USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 944 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 48 THR OG1 : rot 17:sc= 0.698 USER MOD Set 1.2: A 83 HIS : no HE2:sc= 0.149 K(o=0.85,f=-1.3) USER MOD Single : A 11 SER OG : rot 42:sc= 1.39 USER MOD Single : A 15 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.055) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 148:sc= 1.28 USER MOD Single : A 24 ASN : amide:sc= 0.112 K(o=0.11,f=-4.8!) USER MOD Single : A 37 THR OG1 : rot 101:sc= 0.672 USER MOD Single : A 46 HIS : no HD1:sc= -0.195 K(o=-0.02,f=-4!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -144:sc= 0.55 (180deg=-2.18!) USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= -0.663! (180deg=-1.38!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -164:sc= 0 (180deg=-0.293) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= -0.94 (180deg=-1.05) USER MOD Single : A 78 LYS NZ :NH3+ -144:sc= 0.86 (180deg=0.287) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -129:sc= 0.371 (180deg=-2.21!) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= 0.451 (180deg=-0.467!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= -0.683! (180deg=-0.683!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.621 -3.315 10.192 1.00 1.97 N ATOM 56 CA GLU A 5 4.071 -2.104 10.786 1.00 1.26 C ATOM 57 C GLU A 5 3.043 -1.469 9.823 1.00 1.11 C ATOM 58 O GLU A 5 3.309 -0.460 9.172 1.00 1.65 O ATOM 59 CB GLU A 5 5.280 -1.221 11.126 1.00 3.08 C ATOM 60 CG GLU A 5 5.005 -0.055 12.070 1.00 4.34 C ATOM 61 CD GLU A 5 6.307 0.713 12.251 1.00 5.91 C ATOM 62 OE1 GLU A 5 6.570 1.630 11.448 1.00 7.21 O ATOM 63 OE2 GLU A 5 7.129 0.361 13.121 1.00 6.28 O ATOM 0 HA GLU A 5 3.506 -2.279 11.701 1.00 1.26 H new ATOM 0 HB2 GLU A 5 6.052 -1.850 11.570 1.00 3.08 H new ATOM 0 HB3 GLU A 5 5.689 -0.823 10.197 1.00 3.08 H new ATOM 0 HG2 GLU A 5 4.232 0.595 11.660 1.00 4.34 H new ATOM 0 HG3 GLU A 5 4.639 -0.419 13.030 1.00 4.34 H new ATOM 70 N GLY A 6 1.880 -2.110 9.647 1.00 1.00 N ATOM 71 CA GLY A 6 0.799 -1.613 8.782 1.00 0.90 C ATOM 72 C GLY A 6 -0.589 -2.145 9.127 1.00 0.83 C ATOM 73 O GLY A 6 -0.741 -2.975 10.022 1.00 0.96 O ATOM 0 H GLY A 6 1.660 -2.995 10.104 1.00 1.00 H new ATOM 0 HA2 GLY A 6 0.780 -0.525 8.836 1.00 0.90 H new ATOM 0 HA3 GLY A 6 1.028 -1.877 7.749 1.00 0.90 H new ATOM 77 N TRP A 7 -1.594 -1.713 8.358 1.00 0.73 N ATOM 78 CA TRP A 7 -2.974 -2.214 8.400 1.00 0.69 C ATOM 79 C TRP A 7 -3.605 -2.303 6.995 1.00 0.61 C ATOM 80 O TRP A 7 -3.103 -1.719 6.032 1.00 0.67 O ATOM 81 CB TRP A 7 -3.821 -1.307 9.307 1.00 0.75 C ATOM 82 CG TRP A 7 -4.158 0.045 8.745 1.00 0.71 C ATOM 83 CD1 TRP A 7 -5.321 0.365 8.133 1.00 0.83 C ATOM 84 CD2 TRP A 7 -3.380 1.285 8.764 1.00 1.05 C ATOM 85 NE1 TRP A 7 -5.340 1.704 7.812 1.00 1.26 N ATOM 86 CE2 TRP A 7 -4.174 2.328 8.194 1.00 1.40 C ATOM 87 CE3 TRP A 7 -2.096 1.643 9.231 1.00 1.25 C ATOM 88 CZ2 TRP A 7 -3.732 3.658 8.120 1.00 1.90 C ATOM 89 CZ3 TRP A 7 -1.634 2.971 9.144 1.00 1.70 C ATOM 90 CH2 TRP A 7 -2.453 3.978 8.605 1.00 2.02 C ATOM 0 H TRP A 7 -1.465 -0.978 7.663 1.00 0.73 H new ATOM 0 HA TRP A 7 -2.950 -3.226 8.805 1.00 0.69 H new ATOM 0 HB2 TRP A 7 -4.751 -1.825 9.541 1.00 0.75 H new ATOM 0 HB3 TRP A 7 -3.289 -1.167 10.248 1.00 0.75 H new ATOM 0 HD1 TRP A 7 -6.121 -0.331 7.926 1.00 0.83 H new ATOM 0 HE1 TRP A 7 -6.119 2.174 7.350 1.00 1.26 H new ATOM 0 HE3 TRP A 7 -1.458 0.886 9.662 1.00 1.25 H new ATOM 0 HZ2 TRP A 7 -4.365 4.424 7.697 1.00 1.90 H new ATOM 0 HZ3 TRP A 7 -0.643 3.217 9.494 1.00 1.70 H new ATOM 0 HH2 TRP A 7 -2.099 4.998 8.564 1.00 2.02 H new ATOM 101 N VAL A 8 -4.733 -3.008 6.876 1.00 0.73 N ATOM 102 CA VAL A 8 -5.608 -2.971 5.690 1.00 0.77 C ATOM 103 C VAL A 8 -6.859 -2.167 6.049 1.00 0.79 C ATOM 104 O VAL A 8 -7.435 -2.360 7.121 1.00 0.83 O ATOM 105 CB VAL A 8 -5.989 -4.392 5.213 1.00 0.90 C ATOM 106 CG1 VAL A 8 -6.995 -4.372 4.047 1.00 1.07 C ATOM 107 CG2 VAL A 8 -4.743 -5.173 4.760 1.00 0.93 C ATOM 0 H VAL A 8 -5.073 -3.631 7.608 1.00 0.73 H new ATOM 0 HA VAL A 8 -5.076 -2.498 4.864 1.00 0.77 H new ATOM 0 HB VAL A 8 -6.453 -4.881 6.069 1.00 0.90 H new ATOM 0 HG11 VAL A 8 -7.229 -5.395 3.751 1.00 1.07 H new ATOM 0 HG12 VAL A 8 -7.908 -3.868 4.363 1.00 1.07 H new ATOM 0 HG13 VAL A 8 -6.561 -3.839 3.201 1.00 1.07 H new ATOM 0 HG21 VAL A 8 -5.038 -6.169 4.429 1.00 0.93 H new ATOM 0 HG22 VAL A 8 -4.262 -4.645 3.937 1.00 0.93 H new ATOM 0 HG23 VAL A 8 -4.045 -5.259 5.593 1.00 0.93 H new ATOM 117 N ARG A 9 -7.281 -1.272 5.148 1.00 0.82 N ATOM 118 CA ARG A 9 -8.515 -0.513 5.322 1.00 0.89 C ATOM 119 C ARG A 9 -9.725 -1.389 5.002 1.00 1.00 C ATOM 120 O ARG A 9 -9.991 -1.695 3.840 1.00 1.89 O ATOM 121 CB ARG A 9 -8.493 0.747 4.443 1.00 1.03 C ATOM 122 CG ARG A 9 -9.816 1.515 4.534 1.00 1.41 C ATOM 123 CD ARG A 9 -9.768 2.844 3.779 1.00 1.61 C ATOM 124 NE ARG A 9 -10.081 3.953 4.681 1.00 2.02 N ATOM 125 CZ ARG A 9 -11.195 4.653 4.807 1.00 2.84 C ATOM 126 NH1 ARG A 9 -12.274 4.442 4.080 1.00 3.49 N ATOM 127 NH2 ARG A 9 -11.206 5.585 5.728 1.00 3.72 N ATOM 0 H ARG A 9 -6.778 -1.058 4.287 1.00 0.82 H new ATOM 0 HA ARG A 9 -8.594 -0.197 6.362 1.00 0.89 H new ATOM 0 HB2 ARG A 9 -7.673 1.394 4.753 1.00 1.03 H new ATOM 0 HB3 ARG A 9 -8.304 0.466 3.407 1.00 1.03 H new ATOM 0 HG2 ARG A 9 -10.620 0.899 4.130 1.00 1.41 H new ATOM 0 HG3 ARG A 9 -10.053 1.703 5.581 1.00 1.41 H new ATOM 0 HD2 ARG A 9 -8.779 2.988 3.345 1.00 1.61 H new ATOM 0 HD3 ARG A 9 -10.479 2.827 2.953 1.00 1.61 H new ATOM 0 HE ARG A 9 -9.324 4.227 5.308 1.00 2.02 H new ATOM 0 HH11 ARG A 9 -12.278 3.705 3.375 1.00 3.49 H new ATOM 0 HH12 ARG A 9 -13.105 5.015 4.223 1.00 3.49 H new ATOM 0 HH21 ARG A 9 -10.380 5.741 6.306 1.00 3.72 H new ATOM 0 HH22 ARG A 9 -12.041 6.155 5.867 1.00 3.72 H new ATOM 141 N PHE A 10 -10.541 -1.678 6.013 1.00 0.89 N ATOM 142 CA PHE A 10 -11.935 -2.050 5.801 1.00 0.74 C ATOM 143 C PHE A 10 -12.680 -0.894 5.118 1.00 1.06 C ATOM 144 O PHE A 10 -12.601 0.256 5.555 1.00 1.73 O ATOM 145 CB PHE A 10 -12.603 -2.362 7.147 1.00 1.07 C ATOM 146 CG PHE A 10 -14.111 -2.443 7.043 1.00 1.12 C ATOM 147 CD1 PHE A 10 -14.901 -1.289 7.199 1.00 1.71 C ATOM 148 CD2 PHE A 10 -14.711 -3.648 6.661 1.00 2.91 C ATOM 149 CE1 PHE A 10 -16.282 -1.342 6.953 1.00 1.83 C ATOM 150 CE2 PHE A 10 -16.104 -3.726 6.516 1.00 2.99 C ATOM 151 CZ PHE A 10 -16.894 -2.569 6.641 1.00 1.46 C ATOM 0 H PHE A 10 -10.257 -1.661 6.993 1.00 0.89 H new ATOM 0 HA PHE A 10 -11.974 -2.935 5.166 1.00 0.74 H new ATOM 0 HB2 PHE A 10 -12.218 -3.307 7.529 1.00 1.07 H new ATOM 0 HB3 PHE A 10 -12.333 -1.592 7.870 1.00 1.07 H new ATOM 0 HD1 PHE A 10 -14.444 -0.361 7.509 1.00 1.71 H new ATOM 0 HD2 PHE A 10 -14.100 -4.520 6.477 1.00 2.91 H new ATOM 0 HE1 PHE A 10 -16.874 -0.440 7.003 1.00 1.83 H new ATOM 0 HE2 PHE A 10 -16.571 -4.677 6.308 1.00 2.99 H new ATOM 0 HZ PHE A 10 -17.963 -2.623 6.498 1.00 1.46 H new ATOM 161 N SER A 11 -13.494 -1.189 4.112 1.00 1.11 N ATOM 162 CA SER A 11 -14.464 -0.276 3.529 1.00 1.62 C ATOM 163 C SER A 11 -15.516 -1.090 2.760 1.00 1.77 C ATOM 164 O SER A 11 -15.136 -2.073 2.124 1.00 2.06 O ATOM 165 CB SER A 11 -13.716 0.685 2.599 1.00 2.32 C ATOM 166 OG SER A 11 -13.141 1.741 3.359 1.00 3.64 O ATOM 0 H SER A 11 -13.495 -2.106 3.664 1.00 1.11 H new ATOM 0 HA SER A 11 -14.976 0.302 4.298 1.00 1.62 H new ATOM 0 HB2 SER A 11 -12.937 0.149 2.057 1.00 2.32 H new ATOM 0 HB3 SER A 11 -14.400 1.091 1.854 1.00 2.32 H new ATOM 0 HG SER A 11 -12.751 1.377 4.181 1.00 3.64 H new ATOM 172 N PRO A 12 -16.818 -0.733 2.826 1.00 1.87 N ATOM 173 CA PRO A 12 -17.935 -1.554 2.343 1.00 2.04 C ATOM 174 C PRO A 12 -18.199 -1.357 0.839 1.00 2.27 C ATOM 175 O PRO A 12 -19.324 -1.117 0.404 1.00 3.12 O ATOM 176 CB PRO A 12 -19.115 -1.127 3.217 1.00 2.15 C ATOM 177 CG PRO A 12 -18.864 0.372 3.346 1.00 2.23 C ATOM 178 CD PRO A 12 -17.350 0.423 3.541 1.00 1.99 C ATOM 0 HA PRO A 12 -17.734 -2.622 2.427 1.00 2.04 H new ATOM 0 HB2 PRO A 12 -20.074 -1.344 2.747 1.00 2.15 H new ATOM 0 HB3 PRO A 12 -19.113 -1.629 4.185 1.00 2.15 H new ATOM 0 HG2 PRO A 12 -19.180 0.917 2.456 1.00 2.23 H new ATOM 0 HG3 PRO A 12 -19.399 0.804 4.191 1.00 2.23 H new ATOM 0 HD2 PRO A 12 -16.936 1.351 3.147 1.00 1.99 H new ATOM 0 HD3 PRO A 12 -17.090 0.382 4.599 1.00 1.99 H new ATOM 186 N GLY A 13 -17.129 -1.422 0.050 1.00 1.70 N ATOM 187 CA GLY A 13 -17.144 -1.316 -1.413 1.00 1.75 C ATOM 188 C GLY A 13 -16.494 -2.522 -2.106 1.00 1.37 C ATOM 189 O GLY A 13 -16.083 -3.469 -1.439 1.00 1.31 O ATOM 0 H GLY A 13 -16.189 -1.555 0.424 1.00 1.70 H new ATOM 0 HA2 GLY A 13 -18.175 -1.219 -1.755 1.00 1.75 H new ATOM 0 HA3 GLY A 13 -16.622 -0.407 -1.712 1.00 1.75 H new ATOM 193 N PRO A 14 -16.367 -2.490 -3.448 1.00 1.41 N ATOM 194 CA PRO A 14 -15.657 -3.513 -4.222 1.00 1.31 C ATOM 195 C PRO A 14 -14.125 -3.417 -4.107 1.00 0.98 C ATOM 196 O PRO A 14 -13.420 -4.356 -4.476 1.00 1.03 O ATOM 197 CB PRO A 14 -16.088 -3.270 -5.670 1.00 1.57 C ATOM 198 CG PRO A 14 -16.387 -1.773 -5.721 1.00 1.75 C ATOM 199 CD PRO A 14 -16.940 -1.480 -4.328 1.00 1.77 C ATOM 0 HA PRO A 14 -15.905 -4.507 -3.850 1.00 1.31 H new ATOM 0 HB2 PRO A 14 -15.300 -3.544 -6.372 1.00 1.57 H new ATOM 0 HB3 PRO A 14 -16.966 -3.861 -5.930 1.00 1.57 H new ATOM 0 HG2 PRO A 14 -15.490 -1.190 -5.929 1.00 1.75 H new ATOM 0 HG3 PRO A 14 -17.111 -1.533 -6.500 1.00 1.75 H new ATOM 0 HD2 PRO A 14 -16.665 -0.477 -4.002 1.00 1.77 H new ATOM 0 HD3 PRO A 14 -18.029 -1.530 -4.322 1.00 1.77 H new ATOM 207 N ASN A 15 -13.619 -2.265 -3.653 1.00 0.90 N ATOM 208 CA ASN A 15 -12.215 -1.936 -3.497 1.00 0.80 C ATOM 209 C ASN A 15 -11.832 -1.544 -2.050 1.00 0.80 C ATOM 210 O ASN A 15 -12.680 -1.194 -1.227 1.00 0.95 O ATOM 211 CB ASN A 15 -11.944 -0.754 -4.439 1.00 1.07 C ATOM 212 CG ASN A 15 -12.613 0.556 -4.019 1.00 1.92 C ATOM 213 OD1 ASN A 15 -12.060 1.348 -3.271 1.00 3.37 O ATOM 214 ND2 ASN A 15 -13.811 0.824 -4.506 1.00 1.93 N ATOM 0 H ASN A 15 -14.225 -1.495 -3.369 1.00 0.90 H new ATOM 0 HA ASN A 15 -11.615 -2.815 -3.733 1.00 0.80 H new ATOM 0 HB2 ASN A 15 -10.868 -0.594 -4.501 1.00 1.07 H new ATOM 0 HB3 ASN A 15 -12.285 -1.017 -5.440 1.00 1.07 H new ATOM 0 HD21 ASN A 15 -14.279 1.696 -4.258 1.00 1.93 H new ATOM 0 HD22 ASN A 15 -14.268 0.159 -5.130 1.00 1.93 H new ATOM 221 N ALA A 16 -10.520 -1.488 -1.790 1.00 0.74 N ATOM 222 CA ALA A 16 -9.883 -1.065 -0.539 1.00 0.75 C ATOM 223 C ALA A 16 -8.511 -0.390 -0.793 1.00 0.72 C ATOM 224 O ALA A 16 -8.112 -0.173 -1.939 1.00 0.69 O ATOM 225 CB ALA A 16 -9.810 -2.281 0.399 1.00 0.84 C ATOM 0 H ALA A 16 -9.832 -1.754 -2.494 1.00 0.74 H new ATOM 0 HA ALA A 16 -10.480 -0.294 -0.052 1.00 0.75 H new ATOM 0 HB1 ALA A 16 -9.339 -1.989 1.337 1.00 0.84 H new ATOM 0 HB2 ALA A 16 -10.817 -2.648 0.597 1.00 0.84 H new ATOM 0 HB3 ALA A 16 -9.223 -3.069 -0.072 1.00 0.84 H new ATOM 231 N ALA A 17 -7.795 -0.033 0.277 1.00 0.75 N ATOM 232 CA ALA A 17 -6.444 0.548 0.277 1.00 0.75 C ATOM 233 C ALA A 17 -5.640 -0.072 1.439 1.00 0.76 C ATOM 234 O ALA A 17 -6.234 -0.431 2.458 1.00 0.83 O ATOM 235 CB ALA A 17 -6.559 2.071 0.444 1.00 0.80 C ATOM 0 H ALA A 17 -8.161 -0.147 1.222 1.00 0.75 H new ATOM 0 HA ALA A 17 -5.930 0.336 -0.661 1.00 0.75 H new ATOM 0 HB1 ALA A 17 -5.563 2.513 0.445 1.00 0.80 H new ATOM 0 HB2 ALA A 17 -7.138 2.485 -0.381 1.00 0.80 H new ATOM 0 HB3 ALA A 17 -7.058 2.297 1.387 1.00 0.80 H new ATOM 241 N ALA A 18 -4.316 -0.188 1.324 1.00 0.74 N ATOM 242 CA ALA A 18 -3.453 -0.720 2.385 1.00 0.79 C ATOM 243 C ALA A 18 -2.245 0.195 2.633 1.00 0.75 C ATOM 244 O ALA A 18 -1.631 0.710 1.695 1.00 0.70 O ATOM 245 CB ALA A 18 -3.045 -2.160 2.047 1.00 0.87 C ATOM 0 H ALA A 18 -3.806 0.087 0.485 1.00 0.74 H new ATOM 0 HA ALA A 18 -4.010 -0.744 3.322 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -2.404 -2.552 2.837 1.00 0.87 H new ATOM 0 HB2 ALA A 18 -3.937 -2.781 1.962 1.00 0.87 H new ATOM 0 HB3 ALA A 18 -2.503 -2.172 1.101 1.00 0.87 H new ATOM 251 N TYR A 19 -1.926 0.380 3.914 1.00 0.85 N ATOM 252 CA TYR A 19 -0.945 1.337 4.428 1.00 0.91 C ATOM 253 C TYR A 19 0.044 0.643 5.374 1.00 1.19 C ATOM 254 O TYR A 19 -0.384 -0.096 6.261 1.00 1.30 O ATOM 255 CB TYR A 19 -1.689 2.427 5.214 1.00 0.95 C ATOM 256 CG TYR A 19 -2.781 3.166 4.462 1.00 0.98 C ATOM 257 CD1 TYR A 19 -2.445 4.201 3.573 1.00 2.20 C ATOM 258 CD2 TYR A 19 -4.134 2.858 4.688 1.00 2.00 C ATOM 259 CE1 TYR A 19 -3.457 4.935 2.926 1.00 2.35 C ATOM 260 CE2 TYR A 19 -5.154 3.609 4.074 1.00 2.25 C ATOM 261 CZ TYR A 19 -4.814 4.657 3.188 1.00 1.63 C ATOM 262 OH TYR A 19 -5.780 5.407 2.594 1.00 2.05 O ATOM 0 H TYR A 19 -2.366 -0.160 4.659 1.00 0.85 H new ATOM 0 HA TYR A 19 -0.395 1.765 3.590 1.00 0.91 H new ATOM 0 HB2 TYR A 19 -2.131 1.970 6.099 1.00 0.95 H new ATOM 0 HB3 TYR A 19 -0.959 3.157 5.563 1.00 0.95 H new ATOM 0 HD1 TYR A 19 -1.407 4.434 3.386 1.00 2.20 H new ATOM 0 HD2 TYR A 19 -4.393 2.037 5.339 1.00 2.00 H new ATOM 0 HE1 TYR A 19 -3.193 5.714 2.226 1.00 2.35 H new ATOM 0 HE2 TYR A 19 -6.191 3.386 4.279 1.00 2.25 H new ATOM 0 HH TYR A 19 -6.662 5.088 2.877 1.00 2.05 H new ATOM 272 N LEU A 20 1.354 0.879 5.235 1.00 1.87 N ATOM 273 CA LEU A 20 2.405 0.125 5.948 1.00 2.08 C ATOM 274 C LEU A 20 3.778 0.804 5.888 1.00 1.96 C ATOM 275 O LEU A 20 4.088 1.463 4.897 1.00 1.55 O ATOM 276 CB LEU A 20 2.457 -1.331 5.414 1.00 2.13 C ATOM 277 CG LEU A 20 2.883 -1.492 3.932 1.00 1.88 C ATOM 278 CD1 LEU A 20 4.391 -1.758 3.789 1.00 2.37 C ATOM 279 CD2 LEU A 20 2.124 -2.653 3.268 1.00 2.06 C ATOM 0 H LEU A 20 1.723 1.604 4.620 1.00 1.87 H new ATOM 0 HA LEU A 20 2.139 0.107 7.005 1.00 2.08 H new ATOM 0 HB2 LEU A 20 3.148 -1.901 6.035 1.00 2.13 H new ATOM 0 HB3 LEU A 20 1.471 -1.779 5.540 1.00 2.13 H new ATOM 0 HG LEU A 20 2.641 -0.550 3.439 1.00 1.88 H new ATOM 0 HD11 LEU A 20 4.643 -1.864 2.734 1.00 2.37 H new ATOM 0 HD12 LEU A 20 4.949 -0.924 4.214 1.00 2.37 H new ATOM 0 HD13 LEU A 20 4.650 -2.675 4.318 1.00 2.37 H new ATOM 0 HD21 LEU A 20 2.439 -2.747 2.229 1.00 2.06 H new ATOM 0 HD22 LEU A 20 2.341 -3.580 3.798 1.00 2.06 H new ATOM 0 HD23 LEU A 20 1.053 -2.456 3.306 1.00 2.06 H new ATOM 291 N THR A 21 4.645 0.594 6.882 1.00 2.41 N ATOM 292 CA THR A 21 6.038 1.059 6.814 1.00 2.40 C ATOM 293 C THR A 21 6.831 0.121 5.916 1.00 2.33 C ATOM 294 O THR A 21 6.924 -1.073 6.198 1.00 2.52 O ATOM 295 CB THR A 21 6.668 1.138 8.206 1.00 2.69 C ATOM 296 OG1 THR A 21 5.868 1.975 8.998 1.00 3.06 O ATOM 297 CG2 THR A 21 8.059 1.761 8.160 1.00 3.26 C ATOM 0 H THR A 21 4.409 0.105 7.745 1.00 2.41 H new ATOM 0 HA THR A 21 6.055 2.066 6.396 1.00 2.40 H new ATOM 0 HB THR A 21 6.742 0.126 8.604 1.00 2.69 H new ATOM 0 HG1 THR A 21 5.898 1.671 9.929 1.00 3.06 H new ATOM 0 HG21 THR A 21 8.474 1.800 9.167 1.00 3.26 H new ATOM 0 HG22 THR A 21 8.707 1.158 7.524 1.00 3.26 H new ATOM 0 HG23 THR A 21 7.992 2.771 7.756 1.00 3.26 H new ATOM 305 N LEU A 22 7.423 0.648 4.837 1.00 2.28 N ATOM 306 CA LEU A 22 8.398 -0.120 4.055 1.00 2.35 C ATOM 307 C LEU A 22 9.739 -0.031 4.777 1.00 1.96 C ATOM 308 O LEU A 22 10.278 1.064 4.945 1.00 1.96 O ATOM 309 CB LEU A 22 8.495 0.381 2.599 1.00 2.78 C ATOM 310 CG LEU A 22 9.018 -0.625 1.554 1.00 2.97 C ATOM 311 CD1 LEU A 22 10.400 -1.220 1.869 1.00 3.31 C ATOM 312 CD2 LEU A 22 8.023 -1.769 1.342 1.00 2.87 C ATOM 0 H LEU A 22 7.247 1.591 4.489 1.00 2.28 H new ATOM 0 HA LEU A 22 8.080 -1.160 3.983 1.00 2.35 H new ATOM 0 HB2 LEU A 22 7.505 0.712 2.286 1.00 2.78 H new ATOM 0 HB3 LEU A 22 9.144 1.257 2.583 1.00 2.78 H new ATOM 0 HG LEU A 22 9.128 -0.036 0.644 1.00 2.97 H new ATOM 0 HD11 LEU A 22 10.685 -1.916 1.080 1.00 3.31 H new ATOM 0 HD12 LEU A 22 11.136 -0.418 1.929 1.00 3.31 H new ATOM 0 HD13 LEU A 22 10.360 -1.748 2.821 1.00 3.31 H new ATOM 0 HD21 LEU A 22 8.419 -2.463 0.600 1.00 2.87 H new ATOM 0 HD22 LEU A 22 7.867 -2.295 2.284 1.00 2.87 H new ATOM 0 HD23 LEU A 22 7.073 -1.365 0.991 1.00 2.87 H new ATOM 324 N GLU A 23 10.255 -1.185 5.189 1.00 1.78 N ATOM 325 CA GLU A 23 11.530 -1.354 5.879 1.00 1.47 C ATOM 326 C GLU A 23 12.511 -2.081 4.949 1.00 1.35 C ATOM 327 O GLU A 23 12.188 -3.152 4.429 1.00 1.49 O ATOM 328 CB GLU A 23 11.337 -2.170 7.175 1.00 1.65 C ATOM 329 CG GLU A 23 10.118 -1.726 8.000 1.00 3.03 C ATOM 330 CD GLU A 23 10.136 -2.284 9.416 1.00 3.23 C ATOM 331 OE1 GLU A 23 11.062 -1.889 10.162 1.00 3.49 O ATOM 332 OE2 GLU A 23 9.198 -3.019 9.787 1.00 4.09 O ATOM 0 H GLU A 23 9.772 -2.071 5.044 1.00 1.78 H new ATOM 0 HA GLU A 23 11.927 -0.374 6.143 1.00 1.47 H new ATOM 0 HB2 GLU A 23 11.229 -3.224 6.919 1.00 1.65 H new ATOM 0 HB3 GLU A 23 12.234 -2.081 7.788 1.00 1.65 H new ATOM 0 HG2 GLU A 23 10.090 -0.637 8.043 1.00 3.03 H new ATOM 0 HG3 GLU A 23 9.206 -2.049 7.497 1.00 3.03 H new ATOM 339 N ASN A 24 13.706 -1.526 4.727 1.00 1.19 N ATOM 340 CA ASN A 24 14.756 -2.172 3.932 1.00 1.08 C ATOM 341 C ASN A 24 15.865 -2.768 4.832 1.00 1.01 C ATOM 342 O ASN A 24 16.781 -2.043 5.227 1.00 0.95 O ATOM 343 CB ASN A 24 15.352 -1.168 2.931 1.00 0.98 C ATOM 344 CG ASN A 24 16.321 -1.852 1.971 1.00 0.92 C ATOM 345 OD1 ASN A 24 16.515 -3.066 2.002 1.00 1.38 O ATOM 346 ND2 ASN A 24 16.957 -1.097 1.099 1.00 0.95 N ATOM 0 H ASN A 24 13.974 -0.613 5.095 1.00 1.19 H new ATOM 0 HA ASN A 24 14.304 -2.997 3.381 1.00 1.08 H new ATOM 0 HB2 ASN A 24 14.549 -0.695 2.365 1.00 0.98 H new ATOM 0 HB3 ASN A 24 15.870 -0.376 3.472 1.00 0.98 H new ATOM 0 HD21 ASN A 24 17.615 -1.519 0.444 1.00 0.95 H new ATOM 0 HD22 ASN A 24 16.791 -0.091 1.079 1.00 0.95 H new ATOM 353 N PRO A 25 15.850 -4.082 5.125 1.00 1.09 N ATOM 354 CA PRO A 25 16.903 -4.735 5.905 1.00 1.08 C ATOM 355 C PRO A 25 18.195 -5.008 5.113 1.00 1.04 C ATOM 356 O PRO A 25 19.182 -5.436 5.715 1.00 1.08 O ATOM 357 CB PRO A 25 16.264 -6.043 6.385 1.00 1.26 C ATOM 358 CG PRO A 25 15.299 -6.387 5.253 1.00 1.37 C ATOM 359 CD PRO A 25 14.773 -5.018 4.840 1.00 1.28 C ATOM 0 HA PRO A 25 17.232 -4.088 6.718 1.00 1.08 H new ATOM 0 HB2 PRO A 25 17.008 -6.826 6.533 1.00 1.26 H new ATOM 0 HB3 PRO A 25 15.744 -5.914 7.334 1.00 1.26 H new ATOM 0 HG2 PRO A 25 15.803 -6.893 4.430 1.00 1.37 H new ATOM 0 HG3 PRO A 25 14.498 -7.045 5.589 1.00 1.37 H new ATOM 0 HD2 PRO A 25 14.510 -5.002 3.782 1.00 1.28 H new ATOM 0 HD3 PRO A 25 13.872 -4.760 5.397 1.00 1.28 H new ATOM 367 N GLY A 26 18.218 -4.783 3.791 1.00 1.03 N ATOM 368 CA GLY A 26 19.364 -5.046 2.935 1.00 1.06 C ATOM 369 C GLY A 26 20.396 -3.928 2.977 1.00 0.93 C ATOM 370 O GLY A 26 20.217 -2.885 3.597 1.00 1.19 O ATOM 0 H GLY A 26 17.418 -4.404 3.284 1.00 1.03 H new ATOM 0 HA2 GLY A 26 19.834 -5.981 3.241 1.00 1.06 H new ATOM 0 HA3 GLY A 26 19.023 -5.182 1.909 1.00 1.06 H new ATOM 374 N ASP A 27 21.518 -4.208 2.337 1.00 0.92 N ATOM 375 CA ASP A 27 22.747 -3.417 2.277 1.00 1.17 C ATOM 376 C ASP A 27 22.893 -2.686 0.928 1.00 1.12 C ATOM 377 O ASP A 27 23.779 -1.865 0.720 1.00 1.34 O ATOM 378 CB ASP A 27 23.875 -4.431 2.507 1.00 1.55 C ATOM 379 CG ASP A 27 23.793 -4.993 3.928 1.00 2.12 C ATOM 380 OD1 ASP A 27 23.004 -5.945 4.132 1.00 3.07 O ATOM 381 OD2 ASP A 27 24.307 -4.346 4.866 1.00 2.68 O ATOM 0 H ASP A 27 21.606 -5.069 1.797 1.00 0.92 H new ATOM 0 HA ASP A 27 22.758 -2.623 3.024 1.00 1.17 H new ATOM 0 HB2 ASP A 27 23.800 -5.241 1.782 1.00 1.55 H new ATOM 0 HB3 ASP A 27 24.842 -3.953 2.352 1.00 1.55 H new ATOM 386 N LEU A 28 21.944 -2.973 0.037 1.00 0.89 N ATOM 387 CA LEU A 28 21.695 -2.372 -1.264 1.00 0.84 C ATOM 388 C LEU A 28 20.314 -1.681 -1.259 1.00 0.78 C ATOM 389 O LEU A 28 19.486 -1.988 -0.392 1.00 0.80 O ATOM 390 CB LEU A 28 21.814 -3.476 -2.335 1.00 0.92 C ATOM 391 CG LEU A 28 20.692 -4.542 -2.365 1.00 1.50 C ATOM 392 CD1 LEU A 28 20.816 -5.359 -3.661 1.00 2.02 C ATOM 393 CD2 LEU A 28 20.692 -5.513 -1.172 1.00 2.89 C ATOM 0 H LEU A 28 21.264 -3.708 0.233 1.00 0.89 H new ATOM 0 HA LEU A 28 22.428 -1.599 -1.495 1.00 0.84 H new ATOM 0 HB2 LEU A 28 21.854 -2.997 -3.313 1.00 0.92 H new ATOM 0 HB3 LEU A 28 22.765 -3.988 -2.191 1.00 0.92 H new ATOM 0 HG LEU A 28 19.754 -3.990 -2.309 1.00 1.50 H new ATOM 0 HD11 LEU A 28 20.030 -6.113 -3.692 1.00 2.02 H new ATOM 0 HD12 LEU A 28 20.717 -4.696 -4.520 1.00 2.02 H new ATOM 0 HD13 LEU A 28 21.790 -5.848 -3.691 1.00 2.02 H new ATOM 0 HD21 LEU A 28 19.871 -6.222 -1.280 1.00 2.89 H new ATOM 0 HD22 LEU A 28 21.638 -6.054 -1.143 1.00 2.89 H new ATOM 0 HD23 LEU A 28 20.567 -4.952 -0.246 1.00 2.89 H new ATOM 405 N PRO A 29 20.018 -0.771 -2.205 1.00 0.78 N ATOM 406 CA PRO A 29 18.737 -0.085 -2.244 1.00 0.76 C ATOM 407 C PRO A 29 17.653 -1.027 -2.791 1.00 0.72 C ATOM 408 O PRO A 29 17.905 -1.831 -3.688 1.00 0.79 O ATOM 409 CB PRO A 29 18.959 1.150 -3.116 1.00 0.79 C ATOM 410 CG PRO A 29 20.074 0.724 -4.074 1.00 0.84 C ATOM 411 CD PRO A 29 20.861 -0.351 -3.315 1.00 0.83 C ATOM 0 HA PRO A 29 18.385 0.218 -1.258 1.00 0.76 H new ATOM 0 HB2 PRO A 29 18.053 1.428 -3.655 1.00 0.79 H new ATOM 0 HB3 PRO A 29 19.252 2.014 -2.519 1.00 0.79 H new ATOM 0 HG2 PRO A 29 19.666 0.331 -5.005 1.00 0.84 H new ATOM 0 HG3 PRO A 29 20.712 1.568 -4.337 1.00 0.84 H new ATOM 0 HD2 PRO A 29 21.094 -1.194 -3.966 1.00 0.83 H new ATOM 0 HD3 PRO A 29 21.810 0.045 -2.954 1.00 0.83 H new ATOM 419 N LEU A 30 16.446 -0.926 -2.228 1.00 0.66 N ATOM 420 CA LEU A 30 15.264 -1.694 -2.627 1.00 0.62 C ATOM 421 C LEU A 30 14.278 -0.830 -3.399 1.00 0.53 C ATOM 422 O LEU A 30 14.224 0.390 -3.254 1.00 0.54 O ATOM 423 CB LEU A 30 14.567 -2.298 -1.393 1.00 0.72 C ATOM 424 CG LEU A 30 14.988 -3.732 -1.033 1.00 0.64 C ATOM 425 CD1 LEU A 30 14.218 -4.783 -1.833 1.00 2.07 C ATOM 426 CD2 LEU A 30 16.487 -4.014 -1.146 1.00 2.30 C ATOM 0 H LEU A 30 16.259 -0.286 -1.456 1.00 0.66 H new ATOM 0 HA LEU A 30 15.602 -2.500 -3.278 1.00 0.62 H new ATOM 0 HB2 LEU A 30 14.762 -1.654 -0.535 1.00 0.72 H new ATOM 0 HB3 LEU A 30 13.490 -2.285 -1.563 1.00 0.72 H new ATOM 0 HG LEU A 30 14.731 -3.810 0.023 1.00 0.64 H new ATOM 0 HD11 LEU A 30 14.552 -5.779 -1.542 1.00 2.07 H new ATOM 0 HD12 LEU A 30 13.151 -4.685 -1.631 1.00 2.07 H new ATOM 0 HD13 LEU A 30 14.401 -4.636 -2.897 1.00 2.07 H new ATOM 0 HD21 LEU A 30 16.684 -5.050 -0.872 1.00 2.30 H new ATOM 0 HD22 LEU A 30 16.813 -3.842 -2.172 1.00 2.30 H new ATOM 0 HD23 LEU A 30 17.034 -3.351 -0.475 1.00 2.30 H new ATOM 438 N ARG A 31 13.440 -1.517 -4.170 1.00 0.55 N ATOM 439 CA ARG A 31 12.525 -0.910 -5.150 1.00 0.49 C ATOM 440 C ARG A 31 11.257 -1.737 -5.314 1.00 0.48 C ATOM 441 O ARG A 31 11.298 -2.824 -5.888 1.00 0.56 O ATOM 442 CB ARG A 31 13.226 -0.753 -6.505 1.00 0.52 C ATOM 443 CG ARG A 31 12.406 0.090 -7.505 1.00 0.55 C ATOM 444 CD ARG A 31 13.226 1.167 -8.236 1.00 0.71 C ATOM 445 NE ARG A 31 14.348 0.595 -9.009 1.00 1.32 N ATOM 446 CZ ARG A 31 15.613 1.008 -8.997 1.00 1.36 C ATOM 447 NH1 ARG A 31 16.027 2.068 -8.346 1.00 1.90 N ATOM 448 NH2 ARG A 31 16.524 0.336 -9.668 1.00 2.59 N ATOM 0 H ARG A 31 13.372 -2.534 -4.135 1.00 0.55 H new ATOM 0 HA ARG A 31 12.241 0.073 -4.775 1.00 0.49 H new ATOM 0 HB2 ARG A 31 14.199 -0.286 -6.354 1.00 0.52 H new ATOM 0 HB3 ARG A 31 13.409 -1.739 -6.932 1.00 0.52 H new ATOM 0 HG2 ARG A 31 11.959 -0.575 -8.244 1.00 0.55 H new ATOM 0 HG3 ARG A 31 11.586 0.572 -6.972 1.00 0.55 H new ATOM 0 HD2 ARG A 31 12.572 1.723 -8.908 1.00 0.71 H new ATOM 0 HD3 ARG A 31 13.616 1.879 -7.508 1.00 0.71 H new ATOM 0 HE ARG A 31 14.131 -0.197 -9.614 1.00 1.32 H new ATOM 0 HH11 ARG A 31 15.365 2.628 -7.809 1.00 1.90 H new ATOM 0 HH12 ARG A 31 17.012 2.333 -8.376 1.00 1.90 H new ATOM 0 HH21 ARG A 31 16.259 -0.497 -10.194 1.00 2.59 H new ATOM 0 HH22 ARG A 31 17.495 0.648 -9.662 1.00 2.59 H new ATOM 462 N LEU A 32 10.148 -1.238 -4.792 1.00 0.43 N ATOM 463 CA LEU A 32 8.838 -1.880 -4.731 1.00 0.43 C ATOM 464 C LEU A 32 8.041 -1.518 -5.981 1.00 0.44 C ATOM 465 O LEU A 32 7.641 -0.369 -6.117 1.00 0.46 O ATOM 466 CB LEU A 32 8.195 -1.349 -3.443 1.00 0.44 C ATOM 467 CG LEU A 32 6.792 -1.885 -3.104 1.00 0.54 C ATOM 468 CD1 LEU A 32 6.845 -3.387 -2.799 1.00 1.54 C ATOM 469 CD2 LEU A 32 6.291 -1.084 -1.891 1.00 1.84 C ATOM 0 H LEU A 32 10.135 -0.310 -4.370 1.00 0.43 H new ATOM 0 HA LEU A 32 8.885 -2.969 -4.708 1.00 0.43 H new ATOM 0 HB2 LEU A 32 8.859 -1.580 -2.610 1.00 0.44 H new ATOM 0 HB3 LEU A 32 8.137 -0.263 -3.513 1.00 0.44 H new ATOM 0 HG LEU A 32 6.111 -1.764 -3.947 1.00 0.54 H new ATOM 0 HD11 LEU A 32 5.843 -3.746 -2.562 1.00 1.54 H new ATOM 0 HD12 LEU A 32 7.225 -3.922 -3.669 1.00 1.54 H new ATOM 0 HD13 LEU A 32 7.504 -3.563 -1.949 1.00 1.54 H new ATOM 0 HD21 LEU A 32 5.296 -1.430 -1.613 1.00 1.84 H new ATOM 0 HD22 LEU A 32 6.973 -1.228 -1.053 1.00 1.84 H new ATOM 0 HD23 LEU A 32 6.249 -0.025 -2.146 1.00 1.84 H new ATOM 481 N VAL A 33 7.823 -2.476 -6.880 1.00 0.48 N ATOM 482 CA VAL A 33 7.233 -2.250 -8.216 1.00 0.51 C ATOM 483 C VAL A 33 5.781 -2.765 -8.308 1.00 0.50 C ATOM 484 O VAL A 33 5.049 -2.403 -9.227 1.00 0.56 O ATOM 485 CB VAL A 33 8.095 -2.912 -9.323 1.00 0.61 C ATOM 486 CG1 VAL A 33 9.507 -2.296 -9.372 1.00 0.57 C ATOM 487 CG2 VAL A 33 8.248 -4.436 -9.158 1.00 0.70 C ATOM 0 H VAL A 33 8.053 -3.454 -6.705 1.00 0.48 H new ATOM 0 HA VAL A 33 7.216 -1.171 -8.371 1.00 0.51 H new ATOM 0 HB VAL A 33 7.555 -2.721 -10.250 1.00 0.61 H new ATOM 0 HG11 VAL A 33 10.088 -2.780 -10.157 1.00 0.57 H new ATOM 0 HG12 VAL A 33 9.431 -1.229 -9.582 1.00 0.57 H new ATOM 0 HG13 VAL A 33 10.002 -2.443 -8.412 1.00 0.57 H new ATOM 0 HG21 VAL A 33 8.863 -4.830 -9.968 1.00 0.70 H new ATOM 0 HG22 VAL A 33 8.725 -4.652 -8.202 1.00 0.70 H new ATOM 0 HG23 VAL A 33 7.265 -4.906 -9.188 1.00 0.70 H new ATOM 497 N GLY A 34 5.374 -3.639 -7.372 1.00 0.45 N ATOM 498 CA GLY A 34 4.047 -4.251 -7.289 1.00 0.45 C ATOM 499 C GLY A 34 3.705 -4.751 -5.888 1.00 0.44 C ATOM 500 O GLY A 34 4.485 -4.619 -4.941 1.00 0.44 O ATOM 0 H GLY A 34 5.992 -3.949 -6.622 1.00 0.45 H new ATOM 0 HA2 GLY A 34 3.298 -3.524 -7.602 1.00 0.45 H new ATOM 0 HA3 GLY A 34 3.994 -5.085 -7.989 1.00 0.45 H new ATOM 504 N ALA A 35 2.550 -5.399 -5.790 1.00 0.47 N ATOM 505 CA ALA A 35 2.111 -6.179 -4.639 1.00 0.48 C ATOM 506 C ALA A 35 1.235 -7.361 -5.083 1.00 0.50 C ATOM 507 O ALA A 35 1.051 -7.611 -6.274 1.00 0.52 O ATOM 508 CB ALA A 35 1.411 -5.257 -3.631 1.00 0.49 C ATOM 0 H ALA A 35 1.863 -5.395 -6.544 1.00 0.47 H new ATOM 0 HA ALA A 35 2.974 -6.615 -4.137 1.00 0.48 H new ATOM 0 HB1 ALA A 35 1.083 -5.841 -2.771 1.00 0.49 H new ATOM 0 HB2 ALA A 35 2.105 -4.484 -3.302 1.00 0.49 H new ATOM 0 HB3 ALA A 35 0.547 -4.791 -4.104 1.00 0.49 H new ATOM 514 N ARG A 36 0.728 -8.102 -4.100 1.00 0.55 N ATOM 515 CA ARG A 36 -0.284 -9.144 -4.183 1.00 0.60 C ATOM 516 C ARG A 36 -0.926 -9.302 -2.794 1.00 0.66 C ATOM 517 O ARG A 36 -0.482 -8.701 -1.814 1.00 0.78 O ATOM 518 CB ARG A 36 0.389 -10.436 -4.696 1.00 0.69 C ATOM 519 CG ARG A 36 -0.367 -11.143 -5.805 1.00 1.20 C ATOM 520 CD ARG A 36 -1.243 -12.309 -5.305 1.00 2.37 C ATOM 521 NE ARG A 36 -0.651 -13.606 -5.676 1.00 2.64 N ATOM 522 CZ ARG A 36 0.314 -14.265 -5.040 1.00 3.60 C ATOM 523 NH1 ARG A 36 0.778 -13.941 -3.847 1.00 4.36 N ATOM 524 NH2 ARG A 36 0.864 -15.305 -5.630 1.00 4.59 N ATOM 0 H ARG A 36 1.046 -7.974 -3.140 1.00 0.55 H new ATOM 0 HA ARG A 36 -1.081 -8.895 -4.884 1.00 0.60 H new ATOM 0 HB2 ARG A 36 1.389 -10.192 -5.054 1.00 0.69 H new ATOM 0 HB3 ARG A 36 0.509 -11.124 -3.860 1.00 0.69 H new ATOM 0 HG2 ARG A 36 -0.998 -10.420 -6.322 1.00 1.20 H new ATOM 0 HG3 ARG A 36 0.347 -11.523 -6.536 1.00 1.20 H new ATOM 0 HD2 ARG A 36 -1.351 -12.250 -4.222 1.00 2.37 H new ATOM 0 HD3 ARG A 36 -2.243 -12.226 -5.730 1.00 2.37 H new ATOM 0 HE ARG A 36 -1.023 -14.049 -6.516 1.00 2.64 H new ATOM 0 HH11 ARG A 36 0.393 -13.137 -3.351 1.00 4.36 H new ATOM 0 HH12 ARG A 36 1.521 -14.495 -3.421 1.00 4.36 H new ATOM 0 HH21 ARG A 36 0.549 -15.591 -6.557 1.00 4.59 H new ATOM 0 HH22 ARG A 36 1.606 -15.825 -5.160 1.00 4.59 H new ATOM 538 N THR A 37 -1.938 -10.157 -2.698 1.00 0.65 N ATOM 539 CA THR A 37 -2.555 -10.668 -1.464 1.00 0.70 C ATOM 540 C THR A 37 -3.478 -11.816 -1.861 1.00 0.75 C ATOM 541 O THR A 37 -3.894 -11.853 -3.021 1.00 0.75 O ATOM 542 CB THR A 37 -3.270 -9.565 -0.653 1.00 0.86 C ATOM 543 OG1 THR A 37 -4.253 -10.099 0.199 1.00 0.84 O ATOM 544 CG2 THR A 37 -3.955 -8.488 -1.491 1.00 0.97 C ATOM 0 H THR A 37 -2.384 -10.541 -3.531 1.00 0.65 H new ATOM 0 HA THR A 37 -1.786 -11.034 -0.784 1.00 0.70 H new ATOM 0 HB THR A 37 -2.455 -9.103 -0.096 1.00 0.86 H new ATOM 0 HG1 THR A 37 -3.903 -10.146 1.113 1.00 0.84 H new ATOM 0 HG21 THR A 37 -4.428 -7.760 -0.832 1.00 0.97 H new ATOM 0 HG22 THR A 37 -3.215 -7.986 -2.114 1.00 0.97 H new ATOM 0 HG23 THR A 37 -4.712 -8.948 -2.126 1.00 0.97 H new ATOM 552 N PRO A 38 -3.846 -12.728 -0.944 1.00 0.82 N ATOM 553 CA PRO A 38 -4.931 -13.676 -1.169 1.00 0.86 C ATOM 554 C PRO A 38 -6.315 -13.047 -1.373 1.00 0.78 C ATOM 555 O PRO A 38 -7.233 -13.770 -1.744 1.00 0.88 O ATOM 556 CB PRO A 38 -4.910 -14.588 0.055 1.00 0.94 C ATOM 557 CG PRO A 38 -4.226 -13.774 1.152 1.00 0.94 C ATOM 558 CD PRO A 38 -3.231 -12.940 0.358 1.00 0.92 C ATOM 0 HA PRO A 38 -4.766 -14.204 -2.108 1.00 0.86 H new ATOM 0 HB2 PRO A 38 -5.920 -14.875 0.349 1.00 0.94 H new ATOM 0 HB3 PRO A 38 -4.364 -15.509 -0.150 1.00 0.94 H new ATOM 0 HG2 PRO A 38 -4.934 -13.152 1.699 1.00 0.94 H new ATOM 0 HG3 PRO A 38 -3.730 -14.412 1.884 1.00 0.94 H new ATOM 0 HD2 PRO A 38 -3.030 -11.991 0.855 1.00 0.92 H new ATOM 0 HD3 PRO A 38 -2.276 -13.457 0.261 1.00 0.92 H new ATOM 566 N VAL A 39 -6.481 -11.741 -1.143 1.00 0.67 N ATOM 567 CA VAL A 39 -7.782 -11.041 -1.289 1.00 0.63 C ATOM 568 C VAL A 39 -7.712 -9.693 -2.037 1.00 0.71 C ATOM 569 O VAL A 39 -8.413 -8.747 -1.694 1.00 0.73 O ATOM 570 CB VAL A 39 -8.539 -10.918 0.061 1.00 0.72 C ATOM 571 CG1 VAL A 39 -8.887 -12.294 0.655 1.00 0.88 C ATOM 572 CG2 VAL A 39 -7.759 -10.108 1.106 1.00 0.89 C ATOM 0 H VAL A 39 -5.720 -11.128 -0.849 1.00 0.67 H new ATOM 0 HA VAL A 39 -8.367 -11.690 -1.940 1.00 0.63 H new ATOM 0 HB VAL A 39 -9.460 -10.384 -0.175 1.00 0.72 H new ATOM 0 HG11 VAL A 39 -9.416 -12.160 1.599 1.00 0.88 H new ATOM 0 HG12 VAL A 39 -9.522 -12.841 -0.042 1.00 0.88 H new ATOM 0 HG13 VAL A 39 -7.970 -12.857 0.830 1.00 0.88 H new ATOM 0 HG21 VAL A 39 -8.336 -10.055 2.029 1.00 0.89 H new ATOM 0 HG22 VAL A 39 -6.803 -10.593 1.303 1.00 0.89 H new ATOM 0 HG23 VAL A 39 -7.584 -9.100 0.729 1.00 0.89 H new ATOM 582 N ALA A 40 -6.930 -9.622 -3.120 1.00 0.95 N ATOM 583 CA ALA A 40 -7.014 -8.584 -4.167 1.00 1.10 C ATOM 584 C ALA A 40 -6.222 -9.022 -5.412 1.00 1.63 C ATOM 585 O ALA A 40 -5.232 -9.744 -5.300 1.00 2.07 O ATOM 586 CB ALA A 40 -6.510 -7.218 -3.667 1.00 1.21 C ATOM 0 H ALA A 40 -6.195 -10.306 -3.303 1.00 0.95 H new ATOM 0 HA ALA A 40 -8.065 -8.467 -4.430 1.00 1.10 H new ATOM 0 HB1 ALA A 40 -6.590 -6.485 -4.470 1.00 1.21 H new ATOM 0 HB2 ALA A 40 -7.114 -6.895 -2.819 1.00 1.21 H new ATOM 0 HB3 ALA A 40 -5.468 -7.305 -3.358 1.00 1.21 H new ATOM 592 N GLU A 41 -6.658 -8.576 -6.593 1.00 1.67 N ATOM 593 CA GLU A 41 -6.119 -8.987 -7.895 1.00 1.92 C ATOM 594 C GLU A 41 -5.632 -7.779 -8.705 1.00 1.60 C ATOM 595 O GLU A 41 -4.447 -7.636 -9.006 1.00 2.30 O ATOM 596 CB GLU A 41 -7.225 -9.724 -8.636 1.00 2.03 C ATOM 597 CG GLU A 41 -6.835 -10.222 -10.031 1.00 2.38 C ATOM 598 CD GLU A 41 -7.845 -11.289 -10.409 1.00 2.31 C ATOM 599 OE1 GLU A 41 -9.034 -10.931 -10.556 1.00 2.46 O ATOM 600 OE2 GLU A 41 -7.544 -12.487 -10.232 1.00 3.38 O ATOM 0 H GLU A 41 -7.417 -7.900 -6.674 1.00 1.67 H new ATOM 0 HA GLU A 41 -5.255 -9.636 -7.752 1.00 1.92 H new ATOM 0 HB2 GLU A 41 -7.541 -10.577 -8.035 1.00 2.03 H new ATOM 0 HB3 GLU A 41 -8.086 -9.062 -8.728 1.00 2.03 H new ATOM 0 HG2 GLU A 41 -6.847 -9.404 -10.752 1.00 2.38 H new ATOM 0 HG3 GLU A 41 -5.824 -10.629 -10.028 1.00 2.38 H new ATOM 607 N ARG A 42 -6.529 -6.828 -8.980 1.00 0.85 N ATOM 608 CA ARG A 42 -6.160 -5.522 -9.523 1.00 1.03 C ATOM 609 C ARG A 42 -5.614 -4.649 -8.392 1.00 1.14 C ATOM 610 O ARG A 42 -6.230 -3.673 -7.970 1.00 1.97 O ATOM 611 CB ARG A 42 -7.341 -4.905 -10.292 1.00 1.11 C ATOM 612 CG ARG A 42 -7.401 -5.398 -11.747 1.00 1.29 C ATOM 613 CD ARG A 42 -6.271 -4.788 -12.588 1.00 2.09 C ATOM 614 NE ARG A 42 -6.376 -5.168 -14.005 1.00 2.86 N ATOM 615 CZ ARG A 42 -5.689 -4.617 -15.002 1.00 3.95 C ATOM 616 NH1 ARG A 42 -4.818 -3.645 -14.806 1.00 4.57 N ATOM 617 NH2 ARG A 42 -5.880 -5.046 -16.232 1.00 4.93 N ATOM 0 H ARG A 42 -7.531 -6.944 -8.832 1.00 0.85 H new ATOM 0 HA ARG A 42 -5.361 -5.616 -10.259 1.00 1.03 H new ATOM 0 HB2 ARG A 42 -8.273 -5.155 -9.786 1.00 1.11 H new ATOM 0 HB3 ARG A 42 -7.253 -3.819 -10.281 1.00 1.11 H new ATOM 0 HG2 ARG A 42 -7.327 -6.485 -11.768 1.00 1.29 H new ATOM 0 HG3 ARG A 42 -8.365 -5.135 -12.183 1.00 1.29 H new ATOM 0 HD2 ARG A 42 -6.299 -3.702 -12.500 1.00 2.09 H new ATOM 0 HD3 ARG A 42 -5.308 -5.115 -12.195 1.00 2.09 H new ATOM 0 HE ARG A 42 -7.029 -5.915 -14.243 1.00 2.86 H new ATOM 0 HH11 ARG A 42 -4.652 -3.291 -13.864 1.00 4.57 H new ATOM 0 HH12 ARG A 42 -4.310 -3.248 -15.597 1.00 4.57 H new ATOM 0 HH21 ARG A 42 -6.550 -5.794 -16.413 1.00 4.93 H new ATOM 0 HH22 ARG A 42 -5.358 -4.630 -17.004 1.00 4.93 H new ATOM 631 N VAL A 43 -4.447 -5.040 -7.893 1.00 0.65 N ATOM 632 CA VAL A 43 -3.638 -4.227 -6.983 1.00 0.56 C ATOM 633 C VAL A 43 -2.904 -3.158 -7.795 1.00 0.68 C ATOM 634 O VAL A 43 -2.639 -3.342 -8.986 1.00 1.11 O ATOM 635 CB VAL A 43 -2.691 -5.094 -6.130 1.00 0.56 C ATOM 636 CG1 VAL A 43 -1.503 -5.661 -6.921 1.00 0.76 C ATOM 637 CG2 VAL A 43 -2.190 -4.361 -4.874 1.00 0.62 C ATOM 0 H VAL A 43 -4.027 -5.944 -8.111 1.00 0.65 H new ATOM 0 HA VAL A 43 -4.287 -3.725 -6.265 1.00 0.56 H new ATOM 0 HB VAL A 43 -3.302 -5.939 -5.812 1.00 0.56 H new ATOM 0 HG11 VAL A 43 -0.878 -6.261 -6.259 1.00 0.76 H new ATOM 0 HG12 VAL A 43 -1.872 -6.285 -7.735 1.00 0.76 H new ATOM 0 HG13 VAL A 43 -0.914 -4.841 -7.331 1.00 0.76 H new ATOM 0 HG21 VAL A 43 -1.527 -5.017 -4.310 1.00 0.62 H new ATOM 0 HG22 VAL A 43 -1.647 -3.463 -5.169 1.00 0.62 H new ATOM 0 HG23 VAL A 43 -3.040 -4.083 -4.252 1.00 0.62 H new ATOM 647 N GLU A 44 -2.647 -2.029 -7.152 1.00 0.66 N ATOM 648 CA GLU A 44 -2.259 -0.750 -7.740 1.00 0.63 C ATOM 649 C GLU A 44 -1.506 0.035 -6.654 1.00 0.65 C ATOM 650 O GLU A 44 -1.720 -0.249 -5.471 1.00 0.95 O ATOM 651 CB GLU A 44 -3.558 -0.033 -8.173 1.00 0.84 C ATOM 652 CG GLU A 44 -3.560 0.411 -9.638 1.00 1.45 C ATOM 653 CD GLU A 44 -3.001 1.818 -9.758 1.00 3.20 C ATOM 654 OE1 GLU A 44 -1.798 1.982 -9.469 1.00 4.75 O ATOM 655 OE2 GLU A 44 -3.805 2.728 -10.061 1.00 3.78 O ATOM 0 H GLU A 44 -2.707 -1.976 -6.135 1.00 0.66 H new ATOM 0 HA GLU A 44 -1.612 -0.854 -8.611 1.00 0.63 H new ATOM 0 HB2 GLU A 44 -4.404 -0.700 -8.004 1.00 0.84 H new ATOM 0 HB3 GLU A 44 -3.709 0.840 -7.538 1.00 0.84 H new ATOM 0 HG2 GLU A 44 -2.963 -0.278 -10.236 1.00 1.45 H new ATOM 0 HG3 GLU A 44 -4.575 0.380 -10.034 1.00 1.45 H new ATOM 662 N LEU A 45 -0.671 1.024 -6.997 1.00 0.76 N ATOM 663 CA LEU A 45 -0.089 1.900 -5.971 1.00 0.89 C ATOM 664 C LEU A 45 -0.135 3.372 -6.317 1.00 0.74 C ATOM 665 O LEU A 45 0.253 3.834 -7.384 1.00 0.75 O ATOM 666 CB LEU A 45 1.305 1.500 -5.470 1.00 1.46 C ATOM 667 CG LEU A 45 2.532 1.879 -6.312 1.00 0.50 C ATOM 668 CD1 LEU A 45 3.789 1.680 -5.456 1.00 1.40 C ATOM 669 CD2 LEU A 45 2.628 1.020 -7.581 1.00 1.75 C ATOM 0 H LEU A 45 -0.388 1.235 -7.954 1.00 0.76 H new ATOM 0 HA LEU A 45 -0.764 1.737 -5.130 1.00 0.89 H new ATOM 0 HB2 LEU A 45 1.437 1.936 -4.480 1.00 1.46 H new ATOM 0 HB3 LEU A 45 1.312 0.417 -5.345 1.00 1.46 H new ATOM 0 HG LEU A 45 2.440 2.920 -6.623 1.00 0.50 H new ATOM 0 HD11 LEU A 45 4.671 1.945 -6.038 1.00 1.40 H new ATOM 0 HD12 LEU A 45 3.733 2.317 -4.573 1.00 1.40 H new ATOM 0 HD13 LEU A 45 3.858 0.637 -5.147 1.00 1.40 H new ATOM 0 HD21 LEU A 45 3.507 1.314 -8.154 1.00 1.75 H new ATOM 0 HD22 LEU A 45 2.711 -0.031 -7.304 1.00 1.75 H new ATOM 0 HD23 LEU A 45 1.734 1.166 -8.188 1.00 1.75 H new ATOM 681 N HIS A 46 -0.569 4.118 -5.317 1.00 0.76 N ATOM 682 CA HIS A 46 -0.887 5.521 -5.407 1.00 0.71 C ATOM 683 C HIS A 46 -0.032 6.340 -4.455 1.00 0.67 C ATOM 684 O HIS A 46 0.330 5.895 -3.370 1.00 0.70 O ATOM 685 CB HIS A 46 -2.362 5.675 -5.037 1.00 0.77 C ATOM 686 CG HIS A 46 -3.366 5.020 -5.947 1.00 0.72 C ATOM 687 ND1 HIS A 46 -4.693 4.807 -5.618 1.00 0.66 N ATOM 688 CD2 HIS A 46 -3.160 4.507 -7.194 1.00 0.76 C ATOM 689 CE1 HIS A 46 -5.262 4.181 -6.653 1.00 0.67 C ATOM 690 NE2 HIS A 46 -4.356 3.991 -7.630 1.00 0.73 N ATOM 0 H HIS A 46 -0.714 3.740 -4.381 1.00 0.76 H new ATOM 0 HA HIS A 46 -0.690 5.883 -6.416 1.00 0.71 H new ATOM 0 HB2 HIS A 46 -2.503 5.275 -4.033 1.00 0.77 H new ATOM 0 HB3 HIS A 46 -2.590 6.740 -4.991 1.00 0.77 H new ATOM 0 HD2 HIS A 46 -2.227 4.507 -7.739 1.00 0.76 H new ATOM 0 HE1 HIS A 46 -6.296 3.873 -6.699 1.00 0.67 H new ATOM 0 HE2 HIS A 46 -4.527 3.545 -8.531 1.00 0.73 H new ATOM 698 N GLU A 47 0.230 7.563 -4.876 1.00 0.69 N ATOM 699 CA GLU A 47 0.565 8.671 -4.000 1.00 0.73 C ATOM 700 C GLU A 47 -0.709 9.343 -3.455 1.00 0.74 C ATOM 701 O GLU A 47 -1.836 8.890 -3.695 1.00 0.82 O ATOM 702 CB GLU A 47 1.566 9.578 -4.732 1.00 0.76 C ATOM 703 CG GLU A 47 1.107 10.343 -5.979 1.00 0.90 C ATOM 704 CD GLU A 47 0.109 11.440 -5.661 1.00 1.52 C ATOM 705 OE1 GLU A 47 0.576 12.495 -5.191 1.00 2.43 O ATOM 706 OE2 GLU A 47 -1.103 11.205 -5.867 1.00 2.90 O ATOM 0 H GLU A 47 0.215 7.821 -5.863 1.00 0.69 H new ATOM 0 HA GLU A 47 1.073 8.342 -3.093 1.00 0.73 H new ATOM 0 HB2 GLU A 47 1.931 10.311 -4.013 1.00 0.76 H new ATOM 0 HB3 GLU A 47 2.418 8.962 -5.020 1.00 0.76 H new ATOM 0 HG2 GLU A 47 1.976 10.780 -6.472 1.00 0.90 H new ATOM 0 HG3 GLU A 47 0.659 9.643 -6.684 1.00 0.90 H new ATOM 713 N THR A 48 -0.533 10.394 -2.652 1.00 0.92 N ATOM 714 CA THR A 48 -1.612 11.271 -2.162 1.00 0.82 C ATOM 715 C THR A 48 -1.025 12.641 -1.875 1.00 0.80 C ATOM 716 O THR A 48 0.054 12.731 -1.286 1.00 0.88 O ATOM 717 CB THR A 48 -2.264 10.684 -0.907 1.00 0.81 C ATOM 718 OG1 THR A 48 -3.036 9.609 -1.372 1.00 0.91 O ATOM 719 CG2 THR A 48 -3.217 11.616 -0.162 1.00 0.89 C ATOM 0 H THR A 48 0.388 10.671 -2.312 1.00 0.92 H new ATOM 0 HA THR A 48 -2.390 11.356 -2.921 1.00 0.82 H new ATOM 0 HB THR A 48 -1.468 10.442 -0.202 1.00 0.81 H new ATOM 0 HG1 THR A 48 -2.749 9.367 -2.277 1.00 0.91 H new ATOM 0 HG21 THR A 48 -3.622 11.101 0.709 1.00 0.89 H new ATOM 0 HG22 THR A 48 -2.677 12.506 0.161 1.00 0.89 H new ATOM 0 HG23 THR A 48 -4.033 11.907 -0.824 1.00 0.89 H new ATOM 727 N PHE A 49 -1.756 13.694 -2.244 1.00 0.75 N ATOM 728 CA PHE A 49 -1.287 15.079 -2.211 1.00 0.80 C ATOM 729 C PHE A 49 -2.392 16.087 -1.913 1.00 0.71 C ATOM 730 O PHE A 49 -3.589 15.831 -2.063 1.00 0.67 O ATOM 731 CB PHE A 49 -0.611 15.447 -3.543 1.00 0.92 C ATOM 732 CG PHE A 49 -1.512 15.457 -4.774 1.00 0.92 C ATOM 733 CD1 PHE A 49 -1.963 14.253 -5.341 1.00 1.44 C ATOM 734 CD2 PHE A 49 -1.863 16.671 -5.396 1.00 2.28 C ATOM 735 CE1 PHE A 49 -2.721 14.248 -6.518 1.00 1.52 C ATOM 736 CE2 PHE A 49 -2.642 16.670 -6.568 1.00 2.28 C ATOM 737 CZ PHE A 49 -3.065 15.456 -7.138 1.00 1.03 C ATOM 0 H PHE A 49 -2.714 13.604 -2.582 1.00 0.75 H new ATOM 0 HA PHE A 49 -0.571 15.134 -1.391 1.00 0.80 H new ATOM 0 HB2 PHE A 49 -0.162 16.435 -3.438 1.00 0.92 H new ATOM 0 HB3 PHE A 49 0.203 14.744 -3.720 1.00 0.92 H new ATOM 0 HD1 PHE A 49 -1.721 13.316 -4.861 1.00 1.44 H new ATOM 0 HD2 PHE A 49 -1.533 17.607 -4.971 1.00 2.28 H new ATOM 0 HE1 PHE A 49 -3.041 13.311 -6.949 1.00 1.52 H new ATOM 0 HE2 PHE A 49 -2.916 17.606 -7.032 1.00 2.28 H new ATOM 0 HZ PHE A 49 -3.650 15.455 -8.046 1.00 1.03 H new ATOM 747 N MET A 50 -1.954 17.292 -1.554 1.00 0.82 N ATOM 748 CA MET A 50 -2.788 18.472 -1.376 1.00 0.82 C ATOM 749 C MET A 50 -2.747 19.332 -2.645 1.00 0.82 C ATOM 750 O MET A 50 -1.686 19.523 -3.233 1.00 0.94 O ATOM 751 CB MET A 50 -2.287 19.235 -0.143 1.00 0.97 C ATOM 752 CG MET A 50 -3.263 20.357 0.190 1.00 2.27 C ATOM 753 SD MET A 50 -2.892 21.262 1.712 1.00 2.63 S ATOM 754 CE MET A 50 -3.609 20.124 2.925 1.00 3.89 C ATOM 0 H MET A 50 -0.968 17.477 -1.373 1.00 0.82 H new ATOM 0 HA MET A 50 -3.829 18.194 -1.212 1.00 0.82 H new ATOM 0 HB2 MET A 50 -2.193 18.556 0.705 1.00 0.97 H new ATOM 0 HB3 MET A 50 -1.295 19.646 -0.334 1.00 0.97 H new ATOM 0 HG2 MET A 50 -3.280 21.063 -0.640 1.00 2.27 H new ATOM 0 HG3 MET A 50 -4.265 19.935 0.270 1.00 2.27 H new ATOM 0 HE1 MET A 50 -3.470 20.527 3.928 1.00 3.89 H new ATOM 0 HE2 MET A 50 -4.674 20.004 2.726 1.00 3.89 H new ATOM 0 HE3 MET A 50 -3.115 19.155 2.851 1.00 3.89 H new ATOM 764 N ARG A 51 -3.901 19.870 -3.052 1.00 0.79 N ATOM 765 CA ARG A 51 -4.055 20.671 -4.274 1.00 0.78 C ATOM 766 C ARG A 51 -5.140 21.750 -4.192 1.00 0.98 C ATOM 767 O ARG A 51 -6.070 21.697 -3.381 1.00 1.05 O ATOM 768 CB ARG A 51 -4.318 19.747 -5.478 1.00 0.73 C ATOM 769 CG ARG A 51 -5.487 18.775 -5.250 1.00 2.53 C ATOM 770 CD ARG A 51 -6.086 18.227 -6.548 1.00 3.10 C ATOM 771 NE ARG A 51 -7.230 17.355 -6.232 1.00 5.41 N ATOM 772 CZ ARG A 51 -8.366 17.209 -6.901 1.00 6.80 C ATOM 773 NH1 ARG A 51 -8.578 17.763 -8.076 1.00 6.42 N ATOM 774 NH2 ARG A 51 -9.313 16.477 -6.360 1.00 8.90 N ATOM 0 H ARG A 51 -4.772 19.760 -2.532 1.00 0.79 H new ATOM 0 HA ARG A 51 -3.114 21.207 -4.400 1.00 0.78 H new ATOM 0 HB2 ARG A 51 -4.527 20.357 -6.357 1.00 0.73 H new ATOM 0 HB3 ARG A 51 -3.415 19.175 -5.693 1.00 0.73 H new ATOM 0 HG2 ARG A 51 -5.142 17.942 -4.638 1.00 2.53 H new ATOM 0 HG3 ARG A 51 -6.268 19.284 -4.685 1.00 2.53 H new ATOM 0 HD2 ARG A 51 -6.407 19.049 -7.188 1.00 3.10 H new ATOM 0 HD3 ARG A 51 -5.331 17.668 -7.102 1.00 3.10 H new ATOM 0 HE ARG A 51 -7.137 16.789 -5.388 1.00 5.41 H new ATOM 0 HH11 ARG A 51 -7.852 18.333 -8.510 1.00 6.42 H new ATOM 0 HH12 ARG A 51 -9.469 17.622 -8.553 1.00 6.42 H new ATOM 0 HH21 ARG A 51 -9.163 16.040 -5.451 1.00 8.90 H new ATOM 0 HH22 ARG A 51 -10.198 16.345 -6.849 1.00 8.90 H new ATOM 788 N GLU A 52 -5.044 22.711 -5.100 1.00 1.19 N ATOM 789 CA GLU A 52 -6.097 23.622 -5.473 1.00 1.54 C ATOM 790 C GLU A 52 -7.025 22.976 -6.513 1.00 1.76 C ATOM 791 O GLU A 52 -6.576 22.161 -7.322 1.00 2.08 O ATOM 792 CB GLU A 52 -5.375 24.826 -6.093 1.00 2.14 C ATOM 793 CG GLU A 52 -6.229 26.075 -6.113 1.00 2.63 C ATOM 794 CD GLU A 52 -6.250 26.734 -4.742 1.00 2.62 C ATOM 795 OE1 GLU A 52 -6.964 26.223 -3.858 1.00 3.24 O ATOM 796 OE2 GLU A 52 -5.588 27.770 -4.542 1.00 3.13 O ATOM 0 H GLU A 52 -4.182 22.878 -5.618 1.00 1.19 H new ATOM 0 HA GLU A 52 -6.716 23.900 -4.620 1.00 1.54 H new ATOM 0 HB2 GLU A 52 -4.462 25.025 -5.532 1.00 2.14 H new ATOM 0 HB3 GLU A 52 -5.076 24.579 -7.112 1.00 2.14 H new ATOM 0 HG2 GLU A 52 -5.841 26.775 -6.853 1.00 2.63 H new ATOM 0 HG3 GLU A 52 -7.245 25.822 -6.416 1.00 2.63 H new ATOM 803 N VAL A 53 -8.290 23.396 -6.530 1.00 1.80 N ATOM 804 CA VAL A 53 -9.189 23.399 -7.696 1.00 2.05 C ATOM 805 C VAL A 53 -9.976 24.716 -7.641 1.00 2.13 C ATOM 806 O VAL A 53 -10.660 24.949 -6.657 1.00 2.29 O ATOM 807 CB VAL A 53 -10.164 22.192 -7.666 1.00 2.08 C ATOM 808 CG1 VAL A 53 -11.185 22.251 -8.814 1.00 2.67 C ATOM 809 CG2 VAL A 53 -9.432 20.842 -7.767 1.00 2.54 C ATOM 0 H VAL A 53 -8.743 23.762 -5.693 1.00 1.80 H new ATOM 0 HA VAL A 53 -8.612 23.314 -8.617 1.00 2.05 H new ATOM 0 HB VAL A 53 -10.673 22.263 -6.704 1.00 2.08 H new ATOM 0 HG11 VAL A 53 -11.848 21.388 -8.756 1.00 2.67 H new ATOM 0 HG12 VAL A 53 -11.772 23.166 -8.732 1.00 2.67 H new ATOM 0 HG13 VAL A 53 -10.660 22.241 -9.769 1.00 2.67 H new ATOM 0 HG21 VAL A 53 -10.160 20.031 -7.741 1.00 2.54 H new ATOM 0 HG22 VAL A 53 -8.874 20.800 -8.702 1.00 2.54 H new ATOM 0 HG23 VAL A 53 -8.743 20.738 -6.929 1.00 2.54 H new ATOM 819 N GLU A 54 -9.838 25.607 -8.633 1.00 2.33 N ATOM 820 CA GLU A 54 -10.571 26.897 -8.733 1.00 2.56 C ATOM 821 C GLU A 54 -10.283 27.903 -7.581 1.00 2.55 C ATOM 822 O GLU A 54 -11.109 28.765 -7.286 1.00 2.78 O ATOM 823 CB GLU A 54 -12.095 26.672 -8.827 1.00 2.77 C ATOM 824 CG GLU A 54 -12.620 25.787 -9.962 1.00 3.27 C ATOM 825 CD GLU A 54 -14.053 25.424 -9.594 1.00 3.52 C ATOM 826 OE1 GLU A 54 -14.231 24.449 -8.829 1.00 3.91 O ATOM 827 OE2 GLU A 54 -14.969 26.246 -9.825 1.00 3.89 O ATOM 0 H GLU A 54 -9.199 25.455 -9.413 1.00 2.33 H new ATOM 0 HA GLU A 54 -10.191 27.348 -9.650 1.00 2.56 H new ATOM 0 HB2 GLU A 54 -12.428 26.239 -7.884 1.00 2.77 H new ATOM 0 HB3 GLU A 54 -12.572 27.648 -8.916 1.00 2.77 H new ATOM 0 HG2 GLU A 54 -12.585 26.315 -10.915 1.00 3.27 H new ATOM 0 HG3 GLU A 54 -12.008 24.892 -10.072 1.00 3.27 H new ATOM 834 N GLY A 55 -9.152 27.776 -6.871 1.00 2.36 N ATOM 835 CA GLY A 55 -8.871 28.542 -5.636 1.00 2.40 C ATOM 836 C GLY A 55 -9.385 27.869 -4.350 1.00 2.26 C ATOM 837 O GLY A 55 -9.212 28.401 -3.248 1.00 2.25 O ATOM 0 H GLY A 55 -8.401 27.138 -7.134 1.00 2.36 H new ATOM 0 HA2 GLY A 55 -7.795 28.691 -5.550 1.00 2.40 H new ATOM 0 HA3 GLY A 55 -9.324 29.530 -5.723 1.00 2.40 H new ATOM 841 N LYS A 56 -10.001 26.694 -4.490 1.00 2.23 N ATOM 842 CA LYS A 56 -10.651 25.891 -3.463 1.00 2.25 C ATOM 843 C LYS A 56 -9.720 24.715 -3.133 1.00 1.91 C ATOM 844 O LYS A 56 -9.345 23.900 -3.983 1.00 1.69 O ATOM 845 CB LYS A 56 -12.041 25.388 -3.931 1.00 2.44 C ATOM 846 CG LYS A 56 -12.914 26.423 -4.676 1.00 3.03 C ATOM 847 CD LYS A 56 -14.091 25.749 -5.399 1.00 3.48 C ATOM 848 CE LYS A 56 -14.804 26.753 -6.316 1.00 3.76 C ATOM 849 NZ LYS A 56 -15.728 26.071 -7.255 1.00 4.09 N ATOM 0 H LYS A 56 -10.061 26.245 -5.404 1.00 2.23 H new ATOM 0 HA LYS A 56 -10.826 26.496 -2.574 1.00 2.25 H new ATOM 0 HB2 LYS A 56 -11.894 24.527 -4.584 1.00 2.44 H new ATOM 0 HB3 LYS A 56 -12.592 25.036 -3.059 1.00 2.44 H new ATOM 0 HG2 LYS A 56 -13.294 27.158 -3.967 1.00 3.03 H new ATOM 0 HG3 LYS A 56 -12.303 26.964 -5.399 1.00 3.03 H new ATOM 0 HD2 LYS A 56 -13.730 24.904 -5.986 1.00 3.48 H new ATOM 0 HD3 LYS A 56 -14.795 25.351 -4.668 1.00 3.48 H new ATOM 0 HE2 LYS A 56 -15.361 27.468 -5.711 1.00 3.76 H new ATOM 0 HE3 LYS A 56 -14.064 27.321 -6.880 1.00 3.76 H new ATOM 0 HZ1 LYS A 56 -15.719 26.564 -8.171 1.00 4.09 H new ATOM 0 HZ2 LYS A 56 -15.422 25.086 -7.389 1.00 4.09 H new ATOM 0 HZ3 LYS A 56 -16.692 26.084 -6.864 1.00 4.09 H new ATOM 863 N LYS A 57 -9.318 24.660 -1.875 1.00 1.92 N ATOM 864 CA LYS A 57 -8.242 23.810 -1.369 1.00 1.63 C ATOM 865 C LYS A 57 -8.798 22.439 -0.975 1.00 1.27 C ATOM 866 O LYS A 57 -9.767 22.338 -0.226 1.00 1.38 O ATOM 867 CB LYS A 57 -7.508 24.554 -0.233 1.00 2.00 C ATOM 868 CG LYS A 57 -6.803 25.759 -0.875 1.00 3.04 C ATOM 869 CD LYS A 57 -6.272 26.882 0.015 1.00 3.30 C ATOM 870 CE LYS A 57 -5.574 27.933 -0.877 1.00 4.45 C ATOM 871 NZ LYS A 57 -6.376 28.339 -2.066 1.00 5.19 N ATOM 0 H LYS A 57 -9.747 25.228 -1.144 1.00 1.92 H new ATOM 0 HA LYS A 57 -7.498 23.610 -2.140 1.00 1.63 H new ATOM 0 HB2 LYS A 57 -8.211 24.881 0.533 1.00 2.00 H new ATOM 0 HB3 LYS A 57 -6.786 23.899 0.255 1.00 2.00 H new ATOM 0 HG2 LYS A 57 -5.962 25.376 -1.453 1.00 3.04 H new ATOM 0 HG3 LYS A 57 -7.500 26.206 -1.584 1.00 3.04 H new ATOM 0 HD2 LYS A 57 -7.089 27.341 0.572 1.00 3.30 H new ATOM 0 HD3 LYS A 57 -5.571 26.483 0.748 1.00 3.30 H new ATOM 0 HE2 LYS A 57 -5.356 28.817 -0.278 1.00 4.45 H new ATOM 0 HE3 LYS A 57 -4.618 27.533 -1.214 1.00 4.45 H new ATOM 0 HZ1 LYS A 57 -6.162 29.327 -2.308 1.00 5.19 H new ATOM 0 HZ2 LYS A 57 -6.138 27.726 -2.871 1.00 5.19 H new ATOM 0 HZ3 LYS A 57 -7.389 28.248 -1.849 1.00 5.19 H new ATOM 885 N VAL A 58 -8.192 21.400 -1.532 1.00 1.00 N ATOM 886 CA VAL A 58 -8.703 20.023 -1.561 1.00 0.90 C ATOM 887 C VAL A 58 -7.529 19.037 -1.689 1.00 0.80 C ATOM 888 O VAL A 58 -6.368 19.441 -1.685 1.00 0.92 O ATOM 889 CB VAL A 58 -9.784 19.892 -2.674 1.00 1.11 C ATOM 890 CG1 VAL A 58 -9.190 19.898 -4.094 1.00 1.83 C ATOM 891 CG2 VAL A 58 -10.702 18.668 -2.500 1.00 2.67 C ATOM 0 H VAL A 58 -7.290 21.490 -1.999 1.00 1.00 H new ATOM 0 HA VAL A 58 -9.203 19.768 -0.627 1.00 0.90 H new ATOM 0 HB VAL A 58 -10.396 20.786 -2.554 1.00 1.11 H new ATOM 0 HG11 VAL A 58 -9.993 19.804 -4.825 1.00 1.83 H new ATOM 0 HG12 VAL A 58 -8.655 20.833 -4.261 1.00 1.83 H new ATOM 0 HG13 VAL A 58 -8.500 19.061 -4.203 1.00 1.83 H new ATOM 0 HG21 VAL A 58 -11.430 18.641 -3.311 1.00 2.67 H new ATOM 0 HG22 VAL A 58 -10.103 17.758 -2.520 1.00 2.67 H new ATOM 0 HG23 VAL A 58 -11.224 18.738 -1.546 1.00 2.67 H new ATOM 901 N MET A 59 -7.803 17.736 -1.758 1.00 0.74 N ATOM 902 CA MET A 59 -6.788 16.676 -1.859 1.00 0.68 C ATOM 903 C MET A 59 -6.957 15.868 -3.153 1.00 0.71 C ATOM 904 O MET A 59 -7.983 15.957 -3.839 1.00 1.04 O ATOM 905 CB MET A 59 -6.845 15.806 -0.594 1.00 0.75 C ATOM 906 CG MET A 59 -6.430 16.616 0.651 1.00 0.88 C ATOM 907 SD MET A 59 -4.661 16.625 1.028 1.00 2.44 S ATOM 908 CE MET A 59 -4.542 15.085 1.975 1.00 3.09 C ATOM 0 H MET A 59 -8.757 17.376 -1.745 1.00 0.74 H new ATOM 0 HA MET A 59 -5.793 17.118 -1.917 1.00 0.68 H new ATOM 0 HB2 MET A 59 -7.855 15.418 -0.460 1.00 0.75 H new ATOM 0 HB3 MET A 59 -6.186 14.946 -0.709 1.00 0.75 H new ATOM 0 HG2 MET A 59 -6.759 17.646 0.518 1.00 0.88 H new ATOM 0 HG3 MET A 59 -6.965 16.220 1.514 1.00 0.88 H new ATOM 0 HE1 MET A 59 -3.510 14.931 2.290 1.00 3.09 H new ATOM 0 HE2 MET A 59 -5.184 15.147 2.853 1.00 3.09 H new ATOM 0 HE3 MET A 59 -4.860 14.249 1.352 1.00 3.09 H new ATOM 918 N GLY A 60 -5.912 15.145 -3.546 1.00 0.55 N ATOM 919 CA GLY A 60 -5.826 14.336 -4.762 1.00 0.65 C ATOM 920 C GLY A 60 -5.046 13.046 -4.522 1.00 0.55 C ATOM 921 O GLY A 60 -4.413 12.877 -3.485 1.00 0.57 O ATOM 0 H GLY A 60 -5.054 15.104 -2.995 1.00 0.55 H new ATOM 0 HA2 GLY A 60 -6.830 14.096 -5.112 1.00 0.65 H new ATOM 0 HA3 GLY A 60 -5.343 14.913 -5.551 1.00 0.65 H new ATOM 925 N MET A 61 -5.112 12.137 -5.494 1.00 0.54 N ATOM 926 CA MET A 61 -4.470 10.822 -5.468 1.00 0.52 C ATOM 927 C MET A 61 -4.297 10.319 -6.898 1.00 0.45 C ATOM 928 O MET A 61 -5.222 10.369 -7.722 1.00 0.51 O ATOM 929 CB MET A 61 -5.325 9.885 -4.604 1.00 0.66 C ATOM 930 CG MET A 61 -5.120 8.377 -4.804 1.00 0.61 C ATOM 931 SD MET A 61 -6.476 7.258 -4.289 1.00 0.64 S ATOM 932 CE MET A 61 -7.275 8.184 -2.954 1.00 0.74 C ATOM 0 H MET A 61 -5.634 12.302 -6.355 1.00 0.54 H new ATOM 0 HA MET A 61 -3.475 10.869 -5.026 1.00 0.52 H new ATOM 0 HB2 MET A 61 -5.131 10.118 -3.557 1.00 0.66 H new ATOM 0 HB3 MET A 61 -6.374 10.113 -4.792 1.00 0.66 H new ATOM 0 HG2 MET A 61 -4.925 8.202 -5.862 1.00 0.61 H new ATOM 0 HG3 MET A 61 -4.221 8.086 -4.262 1.00 0.61 H new ATOM 0 HE1 MET A 61 -7.914 7.514 -2.378 1.00 0.74 H new ATOM 0 HE2 MET A 61 -6.514 8.610 -2.301 1.00 0.74 H new ATOM 0 HE3 MET A 61 -7.879 8.986 -3.378 1.00 0.74 H new ATOM 942 N ARG A 62 -3.094 9.844 -7.185 1.00 0.57 N ATOM 943 CA ARG A 62 -2.593 9.491 -8.512 1.00 0.64 C ATOM 944 C ARG A 62 -1.648 8.278 -8.405 1.00 0.76 C ATOM 945 O ARG A 62 -1.046 8.076 -7.352 1.00 0.81 O ATOM 946 CB ARG A 62 -1.904 10.742 -9.115 1.00 0.74 C ATOM 947 CG ARG A 62 -2.847 11.844 -9.638 1.00 1.44 C ATOM 948 CD ARG A 62 -3.663 11.476 -10.884 1.00 2.70 C ATOM 949 NE ARG A 62 -4.800 10.611 -10.537 1.00 4.68 N ATOM 950 CZ ARG A 62 -5.544 9.882 -11.357 1.00 6.48 C ATOM 951 NH1 ARG A 62 -5.482 10.009 -12.668 1.00 6.78 N ATOM 952 NH2 ARG A 62 -6.367 9.000 -10.835 1.00 8.14 N ATOM 0 H ARG A 62 -2.398 9.684 -6.457 1.00 0.57 H new ATOM 0 HA ARG A 62 -3.403 9.195 -9.179 1.00 0.64 H new ATOM 0 HB2 ARG A 62 -1.255 11.177 -8.355 1.00 0.74 H new ATOM 0 HB3 ARG A 62 -1.263 10.420 -9.936 1.00 0.74 H new ATOM 0 HG2 ARG A 62 -3.538 12.116 -8.840 1.00 1.44 H new ATOM 0 HG3 ARG A 62 -2.253 12.730 -9.862 1.00 1.44 H new ATOM 0 HD2 ARG A 62 -4.027 12.384 -11.365 1.00 2.70 H new ATOM 0 HD3 ARG A 62 -3.022 10.968 -11.605 1.00 2.70 H new ATOM 0 HE ARG A 62 -5.046 10.566 -9.548 1.00 4.68 H new ATOM 0 HH11 ARG A 62 -4.845 10.687 -13.085 1.00 6.78 H new ATOM 0 HH12 ARG A 62 -6.071 9.429 -13.265 1.00 6.78 H new ATOM 0 HH21 ARG A 62 -6.421 8.890 -9.822 1.00 8.14 H new ATOM 0 HH22 ARG A 62 -6.951 8.426 -11.443 1.00 8.14 H new ATOM 966 N PRO A 63 -1.569 7.412 -9.434 1.00 0.76 N ATOM 967 CA PRO A 63 -0.759 6.203 -9.368 1.00 0.71 C ATOM 968 C PRO A 63 0.722 6.523 -9.548 1.00 0.71 C ATOM 969 O PRO A 63 1.047 7.537 -10.165 1.00 0.75 O ATOM 970 CB PRO A 63 -1.294 5.293 -10.467 1.00 0.73 C ATOM 971 CG PRO A 63 -1.752 6.289 -11.532 1.00 0.78 C ATOM 972 CD PRO A 63 -2.295 7.453 -10.697 1.00 0.78 C ATOM 0 HA PRO A 63 -0.829 5.716 -8.395 1.00 0.71 H new ATOM 0 HB2 PRO A 63 -0.525 4.620 -10.846 1.00 0.73 H new ATOM 0 HB3 PRO A 63 -2.116 4.671 -10.114 1.00 0.73 H new ATOM 0 HG2 PRO A 63 -0.929 6.602 -12.174 1.00 0.78 H new ATOM 0 HG3 PRO A 63 -2.518 5.864 -12.180 1.00 0.78 H new ATOM 0 HD2 PRO A 63 -2.140 8.404 -11.206 1.00 0.78 H new ATOM 0 HD3 PRO A 63 -3.368 7.350 -10.534 1.00 0.78 H new ATOM 980 N VAL A 64 1.603 5.657 -9.028 1.00 0.69 N ATOM 981 CA VAL A 64 3.061 5.810 -9.207 1.00 0.65 C ATOM 982 C VAL A 64 3.694 4.487 -9.664 1.00 0.59 C ATOM 983 O VAL A 64 3.134 3.437 -9.365 1.00 0.61 O ATOM 984 CB VAL A 64 3.744 6.388 -7.944 1.00 0.69 C ATOM 985 CG1 VAL A 64 3.267 7.829 -7.701 1.00 0.72 C ATOM 986 CG2 VAL A 64 3.548 5.536 -6.681 1.00 0.84 C ATOM 0 H VAL A 64 1.335 4.841 -8.478 1.00 0.69 H new ATOM 0 HA VAL A 64 3.227 6.541 -9.998 1.00 0.65 H new ATOM 0 HB VAL A 64 4.815 6.377 -8.144 1.00 0.69 H new ATOM 0 HG11 VAL A 64 3.753 8.228 -6.810 1.00 0.72 H new ATOM 0 HG12 VAL A 64 3.523 8.447 -8.561 1.00 0.72 H new ATOM 0 HG13 VAL A 64 2.186 7.835 -7.559 1.00 0.72 H new ATOM 0 HG21 VAL A 64 4.057 6.009 -5.841 1.00 0.84 H new ATOM 0 HG22 VAL A 64 2.484 5.452 -6.460 1.00 0.84 H new ATOM 0 HG23 VAL A 64 3.964 4.542 -6.844 1.00 0.84 H new ATOM 996 N PRO A 65 4.818 4.500 -10.414 1.00 0.54 N ATOM 997 CA PRO A 65 5.342 3.317 -11.103 1.00 0.50 C ATOM 998 C PRO A 65 6.077 2.355 -10.171 1.00 0.47 C ATOM 999 O PRO A 65 6.230 1.185 -10.514 1.00 0.48 O ATOM 1000 CB PRO A 65 6.268 3.869 -12.190 1.00 0.53 C ATOM 1001 CG PRO A 65 6.815 5.148 -11.562 1.00 0.57 C ATOM 1002 CD PRO A 65 5.633 5.664 -10.743 1.00 0.57 C ATOM 0 HA PRO A 65 4.530 2.718 -11.515 1.00 0.50 H new ATOM 0 HB2 PRO A 65 7.065 3.167 -12.435 1.00 0.53 H new ATOM 0 HB3 PRO A 65 5.728 4.073 -13.114 1.00 0.53 H new ATOM 0 HG2 PRO A 65 7.684 4.950 -10.935 1.00 0.57 H new ATOM 0 HG3 PRO A 65 7.126 5.868 -12.319 1.00 0.57 H new ATOM 0 HD2 PRO A 65 5.977 6.165 -9.838 1.00 0.57 H new ATOM 0 HD3 PRO A 65 5.056 6.393 -11.311 1.00 0.57 H new ATOM 1010 N PHE A 66 6.525 2.851 -9.014 1.00 0.45 N ATOM 1011 CA PHE A 66 7.239 2.126 -7.961 1.00 0.43 C ATOM 1012 C PHE A 66 7.560 3.062 -6.788 1.00 0.43 C ATOM 1013 O PHE A 66 7.582 4.284 -6.940 1.00 0.50 O ATOM 1014 CB PHE A 66 8.537 1.479 -8.482 1.00 0.46 C ATOM 1015 CG PHE A 66 9.547 2.473 -8.992 1.00 0.49 C ATOM 1016 CD1 PHE A 66 10.442 3.071 -8.090 1.00 1.96 C ATOM 1017 CD2 PHE A 66 9.544 2.848 -10.343 1.00 1.73 C ATOM 1018 CE1 PHE A 66 11.325 4.068 -8.522 1.00 1.98 C ATOM 1019 CE2 PHE A 66 10.452 3.826 -10.792 1.00 1.75 C ATOM 1020 CZ PHE A 66 11.340 4.438 -9.881 1.00 0.59 C ATOM 0 H PHE A 66 6.389 3.833 -8.773 1.00 0.45 H new ATOM 0 HA PHE A 66 6.581 1.327 -7.619 1.00 0.43 H new ATOM 0 HB2 PHE A 66 8.988 0.895 -7.680 1.00 0.46 H new ATOM 0 HB3 PHE A 66 8.289 0.783 -9.283 1.00 0.46 H new ATOM 0 HD1 PHE A 66 10.449 2.760 -7.056 1.00 1.96 H new ATOM 0 HD2 PHE A 66 8.851 2.391 -11.034 1.00 1.73 H new ATOM 0 HE1 PHE A 66 11.989 4.549 -7.819 1.00 1.98 H new ATOM 0 HE2 PHE A 66 10.469 4.108 -11.834 1.00 1.75 H new ATOM 0 HZ PHE A 66 12.032 5.191 -10.227 1.00 0.59 H new ATOM 1030 N LEU A 67 7.905 2.474 -5.640 1.00 0.41 N ATOM 1031 CA LEU A 67 8.590 3.166 -4.538 1.00 0.43 C ATOM 1032 C LEU A 67 10.024 2.663 -4.398 1.00 0.47 C ATOM 1033 O LEU A 67 10.312 1.524 -4.755 1.00 0.48 O ATOM 1034 CB LEU A 67 7.858 2.946 -3.202 1.00 0.44 C ATOM 1035 CG LEU A 67 6.361 3.280 -3.181 1.00 0.47 C ATOM 1036 CD1 LEU A 67 5.878 3.187 -1.734 1.00 0.55 C ATOM 1037 CD2 LEU A 67 6.022 4.670 -3.729 1.00 0.52 C ATOM 0 H LEU A 67 7.715 1.491 -5.444 1.00 0.41 H new ATOM 0 HA LEU A 67 8.592 4.230 -4.775 1.00 0.43 H new ATOM 0 HB2 LEU A 67 7.979 1.902 -2.914 1.00 0.44 H new ATOM 0 HB3 LEU A 67 8.353 3.546 -2.439 1.00 0.44 H new ATOM 0 HG LEU A 67 5.862 2.565 -3.835 1.00 0.47 H new ATOM 0 HD11 LEU A 67 4.814 3.420 -1.690 1.00 0.55 H new ATOM 0 HD12 LEU A 67 6.044 2.177 -1.359 1.00 0.55 H new ATOM 0 HD13 LEU A 67 6.431 3.897 -1.119 1.00 0.55 H new ATOM 0 HD21 LEU A 67 4.945 4.828 -3.679 1.00 0.52 H new ATOM 0 HD22 LEU A 67 6.528 5.429 -3.133 1.00 0.52 H new ATOM 0 HD23 LEU A 67 6.352 4.743 -4.765 1.00 0.52 H new ATOM 1049 N GLU A 68 10.918 3.478 -3.848 1.00 0.52 N ATOM 1050 CA GLU A 68 12.324 3.121 -3.663 1.00 0.56 C ATOM 1051 C GLU A 68 12.797 3.503 -2.272 1.00 0.66 C ATOM 1052 O GLU A 68 12.340 4.504 -1.720 1.00 0.83 O ATOM 1053 CB GLU A 68 13.179 3.785 -4.742 1.00 0.91 C ATOM 1054 CG GLU A 68 14.687 3.616 -4.478 1.00 0.86 C ATOM 1055 CD GLU A 68 15.513 3.706 -5.768 1.00 0.92 C ATOM 1056 OE1 GLU A 68 14.951 4.051 -6.833 1.00 1.96 O ATOM 1057 OE2 GLU A 68 16.681 3.262 -5.751 1.00 1.92 O ATOM 0 H GLU A 68 10.687 4.414 -3.514 1.00 0.52 H new ATOM 0 HA GLU A 68 12.429 2.040 -3.760 1.00 0.56 H new ATOM 0 HB2 GLU A 68 12.932 3.356 -5.713 1.00 0.91 H new ATOM 0 HB3 GLU A 68 12.938 4.847 -4.792 1.00 0.91 H new ATOM 0 HG2 GLU A 68 15.021 4.384 -3.780 1.00 0.86 H new ATOM 0 HG3 GLU A 68 14.865 2.652 -4.001 1.00 0.86 H new ATOM 1064 N VAL A 69 13.707 2.688 -1.722 1.00 0.68 N ATOM 1065 CA VAL A 69 14.188 2.831 -0.354 1.00 0.75 C ATOM 1066 C VAL A 69 15.685 2.508 -0.215 1.00 0.76 C ATOM 1067 O VAL A 69 16.116 1.458 -0.691 1.00 0.76 O ATOM 1068 CB VAL A 69 13.362 1.923 0.608 1.00 0.77 C ATOM 1069 CG1 VAL A 69 13.669 2.179 2.092 1.00 0.88 C ATOM 1070 CG2 VAL A 69 11.841 2.052 0.401 1.00 0.79 C ATOM 0 H VAL A 69 14.129 1.907 -2.224 1.00 0.68 H new ATOM 0 HA VAL A 69 14.054 3.878 -0.082 1.00 0.75 H new ATOM 0 HB VAL A 69 13.675 0.912 0.348 1.00 0.77 H new ATOM 0 HG11 VAL A 69 13.062 1.516 2.709 1.00 0.88 H new ATOM 0 HG12 VAL A 69 14.725 1.987 2.283 1.00 0.88 H new ATOM 0 HG13 VAL A 69 13.438 3.215 2.338 1.00 0.88 H new ATOM 0 HG21 VAL A 69 11.322 1.396 1.100 1.00 0.79 H new ATOM 0 HG22 VAL A 69 11.536 3.084 0.577 1.00 0.79 H new ATOM 0 HG23 VAL A 69 11.587 1.768 -0.620 1.00 0.79 H new ATOM 1080 N PRO A 70 16.486 3.361 0.464 1.00 0.80 N ATOM 1081 CA PRO A 70 17.907 3.117 0.701 1.00 0.82 C ATOM 1082 C PRO A 70 18.134 1.986 1.726 1.00 0.83 C ATOM 1083 O PRO A 70 17.224 1.670 2.492 1.00 0.88 O ATOM 1084 CB PRO A 70 18.466 4.456 1.202 1.00 0.88 C ATOM 1085 CG PRO A 70 17.271 5.087 1.911 1.00 0.88 C ATOM 1086 CD PRO A 70 16.093 4.636 1.050 1.00 0.85 C ATOM 0 HA PRO A 70 18.412 2.782 -0.205 1.00 0.82 H new ATOM 0 HB2 PRO A 70 19.307 4.313 1.880 1.00 0.88 H new ATOM 0 HB3 PRO A 70 18.821 5.077 0.380 1.00 0.88 H new ATOM 0 HG2 PRO A 70 17.179 4.736 2.939 1.00 0.88 H new ATOM 0 HG3 PRO A 70 17.351 6.173 1.951 1.00 0.88 H new ATOM 0 HD2 PRO A 70 15.190 4.527 1.651 1.00 0.85 H new ATOM 0 HD3 PRO A 70 15.873 5.370 0.275 1.00 0.85 H new ATOM 1094 N PRO A 71 19.335 1.374 1.762 1.00 0.82 N ATOM 1095 CA PRO A 71 19.663 0.297 2.692 1.00 0.81 C ATOM 1096 C PRO A 71 19.550 0.741 4.151 1.00 0.86 C ATOM 1097 O PRO A 71 19.890 1.874 4.486 1.00 0.92 O ATOM 1098 CB PRO A 71 21.071 -0.165 2.319 1.00 0.85 C ATOM 1099 CG PRO A 71 21.675 0.997 1.539 1.00 0.87 C ATOM 1100 CD PRO A 71 20.466 1.659 0.891 1.00 0.85 C ATOM 0 HA PRO A 71 18.955 -0.528 2.609 1.00 0.81 H new ATOM 0 HB2 PRO A 71 21.660 -0.392 3.208 1.00 0.85 H new ATOM 0 HB3 PRO A 71 21.042 -1.072 1.716 1.00 0.85 H new ATOM 0 HG2 PRO A 71 22.207 1.687 2.194 1.00 0.87 H new ATOM 0 HG3 PRO A 71 22.390 0.651 0.793 1.00 0.87 H new ATOM 0 HD2 PRO A 71 20.618 2.733 0.789 1.00 0.85 H new ATOM 0 HD3 PRO A 71 20.296 1.264 -0.111 1.00 0.85 H new ATOM 1108 N LYS A 72 19.011 -0.150 4.996 1.00 0.90 N ATOM 1109 CA LYS A 72 18.674 0.046 6.429 1.00 1.04 C ATOM 1110 C LYS A 72 17.545 1.065 6.678 1.00 1.10 C ATOM 1111 O LYS A 72 17.084 1.230 7.806 1.00 1.28 O ATOM 1112 CB LYS A 72 19.942 0.362 7.249 1.00 1.19 C ATOM 1113 CG LYS A 72 20.818 -0.855 7.585 1.00 1.67 C ATOM 1114 CD LYS A 72 20.927 -1.933 6.501 1.00 1.20 C ATOM 1115 CE LYS A 72 21.897 -3.056 6.866 1.00 1.48 C ATOM 1116 NZ LYS A 72 21.743 -4.174 5.913 1.00 1.84 N ATOM 0 H LYS A 72 18.780 -1.093 4.683 1.00 0.90 H new ATOM 0 HA LYS A 72 18.266 -0.902 6.780 1.00 1.04 H new ATOM 0 HB2 LYS A 72 20.544 1.083 6.696 1.00 1.19 H new ATOM 0 HB3 LYS A 72 19.644 0.844 8.180 1.00 1.19 H new ATOM 0 HG2 LYS A 72 21.822 -0.500 7.817 1.00 1.67 H new ATOM 0 HG3 LYS A 72 20.427 -1.319 8.491 1.00 1.67 H new ATOM 0 HD2 LYS A 72 19.940 -2.358 6.320 1.00 1.20 H new ATOM 0 HD3 LYS A 72 21.251 -1.470 5.569 1.00 1.20 H new ATOM 0 HE2 LYS A 72 22.922 -2.686 6.845 1.00 1.48 H new ATOM 0 HE3 LYS A 72 21.704 -3.401 7.882 1.00 1.48 H new ATOM 0 HZ1 LYS A 72 22.450 -4.908 6.122 1.00 1.84 H new ATOM 0 HZ2 LYS A 72 20.789 -4.577 6.002 1.00 1.84 H new ATOM 0 HZ3 LYS A 72 21.882 -3.825 4.943 1.00 1.84 H new ATOM 1130 N GLY A 73 17.094 1.744 5.625 1.00 1.09 N ATOM 1131 CA GLY A 73 16.126 2.837 5.665 1.00 1.29 C ATOM 1132 C GLY A 73 14.681 2.357 5.790 1.00 1.38 C ATOM 1133 O GLY A 73 14.335 1.265 5.333 1.00 1.35 O ATOM 0 H GLY A 73 17.408 1.537 4.677 1.00 1.09 H new ATOM 0 HA2 GLY A 73 16.359 3.490 6.506 1.00 1.29 H new ATOM 0 HA3 GLY A 73 16.226 3.436 4.760 1.00 1.29 H new ATOM 1137 N ARG A 74 13.831 3.211 6.361 1.00 1.63 N ATOM 1138 CA ARG A 74 12.372 3.105 6.269 1.00 1.83 C ATOM 1139 C ARG A 74 11.833 4.198 5.336 1.00 2.23 C ATOM 1140 O ARG A 74 12.394 5.288 5.314 1.00 2.59 O ATOM 1141 CB ARG A 74 11.730 3.241 7.660 1.00 2.25 C ATOM 1142 CG ARG A 74 11.931 1.993 8.535 1.00 1.60 C ATOM 1143 CD ARG A 74 11.325 2.185 9.915 1.00 1.86 C ATOM 1144 NE ARG A 74 10.861 0.932 10.541 1.00 2.26 N ATOM 1145 CZ ARG A 74 9.896 0.826 11.444 1.00 2.92 C ATOM 1146 NH1 ARG A 74 9.279 1.863 11.954 1.00 3.52 N ATOM 1147 NH2 ARG A 74 9.501 -0.351 11.845 1.00 3.82 N ATOM 0 H ARG A 74 14.142 4.012 6.911 1.00 1.63 H new ATOM 0 HA ARG A 74 12.117 2.125 5.866 1.00 1.83 H new ATOM 0 HB2 ARG A 74 12.155 4.107 8.168 1.00 2.25 H new ATOM 0 HB3 ARG A 74 10.663 3.430 7.545 1.00 2.25 H new ATOM 0 HG2 ARG A 74 11.474 1.129 8.051 1.00 1.60 H new ATOM 0 HG3 ARG A 74 12.996 1.779 8.629 1.00 1.60 H new ATOM 0 HD2 ARG A 74 12.065 2.653 10.565 1.00 1.86 H new ATOM 0 HD3 ARG A 74 10.485 2.876 9.840 1.00 1.86 H new ATOM 0 HE ARG A 74 11.324 0.070 10.253 1.00 2.26 H new ATOM 0 HH11 ARG A 74 9.535 2.805 11.658 1.00 3.52 H new ATOM 0 HH12 ARG A 74 8.542 1.728 12.647 1.00 3.52 H new ATOM 0 HH21 ARG A 74 9.935 -1.192 11.464 1.00 3.82 H new ATOM 0 HH22 ARG A 74 8.758 -0.430 12.540 1.00 3.82 H new ATOM 1161 N VAL A 75 10.752 3.907 4.613 1.00 2.37 N ATOM 1162 CA VAL A 75 9.913 4.878 3.878 1.00 2.89 C ATOM 1163 C VAL A 75 8.473 4.377 3.961 1.00 2.58 C ATOM 1164 O VAL A 75 8.206 3.226 3.635 1.00 2.49 O ATOM 1165 CB VAL A 75 10.324 5.031 2.390 1.00 3.53 C ATOM 1166 CG1 VAL A 75 9.302 5.834 1.558 1.00 3.98 C ATOM 1167 CG2 VAL A 75 11.690 5.718 2.222 1.00 4.09 C ATOM 0 H VAL A 75 10.415 2.949 4.514 1.00 2.37 H new ATOM 0 HA VAL A 75 10.036 5.862 4.331 1.00 2.89 H new ATOM 0 HB VAL A 75 10.370 4.006 2.023 1.00 3.53 H new ATOM 0 HG11 VAL A 75 9.648 5.905 0.527 1.00 3.98 H new ATOM 0 HG12 VAL A 75 8.336 5.330 1.583 1.00 3.98 H new ATOM 0 HG13 VAL A 75 9.199 6.835 1.976 1.00 3.98 H new ATOM 0 HG21 VAL A 75 11.928 5.799 1.162 1.00 4.09 H new ATOM 0 HG22 VAL A 75 11.653 6.714 2.663 1.00 4.09 H new ATOM 0 HG23 VAL A 75 12.458 5.128 2.722 1.00 4.09 H new ATOM 1177 N GLU A 76 7.533 5.196 4.424 1.00 2.54 N ATOM 1178 CA GLU A 76 6.191 4.707 4.766 1.00 2.17 C ATOM 1179 C GLU A 76 5.172 4.840 3.618 1.00 1.64 C ATOM 1180 O GLU A 76 4.952 5.930 3.076 1.00 1.79 O ATOM 1181 CB GLU A 76 5.637 5.365 6.041 1.00 2.61 C ATOM 1182 CG GLU A 76 6.663 5.694 7.140 1.00 2.88 C ATOM 1183 CD GLU A 76 7.412 6.992 6.832 1.00 3.74 C ATOM 1184 OE1 GLU A 76 6.761 8.061 6.858 1.00 4.65 O ATOM 1185 OE2 GLU A 76 8.594 6.889 6.437 1.00 4.33 O ATOM 0 H GLU A 76 7.669 6.196 4.572 1.00 2.54 H new ATOM 0 HA GLU A 76 6.327 3.642 4.953 1.00 2.17 H new ATOM 0 HB2 GLU A 76 5.132 6.288 5.758 1.00 2.61 H new ATOM 0 HB3 GLU A 76 4.881 4.705 6.466 1.00 2.61 H new ATOM 0 HG2 GLU A 76 6.154 5.784 8.100 1.00 2.88 H new ATOM 0 HG3 GLU A 76 7.375 4.874 7.233 1.00 2.88 H new ATOM 1192 N LEU A 77 4.449 3.747 3.337 1.00 1.21 N ATOM 1193 CA LEU A 77 3.152 3.772 2.652 1.00 0.78 C ATOM 1194 C LEU A 77 2.064 4.244 3.630 1.00 0.94 C ATOM 1195 O LEU A 77 1.214 3.482 4.078 1.00 1.94 O ATOM 1196 CB LEU A 77 2.796 2.409 2.017 1.00 0.71 C ATOM 1197 CG LEU A 77 3.712 1.984 0.850 1.00 0.86 C ATOM 1198 CD1 LEU A 77 4.535 0.739 1.201 1.00 0.76 C ATOM 1199 CD2 LEU A 77 2.882 1.696 -0.415 1.00 1.24 C ATOM 0 H LEU A 77 4.755 2.806 3.584 1.00 1.21 H new ATOM 0 HA LEU A 77 3.217 4.479 1.825 1.00 0.78 H new ATOM 0 HB2 LEU A 77 2.835 1.642 2.790 1.00 0.71 H new ATOM 0 HB3 LEU A 77 1.767 2.448 1.658 1.00 0.71 H new ATOM 0 HG LEU A 77 4.394 2.813 0.662 1.00 0.86 H new ATOM 0 HD11 LEU A 77 5.167 0.470 0.355 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.160 0.949 2.069 1.00 0.76 H new ATOM 0 HD13 LEU A 77 3.863 -0.089 1.429 1.00 0.76 H new ATOM 0 HD21 LEU A 77 3.546 1.398 -1.226 1.00 1.24 H new ATOM 0 HD22 LEU A 77 2.175 0.892 -0.211 1.00 1.24 H new ATOM 0 HD23 LEU A 77 2.336 2.594 -0.704 1.00 1.24 H new ATOM 1211 N LYS A 78 2.124 5.513 4.011 1.00 0.91 N ATOM 1212 CA LYS A 78 1.203 6.171 4.942 1.00 1.02 C ATOM 1213 C LYS A 78 -0.014 6.828 4.251 1.00 1.00 C ATOM 1214 O LYS A 78 0.111 7.267 3.109 1.00 1.02 O ATOM 1215 CB LYS A 78 2.025 7.196 5.743 1.00 1.43 C ATOM 1216 CG LYS A 78 2.724 8.261 4.865 1.00 1.15 C ATOM 1217 CD LYS A 78 3.846 8.971 5.643 1.00 1.88 C ATOM 1218 CE LYS A 78 5.028 9.323 4.733 1.00 2.31 C ATOM 1219 NZ LYS A 78 4.746 10.505 3.889 1.00 3.96 N ATOM 0 H LYS A 78 2.847 6.145 3.667 1.00 0.91 H new ATOM 0 HA LYS A 78 0.764 5.420 5.599 1.00 1.02 H new ATOM 0 HB2 LYS A 78 1.368 7.699 6.453 1.00 1.43 H new ATOM 0 HB3 LYS A 78 2.779 6.667 6.325 1.00 1.43 H new ATOM 0 HG2 LYS A 78 3.138 7.788 3.974 1.00 1.15 H new ATOM 0 HG3 LYS A 78 1.992 8.994 4.526 1.00 1.15 H new ATOM 0 HD2 LYS A 78 3.454 9.880 6.099 1.00 1.88 H new ATOM 0 HD3 LYS A 78 4.189 8.329 6.454 1.00 1.88 H new ATOM 0 HE2 LYS A 78 5.910 9.516 5.343 1.00 2.31 H new ATOM 0 HE3 LYS A 78 5.261 8.470 4.096 1.00 2.31 H new ATOM 0 HZ1 LYS A 78 5.187 10.379 2.956 1.00 3.96 H new ATOM 0 HZ2 LYS A 78 3.718 10.612 3.774 1.00 3.96 H new ATOM 0 HZ3 LYS A 78 5.134 11.356 4.343 1.00 3.96 H new ATOM 1233 N PRO A 79 -1.148 7.042 4.954 1.00 1.33 N ATOM 1234 CA PRO A 79 -2.258 7.849 4.441 1.00 1.76 C ATOM 1235 C PRO A 79 -1.870 9.315 4.184 1.00 1.80 C ATOM 1236 O PRO A 79 -2.491 9.960 3.346 1.00 2.66 O ATOM 1237 CB PRO A 79 -3.386 7.711 5.467 1.00 2.16 C ATOM 1238 CG PRO A 79 -2.650 7.391 6.765 1.00 1.89 C ATOM 1239 CD PRO A 79 -1.463 6.553 6.288 1.00 1.63 C ATOM 0 HA PRO A 79 -2.572 7.490 3.461 1.00 1.76 H new ATOM 0 HB2 PRO A 79 -3.967 8.630 5.551 1.00 2.16 H new ATOM 0 HB3 PRO A 79 -4.082 6.918 5.194 1.00 2.16 H new ATOM 0 HG2 PRO A 79 -2.325 8.296 7.279 1.00 1.89 H new ATOM 0 HG3 PRO A 79 -3.281 6.838 7.461 1.00 1.89 H new ATOM 0 HD2 PRO A 79 -0.610 6.665 6.958 1.00 1.63 H new ATOM 0 HD3 PRO A 79 -1.715 5.493 6.267 1.00 1.63 H new ATOM 1247 N GLY A 80 -0.796 9.825 4.807 1.00 1.72 N ATOM 1248 CA GLY A 80 -0.126 11.068 4.396 1.00 2.25 C ATOM 1249 C GLY A 80 0.784 10.850 3.180 1.00 2.07 C ATOM 1250 O GLY A 80 1.983 11.149 3.251 1.00 3.11 O ATOM 0 H GLY A 80 -0.365 9.382 5.618 1.00 1.72 H new ATOM 0 HA2 GLY A 80 -0.875 11.823 4.158 1.00 2.25 H new ATOM 0 HA3 GLY A 80 0.464 11.455 5.227 1.00 2.25 H new ATOM 1254 N GLY A 81 0.233 10.265 2.108 1.00 1.28 N ATOM 1255 CA GLY A 81 0.935 9.935 0.864 1.00 0.95 C ATOM 1256 C GLY A 81 0.698 8.522 0.323 1.00 0.75 C ATOM 1257 O GLY A 81 -0.401 8.162 -0.106 1.00 1.44 O ATOM 0 H GLY A 81 -0.751 9.999 2.084 1.00 1.28 H new ATOM 0 HA2 GLY A 81 0.637 10.652 0.099 1.00 0.95 H new ATOM 0 HA3 GLY A 81 2.005 10.068 1.026 1.00 0.95 H new ATOM 1261 N TYR A 82 1.772 7.734 0.242 1.00 0.86 N ATOM 1262 CA TYR A 82 1.792 6.542 -0.605 1.00 0.75 C ATOM 1263 C TYR A 82 0.981 5.393 -0.023 1.00 0.74 C ATOM 1264 O TYR A 82 0.967 5.169 1.180 1.00 0.83 O ATOM 1265 CB TYR A 82 3.219 6.061 -0.841 1.00 0.75 C ATOM 1266 CG TYR A 82 4.064 7.010 -1.652 1.00 0.77 C ATOM 1267 CD1 TYR A 82 3.765 7.196 -3.013 1.00 1.87 C ATOM 1268 CD2 TYR A 82 5.168 7.666 -1.072 1.00 2.17 C ATOM 1269 CE1 TYR A 82 4.603 7.994 -3.804 1.00 1.95 C ATOM 1270 CE2 TYR A 82 5.997 8.486 -1.862 1.00 2.23 C ATOM 1271 CZ TYR A 82 5.727 8.637 -3.243 1.00 1.10 C ATOM 1272 OH TYR A 82 6.546 9.380 -4.038 1.00 1.39 O ATOM 0 H TYR A 82 2.639 7.901 0.753 1.00 0.86 H new ATOM 0 HA TYR A 82 1.336 6.841 -1.549 1.00 0.75 H new ATOM 0 HB2 TYR A 82 3.700 5.898 0.124 1.00 0.75 H new ATOM 0 HB3 TYR A 82 3.186 5.097 -1.348 1.00 0.75 H new ATOM 0 HD1 TYR A 82 2.894 6.727 -3.447 1.00 1.87 H new ATOM 0 HD2 TYR A 82 5.379 7.540 -0.020 1.00 2.17 H new ATOM 0 HE1 TYR A 82 4.386 8.118 -4.855 1.00 1.95 H new ATOM 0 HE2 TYR A 82 6.836 8.998 -1.415 1.00 2.23 H new ATOM 0 HH TYR A 82 7.272 9.756 -3.498 1.00 1.39 H new ATOM 1282 N HIS A 83 0.321 4.626 -0.876 1.00 0.67 N ATOM 1283 CA HIS A 83 -0.472 3.473 -0.447 1.00 0.71 C ATOM 1284 C HIS A 83 -0.771 2.498 -1.583 1.00 0.63 C ATOM 1285 O HIS A 83 -0.892 2.900 -2.742 1.00 0.56 O ATOM 1286 CB HIS A 83 -1.748 3.944 0.263 1.00 0.80 C ATOM 1287 CG HIS A 83 -2.667 4.768 -0.593 1.00 0.76 C ATOM 1288 ND1 HIS A 83 -2.548 6.117 -0.855 1.00 0.75 N ATOM 1289 CD2 HIS A 83 -3.717 4.288 -1.327 1.00 0.76 C ATOM 1290 CE1 HIS A 83 -3.491 6.437 -1.757 1.00 0.74 C ATOM 1291 NE2 HIS A 83 -4.239 5.359 -2.044 1.00 0.76 N ATOM 0 H HIS A 83 0.316 4.780 -1.884 1.00 0.67 H new ATOM 0 HA HIS A 83 0.130 2.908 0.265 1.00 0.71 H new ATOM 0 HB2 HIS A 83 -2.292 3.071 0.623 1.00 0.80 H new ATOM 0 HB3 HIS A 83 -1.467 4.528 1.139 1.00 0.80 H new ATOM 0 HD1 HIS A 83 -1.869 6.755 -0.440 1.00 0.75 H new ATOM 0 HD2 HIS A 83 -4.074 3.269 -1.346 1.00 0.76 H new ATOM 0 HE1 HIS A 83 -3.628 7.418 -2.188 1.00 0.74 H new ATOM 1299 N PHE A 84 -0.997 1.228 -1.245 1.00 0.73 N ATOM 1300 CA PHE A 84 -1.570 0.300 -2.211 1.00 0.75 C ATOM 1301 C PHE A 84 -3.077 0.543 -2.313 1.00 0.75 C ATOM 1302 O PHE A 84 -3.747 0.688 -1.295 1.00 0.78 O ATOM 1303 CB PHE A 84 -1.252 -1.144 -1.809 1.00 0.88 C ATOM 1304 CG PHE A 84 0.203 -1.508 -2.017 1.00 0.85 C ATOM 1305 CD1 PHE A 84 0.693 -1.641 -3.327 1.00 1.26 C ATOM 1306 CD2 PHE A 84 1.068 -1.701 -0.920 1.00 1.95 C ATOM 1307 CE1 PHE A 84 2.037 -1.967 -3.549 1.00 1.29 C ATOM 1308 CE2 PHE A 84 2.412 -2.053 -1.141 1.00 1.94 C ATOM 1309 CZ PHE A 84 2.891 -2.188 -2.456 1.00 0.86 C ATOM 0 H PHE A 84 -0.796 0.828 -0.329 1.00 0.73 H new ATOM 0 HA PHE A 84 -1.130 0.468 -3.194 1.00 0.75 H new ATOM 0 HB2 PHE A 84 -1.511 -1.289 -0.760 1.00 0.88 H new ATOM 0 HB3 PHE A 84 -1.877 -1.823 -2.389 1.00 0.88 H new ATOM 0 HD1 PHE A 84 0.030 -1.491 -4.167 1.00 1.26 H new ATOM 0 HD2 PHE A 84 0.699 -1.579 0.088 1.00 1.95 H new ATOM 0 HE1 PHE A 84 2.415 -2.048 -4.557 1.00 1.29 H new ATOM 0 HE2 PHE A 84 3.073 -2.219 -0.304 1.00 1.94 H new ATOM 0 HZ PHE A 84 3.921 -2.463 -2.627 1.00 0.86 H new ATOM 1319 N MET A 85 -3.624 0.562 -3.527 1.00 0.75 N ATOM 1320 CA MET A 85 -5.059 0.427 -3.797 1.00 0.76 C ATOM 1321 C MET A 85 -5.329 -1.030 -4.171 1.00 0.72 C ATOM 1322 O MET A 85 -4.593 -1.608 -4.968 1.00 0.75 O ATOM 1323 CB MET A 85 -5.522 1.360 -4.918 1.00 0.84 C ATOM 1324 CG MET A 85 -6.940 1.882 -4.621 1.00 0.80 C ATOM 1325 SD MET A 85 -7.005 3.194 -3.356 1.00 0.81 S ATOM 1326 CE MET A 85 -8.782 3.189 -2.952 1.00 0.75 C ATOM 0 H MET A 85 -3.068 0.675 -4.375 1.00 0.75 H new ATOM 0 HA MET A 85 -5.620 0.710 -2.906 1.00 0.76 H new ATOM 0 HB2 MET A 85 -4.831 2.197 -5.014 1.00 0.84 H new ATOM 0 HB3 MET A 85 -5.514 0.829 -5.870 1.00 0.84 H new ATOM 0 HG2 MET A 85 -7.376 2.262 -5.545 1.00 0.80 H new ATOM 0 HG3 MET A 85 -7.561 1.048 -4.295 1.00 0.80 H new ATOM 0 HE1 MET A 85 -8.984 3.941 -2.189 1.00 0.75 H new ATOM 0 HE2 MET A 85 -9.359 3.417 -3.848 1.00 0.75 H new ATOM 0 HE3 MET A 85 -9.067 2.206 -2.577 1.00 0.75 H new ATOM 1336 N LEU A 86 -6.361 -1.628 -3.590 1.00 0.68 N ATOM 1337 CA LEU A 86 -6.710 -3.036 -3.758 1.00 0.71 C ATOM 1338 C LEU A 86 -8.061 -3.114 -4.474 1.00 0.69 C ATOM 1339 O LEU A 86 -9.071 -2.688 -3.911 1.00 0.72 O ATOM 1340 CB LEU A 86 -6.798 -3.704 -2.368 1.00 0.76 C ATOM 1341 CG LEU A 86 -5.475 -4.118 -1.684 1.00 0.78 C ATOM 1342 CD1 LEU A 86 -4.501 -2.960 -1.420 1.00 0.78 C ATOM 1343 CD2 LEU A 86 -5.812 -4.785 -0.342 1.00 0.86 C ATOM 0 H LEU A 86 -7.000 -1.132 -2.969 1.00 0.68 H new ATOM 0 HA LEU A 86 -5.955 -3.555 -4.348 1.00 0.71 H new ATOM 0 HB2 LEU A 86 -7.321 -3.020 -1.700 1.00 0.76 H new ATOM 0 HB3 LEU A 86 -7.419 -4.594 -2.463 1.00 0.76 H new ATOM 0 HG LEU A 86 -4.969 -4.792 -2.376 1.00 0.78 H new ATOM 0 HD11 LEU A 86 -3.602 -3.344 -0.938 1.00 0.78 H new ATOM 0 HD12 LEU A 86 -4.233 -2.487 -2.365 1.00 0.78 H new ATOM 0 HD13 LEU A 86 -4.976 -2.226 -0.769 1.00 0.78 H new ATOM 0 HD21 LEU A 86 -4.890 -5.085 0.157 1.00 0.86 H new ATOM 0 HD22 LEU A 86 -6.353 -4.080 0.289 1.00 0.86 H new ATOM 0 HD23 LEU A 86 -6.432 -5.664 -0.518 1.00 0.86 H new ATOM 1355 N LEU A 87 -8.109 -3.666 -5.686 1.00 0.80 N ATOM 1356 CA LEU A 87 -9.358 -4.017 -6.361 1.00 0.73 C ATOM 1357 C LEU A 87 -9.395 -5.521 -6.657 1.00 0.90 C ATOM 1358 O LEU A 87 -8.362 -6.184 -6.790 1.00 1.12 O ATOM 1359 CB LEU A 87 -9.544 -3.205 -7.661 1.00 0.80 C ATOM 1360 CG LEU A 87 -9.715 -1.679 -7.502 1.00 1.09 C ATOM 1361 CD1 LEU A 87 -8.395 -0.908 -7.322 1.00 1.67 C ATOM 1362 CD2 LEU A 87 -10.422 -1.134 -8.751 1.00 1.61 C ATOM 0 H LEU A 87 -7.275 -3.884 -6.231 1.00 0.80 H new ATOM 0 HA LEU A 87 -10.183 -3.767 -5.694 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -8.682 -3.387 -8.303 1.00 0.80 H new ATOM 0 HB3 LEU A 87 -10.418 -3.594 -8.184 1.00 0.80 H new ATOM 0 HG LEU A 87 -10.294 -1.528 -6.591 1.00 1.09 H new ATOM 0 HD11 LEU A 87 -8.607 0.156 -7.218 1.00 1.67 H new ATOM 0 HD12 LEU A 87 -7.884 -1.266 -6.428 1.00 1.67 H new ATOM 0 HD13 LEU A 87 -7.759 -1.068 -8.192 1.00 1.67 H new ATOM 0 HD21 LEU A 87 -10.551 -0.056 -8.655 1.00 1.61 H new ATOM 0 HD22 LEU A 87 -9.820 -1.350 -9.633 1.00 1.61 H new ATOM 0 HD23 LEU A 87 -11.398 -1.608 -8.853 1.00 1.61 H new ATOM 1374 N GLY A 88 -10.607 -6.062 -6.785 1.00 0.90 N ATOM 1375 CA GLY A 88 -10.812 -7.471 -7.149 1.00 1.19 C ATOM 1376 C GLY A 88 -10.496 -8.424 -5.996 1.00 1.22 C ATOM 1377 O GLY A 88 -9.778 -9.408 -6.181 1.00 1.58 O ATOM 0 H GLY A 88 -11.472 -5.542 -6.641 1.00 0.90 H new ATOM 0 HA2 GLY A 88 -11.846 -7.615 -7.463 1.00 1.19 H new ATOM 0 HA3 GLY A 88 -10.182 -7.718 -8.004 1.00 1.19 H new ATOM 1381 N LEU A 89 -10.990 -8.096 -4.797 1.00 0.93 N ATOM 1382 CA LEU A 89 -10.989 -8.991 -3.641 1.00 0.82 C ATOM 1383 C LEU A 89 -11.621 -10.358 -3.912 1.00 1.03 C ATOM 1384 O LEU A 89 -12.466 -10.544 -4.784 1.00 1.45 O ATOM 1385 CB LEU A 89 -11.546 -8.309 -2.372 1.00 0.75 C ATOM 1386 CG LEU A 89 -12.820 -7.443 -2.502 1.00 0.93 C ATOM 1387 CD1 LEU A 89 -14.046 -8.252 -2.948 1.00 1.67 C ATOM 1388 CD2 LEU A 89 -13.120 -6.766 -1.160 1.00 1.27 C ATOM 0 H LEU A 89 -11.408 -7.186 -4.602 1.00 0.93 H new ATOM 0 HA LEU A 89 -9.939 -9.208 -3.443 1.00 0.82 H new ATOM 0 HB2 LEU A 89 -11.748 -9.089 -1.638 1.00 0.75 H new ATOM 0 HB3 LEU A 89 -10.757 -7.680 -1.960 1.00 0.75 H new ATOM 0 HG LEU A 89 -12.624 -6.699 -3.274 1.00 0.93 H new ATOM 0 HD11 LEU A 89 -14.910 -7.592 -3.022 1.00 1.67 H new ATOM 0 HD12 LEU A 89 -13.850 -8.703 -3.921 1.00 1.67 H new ATOM 0 HD13 LEU A 89 -14.250 -9.036 -2.219 1.00 1.67 H new ATOM 0 HD21 LEU A 89 -14.018 -6.156 -1.253 1.00 1.27 H new ATOM 0 HD22 LEU A 89 -13.276 -7.527 -0.395 1.00 1.27 H new ATOM 0 HD23 LEU A 89 -12.279 -6.133 -0.876 1.00 1.27 H new ATOM 1400 N LYS A 90 -11.155 -11.332 -3.138 1.00 0.93 N ATOM 1401 CA LYS A 90 -11.458 -12.760 -3.323 1.00 1.15 C ATOM 1402 C LYS A 90 -12.293 -13.353 -2.172 1.00 1.29 C ATOM 1403 O LYS A 90 -12.826 -14.458 -2.277 1.00 1.51 O ATOM 1404 CB LYS A 90 -10.136 -13.515 -3.528 1.00 1.11 C ATOM 1405 CG LYS A 90 -9.251 -12.961 -4.668 1.00 1.25 C ATOM 1406 CD LYS A 90 -9.951 -13.006 -6.033 1.00 1.43 C ATOM 1407 CE LYS A 90 -9.092 -12.434 -7.173 1.00 1.44 C ATOM 1408 NZ LYS A 90 -9.671 -12.738 -8.507 1.00 2.01 N ATOM 0 H LYS A 90 -10.541 -11.154 -2.343 1.00 0.93 H new ATOM 0 HA LYS A 90 -12.085 -12.873 -4.207 1.00 1.15 H new ATOM 0 HB2 LYS A 90 -9.568 -13.487 -2.598 1.00 1.11 H new ATOM 0 HB3 LYS A 90 -10.358 -14.562 -3.734 1.00 1.11 H new ATOM 0 HG2 LYS A 90 -8.973 -11.932 -4.440 1.00 1.25 H new ATOM 0 HG3 LYS A 90 -8.327 -13.537 -4.718 1.00 1.25 H new ATOM 0 HD2 LYS A 90 -10.212 -14.038 -6.266 1.00 1.43 H new ATOM 0 HD3 LYS A 90 -10.885 -12.446 -5.974 1.00 1.43 H new ATOM 0 HE2 LYS A 90 -9.002 -11.354 -7.053 1.00 1.44 H new ATOM 0 HE3 LYS A 90 -8.085 -12.847 -7.111 1.00 1.44 H new ATOM 0 HZ1 LYS A 90 -8.940 -13.160 -9.115 1.00 2.01 H new ATOM 0 HZ2 LYS A 90 -10.460 -13.407 -8.399 1.00 2.01 H new ATOM 0 HZ3 LYS A 90 -10.019 -11.860 -8.943 1.00 2.01 H new ATOM 1422 N ARG A 91 -12.418 -12.608 -1.067 1.00 1.27 N ATOM 1423 CA ARG A 91 -13.252 -12.899 0.110 1.00 1.50 C ATOM 1424 C ARG A 91 -13.783 -11.567 0.676 1.00 1.36 C ATOM 1425 O ARG A 91 -13.086 -10.561 0.526 1.00 1.27 O ATOM 1426 CB ARG A 91 -12.426 -13.605 1.204 1.00 1.81 C ATOM 1427 CG ARG A 91 -11.893 -14.991 0.799 1.00 2.72 C ATOM 1428 CD ARG A 91 -10.894 -15.566 1.811 1.00 3.01 C ATOM 1429 NE ARG A 91 -11.474 -15.815 3.146 1.00 2.93 N ATOM 1430 CZ ARG A 91 -12.188 -16.870 3.535 1.00 3.85 C ATOM 1431 NH1 ARG A 91 -12.616 -17.777 2.680 1.00 5.03 N ATOM 1432 NH2 ARG A 91 -12.485 -17.014 4.811 1.00 4.32 N ATOM 0 H ARG A 91 -11.908 -11.731 -0.962 1.00 1.27 H new ATOM 0 HA ARG A 91 -14.072 -13.552 -0.189 1.00 1.50 H new ATOM 0 HB2 ARG A 91 -11.583 -12.969 1.474 1.00 1.81 H new ATOM 0 HB3 ARG A 91 -13.043 -13.712 2.096 1.00 1.81 H new ATOM 0 HG2 ARG A 91 -12.731 -15.680 0.692 1.00 2.72 H new ATOM 0 HG3 ARG A 91 -11.413 -14.919 -0.177 1.00 2.72 H new ATOM 0 HD2 ARG A 91 -10.492 -16.501 1.420 1.00 3.01 H new ATOM 0 HD3 ARG A 91 -10.056 -14.876 1.912 1.00 3.01 H new ATOM 0 HE ARG A 91 -11.309 -15.097 3.851 1.00 2.93 H new ATOM 0 HH11 ARG A 91 -12.402 -17.683 1.687 1.00 5.03 H new ATOM 0 HH12 ARG A 91 -13.161 -18.573 3.011 1.00 5.03 H new ATOM 0 HH21 ARG A 91 -12.169 -16.321 5.490 1.00 4.32 H new ATOM 0 HH22 ARG A 91 -13.031 -17.818 5.120 1.00 4.32 H new ATOM 1446 N PRO A 92 -14.956 -11.538 1.338 1.00 1.49 N ATOM 1447 CA PRO A 92 -15.390 -10.386 2.121 1.00 1.55 C ATOM 1448 C PRO A 92 -14.488 -10.224 3.352 1.00 1.68 C ATOM 1449 O PRO A 92 -13.907 -11.201 3.833 1.00 2.11 O ATOM 1450 CB PRO A 92 -16.848 -10.669 2.495 1.00 1.80 C ATOM 1451 CG PRO A 92 -16.895 -12.194 2.568 1.00 1.95 C ATOM 1452 CD PRO A 92 -15.914 -12.629 1.476 1.00 1.74 C ATOM 0 HA PRO A 92 -15.318 -9.448 1.571 1.00 1.55 H new ATOM 0 HB2 PRO A 92 -17.116 -10.211 3.447 1.00 1.80 H new ATOM 0 HB3 PRO A 92 -17.539 -10.279 1.748 1.00 1.80 H new ATOM 0 HG2 PRO A 92 -16.592 -12.559 3.549 1.00 1.95 H new ATOM 0 HG3 PRO A 92 -17.899 -12.575 2.382 1.00 1.95 H new ATOM 0 HD2 PRO A 92 -15.412 -13.557 1.750 1.00 1.74 H new ATOM 0 HD3 PRO A 92 -16.434 -12.813 0.536 1.00 1.74 H new ATOM 1460 N LEU A 93 -14.393 -8.994 3.861 1.00 1.58 N ATOM 1461 CA LEU A 93 -13.436 -8.551 4.864 1.00 1.61 C ATOM 1462 C LEU A 93 -14.081 -7.461 5.720 1.00 1.41 C ATOM 1463 O LEU A 93 -14.913 -6.680 5.254 1.00 1.91 O ATOM 1464 CB LEU A 93 -12.114 -8.134 4.178 1.00 1.95 C ATOM 1465 CG LEU A 93 -12.195 -6.980 3.144 1.00 1.43 C ATOM 1466 CD1 LEU A 93 -11.975 -5.596 3.782 1.00 2.19 C ATOM 1467 CD2 LEU A 93 -11.135 -7.183 2.051 1.00 2.05 C ATOM 0 H LEU A 93 -15.017 -8.244 3.565 1.00 1.58 H new ATOM 0 HA LEU A 93 -13.168 -9.358 5.546 1.00 1.61 H new ATOM 0 HB2 LEU A 93 -11.405 -7.845 4.954 1.00 1.95 H new ATOM 0 HB3 LEU A 93 -11.700 -9.010 3.678 1.00 1.95 H new ATOM 0 HG LEU A 93 -13.201 -7.006 2.725 1.00 1.43 H new ATOM 0 HD11 LEU A 93 -12.042 -4.826 3.013 1.00 2.19 H new ATOM 0 HD12 LEU A 93 -12.738 -5.419 4.540 1.00 2.19 H new ATOM 0 HD13 LEU A 93 -10.989 -5.561 4.245 1.00 2.19 H new ATOM 0 HD21 LEU A 93 -11.197 -6.369 1.328 1.00 2.05 H new ATOM 0 HD22 LEU A 93 -10.143 -7.192 2.503 1.00 2.05 H new ATOM 0 HD23 LEU A 93 -11.311 -8.132 1.545 1.00 2.05 H new ATOM 1479 N LYS A 94 -13.748 -7.480 7.000 1.00 1.10 N ATOM 1480 CA LYS A 94 -14.400 -6.720 8.069 1.00 1.11 C ATOM 1481 C LYS A 94 -13.390 -5.907 8.885 1.00 1.01 C ATOM 1482 O LYS A 94 -12.182 -6.066 8.770 1.00 1.44 O ATOM 1483 CB LYS A 94 -15.127 -7.685 9.012 1.00 1.35 C ATOM 1484 CG LYS A 94 -16.137 -8.600 8.309 1.00 1.69 C ATOM 1485 CD LYS A 94 -16.524 -9.739 9.259 1.00 2.54 C ATOM 1486 CE LYS A 94 -16.740 -11.042 8.475 1.00 3.41 C ATOM 1487 NZ LYS A 94 -15.462 -11.548 7.908 1.00 3.88 N ATOM 0 H LYS A 94 -12.978 -8.053 7.345 1.00 1.10 H new ATOM 0 HA LYS A 94 -15.103 -6.030 7.602 1.00 1.11 H new ATOM 0 HB2 LYS A 94 -14.389 -8.302 9.524 1.00 1.35 H new ATOM 0 HB3 LYS A 94 -15.646 -7.108 9.777 1.00 1.35 H new ATOM 0 HG2 LYS A 94 -17.022 -8.033 8.021 1.00 1.69 H new ATOM 0 HG3 LYS A 94 -15.705 -9.004 7.393 1.00 1.69 H new ATOM 0 HD2 LYS A 94 -15.741 -9.881 10.004 1.00 2.54 H new ATOM 0 HD3 LYS A 94 -17.434 -9.477 9.799 1.00 2.54 H new ATOM 0 HE2 LYS A 94 -17.173 -11.797 9.131 1.00 3.41 H new ATOM 0 HE3 LYS A 94 -17.455 -10.871 7.670 1.00 3.41 H new ATOM 0 HZ1 LYS A 94 -15.665 -12.219 7.139 1.00 3.88 H new ATOM 0 HZ2 LYS A 94 -14.908 -10.751 7.535 1.00 3.88 H new ATOM 0 HZ3 LYS A 94 -14.918 -12.029 8.653 1.00 3.88 H new ATOM 1501 N ALA A 95 -13.910 -5.076 9.783 1.00 0.95 N ATOM 1502 CA ALA A 95 -13.106 -4.537 10.874 1.00 1.00 C ATOM 1503 C ALA A 95 -12.991 -5.610 11.964 1.00 1.08 C ATOM 1504 O ALA A 95 -13.997 -6.203 12.353 1.00 1.26 O ATOM 1505 CB ALA A 95 -13.728 -3.234 11.383 1.00 1.21 C ATOM 0 H ALA A 95 -14.881 -4.762 9.777 1.00 0.95 H new ATOM 0 HA ALA A 95 -12.099 -4.288 10.537 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -13.123 -2.836 12.198 1.00 1.21 H new ATOM 0 HB2 ALA A 95 -13.766 -2.508 10.571 1.00 1.21 H new ATOM 0 HB3 ALA A 95 -14.738 -3.429 11.743 1.00 1.21 H new ATOM 1511 N GLY A 96 -11.764 -5.858 12.420 1.00 1.08 N ATOM 1512 CA GLY A 96 -11.426 -6.887 13.411 1.00 1.29 C ATOM 1513 C GLY A 96 -11.107 -8.256 12.804 1.00 1.34 C ATOM 1514 O GLY A 96 -11.529 -9.272 13.349 1.00 1.81 O ATOM 0 H GLY A 96 -10.949 -5.333 12.102 1.00 1.08 H new ATOM 0 HA2 GLY A 96 -10.567 -6.550 13.991 1.00 1.29 H new ATOM 0 HA3 GLY A 96 -12.259 -6.994 14.106 1.00 1.29 H new ATOM 1518 N GLU A 97 -10.349 -8.275 11.704 1.00 1.15 N ATOM 1519 CA GLU A 97 -9.753 -9.489 11.114 1.00 1.26 C ATOM 1520 C GLU A 97 -8.249 -9.275 10.870 1.00 1.13 C ATOM 1521 O GLU A 97 -7.734 -8.193 11.144 1.00 0.97 O ATOM 1522 CB GLU A 97 -10.475 -9.883 9.808 1.00 1.35 C ATOM 1523 CG GLU A 97 -11.977 -10.096 10.050 1.00 1.62 C ATOM 1524 CD GLU A 97 -12.734 -10.778 8.910 1.00 1.44 C ATOM 1525 OE1 GLU A 97 -13.135 -10.105 7.933 1.00 1.86 O ATOM 1526 OE2 GLU A 97 -13.108 -11.963 9.061 1.00 2.37 O ATOM 0 H GLU A 97 -10.124 -7.428 11.182 1.00 1.15 H new ATOM 0 HA GLU A 97 -9.876 -10.312 11.818 1.00 1.26 H new ATOM 0 HB2 GLU A 97 -10.331 -9.104 9.060 1.00 1.35 H new ATOM 0 HB3 GLU A 97 -10.035 -10.796 9.407 1.00 1.35 H new ATOM 0 HG2 GLU A 97 -12.101 -10.692 10.954 1.00 1.62 H new ATOM 0 HG3 GLU A 97 -12.438 -9.127 10.241 1.00 1.62 H new ATOM 1533 N GLU A 98 -7.550 -10.264 10.306 1.00 1.27 N ATOM 1534 CA GLU A 98 -6.163 -10.212 9.880 1.00 1.16 C ATOM 1535 C GLU A 98 -6.088 -10.888 8.513 1.00 1.21 C ATOM 1536 O GLU A 98 -6.801 -11.850 8.223 1.00 1.48 O ATOM 1537 CB GLU A 98 -5.196 -10.905 10.855 1.00 1.33 C ATOM 1538 CG GLU A 98 -4.961 -10.128 12.155 1.00 3.05 C ATOM 1539 CD GLU A 98 -3.616 -10.513 12.768 1.00 3.76 C ATOM 1540 OE1 GLU A 98 -2.608 -9.910 12.334 1.00 4.99 O ATOM 1541 OE2 GLU A 98 -3.620 -11.416 13.634 1.00 3.82 O ATOM 0 H GLU A 98 -7.971 -11.176 10.127 1.00 1.27 H new ATOM 0 HA GLU A 98 -5.851 -9.168 9.844 1.00 1.16 H new ATOM 0 HB2 GLU A 98 -5.588 -11.892 11.099 1.00 1.33 H new ATOM 0 HB3 GLU A 98 -4.239 -11.056 10.356 1.00 1.33 H new ATOM 0 HG2 GLU A 98 -4.984 -9.057 11.955 1.00 3.05 H new ATOM 0 HG3 GLU A 98 -5.764 -10.338 12.862 1.00 3.05 H new ATOM 1548 N VAL A 99 -5.242 -10.316 7.672 1.00 1.07 N ATOM 1549 CA VAL A 99 -5.097 -10.551 6.229 1.00 1.09 C ATOM 1550 C VAL A 99 -3.655 -10.234 5.826 1.00 1.00 C ATOM 1551 O VAL A 99 -3.118 -9.206 6.231 1.00 1.10 O ATOM 1552 CB VAL A 99 -6.082 -9.653 5.432 1.00 1.23 C ATOM 1553 CG1 VAL A 99 -5.795 -9.655 3.919 1.00 1.38 C ATOM 1554 CG2 VAL A 99 -7.543 -10.091 5.641 1.00 1.44 C ATOM 0 H VAL A 99 -4.579 -9.614 8.001 1.00 1.07 H new ATOM 0 HA VAL A 99 -5.327 -11.592 6.003 1.00 1.09 H new ATOM 0 HB VAL A 99 -5.932 -8.646 5.821 1.00 1.23 H new ATOM 0 HG11 VAL A 99 -6.513 -9.011 3.412 1.00 1.38 H new ATOM 0 HG12 VAL A 99 -4.786 -9.285 3.740 1.00 1.38 H new ATOM 0 HG13 VAL A 99 -5.883 -10.671 3.533 1.00 1.38 H new ATOM 0 HG21 VAL A 99 -8.203 -9.440 5.068 1.00 1.44 H new ATOM 0 HG22 VAL A 99 -7.666 -11.120 5.304 1.00 1.44 H new ATOM 0 HG23 VAL A 99 -7.795 -10.023 6.699 1.00 1.44 H new ATOM 1564 N GLU A 100 -3.017 -11.092 5.025 1.00 0.99 N ATOM 1565 CA GLU A 100 -1.654 -10.831 4.549 1.00 1.10 C ATOM 1566 C GLU A 100 -1.586 -10.124 3.183 1.00 0.95 C ATOM 1567 O GLU A 100 -2.491 -10.221 2.348 1.00 0.94 O ATOM 1568 CB GLU A 100 -0.777 -12.092 4.592 1.00 1.56 C ATOM 1569 CG GLU A 100 -1.162 -13.205 3.617 1.00 1.28 C ATOM 1570 CD GLU A 100 0.003 -14.154 3.315 1.00 1.60 C ATOM 1571 OE1 GLU A 100 1.181 -13.882 3.661 1.00 2.87 O ATOM 1572 OE2 GLU A 100 -0.248 -15.134 2.584 1.00 1.80 O ATOM 0 H GLU A 100 -3.419 -11.969 4.694 1.00 0.99 H new ATOM 0 HA GLU A 100 -1.237 -10.116 5.258 1.00 1.10 H new ATOM 0 HB2 GLU A 100 0.254 -11.801 4.393 1.00 1.56 H new ATOM 0 HB3 GLU A 100 -0.804 -12.496 5.604 1.00 1.56 H new ATOM 0 HG2 GLU A 100 -1.992 -13.776 4.033 1.00 1.28 H new ATOM 0 HG3 GLU A 100 -1.515 -12.761 2.686 1.00 1.28 H new ATOM 1579 N LEU A 101 -0.454 -9.443 2.963 1.00 0.94 N ATOM 1580 CA LEU A 101 0.011 -8.934 1.668 1.00 0.84 C ATOM 1581 C LEU A 101 1.309 -9.632 1.242 1.00 0.79 C ATOM 1582 O LEU A 101 2.027 -10.203 2.062 1.00 0.99 O ATOM 1583 CB LEU A 101 0.198 -7.398 1.718 1.00 0.81 C ATOM 1584 CG LEU A 101 -0.973 -6.607 1.098 1.00 1.01 C ATOM 1585 CD1 LEU A 101 -2.225 -6.587 1.985 1.00 1.85 C ATOM 1586 CD2 LEU A 101 -0.539 -5.161 0.814 1.00 1.57 C ATOM 0 H LEU A 101 0.193 -9.222 3.720 1.00 0.94 H new ATOM 0 HA LEU A 101 -0.751 -9.157 0.921 1.00 0.84 H new ATOM 0 HB2 LEU A 101 0.323 -7.090 2.756 1.00 0.81 H new ATOM 0 HB3 LEU A 101 1.118 -7.136 1.195 1.00 0.81 H new ATOM 0 HG LEU A 101 -1.235 -7.121 0.173 1.00 1.01 H new ATOM 0 HD11 LEU A 101 -3.011 -6.015 1.492 1.00 1.85 H new ATOM 0 HD12 LEU A 101 -2.569 -7.608 2.152 1.00 1.85 H new ATOM 0 HD13 LEU A 101 -1.985 -6.124 2.942 1.00 1.85 H new ATOM 0 HD21 LEU A 101 -1.372 -4.610 0.377 1.00 1.57 H new ATOM 0 HD22 LEU A 101 -0.237 -4.682 1.745 1.00 1.57 H new ATOM 0 HD23 LEU A 101 0.300 -5.163 0.118 1.00 1.57 H new ATOM 1598 N ASP A 102 1.616 -9.515 -0.045 1.00 0.80 N ATOM 1599 CA ASP A 102 2.822 -9.932 -0.758 1.00 0.76 C ATOM 1600 C ASP A 102 3.418 -8.673 -1.419 1.00 0.66 C ATOM 1601 O ASP A 102 2.713 -7.986 -2.154 1.00 0.71 O ATOM 1602 CB ASP A 102 2.367 -10.888 -1.870 1.00 0.97 C ATOM 1603 CG ASP A 102 1.693 -12.192 -1.422 1.00 1.60 C ATOM 1604 OD1 ASP A 102 2.412 -13.139 -1.029 1.00 1.92 O ATOM 1605 OD2 ASP A 102 0.466 -12.320 -1.644 1.00 3.12 O ATOM 0 H ASP A 102 0.954 -9.078 -0.686 1.00 0.80 H new ATOM 0 HA ASP A 102 3.550 -10.406 -0.099 1.00 0.76 H new ATOM 0 HB2 ASP A 102 1.674 -10.351 -2.518 1.00 0.97 H new ATOM 0 HB3 ASP A 102 3.236 -11.144 -2.476 1.00 0.97 H new ATOM 1610 N LEU A 103 4.686 -8.330 -1.190 1.00 0.71 N ATOM 1611 CA LEU A 103 5.334 -7.160 -1.794 1.00 0.64 C ATOM 1612 C LEU A 103 6.272 -7.599 -2.921 1.00 0.67 C ATOM 1613 O LEU A 103 7.120 -8.463 -2.706 1.00 0.80 O ATOM 1614 CB LEU A 103 6.103 -6.374 -0.719 1.00 0.69 C ATOM 1615 CG LEU A 103 5.199 -5.473 0.144 1.00 0.78 C ATOM 1616 CD1 LEU A 103 4.414 -6.231 1.218 1.00 1.02 C ATOM 1617 CD2 LEU A 103 6.058 -4.413 0.841 1.00 1.01 C ATOM 0 H LEU A 103 5.301 -8.861 -0.573 1.00 0.71 H new ATOM 0 HA LEU A 103 4.571 -6.509 -2.220 1.00 0.64 H new ATOM 0 HB2 LEU A 103 6.628 -7.077 -0.071 1.00 0.69 H new ATOM 0 HB3 LEU A 103 6.862 -5.758 -1.202 1.00 0.69 H new ATOM 0 HG LEU A 103 4.473 -5.029 -0.538 1.00 0.78 H new ATOM 0 HD11 LEU A 103 3.801 -5.529 1.784 1.00 1.02 H new ATOM 0 HD12 LEU A 103 3.772 -6.973 0.744 1.00 1.02 H new ATOM 0 HD13 LEU A 103 5.109 -6.731 1.892 1.00 1.02 H new ATOM 0 HD21 LEU A 103 5.422 -3.774 1.453 1.00 1.01 H new ATOM 0 HD22 LEU A 103 6.797 -4.903 1.475 1.00 1.01 H new ATOM 0 HD23 LEU A 103 6.568 -3.807 0.092 1.00 1.01 H new ATOM 1629 N LEU A 104 6.130 -6.981 -4.103 1.00 0.62 N ATOM 1630 CA LEU A 104 6.892 -7.298 -5.312 1.00 0.65 C ATOM 1631 C LEU A 104 7.991 -6.250 -5.535 1.00 0.61 C ATOM 1632 O LEU A 104 7.731 -5.101 -5.914 1.00 0.53 O ATOM 1633 CB LEU A 104 5.935 -7.367 -6.521 1.00 0.66 C ATOM 1634 CG LEU A 104 4.760 -8.362 -6.408 1.00 0.70 C ATOM 1635 CD1 LEU A 104 4.002 -8.412 -7.741 1.00 0.71 C ATOM 1636 CD2 LEU A 104 5.199 -9.782 -6.017 1.00 0.90 C ATOM 0 H LEU A 104 5.461 -6.225 -4.244 1.00 0.62 H new ATOM 0 HA LEU A 104 7.374 -8.269 -5.195 1.00 0.65 H new ATOM 0 HB2 LEU A 104 5.525 -6.371 -6.690 1.00 0.66 H new ATOM 0 HB3 LEU A 104 6.518 -7.626 -7.405 1.00 0.66 H new ATOM 0 HG LEU A 104 4.116 -7.999 -5.607 1.00 0.70 H new ATOM 0 HD11 LEU A 104 3.172 -9.114 -7.662 1.00 0.71 H new ATOM 0 HD12 LEU A 104 3.616 -7.420 -7.978 1.00 0.71 H new ATOM 0 HD13 LEU A 104 4.678 -8.737 -8.532 1.00 0.71 H new ATOM 0 HD21 LEU A 104 4.324 -10.429 -5.955 1.00 0.90 H new ATOM 0 HD22 LEU A 104 5.886 -10.171 -6.769 1.00 0.90 H new ATOM 0 HD23 LEU A 104 5.699 -9.755 -5.049 1.00 0.90 H new ATOM 1648 N PHE A 105 9.236 -6.654 -5.314 1.00 0.72 N ATOM 1649 CA PHE A 105 10.418 -5.839 -5.587 1.00 0.61 C ATOM 1650 C PHE A 105 11.007 -6.187 -6.960 1.00 0.71 C ATOM 1651 O PHE A 105 10.838 -7.298 -7.474 1.00 1.02 O ATOM 1652 CB PHE A 105 11.426 -6.008 -4.446 1.00 0.61 C ATOM 1653 CG PHE A 105 10.870 -5.562 -3.108 1.00 0.61 C ATOM 1654 CD1 PHE A 105 11.023 -4.225 -2.695 1.00 1.89 C ATOM 1655 CD2 PHE A 105 10.178 -6.469 -2.280 1.00 1.83 C ATOM 1656 CE1 PHE A 105 10.537 -3.808 -1.446 1.00 1.94 C ATOM 1657 CE2 PHE A 105 9.680 -6.045 -1.038 1.00 1.79 C ATOM 1658 CZ PHE A 105 9.868 -4.719 -0.614 1.00 0.69 C ATOM 0 H PHE A 105 9.459 -7.574 -4.933 1.00 0.72 H new ATOM 0 HA PHE A 105 10.143 -4.785 -5.630 1.00 0.61 H new ATOM 0 HB2 PHE A 105 11.724 -7.054 -4.381 1.00 0.61 H new ATOM 0 HB3 PHE A 105 12.325 -5.434 -4.672 1.00 0.61 H new ATOM 0 HD1 PHE A 105 11.517 -3.516 -3.343 1.00 1.89 H new ATOM 0 HD2 PHE A 105 10.031 -7.490 -2.601 1.00 1.83 H new ATOM 0 HE1 PHE A 105 10.678 -2.786 -1.125 1.00 1.94 H new ATOM 0 HE2 PHE A 105 9.150 -6.741 -0.405 1.00 1.79 H new ATOM 0 HZ PHE A 105 9.499 -4.401 0.350 1.00 0.69 H new ATOM 1668 N ALA A 106 11.708 -5.218 -7.554 1.00 0.66 N ATOM 1669 CA ALA A 106 12.389 -5.382 -8.835 1.00 0.79 C ATOM 1670 C ALA A 106 13.299 -6.628 -8.828 1.00 1.33 C ATOM 1671 O ALA A 106 14.008 -6.881 -7.854 1.00 2.00 O ATOM 1672 CB ALA A 106 13.163 -4.094 -9.153 1.00 0.93 C ATOM 0 H ALA A 106 11.818 -4.287 -7.152 1.00 0.66 H new ATOM 0 HA ALA A 106 11.656 -5.550 -9.624 1.00 0.79 H new ATOM 0 HB1 ALA A 106 13.676 -4.204 -10.108 1.00 0.93 H new ATOM 0 HB2 ALA A 106 12.468 -3.256 -9.209 1.00 0.93 H new ATOM 0 HB3 ALA A 106 13.895 -3.906 -8.367 1.00 0.93 H new ATOM 1678 N GLY A 107 13.249 -7.413 -9.913 1.00 1.75 N ATOM 1679 CA GLY A 107 13.938 -8.708 -10.036 1.00 2.46 C ATOM 1680 C GLY A 107 13.069 -9.923 -9.684 1.00 2.12 C ATOM 1681 O GLY A 107 13.507 -11.050 -9.889 1.00 2.99 O ATOM 0 H GLY A 107 12.718 -7.162 -10.747 1.00 1.75 H new ATOM 0 HA2 GLY A 107 14.299 -8.818 -11.059 1.00 2.46 H new ATOM 0 HA3 GLY A 107 14.814 -8.703 -9.388 1.00 2.46 H new ATOM 1685 N GLY A 108 11.843 -9.709 -9.180 1.00 1.82 N ATOM 1686 CA GLY A 108 10.870 -10.775 -8.897 1.00 2.49 C ATOM 1687 C GLY A 108 10.846 -11.244 -7.442 1.00 2.42 C ATOM 1688 O GLY A 108 10.272 -12.288 -7.142 1.00 3.33 O ATOM 0 H GLY A 108 11.495 -8.777 -8.955 1.00 1.82 H new ATOM 0 HA2 GLY A 108 9.875 -10.422 -9.168 1.00 2.49 H new ATOM 0 HA3 GLY A 108 11.090 -11.629 -9.537 1.00 2.49 H new ATOM 1692 N LYS A 109 11.445 -10.498 -6.508 1.00 1.54 N ATOM 1693 CA LYS A 109 11.474 -10.886 -5.102 1.00 1.44 C ATOM 1694 C LYS A 109 10.127 -10.603 -4.422 1.00 1.41 C ATOM 1695 O LYS A 109 9.665 -9.465 -4.411 1.00 1.50 O ATOM 1696 CB LYS A 109 12.592 -10.113 -4.397 1.00 1.38 C ATOM 1697 CG LYS A 109 13.195 -10.896 -3.235 1.00 2.70 C ATOM 1698 CD LYS A 109 14.188 -10.006 -2.472 1.00 3.35 C ATOM 1699 CE LYS A 109 14.882 -10.784 -1.348 1.00 5.10 C ATOM 1700 NZ LYS A 109 15.844 -9.922 -0.613 1.00 6.11 N ATOM 0 H LYS A 109 11.918 -9.617 -6.707 1.00 1.54 H new ATOM 0 HA LYS A 109 11.661 -11.958 -5.034 1.00 1.44 H new ATOM 0 HB2 LYS A 109 13.375 -9.875 -5.117 1.00 1.38 H new ATOM 0 HB3 LYS A 109 12.199 -9.166 -4.028 1.00 1.38 H new ATOM 0 HG2 LYS A 109 12.406 -11.235 -2.564 1.00 2.70 H new ATOM 0 HG3 LYS A 109 13.702 -11.786 -3.608 1.00 2.70 H new ATOM 0 HD2 LYS A 109 14.936 -9.616 -3.163 1.00 3.35 H new ATOM 0 HD3 LYS A 109 13.663 -9.148 -2.053 1.00 3.35 H new ATOM 0 HE2 LYS A 109 14.135 -11.172 -0.656 1.00 5.10 H new ATOM 0 HE3 LYS A 109 15.406 -11.643 -1.767 1.00 5.10 H new ATOM 0 HZ1 LYS A 109 16.299 -10.474 0.142 1.00 6.11 H new ATOM 0 HZ2 LYS A 109 16.569 -9.572 -1.271 1.00 6.11 H new ATOM 0 HZ3 LYS A 109 15.338 -9.115 -0.195 1.00 6.11 H new ATOM 1714 N VAL A 110 9.575 -11.635 -3.792 1.00 1.43 N ATOM 1715 CA VAL A 110 8.339 -11.603 -2.994 1.00 1.42 C ATOM 1716 C VAL A 110 8.693 -11.557 -1.506 1.00 1.26 C ATOM 1717 O VAL A 110 9.501 -12.364 -1.039 1.00 1.39 O ATOM 1718 CB VAL A 110 7.420 -12.822 -3.259 1.00 1.74 C ATOM 1719 CG1 VAL A 110 6.104 -12.740 -2.460 1.00 2.73 C ATOM 1720 CG2 VAL A 110 7.080 -12.959 -4.753 1.00 1.70 C ATOM 0 H VAL A 110 9.992 -12.565 -3.821 1.00 1.43 H new ATOM 0 HA VAL A 110 7.790 -10.709 -3.291 1.00 1.42 H new ATOM 0 HB VAL A 110 7.981 -13.697 -2.931 1.00 1.74 H new ATOM 0 HG11 VAL A 110 5.491 -13.615 -2.677 1.00 2.73 H new ATOM 0 HG12 VAL A 110 6.327 -12.709 -1.394 1.00 2.73 H new ATOM 0 HG13 VAL A 110 5.562 -11.838 -2.744 1.00 2.73 H new ATOM 0 HG21 VAL A 110 6.434 -13.824 -4.901 1.00 1.70 H new ATOM 0 HG22 VAL A 110 6.566 -12.060 -5.093 1.00 1.70 H new ATOM 0 HG23 VAL A 110 7.999 -13.090 -5.325 1.00 1.70 H new ATOM 1730 N LEU A 111 8.066 -10.637 -0.769 1.00 1.09 N ATOM 1731 CA LEU A 111 8.101 -10.578 0.697 1.00 1.13 C ATOM 1732 C LEU A 111 6.670 -10.498 1.233 1.00 1.12 C ATOM 1733 O LEU A 111 5.979 -9.511 1.003 1.00 1.42 O ATOM 1734 CB LEU A 111 8.938 -9.357 1.127 1.00 1.17 C ATOM 1735 CG LEU A 111 9.042 -9.144 2.652 1.00 1.61 C ATOM 1736 CD1 LEU A 111 9.740 -10.322 3.352 1.00 2.13 C ATOM 1737 CD2 LEU A 111 9.806 -7.845 2.938 1.00 2.06 C ATOM 0 H LEU A 111 7.505 -9.893 -1.184 1.00 1.09 H new ATOM 0 HA LEU A 111 8.565 -11.474 1.109 1.00 1.13 H new ATOM 0 HB2 LEU A 111 9.944 -9.463 0.720 1.00 1.17 H new ATOM 0 HB3 LEU A 111 8.506 -8.462 0.679 1.00 1.17 H new ATOM 0 HG LEU A 111 8.029 -9.079 3.049 1.00 1.61 H new ATOM 0 HD11 LEU A 111 9.791 -10.130 4.424 1.00 2.13 H new ATOM 0 HD12 LEU A 111 9.175 -11.237 3.174 1.00 2.13 H new ATOM 0 HD13 LEU A 111 10.749 -10.435 2.955 1.00 2.13 H new ATOM 0 HD21 LEU A 111 9.879 -7.695 4.015 1.00 2.06 H new ATOM 0 HD22 LEU A 111 10.807 -7.910 2.512 1.00 2.06 H new ATOM 0 HD23 LEU A 111 9.275 -7.005 2.490 1.00 2.06 H new ATOM 1749 N LYS A 112 6.214 -11.529 1.952 1.00 1.00 N ATOM 1750 CA LYS A 112 4.825 -11.590 2.429 1.00 1.01 C ATOM 1751 C LYS A 112 4.662 -11.335 3.936 1.00 1.16 C ATOM 1752 O LYS A 112 5.426 -11.840 4.765 1.00 1.41 O ATOM 1753 CB LYS A 112 4.137 -12.853 1.905 1.00 1.14 C ATOM 1754 CG LYS A 112 4.725 -14.198 2.359 1.00 1.67 C ATOM 1755 CD LYS A 112 4.360 -15.352 1.403 1.00 2.14 C ATOM 1756 CE LYS A 112 2.906 -15.848 1.461 1.00 1.36 C ATOM 1757 NZ LYS A 112 1.917 -14.807 1.117 1.00 1.91 N ATOM 0 H LYS A 112 6.784 -12.332 2.217 1.00 1.00 H new ATOM 0 HA LYS A 112 4.291 -10.743 1.999 1.00 1.01 H new ATOM 0 HB2 LYS A 112 3.090 -12.820 2.207 1.00 1.14 H new ATOM 0 HB3 LYS A 112 4.156 -12.824 0.816 1.00 1.14 H new ATOM 0 HG2 LYS A 112 5.810 -14.114 2.425 1.00 1.67 H new ATOM 0 HG3 LYS A 112 4.362 -14.431 3.360 1.00 1.67 H new ATOM 0 HD2 LYS A 112 4.572 -15.032 0.383 1.00 2.14 H new ATOM 0 HD3 LYS A 112 5.018 -16.194 1.616 1.00 2.14 H new ATOM 0 HE2 LYS A 112 2.789 -16.689 0.778 1.00 1.36 H new ATOM 0 HE3 LYS A 112 2.697 -16.220 2.464 1.00 1.36 H new ATOM 0 HZ1 LYS A 112 0.958 -15.206 1.175 1.00 1.91 H new ATOM 0 HZ2 LYS A 112 2.003 -14.013 1.783 1.00 1.91 H new ATOM 0 HZ3 LYS A 112 2.092 -14.468 0.150 1.00 1.91 H new ATOM 1771 N VAL A 113 3.682 -10.505 4.287 1.00 1.07 N ATOM 1772 CA VAL A 113 3.604 -9.650 5.493 1.00 0.93 C ATOM 1773 C VAL A 113 2.179 -9.665 6.056 1.00 1.04 C ATOM 1774 O VAL A 113 1.258 -9.821 5.269 1.00 1.16 O ATOM 1775 CB VAL A 113 4.017 -8.200 5.155 1.00 0.91 C ATOM 1776 CG1 VAL A 113 5.529 -8.113 4.894 1.00 1.87 C ATOM 1777 CG2 VAL A 113 3.237 -7.604 3.976 1.00 2.11 C ATOM 0 H VAL A 113 2.855 -10.397 3.699 1.00 1.07 H new ATOM 0 HA VAL A 113 4.290 -10.045 6.242 1.00 0.93 H new ATOM 0 HB VAL A 113 3.764 -7.600 6.029 1.00 0.91 H new ATOM 0 HG11 VAL A 113 5.799 -7.084 4.658 1.00 1.87 H new ATOM 0 HG12 VAL A 113 6.071 -8.435 5.783 1.00 1.87 H new ATOM 0 HG13 VAL A 113 5.791 -8.758 4.056 1.00 1.87 H new ATOM 0 HG21 VAL A 113 3.577 -6.585 3.793 1.00 2.11 H new ATOM 0 HG22 VAL A 113 3.406 -8.209 3.085 1.00 2.11 H new ATOM 0 HG23 VAL A 113 2.173 -7.595 4.211 1.00 2.11 H new ATOM 1787 N VAL A 114 1.976 -9.543 7.377 1.00 1.11 N ATOM 1788 CA VAL A 114 0.666 -9.861 8.006 1.00 1.13 C ATOM 1789 C VAL A 114 0.072 -8.616 8.670 1.00 1.11 C ATOM 1790 O VAL A 114 0.749 -7.982 9.474 1.00 1.36 O ATOM 1791 CB VAL A 114 0.779 -11.018 9.030 1.00 1.37 C ATOM 1792 CG1 VAL A 114 -0.595 -11.400 9.601 1.00 1.69 C ATOM 1793 CG2 VAL A 114 1.392 -12.270 8.370 1.00 1.67 C ATOM 0 H VAL A 114 2.691 -9.230 8.034 1.00 1.11 H new ATOM 0 HA VAL A 114 -0.003 -10.192 7.212 1.00 1.13 H new ATOM 0 HB VAL A 114 1.421 -10.665 9.837 1.00 1.37 H new ATOM 0 HG11 VAL A 114 -0.478 -12.215 10.316 1.00 1.69 H new ATOM 0 HG12 VAL A 114 -1.033 -10.537 10.103 1.00 1.69 H new ATOM 0 HG13 VAL A 114 -1.250 -11.720 8.790 1.00 1.69 H new ATOM 0 HG21 VAL A 114 1.463 -13.071 9.106 1.00 1.67 H new ATOM 0 HG22 VAL A 114 0.759 -12.592 7.543 1.00 1.67 H new ATOM 0 HG23 VAL A 114 2.387 -12.033 7.995 1.00 1.67 H new ATOM 1803 N LEU A 115 -1.158 -8.244 8.297 1.00 0.92 N ATOM 1804 CA LEU A 115 -1.799 -6.972 8.657 1.00 0.89 C ATOM 1805 C LEU A 115 -3.199 -7.215 9.276 1.00 0.91 C ATOM 1806 O LEU A 115 -3.947 -8.053 8.756 1.00 1.05 O ATOM 1807 CB LEU A 115 -1.979 -6.107 7.393 1.00 1.05 C ATOM 1808 CG LEU A 115 -0.683 -5.694 6.666 1.00 1.09 C ATOM 1809 CD1 LEU A 115 -0.229 -6.714 5.614 1.00 2.23 C ATOM 1810 CD2 LEU A 115 -0.879 -4.357 5.947 1.00 2.25 C ATOM 0 H LEU A 115 -1.753 -8.837 7.719 1.00 0.92 H new ATOM 0 HA LEU A 115 -1.162 -6.468 9.383 1.00 0.89 H new ATOM 0 HB2 LEU A 115 -2.608 -6.653 6.690 1.00 1.05 H new ATOM 0 HB3 LEU A 115 -2.521 -5.203 7.670 1.00 1.05 H new ATOM 0 HG LEU A 115 0.080 -5.627 7.442 1.00 1.09 H new ATOM 0 HD11 LEU A 115 0.688 -6.364 5.140 1.00 2.23 H new ATOM 0 HD12 LEU A 115 -0.045 -7.675 6.095 1.00 2.23 H new ATOM 0 HD13 LEU A 115 -1.007 -6.829 4.859 1.00 2.23 H new ATOM 0 HD21 LEU A 115 0.044 -4.079 5.439 1.00 2.25 H new ATOM 0 HD22 LEU A 115 -1.682 -4.451 5.216 1.00 2.25 H new ATOM 0 HD23 LEU A 115 -1.139 -3.588 6.674 1.00 2.25 H new ATOM 1822 N PRO A 116 -3.624 -6.425 10.281 1.00 0.85 N ATOM 1823 CA PRO A 116 -5.015 -6.364 10.715 1.00 0.86 C ATOM 1824 C PRO A 116 -5.884 -5.568 9.738 1.00 0.83 C ATOM 1825 O PRO A 116 -5.420 -4.618 9.101 1.00 0.94 O ATOM 1826 CB PRO A 116 -4.981 -5.701 12.095 1.00 0.90 C ATOM 1827 CG PRO A 116 -3.765 -4.777 12.002 1.00 0.85 C ATOM 1828 CD PRO A 116 -2.800 -5.560 11.112 1.00 0.83 C ATOM 0 HA PRO A 116 -5.460 -7.358 10.753 1.00 0.86 H new ATOM 0 HB2 PRO A 116 -5.896 -5.145 12.298 1.00 0.90 H new ATOM 0 HB3 PRO A 116 -4.870 -6.435 12.893 1.00 0.90 H new ATOM 0 HG2 PRO A 116 -4.024 -3.813 11.565 1.00 0.85 H new ATOM 0 HG3 PRO A 116 -3.335 -4.577 12.983 1.00 0.85 H new ATOM 0 HD2 PRO A 116 -2.202 -4.886 10.499 1.00 0.83 H new ATOM 0 HD3 PRO A 116 -2.104 -6.145 11.713 1.00 0.83 H new ATOM 1836 N VAL A 117 -7.161 -5.945 9.651 1.00 0.74 N ATOM 1837 CA VAL A 117 -8.176 -5.228 8.869 1.00 0.71 C ATOM 1838 C VAL A 117 -9.048 -4.395 9.818 1.00 0.85 C ATOM 1839 O VAL A 117 -9.620 -4.932 10.765 1.00 0.91 O ATOM 1840 CB VAL A 117 -9.056 -6.185 8.039 1.00 0.68 C ATOM 1841 CG1 VAL A 117 -9.835 -5.378 6.983 1.00 0.81 C ATOM 1842 CG2 VAL A 117 -8.258 -7.271 7.306 1.00 0.82 C ATOM 0 H VAL A 117 -7.527 -6.769 10.128 1.00 0.74 H new ATOM 0 HA VAL A 117 -7.661 -4.576 8.163 1.00 0.71 H new ATOM 0 HB VAL A 117 -9.720 -6.680 8.748 1.00 0.68 H new ATOM 0 HG11 VAL A 117 -10.457 -6.053 6.396 1.00 0.81 H new ATOM 0 HG12 VAL A 117 -10.467 -4.642 7.481 1.00 0.81 H new ATOM 0 HG13 VAL A 117 -9.133 -4.867 6.325 1.00 0.81 H new ATOM 0 HG21 VAL A 117 -8.941 -7.907 6.743 1.00 0.82 H new ATOM 0 HG22 VAL A 117 -7.551 -6.803 6.621 1.00 0.82 H new ATOM 0 HG23 VAL A 117 -7.715 -7.876 8.032 1.00 0.82 H new ATOM 1852 N GLU A 118 -9.154 -3.086 9.577 1.00 0.99 N ATOM 1853 CA GLU A 118 -9.849 -2.123 10.444 1.00 1.10 C ATOM 1854 C GLU A 118 -10.419 -0.947 9.642 1.00 1.02 C ATOM 1855 O GLU A 118 -9.922 -0.618 8.566 1.00 1.13 O ATOM 1856 CB GLU A 118 -8.891 -1.556 11.495 1.00 1.36 C ATOM 1857 CG GLU A 118 -8.472 -2.537 12.592 1.00 2.03 C ATOM 1858 CD GLU A 118 -7.650 -1.756 13.604 1.00 2.70 C ATOM 1859 OE1 GLU A 118 -6.494 -1.417 13.284 1.00 3.57 O ATOM 1860 OE2 GLU A 118 -8.205 -1.301 14.622 1.00 3.53 O ATOM 0 H GLU A 118 -8.747 -2.651 8.749 1.00 0.99 H new ATOM 0 HA GLU A 118 -10.665 -2.665 10.923 1.00 1.10 H new ATOM 0 HB2 GLU A 118 -7.995 -1.196 10.990 1.00 1.36 H new ATOM 0 HB3 GLU A 118 -9.361 -0.691 11.963 1.00 1.36 H new ATOM 0 HG2 GLU A 118 -9.347 -2.980 13.067 1.00 2.03 H new ATOM 0 HG3 GLU A 118 -7.888 -3.357 12.173 1.00 2.03 H new ATOM 1867 N ALA A 119 -11.454 -0.279 10.160 1.00 1.26 N ATOM 1868 CA ALA A 119 -12.148 0.822 9.478 1.00 1.34 C ATOM 1869 C ALA A 119 -11.400 2.172 9.583 1.00 1.57 C ATOM 1870 O ALA A 119 -11.943 3.143 10.107 1.00 2.37 O ATOM 1871 CB ALA A 119 -13.585 0.869 10.026 1.00 1.75 C ATOM 0 H ALA A 119 -11.841 -0.490 11.080 1.00 1.26 H new ATOM 0 HA ALA A 119 -12.175 0.636 8.404 1.00 1.34 H new ATOM 0 HB1 ALA A 119 -14.133 1.677 9.541 1.00 1.75 H new ATOM 0 HB2 ALA A 119 -14.083 -0.079 9.824 1.00 1.75 H new ATOM 0 HB3 ALA A 119 -13.559 1.043 11.102 1.00 1.75 H new ATOM 1877 N ARG A 120 -10.159 2.221 9.085 1.00 2.07 N ATOM 1878 CA ARG A 120 -9.262 3.395 9.087 1.00 2.85 C ATOM 1879 C ARG A 120 -8.643 3.643 7.707 1.00 3.62 C ATOM 1880 O ARG A 120 -7.872 2.793 7.217 1.00 4.79 O ATOM 1881 CB ARG A 120 -8.200 3.277 10.209 1.00 3.93 C ATOM 1882 CG ARG A 120 -7.612 1.866 10.402 1.00 5.19 C ATOM 1883 CD ARG A 120 -6.303 1.854 11.216 1.00 6.77 C ATOM 1884 NE ARG A 120 -6.461 1.221 12.538 1.00 7.86 N ATOM 1885 CZ ARG A 120 -6.519 1.774 13.729 1.00 8.49 C ATOM 1886 NH1 ARG A 120 -6.353 3.052 13.914 1.00 8.35 N ATOM 1887 NH2 ARG A 120 -6.768 1.048 14.771 1.00 9.70 N ATOM 1888 OXT ARG A 120 -9.002 4.667 7.088 1.00 3.66 O ATOM 0 H ARG A 120 -9.727 1.407 8.648 1.00 2.07 H new ATOM 0 HA ARG A 120 -9.862 4.278 9.308 1.00 2.85 H new ATOM 0 HB2 ARG A 120 -7.385 3.967 9.992 1.00 3.93 H new ATOM 0 HB3 ARG A 120 -8.649 3.599 11.149 1.00 3.93 H new ATOM 0 HG2 ARG A 120 -8.349 1.239 10.904 1.00 5.19 H new ATOM 0 HG3 ARG A 120 -7.427 1.421 9.424 1.00 5.19 H new ATOM 0 HD2 ARG A 120 -5.535 1.324 10.653 1.00 6.77 H new ATOM 0 HD3 ARG A 120 -5.952 2.878 11.347 1.00 6.77 H new ATOM 0 HE ARG A 120 -6.536 0.204 12.527 1.00 7.86 H new ATOM 0 HH11 ARG A 120 -6.170 3.663 13.118 1.00 8.35 H new ATOM 0 HH12 ARG A 120 -6.406 3.442 14.855 1.00 8.35 H new ATOM 0 HH21 ARG A 120 -6.920 0.045 14.669 1.00 9.70 H new ATOM 0 HH22 ARG A 120 -6.813 1.479 15.694 1.00 9.70 H new