -1.978 0.346 8.529 1.00 74.25 C ATOM 0 HA PRO A 98 -3.712 -0.091 11.221 1.00 33.52 H new ATOM 0 HB2 PRO A 98 -2.361 2.246 11.236 1.00 3.01 H new ATOM 0 HB3 PRO A 98 -1.531 0.712 11.407 1.00 3.01 H new ATOM 0 HG2 PRO A 98 -1.770 2.470 8.949 1.00 43.04 H new ATOM 0 HG3 PRO A 98 -0.403 1.508 9.476 1.00 43.04 H new ATOM 0 HD2 PRO A 98 -2.165 0.670 7.505 1.00 74.25 H new ATOM 0 HD3 PRO A 98 -1.226 -0.442 8.482 1.00 74.25 H new ATOM 1391 N GLN A 99 -5.783 1.200 10.777 1.00 72.23 N ATOM 1392 CA GLN A 99 -6.982 2.025 10.827 1.00 70.33 C ATOM 1393 C GLN A 99 -7.537 1.913 12.255 1.00 10.10 C ATOM 1394 O GLN A 99 -6.951 1.228 13.099 1.00 4.12 O ATOM 1395 CB GLN A 99 -8.003 1.538 9.776 1.00 21.23 C ATOM 1396 CG GLN A 99 -7.657 1.868 8.315 1.00 12.44 C ATOM 1397 CD GLN A 99 -7.566 3.371 8.032 1.00 74.11 C ATOM 1398 OE1 GLN A 99 -8.567 4.076 7.948 1.00 1.13 O ATOM 1399 NE2 GLN A 99 -6.371 3.911 7.900 1.00 65.13 N ATOM 0 H GLN A 99 -5.899 0.326 11.290 1.00 72.23 H new ATOM 0 HA GLN A 99 -6.765 3.067 10.593 1.00 70.33 H new ATOM 0 HB2 GLN A 99 -8.109 0.457 9.871 1.00 21.23 H new ATOM 0 HB3 GLN A 99 -8.974 1.975 10.009 1.00 21.23 H new ATOM 0 HG2 GLN A 99 -6.706 1.400 8.061 1.00 12.44 H new ATOM 0 HG3 GLN A 99 -8.412 1.429 7.663 1.00 12.44 H new ATOM 0 HE21 GLN A 99 -5.537 3.328 7.969 1.00 65.13 H new ATOM 0 HE22 GLN A 99 -6.280 4.912 7.729 1.00 65.13 H new