USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 541 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 25 GLN : amide:sc= -1.35 K(o=-0.27,f=-3.5!) USER MOD Set 1.2: A 60 THR OG1 : rot 103:sc= 1.08 USER MOD Set 2.1: A 26 HIS : no HE2:sc= -0.605 K(o=-0.54,f=-2.1) USER MOD Set 2.2: A 58 ASN :FLIP amide:sc= 0.0627 F(o=-1.7,f=-0.54) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -166:sc= 0 (180deg=-0.153) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00569 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00791 USER MOD Single : A 7 ASN : amide:sc= 0.489 K(o=0.49,f=-4.7!) USER MOD Single : A 13 ASN : amide:sc= 0.718 K(o=0.72,f=-6.9!) USER MOD Single : A 21 ASN : amide:sc= -0.763 K(o=-0.76,f=-2.6) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= 0.589 K(o=0.59,f=-4!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 51 CYS SG : rot 93:sc= 0.481 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.04) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= -0.0206 (180deg=-0.186) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 161:sc= -0.119 (180deg=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.060 5.974 -33.429 1.00 31.20 N ATOM 2 CA GLY A 1 14.834 6.196 -32.185 1.00 10.23 C ATOM 3 C GLY A 1 14.104 5.669 -30.971 1.00 51.44 C ATOM 4 O GLY A 1 12.956 5.225 -31.077 1.00 41.30 O ATOM 0 H1 GLY A 1 14.598 5.353 -34.067 1.00 31.20 H new ATOM 0 H2 GLY A 1 13.150 5.526 -33.197 1.00 31.20 H new ATOM 0 H3 GLY A 1 13.887 6.886 -33.898 1.00 31.20 H new ATOM 0 HA2 GLY A 1 15.804 5.706 -32.268 1.00 10.23 H new ATOM 0 HA3 GLY A 1 15.025 7.262 -32.061 1.00 10.23 H new ATOM 10 N SER A 2 14.767 5.700 -29.822 1.00 44.31 N ATOM 11 CA SER A 2 14.143 5.308 -28.570 1.00 51.41 C ATOM 12 C SER A 2 12.999 6.259 -28.228 1.00 3.41 C ATOM 13 O SER A 2 13.227 7.407 -27.836 1.00 33.54 O ATOM 14 CB SER A 2 15.176 5.308 -27.442 1.00 75.52 C ATOM 15 OG SER A 2 16.269 4.455 -27.743 1.00 2.30 O ATOM 0 H SER A 2 15.740 5.994 -29.734 1.00 44.31 H new ATOM 0 HA SER A 2 13.742 4.301 -28.683 1.00 51.41 H new ATOM 0 HB2 SER A 2 15.538 6.323 -27.278 1.00 75.52 H new ATOM 0 HB3 SER A 2 14.704 4.984 -26.514 1.00 75.52 H new ATOM 0 HG SER A 2 16.914 4.477 -27.005 1.00 2.30 H new ATOM 21 N HIS A 3 11.773 5.791 -28.410 1.00 30.40 N ATOM 22 CA HIS A 3 10.597 6.581 -28.073 1.00 72.41 C ATOM 23 C HIS A 3 10.453 6.663 -26.556 1.00 50.22 C ATOM 24 O HIS A 3 10.017 5.711 -25.909 1.00 32.52 O ATOM 25 CB HIS A 3 9.345 5.968 -28.713 1.00 44.24 C ATOM 26 CG HIS A 3 8.088 6.760 -28.497 1.00 22.24 C ATOM 27 ND1 HIS A 3 6.839 6.183 -28.443 1.00 21.41 N ATOM 28 CD2 HIS A 3 7.890 8.090 -28.337 1.00 61.01 C ATOM 29 CE1 HIS A 3 5.930 7.119 -28.257 1.00 61.52 C ATOM 30 NE2 HIS A 3 6.540 8.286 -28.188 1.00 75.34 N ATOM 0 H HIS A 3 11.566 4.867 -28.790 1.00 30.40 H new ATOM 0 HA HIS A 3 10.714 7.591 -28.466 1.00 72.41 H new ATOM 0 HB2 HIS A 3 9.514 5.862 -29.785 1.00 44.24 H new ATOM 0 HB3 HIS A 3 9.201 4.964 -28.313 1.00 44.24 H new ATOM 0 HD2 HIS A 3 8.653 8.854 -28.328 1.00 61.01 H new ATOM 0 HE1 HIS A 3 4.865 6.957 -28.175 1.00 61.52 H new ATOM 0 HE2 HIS A 3 6.083 9.187 -28.047 1.00 75.34 H new ATOM 39 N MET A 4 10.838 7.800 -25.997 1.00 3.32 N ATOM 40 CA MET A 4 10.862 7.971 -24.552 1.00 2.41 C ATOM 41 C MET A 4 9.698 8.833 -24.082 1.00 55.24 C ATOM 42 O MET A 4 9.081 9.555 -24.869 1.00 31.15 O ATOM 43 CB MET A 4 12.183 8.604 -24.105 1.00 71.04 C ATOM 44 CG MET A 4 13.405 7.742 -24.378 1.00 71.13 C ATOM 45 SD MET A 4 14.929 8.497 -23.774 1.00 63.41 S ATOM 46 CE MET A 4 16.140 7.254 -24.221 1.00 35.41 C ATOM 0 H MET A 4 11.139 8.620 -26.523 1.00 3.32 H new ATOM 0 HA MET A 4 10.768 6.983 -24.102 1.00 2.41 H new ATOM 0 HB2 MET A 4 12.305 9.561 -24.612 1.00 71.04 H new ATOM 0 HB3 MET A 4 12.130 8.814 -23.037 1.00 71.04 H new ATOM 0 HG2 MET A 4 13.273 6.769 -23.905 1.00 71.13 H new ATOM 0 HG3 MET A 4 13.490 7.566 -25.450 1.00 71.13 H new ATOM 0 HE1 MET A 4 17.077 7.455 -23.701 1.00 35.41 H new ATOM 0 HE2 MET A 4 15.772 6.268 -23.937 1.00 35.41 H new ATOM 0 HE3 MET A 4 16.309 7.281 -25.297 1.00 35.41 H new ATOM 56 N SER A 5 9.398 8.740 -22.798 1.00 72.44 N ATOM 57 CA SER A 5 8.358 9.549 -22.187 1.00 62.14 C ATOM 58 C SER A 5 8.707 9.823 -20.728 1.00 41.42 C ATOM 59 O SER A 5 8.336 9.054 -19.841 1.00 73.33 O ATOM 60 CB SER A 5 6.999 8.847 -22.284 1.00 23.11 C ATOM 61 OG SER A 5 6.667 8.563 -23.634 1.00 55.22 O ATOM 0 H SER A 5 9.866 8.104 -22.152 1.00 72.44 H new ATOM 0 HA SER A 5 8.292 10.496 -22.723 1.00 62.14 H new ATOM 0 HB2 SER A 5 7.022 7.921 -21.709 1.00 23.11 H new ATOM 0 HB3 SER A 5 6.228 9.477 -21.841 1.00 23.11 H new ATOM 0 HG SER A 5 5.797 8.114 -23.669 1.00 55.22 H new ATOM 67 N THR A 6 9.460 10.893 -20.495 1.00 40.04 N ATOM 68 CA THR A 6 9.860 11.270 -19.146 1.00 24.21 C ATOM 69 C THR A 6 8.631 11.580 -18.290 1.00 14.44 C ATOM 70 O THR A 6 8.500 11.100 -17.165 1.00 35.34 O ATOM 71 CB THR A 6 10.782 12.500 -19.177 1.00 73.13 C ATOM 72 OG1 THR A 6 11.713 12.377 -20.259 1.00 12.14 O ATOM 73 CG2 THR A 6 11.545 12.650 -17.868 1.00 54.50 C ATOM 0 H THR A 6 9.806 11.515 -21.226 1.00 40.04 H new ATOM 0 HA THR A 6 10.400 10.430 -18.709 1.00 24.21 H new ATOM 0 HB THR A 6 10.162 13.385 -19.317 1.00 73.13 H new ATOM 0 HG1 THR A 6 12.298 13.163 -20.278 1.00 12.14 H new ATOM 0 HG21 THR A 6 12.188 13.528 -17.920 1.00 54.50 H new ATOM 0 HG22 THR A 6 10.838 12.766 -17.046 1.00 54.50 H new ATOM 0 HG23 THR A 6 12.155 11.763 -17.699 1.00 54.50 H new ATOM 81 N ASN A 7 7.733 12.395 -18.830 1.00 21.12 N ATOM 82 CA ASN A 7 6.467 12.673 -18.167 1.00 5.45 C ATOM 83 C ASN A 7 5.312 12.250 -19.068 1.00 71.11 C ATOM 84 O ASN A 7 5.338 12.493 -20.276 1.00 71.44 O ATOM 85 CB ASN A 7 6.337 14.160 -17.789 1.00 2.25 C ATOM 86 CG ASN A 7 6.039 15.066 -18.972 1.00 64.14 C ATOM 87 OD1 ASN A 7 4.879 15.262 -19.338 1.00 33.10 O ATOM 88 ND2 ASN A 7 7.076 15.640 -19.564 1.00 14.13 N ATOM 0 H ASN A 7 7.858 12.873 -19.722 1.00 21.12 H new ATOM 0 HA ASN A 7 6.435 12.098 -17.241 1.00 5.45 H new ATOM 0 HB2 ASN A 7 5.544 14.270 -17.049 1.00 2.25 H new ATOM 0 HB3 ASN A 7 7.262 14.488 -17.315 1.00 2.25 H new ATOM 0 HD21 ASN A 7 6.929 16.270 -20.353 1.00 14.13 H new ATOM 0 HD22 ASN A 7 8.022 15.452 -19.231 1.00 14.13 H new ATOM 95 N PRO A 8 4.301 11.579 -18.505 1.00 32.14 N ATOM 96 CA PRO A 8 3.106 11.190 -19.244 1.00 3.51 C ATOM 97 C PRO A 8 2.018 12.261 -19.198 1.00 72.03 C ATOM 98 O PRO A 8 0.886 12.030 -19.619 1.00 13.12 O ATOM 99 CB PRO A 8 2.657 9.937 -18.498 1.00 60.32 C ATOM 100 CG PRO A 8 3.058 10.180 -17.079 1.00 2.35 C ATOM 101 CD PRO A 8 4.258 11.099 -17.109 1.00 35.24 C ATOM 0 HA PRO A 8 3.299 11.038 -20.306 1.00 3.51 H new ATOM 0 HB2 PRO A 8 1.581 9.787 -18.586 1.00 60.32 H new ATOM 0 HB3 PRO A 8 3.137 9.044 -18.898 1.00 60.32 H new ATOM 0 HG2 PRO A 8 2.240 10.633 -16.519 1.00 2.35 H new ATOM 0 HG3 PRO A 8 3.303 9.242 -16.582 1.00 2.35 H new ATOM 0 HD2 PRO A 8 4.147 11.924 -16.406 1.00 35.24 H new ATOM 0 HD3 PRO A 8 5.173 10.571 -16.839 1.00 35.24 H new ATOM 109 N PHE A 9 2.376 13.436 -18.695 1.00 64.42 N ATOM 110 CA PHE A 9 1.415 14.517 -18.507 1.00 65.22 C ATOM 111 C PHE A 9 1.233 15.313 -19.794 1.00 52.40 C ATOM 112 O PHE A 9 0.155 15.850 -20.053 1.00 1.13 O ATOM 113 CB PHE A 9 1.877 15.450 -17.383 1.00 74.45 C ATOM 114 CG PHE A 9 2.127 14.749 -16.080 1.00 53.32 C ATOM 115 CD1 PHE A 9 1.072 14.346 -15.280 1.00 55.12 C ATOM 116 CD2 PHE A 9 3.419 14.487 -15.659 1.00 14.23 C ATOM 117 CE1 PHE A 9 1.301 13.695 -14.082 1.00 3.35 C ATOM 118 CE2 PHE A 9 3.655 13.835 -14.465 1.00 51.32 C ATOM 119 CZ PHE A 9 2.595 13.438 -13.675 1.00 24.54 C ATOM 0 H PHE A 9 3.328 13.665 -18.409 1.00 64.42 H new ATOM 0 HA PHE A 9 0.458 14.073 -18.234 1.00 65.22 H new ATOM 0 HB2 PHE A 9 2.791 15.955 -17.695 1.00 74.45 H new ATOM 0 HB3 PHE A 9 1.123 16.222 -17.231 1.00 74.45 H new ATOM 0 HD1 PHE A 9 0.058 14.542 -15.595 1.00 55.12 H new ATOM 0 HD2 PHE A 9 4.253 14.796 -16.272 1.00 14.23 H new ATOM 0 HE1 PHE A 9 0.469 13.388 -13.466 1.00 3.35 H new ATOM 0 HE2 PHE A 9 4.668 13.636 -14.149 1.00 51.32 H new ATOM 0 HZ PHE A 9 2.777 12.928 -12.741 1.00 24.54 H new ATOM 129 N ASP A 10 2.307 15.384 -20.587 1.00 53.22 N ATOM 130 CA ASP A 10 2.321 16.106 -21.868 1.00 14.33 C ATOM 131 C ASP A 10 2.341 17.616 -21.676 1.00 73.42 C ATOM 132 O ASP A 10 3.192 18.303 -22.246 1.00 2.11 O ATOM 133 CB ASP A 10 1.140 15.725 -22.763 1.00 13.04 C ATOM 134 CG ASP A 10 1.056 16.604 -24.000 1.00 73.13 C ATOM 135 OD1 ASP A 10 1.857 16.396 -24.941 1.00 23.45 O ATOM 136 OD2 ASP A 10 0.197 17.512 -24.036 1.00 30.21 O ATOM 0 H ASP A 10 3.197 14.941 -20.359 1.00 53.22 H new ATOM 0 HA ASP A 10 3.244 15.803 -22.363 1.00 14.33 H new ATOM 0 HB2 ASP A 10 1.236 14.682 -23.065 1.00 13.04 H new ATOM 0 HB3 ASP A 10 0.213 15.808 -22.195 1.00 13.04 H new ATOM 141 N ASP A 11 1.405 18.138 -20.893 1.00 31.23 N ATOM 142 CA ASP A 11 1.317 19.576 -20.679 1.00 35.51 C ATOM 143 C ASP A 11 2.405 20.044 -19.722 1.00 71.44 C ATOM 144 O ASP A 11 2.174 20.254 -18.530 1.00 54.05 O ATOM 145 CB ASP A 11 -0.066 19.982 -20.161 1.00 61.34 C ATOM 146 CG ASP A 11 -0.255 21.488 -20.167 1.00 53.53 C ATOM 147 OD1 ASP A 11 -0.520 22.053 -21.252 1.00 3.52 O ATOM 148 OD2 ASP A 11 -0.142 22.116 -19.099 1.00 42.35 O ATOM 0 H ASP A 11 0.700 17.591 -20.399 1.00 31.23 H new ATOM 0 HA ASP A 11 1.467 20.063 -21.642 1.00 35.51 H new ATOM 0 HB2 ASP A 11 -0.835 19.518 -20.778 1.00 61.34 H new ATOM 0 HB3 ASP A 11 -0.199 19.604 -19.147 1.00 61.34 H new ATOM 153 N ASP A 12 3.609 20.130 -20.257 1.00 65.11 N ATOM 154 CA ASP A 12 4.739 20.706 -19.557 1.00 24.13 C ATOM 155 C ASP A 12 4.949 22.105 -20.104 1.00 30.20 C ATOM 156 O ASP A 12 5.536 22.278 -21.174 1.00 73.51 O ATOM 157 CB ASP A 12 5.987 19.846 -19.779 1.00 60.44 C ATOM 158 CG ASP A 12 7.137 20.191 -18.851 1.00 73.13 C ATOM 159 OD1 ASP A 12 7.408 21.389 -18.631 1.00 41.33 O ATOM 160 OD2 ASP A 12 7.795 19.251 -18.354 1.00 30.44 O ATOM 0 H ASP A 12 3.830 19.799 -21.196 1.00 65.11 H new ATOM 0 HA ASP A 12 4.551 20.746 -18.484 1.00 24.13 H new ATOM 0 HB2 ASP A 12 5.724 18.797 -19.643 1.00 60.44 H new ATOM 0 HB3 ASP A 12 6.318 19.960 -20.811 1.00 60.44 H new ATOM 165 N ASN A 13 4.419 23.095 -19.404 1.00 24.34 N ATOM 166 CA ASN A 13 4.368 24.452 -19.935 1.00 3.22 C ATOM 167 C ASN A 13 5.044 25.433 -18.981 1.00 11.43 C ATOM 168 O ASN A 13 5.382 25.078 -17.848 1.00 23.33 O ATOM 169 CB ASN A 13 2.908 24.863 -20.169 1.00 25.12 C ATOM 170 CG ASN A 13 2.741 25.857 -21.307 1.00 32.43 C ATOM 171 OD1 ASN A 13 3.638 26.644 -21.610 1.00 55.12 O ATOM 172 ND2 ASN A 13 1.581 25.833 -21.942 1.00 12.21 N ATOM 0 H ASN A 13 4.019 22.988 -18.472 1.00 24.34 H new ATOM 0 HA ASN A 13 4.905 24.475 -20.883 1.00 3.22 H new ATOM 0 HB2 ASN A 13 2.317 23.973 -20.383 1.00 25.12 H new ATOM 0 HB3 ASN A 13 2.509 25.299 -19.253 1.00 25.12 H new ATOM 0 HD21 ASN A 13 1.407 26.481 -22.710 1.00 12.21 H new ATOM 0 HD22 ASN A 13 0.861 25.167 -21.663 1.00 12.21 H new ATOM 179 N GLY A 14 5.241 26.658 -19.449 1.00 51.13 N ATOM 180 CA GLY A 14 5.885 27.675 -18.647 1.00 21.14 C ATOM 181 C GLY A 14 7.390 27.617 -18.774 1.00 35.24 C ATOM 182 O GLY A 14 7.919 27.264 -19.832 1.00 24.13 O ATOM 0 H GLY A 14 4.962 26.966 -20.380 1.00 51.13 H new ATOM 0 HA2 GLY A 14 5.531 28.659 -18.955 1.00 21.14 H new ATOM 0 HA3 GLY A 14 5.603 27.547 -17.602 1.00 21.14 H new ATOM 186 N ALA A 15 8.079 27.960 -17.701 1.00 10.03 N ATOM 187 CA ALA A 15 9.527 27.895 -17.676 1.00 40.42 C ATOM 188 C ALA A 15 9.986 26.634 -16.963 1.00 10.11 C ATOM 189 O ALA A 15 9.209 25.988 -16.259 1.00 53.33 O ATOM 190 CB ALA A 15 10.109 29.130 -17.007 1.00 42.14 C ATOM 0 H ALA A 15 7.656 28.288 -16.833 1.00 10.03 H new ATOM 0 HA ALA A 15 9.889 27.864 -18.704 1.00 40.42 H new ATOM 0 HB1 ALA A 15 11.197 29.061 -16.999 1.00 42.14 H new ATOM 0 HB2 ALA A 15 9.806 30.020 -17.559 1.00 42.14 H new ATOM 0 HB3 ALA A 15 9.742 29.196 -15.983 1.00 42.14 H new ATOM 196 N PHE A 16 11.248 26.300 -17.141 1.00 2.14 N ATOM 197 CA PHE A 16 11.822 25.085 -16.586 1.00 60.34 C ATOM 198 C PHE A 16 13.272 25.337 -16.215 1.00 23.33 C ATOM 199 O PHE A 16 13.957 26.114 -16.877 1.00 2.33 O ATOM 200 CB PHE A 16 11.712 23.941 -17.607 1.00 41.43 C ATOM 201 CG PHE A 16 11.781 24.425 -19.023 1.00 42.52 C ATOM 202 CD1 PHE A 16 12.942 24.978 -19.519 1.00 52.44 C ATOM 203 CD2 PHE A 16 10.671 24.361 -19.849 1.00 61.53 C ATOM 204 CE1 PHE A 16 12.997 25.456 -20.803 1.00 24.33 C ATOM 205 CE2 PHE A 16 10.724 24.832 -21.141 1.00 23.23 C ATOM 206 CZ PHE A 16 11.888 25.387 -21.618 1.00 4.31 C ATOM 0 H PHE A 16 11.909 26.864 -17.676 1.00 2.14 H new ATOM 0 HA PHE A 16 11.275 24.797 -15.689 1.00 60.34 H new ATOM 0 HB2 PHE A 16 12.515 23.224 -17.432 1.00 41.43 H new ATOM 0 HB3 PHE A 16 10.772 23.411 -17.453 1.00 41.43 H new ATOM 0 HD1 PHE A 16 13.818 25.035 -18.890 1.00 52.44 H new ATOM 0 HD2 PHE A 16 9.752 23.936 -19.474 1.00 61.53 H new ATOM 0 HE1 PHE A 16 13.913 25.888 -21.177 1.00 24.33 H new ATOM 0 HE2 PHE A 16 9.854 24.766 -21.778 1.00 23.23 H new ATOM 0 HZ PHE A 16 11.933 25.767 -22.628 1.00 4.31 H new ATOM 216 N PHE A 17 13.725 24.703 -15.153 1.00 3.34 N ATOM 217 CA PHE A 17 15.088 24.884 -14.682 1.00 51.42 C ATOM 218 C PHE A 17 15.826 23.553 -14.661 1.00 72.30 C ATOM 219 O PHE A 17 15.206 22.486 -14.600 1.00 3.33 O ATOM 220 CB PHE A 17 15.103 25.477 -13.266 1.00 31.34 C ATOM 221 CG PHE A 17 14.867 26.964 -13.183 1.00 30.40 C ATOM 222 CD1 PHE A 17 13.889 27.583 -13.940 1.00 64.43 C ATOM 223 CD2 PHE A 17 15.636 27.741 -12.330 1.00 72.20 C ATOM 224 CE1 PHE A 17 13.680 28.947 -13.849 1.00 12.45 C ATOM 225 CE2 PHE A 17 15.432 29.105 -12.234 1.00 73.11 C ATOM 226 CZ PHE A 17 14.452 29.707 -12.996 1.00 52.41 C ATOM 0 H PHE A 17 13.169 24.055 -14.596 1.00 3.34 H new ATOM 0 HA PHE A 17 15.585 25.571 -15.368 1.00 51.42 H new ATOM 0 HB2 PHE A 17 14.342 24.972 -12.671 1.00 31.34 H new ATOM 0 HB3 PHE A 17 16.066 25.253 -12.807 1.00 31.34 H new ATOM 0 HD1 PHE A 17 13.281 26.994 -14.611 1.00 64.43 H new ATOM 0 HD2 PHE A 17 16.405 27.274 -11.732 1.00 72.20 H new ATOM 0 HE1 PHE A 17 12.912 29.417 -14.446 1.00 12.45 H new ATOM 0 HE2 PHE A 17 16.038 29.697 -11.565 1.00 73.11 H new ATOM 0 HZ PHE A 17 14.290 30.772 -12.924 1.00 52.41 H new ATOM 236 N VAL A 18 17.150 23.619 -14.707 1.00 4.01 N ATOM 237 CA VAL A 18 17.973 22.435 -14.530 1.00 72.22 C ATOM 238 C VAL A 18 18.306 22.279 -13.054 1.00 33.02 C ATOM 239 O VAL A 18 19.231 22.913 -12.534 1.00 72.11 O ATOM 240 CB VAL A 18 19.275 22.508 -15.357 1.00 32.12 C ATOM 241 CG1 VAL A 18 20.092 21.232 -15.198 1.00 55.43 C ATOM 242 CG2 VAL A 18 18.962 22.760 -16.822 1.00 12.33 C ATOM 0 H VAL A 18 17.674 24.480 -14.865 1.00 4.01 H new ATOM 0 HA VAL A 18 17.410 21.572 -14.885 1.00 72.22 H new ATOM 0 HB VAL A 18 19.869 23.341 -14.981 1.00 32.12 H new ATOM 0 HG11 VAL A 18 21.004 21.308 -15.790 1.00 55.43 H new ATOM 0 HG12 VAL A 18 20.351 21.094 -14.148 1.00 55.43 H new ATOM 0 HG13 VAL A 18 19.506 20.380 -15.542 1.00 55.43 H new ATOM 0 HG21 VAL A 18 19.891 22.808 -17.390 1.00 12.33 H new ATOM 0 HG22 VAL A 18 18.344 21.949 -17.207 1.00 12.33 H new ATOM 0 HG23 VAL A 18 18.426 23.704 -16.922 1.00 12.33 H new ATOM 252 N LEU A 19 17.535 21.436 -12.386 1.00 51.11 N ATOM 253 CA LEU A 19 17.617 21.291 -10.945 1.00 23.23 C ATOM 254 C LEU A 19 18.431 20.054 -10.587 1.00 33.24 C ATOM 255 O LEU A 19 18.300 19.010 -11.223 1.00 54.22 O ATOM 256 CB LEU A 19 16.204 21.183 -10.357 1.00 53.14 C ATOM 257 CG LEU A 19 16.070 21.560 -8.880 1.00 54.41 C ATOM 258 CD1 LEU A 19 16.352 23.043 -8.683 1.00 73.41 C ATOM 259 CD2 LEU A 19 14.684 21.205 -8.360 1.00 25.42 C ATOM 0 H LEU A 19 16.838 20.836 -12.827 1.00 51.11 H new ATOM 0 HA LEU A 19 18.113 22.166 -10.525 1.00 23.23 H new ATOM 0 HB2 LEU A 19 15.539 21.822 -10.938 1.00 53.14 H new ATOM 0 HB3 LEU A 19 15.854 20.159 -10.485 1.00 53.14 H new ATOM 0 HG LEU A 19 16.804 20.990 -8.311 1.00 54.41 H new ATOM 0 HD11 LEU A 19 16.253 23.295 -7.627 1.00 73.41 H new ATOM 0 HD12 LEU A 19 17.365 23.268 -9.016 1.00 73.41 H new ATOM 0 HD13 LEU A 19 15.640 23.629 -9.265 1.00 73.41 H new ATOM 0 HD21 LEU A 19 14.608 21.481 -7.308 1.00 25.42 H new ATOM 0 HD22 LEU A 19 13.931 21.747 -8.932 1.00 25.42 H new ATOM 0 HD23 LEU A 19 14.519 20.133 -8.467 1.00 25.42 H new ATOM 271 N VAL A 20 19.290 20.184 -9.590 1.00 54.31 N ATOM 272 CA VAL A 20 20.095 19.068 -9.124 1.00 1.04 C ATOM 273 C VAL A 20 20.021 18.953 -7.607 1.00 52.45 C ATOM 274 O VAL A 20 20.107 19.951 -6.892 1.00 22.12 O ATOM 275 CB VAL A 20 21.573 19.211 -9.560 1.00 31.22 C ATOM 276 CG1 VAL A 20 22.440 18.110 -8.957 1.00 65.21 C ATOM 277 CG2 VAL A 20 21.685 19.191 -11.075 1.00 44.44 C ATOM 0 H VAL A 20 19.448 21.056 -9.086 1.00 54.31 H new ATOM 0 HA VAL A 20 19.689 18.164 -9.577 1.00 1.04 H new ATOM 0 HB VAL A 20 21.936 20.170 -9.189 1.00 31.22 H new ATOM 0 HG11 VAL A 20 23.472 18.240 -9.283 1.00 65.21 H new ATOM 0 HG12 VAL A 20 22.394 18.165 -7.869 1.00 65.21 H new ATOM 0 HG13 VAL A 20 22.075 17.137 -9.287 1.00 65.21 H new ATOM 0 HG21 VAL A 20 22.731 19.293 -11.364 1.00 44.44 H new ATOM 0 HG22 VAL A 20 21.293 18.248 -11.456 1.00 44.44 H new ATOM 0 HG23 VAL A 20 21.111 20.018 -11.493 1.00 44.44 H new ATOM 287 N ASN A 21 19.833 17.735 -7.133 1.00 13.51 N ATOM 288 CA ASN A 21 19.839 17.447 -5.707 1.00 61.42 C ATOM 289 C ASN A 21 20.981 16.483 -5.407 1.00 15.32 C ATOM 290 O ASN A 21 21.382 15.719 -6.281 1.00 60.15 O ATOM 291 CB ASN A 21 18.491 16.841 -5.284 1.00 40.23 C ATOM 292 CG ASN A 21 18.423 16.490 -3.804 1.00 14.14 C ATOM 293 OD1 ASN A 21 19.087 17.104 -2.972 1.00 1.33 O ATOM 294 ND2 ASN A 21 17.618 15.492 -3.465 1.00 30.15 N ATOM 0 H ASN A 21 19.672 16.918 -7.722 1.00 13.51 H new ATOM 0 HA ASN A 21 19.985 18.368 -5.142 1.00 61.42 H new ATOM 0 HB2 ASN A 21 17.694 17.547 -5.519 1.00 40.23 H new ATOM 0 HB3 ASN A 21 18.305 15.942 -5.872 1.00 40.23 H new ATOM 0 HD21 ASN A 21 17.536 15.213 -2.487 1.00 30.15 H new ATOM 0 HD22 ASN A 21 17.081 15.004 -4.182 1.00 30.15 H new ATOM 301 N ASP A 22 21.511 16.522 -4.190 1.00 31.34 N ATOM 302 CA ASP A 22 22.608 15.636 -3.810 1.00 71.21 C ATOM 303 C ASP A 22 22.167 14.177 -3.873 1.00 5.13 C ATOM 304 O ASP A 22 22.952 13.285 -4.199 1.00 75.41 O ATOM 305 CB ASP A 22 23.111 15.967 -2.404 1.00 63.32 C ATOM 306 CG ASP A 22 24.240 15.053 -1.971 1.00 13.22 C ATOM 307 OD1 ASP A 22 25.391 15.286 -2.387 1.00 22.11 O ATOM 308 OD2 ASP A 22 23.977 14.086 -1.222 1.00 4.44 O ATOM 0 H ASP A 22 21.202 17.154 -3.452 1.00 31.34 H new ATOM 0 HA ASP A 22 23.423 15.789 -4.518 1.00 71.21 H new ATOM 0 HB2 ASP A 22 23.452 17.002 -2.376 1.00 63.32 H new ATOM 0 HB3 ASP A 22 22.287 15.884 -1.696 1.00 63.32 H new ATOM 313 N GLU A 23 20.896 13.947 -3.584 1.00 75.54 N ATOM 314 CA GLU A 23 20.320 12.611 -3.637 1.00 32.45 C ATOM 315 C GLU A 23 19.803 12.310 -5.043 1.00 53.52 C ATOM 316 O GLU A 23 19.091 11.330 -5.268 1.00 4.33 O ATOM 317 CB GLU A 23 19.187 12.510 -2.618 1.00 55.34 C ATOM 318 CG GLU A 23 19.632 12.790 -1.192 1.00 3.05 C ATOM 319 CD GLU A 23 18.467 13.053 -0.264 1.00 72.14 C ATOM 320 OE1 GLU A 23 17.798 12.086 0.153 1.00 42.25 O ATOM 321 OE2 GLU A 23 18.212 14.233 0.051 1.00 41.22 O ATOM 0 H GLU A 23 20.238 14.675 -3.308 1.00 75.54 H new ATOM 0 HA GLU A 23 21.088 11.877 -3.394 1.00 32.45 H new ATOM 0 HB2 GLU A 23 18.400 13.213 -2.890 1.00 55.34 H new ATOM 0 HB3 GLU A 23 18.753 11.511 -2.666 1.00 55.34 H new ATOM 0 HG2 GLU A 23 20.204 11.940 -0.820 1.00 3.05 H new ATOM 0 HG3 GLU A 23 20.300 13.652 -1.185 1.00 3.05 H new ATOM 328 N ASP A 24 20.184 13.155 -5.989 1.00 13.53 N ATOM 329 CA ASP A 24 19.761 13.013 -7.373 1.00 20.35 C ATOM 330 C ASP A 24 20.967 13.237 -8.282 1.00 53.33 C ATOM 331 O ASP A 24 22.107 13.241 -7.810 1.00 63.23 O ATOM 332 CB ASP A 24 18.655 14.027 -7.686 1.00 43.45 C ATOM 333 CG ASP A 24 17.785 13.603 -8.852 1.00 72.21 C ATOM 334 OD1 ASP A 24 18.173 13.845 -10.013 1.00 61.12 O ATOM 335 OD2 ASP A 24 16.708 13.023 -8.603 1.00 52.14 O ATOM 0 H ASP A 24 20.793 13.956 -5.819 1.00 13.53 H new ATOM 0 HA ASP A 24 19.364 12.012 -7.541 1.00 20.35 H new ATOM 0 HB2 ASP A 24 18.031 14.162 -6.803 1.00 43.45 H new ATOM 0 HB3 ASP A 24 19.107 14.994 -7.908 1.00 43.45 H new ATOM 340 N GLN A 25 20.733 13.415 -9.571 1.00 74.12 N ATOM 341 CA GLN A 25 21.813 13.690 -10.503 1.00 5.14 C ATOM 342 C GLN A 25 21.488 14.918 -11.360 1.00 61.33 C ATOM 343 O GLN A 25 22.272 15.863 -11.420 1.00 2.43 O ATOM 344 CB GLN A 25 22.095 12.468 -11.385 1.00 50.45 C ATOM 345 CG GLN A 25 20.923 12.035 -12.253 1.00 62.10 C ATOM 346 CD GLN A 25 21.254 10.856 -13.139 1.00 4.10 C ATOM 347 OE1 GLN A 25 20.754 10.748 -14.255 1.00 73.34 O ATOM 348 NE2 GLN A 25 22.096 9.964 -12.649 1.00 42.45 N ATOM 0 H GLN A 25 19.806 13.374 -9.995 1.00 74.12 H new ATOM 0 HA GLN A 25 22.713 13.906 -9.928 1.00 5.14 H new ATOM 0 HB2 GLN A 25 22.946 12.689 -12.029 1.00 50.45 H new ATOM 0 HB3 GLN A 25 22.386 11.634 -10.747 1.00 50.45 H new ATOM 0 HG2 GLN A 25 20.079 11.777 -11.613 1.00 62.10 H new ATOM 0 HG3 GLN A 25 20.608 12.873 -12.874 1.00 62.10 H new ATOM 0 HE21 GLN A 25 22.489 10.092 -11.716 1.00 42.45 H new ATOM 0 HE22 GLN A 25 22.353 9.147 -13.203 1.00 42.45 H new ATOM 357 N HIS A 26 20.315 14.900 -11.993 1.00 20.14 N ATOM 358 CA HIS A 26 19.865 15.967 -12.887 1.00 44.33 C ATOM 359 C HIS A 26 18.362 15.847 -13.094 1.00 25.54 C ATOM 360 O HIS A 26 17.869 14.778 -13.442 1.00 2.13 O ATOM 361 CB HIS A 26 20.562 15.894 -14.262 1.00 1.43 C ATOM 362 CG HIS A 26 21.921 16.523 -14.315 1.00 15.33 C ATOM 363 ND1 HIS A 26 22.111 17.882 -14.444 1.00 25.13 N ATOM 364 CD2 HIS A 26 23.159 15.973 -14.269 1.00 31.34 C ATOM 365 CE1 HIS A 26 23.406 18.139 -14.473 1.00 13.51 C ATOM 366 NE2 HIS A 26 24.060 17.001 -14.368 1.00 71.22 N ATOM 0 H HIS A 26 19.644 14.137 -11.899 1.00 20.14 H new ATOM 0 HA HIS A 26 20.119 16.920 -12.424 1.00 44.33 H new ATOM 0 HB2 HIS A 26 20.651 14.847 -14.553 1.00 1.43 H new ATOM 0 HB3 HIS A 26 19.925 16.378 -15.002 1.00 1.43 H new ATOM 0 HD1 HIS A 26 21.369 18.579 -14.507 1.00 25.13 H new ATOM 0 HD2 HIS A 26 23.392 14.923 -14.173 1.00 31.34 H new ATOM 0 HE1 HIS A 26 23.853 19.118 -14.567 1.00 13.51 H new ATOM 375 N SER A 27 17.638 16.929 -12.879 1.00 70.05 N ATOM 376 CA SER A 27 16.201 16.929 -13.086 1.00 44.25 C ATOM 377 C SER A 27 15.759 18.182 -13.829 1.00 53.24 C ATOM 378 O SER A 27 16.169 19.293 -13.493 1.00 54.43 O ATOM 379 CB SER A 27 15.476 16.834 -11.741 1.00 40.02 C ATOM 380 OG SER A 27 15.800 15.631 -11.068 1.00 42.35 O ATOM 0 H SER A 27 18.021 17.819 -12.561 1.00 70.05 H new ATOM 0 HA SER A 27 15.944 16.061 -13.694 1.00 44.25 H new ATOM 0 HB2 SER A 27 15.747 17.686 -11.118 1.00 40.02 H new ATOM 0 HB3 SER A 27 14.399 16.885 -11.901 1.00 40.02 H new ATOM 0 HG SER A 27 15.325 15.597 -10.212 1.00 42.35 H new ATOM 386 N LEU A 28 14.953 17.996 -14.860 1.00 62.10 N ATOM 387 CA LEU A 28 14.326 19.117 -15.536 1.00 50.32 C ATOM 388 C LEU A 28 13.054 19.492 -14.791 1.00 31.11 C ATOM 389 O LEU A 28 12.033 18.814 -14.904 1.00 61.20 O ATOM 390 CB LEU A 28 14.015 18.770 -16.998 1.00 53.12 C ATOM 391 CG LEU A 28 14.767 19.603 -18.043 1.00 43.24 C ATOM 392 CD1 LEU A 28 14.389 21.073 -17.936 1.00 11.32 C ATOM 393 CD2 LEU A 28 16.270 19.428 -17.884 1.00 22.11 C ATOM 0 H LEU A 28 14.718 17.082 -15.246 1.00 62.10 H new ATOM 0 HA LEU A 28 15.011 19.965 -15.539 1.00 50.32 H new ATOM 0 HB2 LEU A 28 14.246 17.717 -17.162 1.00 53.12 H new ATOM 0 HB3 LEU A 28 12.944 18.891 -17.163 1.00 53.12 H new ATOM 0 HG LEU A 28 14.479 19.247 -19.032 1.00 43.24 H new ATOM 0 HD11 LEU A 28 14.935 21.645 -18.687 1.00 11.32 H new ATOM 0 HD12 LEU A 28 13.318 21.186 -18.102 1.00 11.32 H new ATOM 0 HD13 LEU A 28 14.644 21.443 -16.943 1.00 11.32 H new ATOM 0 HD21 LEU A 28 16.787 20.026 -18.634 1.00 22.11 H new ATOM 0 HD22 LEU A 28 16.571 19.754 -16.889 1.00 22.11 H new ATOM 0 HD23 LEU A 28 16.530 18.378 -18.016 1.00 22.11 H new ATOM 405 N TRP A 29 13.129 20.556 -14.014 1.00 50.34 N ATOM 406 CA TRP A 29 12.036 20.927 -13.133 1.00 20.41 C ATOM 407 C TRP A 29 11.327 22.165 -13.666 1.00 32.24 C ATOM 408 O TRP A 29 11.924 23.239 -13.757 1.00 74.10 O ATOM 409 CB TRP A 29 12.587 21.178 -11.726 1.00 43.11 C ATOM 410 CG TRP A 29 11.546 21.479 -10.695 1.00 62.11 C ATOM 411 CD1 TRP A 29 11.301 22.689 -10.119 1.00 23.24 C ATOM 412 CD2 TRP A 29 10.624 20.557 -10.104 1.00 74.32 C ATOM 413 NE1 TRP A 29 10.275 22.581 -9.212 1.00 60.32 N ATOM 414 CE2 TRP A 29 9.844 21.281 -9.183 1.00 25.15 C ATOM 415 CE3 TRP A 29 10.381 19.190 -10.267 1.00 12.00 C ATOM 416 CZ2 TRP A 29 8.836 20.682 -8.428 1.00 50.34 C ATOM 417 CZ3 TRP A 29 9.384 18.597 -9.518 1.00 73.52 C ATOM 418 CH2 TRP A 29 8.621 19.342 -8.608 1.00 70.13 C ATOM 0 H TRP A 29 13.935 21.179 -13.974 1.00 50.34 H new ATOM 0 HA TRP A 29 11.309 20.116 -13.090 1.00 20.41 H new ATOM 0 HB2 TRP A 29 13.151 20.301 -11.409 1.00 43.11 H new ATOM 0 HB3 TRP A 29 13.289 22.010 -11.768 1.00 43.11 H new ATOM 0 HD1 TRP A 29 11.836 23.600 -10.343 1.00 23.24 H new ATOM 0 HE1 TRP A 29 9.896 23.344 -8.652 1.00 60.32 H new ATOM 0 HE3 TRP A 29 10.963 18.608 -10.966 1.00 12.00 H new ATOM 0 HZ2 TRP A 29 8.247 21.254 -7.727 1.00 50.34 H new ATOM 0 HZ3 TRP A 29 9.189 17.541 -9.635 1.00 73.52 H new ATOM 0 HH2 TRP A 29 7.848 18.849 -8.037 1.00 70.13 H new ATOM 429 N PRO A 30 10.050 22.029 -14.043 1.00 72.53 N ATOM 430 CA PRO A 30 9.255 23.145 -14.541 1.00 63.44 C ATOM 431 C PRO A 30 8.778 24.058 -13.413 1.00 0.24 C ATOM 432 O PRO A 30 8.418 23.590 -12.332 1.00 73.54 O ATOM 433 CB PRO A 30 8.068 22.459 -15.219 1.00 4.34 C ATOM 434 CG PRO A 30 7.910 21.167 -14.491 1.00 3.34 C ATOM 435 CD PRO A 30 9.287 20.765 -14.029 1.00 51.14 C ATOM 0 HA PRO A 30 9.825 23.791 -15.209 1.00 63.44 H new ATOM 0 HB2 PRO A 30 7.166 23.067 -15.147 1.00 4.34 H new ATOM 0 HB3 PRO A 30 8.259 22.295 -16.280 1.00 4.34 H new ATOM 0 HG2 PRO A 30 7.234 21.279 -13.643 1.00 3.34 H new ATOM 0 HG3 PRO A 30 7.481 20.405 -15.142 1.00 3.34 H new ATOM 0 HD2 PRO A 30 9.261 20.325 -13.032 1.00 51.14 H new ATOM 0 HD3 PRO A 30 9.731 20.023 -14.693 1.00 51.14 H new ATOM 443 N VAL A 31 8.750 25.358 -13.682 1.00 5.34 N ATOM 444 CA VAL A 31 8.341 26.342 -12.681 1.00 31.12 C ATOM 445 C VAL A 31 6.830 26.328 -12.486 1.00 22.24 C ATOM 446 O VAL A 31 6.286 27.116 -11.712 1.00 72.24 O ATOM 447 CB VAL A 31 8.784 27.770 -13.054 1.00 4.33 C ATOM 448 CG1 VAL A 31 10.288 27.823 -13.289 1.00 70.22 C ATOM 449 CG2 VAL A 31 8.024 28.276 -14.272 1.00 74.32 C ATOM 0 H VAL A 31 9.005 25.758 -14.585 1.00 5.34 H new ATOM 0 HA VAL A 31 8.835 26.058 -11.752 1.00 31.12 H new ATOM 0 HB VAL A 31 8.548 28.427 -12.217 1.00 4.33 H new ATOM 0 HG11 VAL A 31 10.580 28.840 -13.551 1.00 70.22 H new ATOM 0 HG12 VAL A 31 10.809 27.519 -12.381 1.00 70.22 H new ATOM 0 HG13 VAL A 31 10.553 27.148 -14.103 1.00 70.22 H new ATOM 0 HG21 VAL A 31 8.356 29.286 -14.514 1.00 74.32 H new ATOM 0 HG22 VAL A 31 8.216 27.618 -15.120 1.00 74.32 H new ATOM 0 HG23 VAL A 31 6.956 28.287 -14.056 1.00 74.32 H new ATOM 459 N PHE A 32 6.155 25.433 -13.198 1.00 43.21 N ATOM 460 CA PHE A 32 4.731 25.224 -13.002 1.00 54.23 C ATOM 461 C PHE A 32 4.505 24.710 -11.585 1.00 21.23 C ATOM 462 O PHE A 32 3.452 24.926 -10.984 1.00 40.43 O ATOM 463 CB PHE A 32 4.195 24.226 -14.032 1.00 43.03 C ATOM 464 CG PHE A 32 2.694 24.185 -14.115 1.00 53.00 C ATOM 465 CD1 PHE A 32 2.006 25.126 -14.863 1.00 4.02 C ATOM 466 CD2 PHE A 32 1.970 23.207 -13.447 1.00 61.21 C ATOM 467 CE1 PHE A 32 0.626 25.095 -14.942 1.00 34.13 C ATOM 468 CE2 PHE A 32 0.591 23.171 -13.523 1.00 63.22 C ATOM 469 CZ PHE A 32 -0.082 24.115 -14.269 1.00 44.13 C ATOM 0 H PHE A 32 6.574 24.842 -13.916 1.00 43.21 H new ATOM 0 HA PHE A 32 4.195 26.163 -13.138 1.00 54.23 H new ATOM 0 HB2 PHE A 32 4.597 24.480 -15.013 1.00 43.03 H new ATOM 0 HB3 PHE A 32 4.563 23.230 -13.785 1.00 43.03 H new ATOM 0 HD1 PHE A 32 2.554 25.893 -15.391 1.00 4.02 H new ATOM 0 HD2 PHE A 32 2.491 22.465 -12.860 1.00 61.21 H new ATOM 0 HE1 PHE A 32 0.101 25.835 -15.528 1.00 34.13 H new ATOM 0 HE2 PHE A 32 0.041 22.404 -12.998 1.00 63.22 H new ATOM 0 HZ PHE A 32 -1.160 24.090 -14.328 1.00 44.13 H new ATOM 479 N ALA A 33 5.521 24.035 -11.059 1.00 62.53 N ATOM 480 CA ALA A 33 5.520 23.587 -9.683 1.00 73.21 C ATOM 481 C ALA A 33 6.550 24.379 -8.887 1.00 14.11 C ATOM 482 O ALA A 33 7.540 24.861 -9.446 1.00 13.22 O ATOM 483 CB ALA A 33 5.812 22.098 -9.608 1.00 74.20 C ATOM 0 H ALA A 33 6.363 23.787 -11.578 1.00 62.53 H new ATOM 0 HA ALA A 33 4.533 23.758 -9.253 1.00 73.21 H new ATOM 0 HB1 ALA A 33 5.807 21.778 -8.566 1.00 74.20 H new ATOM 0 HB2 ALA A 33 5.048 21.549 -10.159 1.00 74.20 H new ATOM 0 HB3 ALA A 33 6.790 21.897 -10.045 1.00 74.20 H new ATOM 489 N ASP A 34 6.314 24.525 -7.596 1.00 73.54 N ATOM 490 CA ASP A 34 7.215 25.279 -6.737 1.00 12.01 C ATOM 491 C ASP A 34 8.395 24.416 -6.308 1.00 25.54 C ATOM 492 O ASP A 34 8.255 23.210 -6.092 1.00 43.40 O ATOM 493 CB ASP A 34 6.474 25.819 -5.509 1.00 72.34 C ATOM 494 CG ASP A 34 6.021 24.731 -4.551 1.00 35.13 C ATOM 495 OD1 ASP A 34 5.027 24.033 -4.859 1.00 44.20 O ATOM 496 OD2 ASP A 34 6.640 24.585 -3.474 1.00 51.51 O ATOM 0 H ASP A 34 5.505 24.131 -7.116 1.00 73.54 H new ATOM 0 HA ASP A 34 7.595 26.127 -7.307 1.00 12.01 H new ATOM 0 HB2 ASP A 34 7.125 26.513 -4.977 1.00 72.34 H new ATOM 0 HB3 ASP A 34 5.604 26.387 -5.839 1.00 72.34 H new ATOM 501 N ILE A 35 9.561 25.033 -6.209 1.00 23.41 N ATOM 502 CA ILE A 35 10.777 24.321 -5.837 1.00 54.34 C ATOM 503 C ILE A 35 10.871 24.213 -4.316 1.00 65.45 C ATOM 504 O ILE A 35 10.856 25.231 -3.620 1.00 14.24 O ATOM 505 CB ILE A 35 12.035 25.035 -6.381 1.00 10.14 C ATOM 506 CG1 ILE A 35 11.847 25.413 -7.855 1.00 72.42 C ATOM 507 CG2 ILE A 35 13.259 24.146 -6.221 1.00 64.03 C ATOM 508 CD1 ILE A 35 13.019 26.169 -8.447 1.00 60.24 C ATOM 0 H ILE A 35 9.693 26.030 -6.381 1.00 23.41 H new ATOM 0 HA ILE A 35 10.730 23.325 -6.277 1.00 54.34 H new ATOM 0 HB ILE A 35 12.186 25.948 -5.805 1.00 10.14 H new ATOM 0 HG12 ILE A 35 11.682 24.505 -8.435 1.00 72.42 H new ATOM 0 HG13 ILE A 35 10.948 26.021 -7.953 1.00 72.42 H new ATOM 0 HG21 ILE A 35 14.137 24.663 -6.609 1.00 64.03 H new ATOM 0 HG22 ILE A 35 13.408 23.919 -5.165 1.00 64.03 H new ATOM 0 HG23 ILE A 35 13.110 23.219 -6.774 1.00 64.03 H new ATOM 0 HD11 ILE A 35 12.812 26.401 -9.492 1.00 60.24 H new ATOM 0 HD12 ILE A 35 13.172 27.095 -7.893 1.00 60.24 H new ATOM 0 HD13 ILE A 35 13.918 25.555 -8.383 1.00 60.24 H new ATOM 520 N PRO A 36 10.960 22.979 -3.785 1.00 20.01 N ATOM 521 CA PRO A 36 10.933 22.729 -2.338 1.00 12.02 C ATOM 522 C PRO A 36 12.180 23.231 -1.600 1.00 43.41 C ATOM 523 O PRO A 36 12.282 24.416 -1.288 1.00 52.44 O ATOM 524 CB PRO A 36 10.806 21.205 -2.244 1.00 34.45 C ATOM 525 CG PRO A 36 11.403 20.696 -3.512 1.00 42.11 C ATOM 526 CD PRO A 36 11.084 21.729 -4.559 1.00 44.21 C ATOM 0 HA PRO A 36 10.118 23.270 -1.856 1.00 12.02 H new ATOM 0 HB2 PRO A 36 11.335 20.817 -1.374 1.00 34.45 H new ATOM 0 HB3 PRO A 36 9.764 20.900 -2.146 1.00 34.45 H new ATOM 0 HG2 PRO A 36 12.480 20.561 -3.411 1.00 42.11 H new ATOM 0 HG3 PRO A 36 10.984 19.726 -3.780 1.00 42.11 H new ATOM 0 HD2 PRO A 36 11.873 21.798 -5.308 1.00 44.21 H new ATOM 0 HD3 PRO A 36 10.161 21.492 -5.088 1.00 44.21 H new ATOM 534 N ALA A 37 13.127 22.338 -1.322 1.00 32.34 N ATOM 535 CA ALA A 37 14.306 22.691 -0.554 1.00 62.32 C ATOM 536 C ALA A 37 15.444 21.719 -0.832 1.00 3.44 C ATOM 537 O ALA A 37 15.218 20.635 -1.374 1.00 34.45 O ATOM 538 CB ALA A 37 13.958 22.682 0.919 1.00 21.30 C ATOM 0 H ALA A 37 13.095 21.363 -1.621 1.00 32.34 H new ATOM 0 HA ALA A 37 14.637 23.687 -0.847 1.00 62.32 H new ATOM 0 HB1 ALA A 37 14.840 22.946 1.503 1.00 21.30 H new ATOM 0 HB2 ALA A 37 13.166 23.406 1.110 1.00 21.30 H new ATOM 0 HB3 ALA A 37 13.618 21.687 1.206 1.00 21.30 H new ATOM 544 N GLY A 38 16.660 22.106 -0.447 1.00 61.52 N ATOM 545 CA GLY A 38 17.821 21.257 -0.667 1.00 71.31 C ATOM 546 C GLY A 38 18.175 21.132 -2.136 1.00 52.02 C ATOM 547 O GLY A 38 18.713 20.114 -2.571 1.00 65.45 O ATOM 0 H GLY A 38 16.862 22.993 0.014 1.00 61.52 H new ATOM 0 HA2 GLY A 38 18.674 21.664 -0.124 1.00 71.31 H new ATOM 0 HA3 GLY A 38 17.626 20.266 -0.257 1.00 71.31 H new ATOM 551 N TRP A 39 17.868 22.168 -2.897 1.00 1.04 N ATOM 552 CA TRP A 39 18.031 22.137 -4.341 1.00 71.10 C ATOM 553 C TRP A 39 19.246 22.940 -4.792 1.00 53.52 C ATOM 554 O TRP A 39 19.769 23.778 -4.055 1.00 43.22 O ATOM 555 CB TRP A 39 16.768 22.682 -5.012 1.00 61.05 C ATOM 556 CG TRP A 39 16.315 24.008 -4.459 1.00 75.23 C ATOM 557 CD1 TRP A 39 15.363 24.210 -3.499 1.00 40.04 C ATOM 558 CD2 TRP A 39 16.794 25.310 -4.828 1.00 15.24 C ATOM 559 NE1 TRP A 39 15.222 25.553 -3.250 1.00 74.21 N ATOM 560 CE2 TRP A 39 16.089 26.249 -4.052 1.00 52.15 C ATOM 561 CE3 TRP A 39 17.750 25.774 -5.737 1.00 41.43 C ATOM 562 CZ2 TRP A 39 16.310 27.616 -4.157 1.00 4.21 C ATOM 563 CZ3 TRP A 39 17.968 27.133 -5.840 1.00 21.35 C ATOM 564 CH2 TRP A 39 17.250 28.041 -5.053 1.00 62.42 C ATOM 0 H TRP A 39 17.501 23.048 -2.535 1.00 1.04 H new ATOM 0 HA TRP A 39 18.192 21.101 -4.638 1.00 71.10 H new ATOM 0 HB2 TRP A 39 16.952 22.787 -6.081 1.00 61.05 H new ATOM 0 HB3 TRP A 39 15.963 21.956 -4.897 1.00 61.05 H new ATOM 0 HD1 TRP A 39 14.803 23.428 -3.008 1.00 40.04 H new ATOM 0 HE1 TRP A 39 14.576 25.966 -2.577 1.00 74.21 H new ATOM 0 HE3 TRP A 39 18.308 25.081 -6.348 1.00 41.43 H new ATOM 0 HZ2 TRP A 39 15.758 28.319 -3.551 1.00 4.21 H new ATOM 0 HZ3 TRP A 39 18.704 27.502 -6.539 1.00 21.35 H new ATOM 0 HH2 TRP A 39 17.443 29.099 -5.156 1.00 62.42 H new ATOM 575 N ARG A 40 19.690 22.661 -6.007 1.00 15.10 N ATOM 576 CA ARG A 40 20.770 23.405 -6.637 1.00 61.03 C ATOM 577 C ARG A 40 20.441 23.630 -8.112 1.00 54.24 C ATOM 578 O ARG A 40 20.214 22.677 -8.855 1.00 13.25 O ATOM 579 CB ARG A 40 22.093 22.638 -6.489 1.00 5.24 C ATOM 580 CG ARG A 40 23.284 23.308 -7.159 1.00 52.34 C ATOM 581 CD ARG A 40 23.547 24.697 -6.598 1.00 31.33 C ATOM 582 NE ARG A 40 24.798 25.264 -7.102 1.00 23.32 N ATOM 583 CZ ARG A 40 24.948 26.533 -7.480 1.00 30.25 C ATOM 584 NH1 ARG A 40 23.914 27.360 -7.496 1.00 71.53 N ATOM 585 NH2 ARG A 40 26.141 26.977 -7.854 1.00 14.54 N ATOM 0 H ARG A 40 19.311 21.911 -6.586 1.00 15.10 H new ATOM 0 HA ARG A 40 20.878 24.373 -6.148 1.00 61.03 H new ATOM 0 HB2 ARG A 40 22.310 22.513 -5.428 1.00 5.24 H new ATOM 0 HB3 ARG A 40 21.969 21.640 -6.908 1.00 5.24 H new ATOM 0 HG2 ARG A 40 24.171 22.689 -7.025 1.00 52.34 H new ATOM 0 HG3 ARG A 40 23.104 23.378 -8.232 1.00 52.34 H new ATOM 0 HD2 ARG A 40 22.719 25.356 -6.859 1.00 31.33 H new ATOM 0 HD3 ARG A 40 23.584 24.647 -5.510 1.00 31.33 H new ATOM 0 HE ARG A 40 25.608 24.648 -7.168 1.00 23.32 H new ATOM 0 HH11 ARG A 40 22.991 27.028 -7.217 1.00 71.53 H new ATOM 0 HH12 ARG A 40 24.041 28.329 -7.787 1.00 71.53 H new ATOM 0 HH21 ARG A 40 26.943 26.347 -7.852 1.00 14.54 H new ATOM 0 HH22 ARG A 40 26.256 27.948 -8.143 1.00 14.54 H new ATOM 599 N VAL A 41 20.386 24.890 -8.525 1.00 40.24 N ATOM 600 CA VAL A 41 20.081 25.217 -9.909 1.00 71.24 C ATOM 601 C VAL A 41 21.360 25.360 -10.721 1.00 31.12 C ATOM 602 O VAL A 41 22.158 26.266 -10.484 1.00 65.41 O ATOM 603 CB VAL A 41 19.255 26.517 -10.020 1.00 61.45 C ATOM 604 CG1 VAL A 41 18.977 26.861 -11.473 1.00 25.00 C ATOM 605 CG2 VAL A 41 17.955 26.391 -9.245 1.00 14.32 C ATOM 0 H VAL A 41 20.548 25.698 -7.923 1.00 40.24 H new ATOM 0 HA VAL A 41 19.486 24.396 -10.309 1.00 71.24 H new ATOM 0 HB VAL A 41 19.840 27.327 -9.585 1.00 61.45 H new ATOM 0 HG11 VAL A 41 18.394 27.780 -11.524 1.00 25.00 H new ATOM 0 HG12 VAL A 41 19.920 27.000 -12.001 1.00 25.00 H new ATOM 0 HG13 VAL A 41 18.417 26.050 -11.938 1.00 25.00 H new ATOM 0 HG21 VAL A 41 17.387 27.317 -9.335 1.00 14.32 H new ATOM 0 HG22 VAL A 41 17.369 25.565 -9.649 1.00 14.32 H new ATOM 0 HG23 VAL A 41 18.175 26.201 -8.194 1.00 14.32 H new ATOM 615 N VAL A 42 21.555 24.456 -11.670 1.00 40.32 N ATOM 616 CA VAL A 42 22.716 24.517 -12.548 1.00 63.24 C ATOM 617 C VAL A 42 22.481 25.549 -13.644 1.00 50.15 C ATOM 618 O VAL A 42 23.367 26.328 -13.989 1.00 15.22 O ATOM 619 CB VAL A 42 23.021 23.144 -13.187 1.00 42.14 C ATOM 620 CG1 VAL A 42 24.281 23.211 -14.035 1.00 23.52 C ATOM 621 CG2 VAL A 42 23.153 22.078 -12.114 1.00 52.31 C ATOM 0 H VAL A 42 20.927 23.673 -11.852 1.00 40.32 H new ATOM 0 HA VAL A 42 23.576 24.806 -11.943 1.00 63.24 H new ATOM 0 HB VAL A 42 22.189 22.877 -13.839 1.00 42.14 H new ATOM 0 HG11 VAL A 42 24.476 22.233 -14.475 1.00 23.52 H new ATOM 0 HG12 VAL A 42 24.147 23.946 -14.829 1.00 23.52 H new ATOM 0 HG13 VAL A 42 25.125 23.503 -13.410 1.00 23.52 H new ATOM 0 HG21 VAL A 42 23.368 21.117 -12.581 1.00 52.31 H new ATOM 0 HG22 VAL A 42 23.965 22.342 -11.437 1.00 52.31 H new ATOM 0 HG23 VAL A 42 22.221 22.009 -11.553 1.00 52.31 H new ATOM 631 N HIS A 43 21.271 25.543 -14.178 1.00 32.14 N ATOM 632 CA HIS A 43 20.859 26.487 -15.209 1.00 42.41 C ATOM 633 C HIS A 43 19.403 26.857 -14.987 1.00 1.25 C ATOM 634 O HIS A 43 18.597 25.999 -14.634 1.00 24.14 O ATOM 635 CB HIS A 43 21.027 25.881 -16.609 1.00 4.00 C ATOM 636 CG HIS A 43 22.333 26.198 -17.279 1.00 10.14 C ATOM 637 ND1 HIS A 43 23.555 26.121 -16.647 1.00 72.12 N ATOM 638 CD2 HIS A 43 22.598 26.584 -18.549 1.00 61.44 C ATOM 639 CE1 HIS A 43 24.510 26.438 -17.496 1.00 25.41 C ATOM 640 NE2 HIS A 43 23.958 26.723 -18.657 1.00 3.32 N ATOM 0 H HIS A 43 20.543 24.882 -13.909 1.00 32.14 H new ATOM 0 HA HIS A 43 21.488 27.375 -15.144 1.00 42.41 H new ATOM 0 HB2 HIS A 43 20.926 24.798 -16.536 1.00 4.00 H new ATOM 0 HB3 HIS A 43 20.214 26.235 -17.243 1.00 4.00 H new ATOM 0 HD1 HIS A 43 23.698 25.859 -15.672 1.00 72.12 H new ATOM 0 HD2 HIS A 43 21.873 26.751 -19.332 1.00 61.44 H new ATOM 0 HE1 HIS A 43 25.567 26.460 -17.277 1.00 25.41 H new ATOM 649 N GLY A 44 19.076 28.129 -15.166 1.00 64.42 N ATOM 650 CA GLY A 44 17.703 28.567 -15.023 1.00 40.31 C ATOM 651 C GLY A 44 16.862 28.191 -16.222 1.00 11.43 C ATOM 652 O GLY A 44 16.951 27.069 -16.720 1.00 14.32 O ATOM 0 H GLY A 44 19.738 28.866 -15.408 1.00 64.42 H new ATOM 0 HA2 GLY A 44 17.273 28.124 -14.125 1.00 40.31 H new ATOM 0 HA3 GLY A 44 17.679 29.648 -14.888 1.00 40.31 H new ATOM 656 N GLU A 45 16.061 29.128 -16.710 1.00 41.53 N ATOM 657 CA GLU A 45 15.210 28.838 -17.850 1.00 24.13 C ATOM 658 C GLU A 45 15.927 29.148 -19.147 1.00 75.21 C ATOM 659 O GLU A 45 16.036 30.290 -19.586 1.00 73.32 O ATOM 660 CB GLU A 45 13.856 29.557 -17.776 1.00 41.13 C ATOM 661 CG GLU A 45 13.845 30.779 -16.888 1.00 22.15 C ATOM 662 CD GLU A 45 14.487 31.995 -17.520 1.00 40.03 C ATOM 663 OE1 GLU A 45 13.911 32.550 -18.479 1.00 61.15 O ATOM 664 OE2 GLU A 45 15.553 32.419 -17.038 1.00 54.25 O ATOM 0 H GLU A 45 15.984 30.076 -16.342 1.00 41.53 H new ATOM 0 HA GLU A 45 14.993 27.770 -17.822 1.00 24.13 H new ATOM 0 HB2 GLU A 45 13.560 29.852 -18.783 1.00 41.13 H new ATOM 0 HB3 GLU A 45 13.105 28.854 -17.416 1.00 41.13 H new ATOM 0 HG2 GLU A 45 12.814 31.018 -16.626 1.00 22.15 H new ATOM 0 HG3 GLU A 45 14.364 30.547 -15.958 1.00 22.15 H new ATOM 671 N ALA A 46 16.453 28.095 -19.708 1.00 42.34 N ATOM 672 CA ALA A 46 17.076 28.122 -21.019 1.00 4.43 C ATOM 673 C ALA A 46 16.329 27.160 -21.919 1.00 3.13 C ATOM 674 O ALA A 46 15.558 26.353 -21.421 1.00 72.05 O ATOM 675 CB ALA A 46 18.547 27.746 -20.921 1.00 74.23 C ATOM 0 H ALA A 46 16.465 27.175 -19.267 1.00 42.34 H new ATOM 0 HA ALA A 46 17.026 29.128 -21.436 1.00 4.43 H new ATOM 0 HB1 ALA A 46 18.996 27.772 -21.914 1.00 74.23 H new ATOM 0 HB2 ALA A 46 19.061 28.454 -20.271 1.00 74.23 H new ATOM 0 HB3 ALA A 46 18.639 26.742 -20.507 1.00 74.23 H new ATOM 681 N SER A 47 16.556 27.248 -23.226 1.00 52.43 N ATOM 682 CA SER A 47 15.843 26.427 -24.205 1.00 21.43 C ATOM 683 C SER A 47 15.657 24.987 -23.721 1.00 15.04 C ATOM 684 O SER A 47 16.614 24.336 -23.291 1.00 74.34 O ATOM 685 CB SER A 47 16.614 26.448 -25.521 1.00 75.44 C ATOM 686 OG SER A 47 16.971 27.778 -25.863 1.00 33.40 O ATOM 0 H SER A 47 17.236 27.887 -23.637 1.00 52.43 H new ATOM 0 HA SER A 47 14.846 26.846 -24.345 1.00 21.43 H new ATOM 0 HB2 SER A 47 17.511 25.835 -25.434 1.00 75.44 H new ATOM 0 HB3 SER A 47 16.005 26.013 -26.314 1.00 75.44 H new ATOM 0 HG SER A 47 17.467 27.777 -26.708 1.00 33.40 H new ATOM 692 N ARG A 48 14.412 24.510 -23.776 1.00 24.40 N ATOM 693 CA ARG A 48 14.059 23.167 -23.308 1.00 63.42 C ATOM 694 C ARG A 48 14.966 22.120 -23.949 1.00 12.32 C ATOM 695 O ARG A 48 15.473 21.224 -23.273 1.00 12.12 O ATOM 696 CB ARG A 48 12.584 22.872 -23.629 1.00 31.24 C ATOM 697 CG ARG A 48 12.109 21.481 -23.234 1.00 63.13 C ATOM 698 CD ARG A 48 11.926 21.349 -21.729 1.00 15.30 C ATOM 699 NE ARG A 48 11.242 20.105 -21.371 1.00 30.40 N ATOM 700 CZ ARG A 48 10.330 20.007 -20.401 1.00 64.14 C ATOM 701 NH1 ARG A 48 9.993 21.072 -19.683 1.00 2.12 N ATOM 702 NH2 ARG A 48 9.738 18.845 -20.163 1.00 42.11 N ATOM 0 H ARG A 48 13.623 25.041 -24.144 1.00 24.40 H new ATOM 0 HA ARG A 48 14.200 23.123 -22.228 1.00 63.42 H new ATOM 0 HB2 ARG A 48 11.962 23.610 -23.122 1.00 31.24 H new ATOM 0 HB3 ARG A 48 12.427 23.004 -24.700 1.00 31.24 H new ATOM 0 HG2 ARG A 48 11.165 21.264 -23.735 1.00 63.13 H new ATOM 0 HG3 ARG A 48 12.830 20.740 -23.578 1.00 63.13 H new ATOM 0 HD2 ARG A 48 12.900 21.382 -21.240 1.00 15.30 H new ATOM 0 HD3 ARG A 48 11.354 22.199 -21.357 1.00 15.30 H new ATOM 0 HE ARG A 48 11.477 19.262 -21.895 1.00 30.40 H new ATOM 0 HH11 ARG A 48 10.432 21.973 -19.871 1.00 2.12 H new ATOM 0 HH12 ARG A 48 9.295 20.989 -18.944 1.00 2.12 H new ATOM 0 HH21 ARG A 48 9.979 18.026 -20.721 1.00 42.11 H new ATOM 0 HH22 ARG A 48 9.041 18.770 -19.422 1.00 42.11 H new ATOM 716 N ALA A 49 15.172 22.263 -25.253 1.00 71.21 N ATOM 717 CA ALA A 49 16.059 21.385 -26.002 1.00 23.33 C ATOM 718 C ALA A 49 17.474 21.417 -25.440 1.00 12.42 C ATOM 719 O ALA A 49 18.097 20.376 -25.264 1.00 4.23 O ATOM 720 CB ALA A 49 16.073 21.785 -27.469 1.00 24.31 C ATOM 0 H ALA A 49 14.730 22.988 -25.818 1.00 71.21 H new ATOM 0 HA ALA A 49 15.681 20.367 -25.909 1.00 23.33 H new ATOM 0 HB1 ALA A 49 16.740 21.122 -28.021 1.00 24.31 H new ATOM 0 HB2 ALA A 49 15.065 21.708 -27.877 1.00 24.31 H new ATOM 0 HB3 ALA A 49 16.424 22.813 -27.563 1.00 24.31 H new ATOM 726 N ALA A 50 17.959 22.616 -25.136 1.00 1.42 N ATOM 727 CA ALA A 50 19.319 22.799 -24.641 1.00 72.11 C ATOM 728 C ALA A 50 19.483 22.211 -23.243 1.00 72.52 C ATOM 729 O ALA A 50 20.530 21.651 -22.919 1.00 11.34 O ATOM 730 CB ALA A 50 19.688 24.275 -24.641 1.00 20.13 C ATOM 0 H ALA A 50 17.426 23.481 -25.225 1.00 1.42 H new ATOM 0 HA ALA A 50 19.994 22.266 -25.310 1.00 72.11 H new ATOM 0 HB1 ALA A 50 20.705 24.396 -24.269 1.00 20.13 H new ATOM 0 HB2 ALA A 50 19.624 24.666 -25.656 1.00 20.13 H new ATOM 0 HB3 ALA A 50 18.999 24.822 -23.997 1.00 20.13 H new ATOM 736 N CYS A 51 18.450 22.349 -22.419 1.00 34.11 N ATOM 737 CA CYS A 51 18.463 21.787 -21.075 1.00 53.12 C ATOM 738 C CYS A 51 18.525 20.263 -21.136 1.00 24.13 C ATOM 739 O CYS A 51 19.343 19.632 -20.456 1.00 22.31 O ATOM 740 CB CYS A 51 17.229 22.241 -20.290 1.00 2.53 C ATOM 741 SG CYS A 51 17.136 24.033 -20.040 1.00 11.35 S ATOM 0 H CYS A 51 17.592 22.846 -22.659 1.00 34.11 H new ATOM 0 HA CYS A 51 19.352 22.150 -20.559 1.00 53.12 H new ATOM 0 HB2 CYS A 51 16.334 21.911 -20.817 1.00 2.53 H new ATOM 0 HB3 CYS A 51 17.227 21.748 -19.318 1.00 2.53 H new ATOM 0 HG CYS A 51 16.431 24.568 -20.992 1.00 11.35 H new ATOM 747 N LEU A 52 17.663 19.675 -21.964 1.00 14.24 N ATOM 748 CA LEU A 52 17.695 18.238 -22.203 1.00 14.11 C ATOM 749 C LEU A 52 19.047 17.834 -22.779 1.00 14.41 C ATOM 750 O LEU A 52 19.649 16.861 -22.346 1.00 13.15 O ATOM 751 CB LEU A 52 16.571 17.829 -23.158 1.00 54.05 C ATOM 752 CG LEU A 52 15.153 18.110 -22.654 1.00 21.41 C ATOM 753 CD1 LEU A 52 14.127 17.724 -23.702 1.00 71.20 C ATOM 754 CD2 LEU A 52 14.883 17.361 -21.359 1.00 63.03 C ATOM 0 H LEU A 52 16.936 20.173 -22.478 1.00 14.24 H new ATOM 0 HA LEU A 52 17.547 17.724 -21.254 1.00 14.11 H new ATOM 0 HB2 LEU A 52 16.713 18.350 -24.105 1.00 54.05 H new ATOM 0 HB3 LEU A 52 16.661 16.763 -23.364 1.00 54.05 H new ATOM 0 HG LEU A 52 15.070 19.179 -22.461 1.00 21.41 H new ATOM 0 HD11 LEU A 52 13.126 17.931 -23.325 1.00 71.20 H new ATOM 0 HD12 LEU A 52 14.299 18.302 -24.610 1.00 71.20 H new ATOM 0 HD13 LEU A 52 14.218 16.661 -23.926 1.00 71.20 H new ATOM 0 HD21 LEU A 52 13.870 17.575 -21.019 1.00 63.03 H new ATOM 0 HD22 LEU A 52 14.990 16.290 -21.529 1.00 63.03 H new ATOM 0 HD23 LEU A 52 15.596 17.680 -20.599 1.00 63.03 H new ATOM 766 N ASP A 53 19.531 18.616 -23.731 1.00 61.53 N ATOM 767 CA ASP A 53 20.832 18.380 -24.346 1.00 54.43 C ATOM 768 C ASP A 53 21.918 18.323 -23.278 1.00 63.52 C ATOM 769 O ASP A 53 22.749 17.411 -23.258 1.00 62.44 O ATOM 770 CB ASP A 53 21.128 19.506 -25.342 1.00 40.30 C ATOM 771 CG ASP A 53 22.414 19.309 -26.112 1.00 11.42 C ATOM 772 OD1 ASP A 53 22.404 18.542 -27.094 1.00 1.13 O ATOM 773 OD2 ASP A 53 23.436 19.940 -25.760 1.00 63.05 O ATOM 0 H ASP A 53 19.037 19.429 -24.099 1.00 61.53 H new ATOM 0 HA ASP A 53 20.817 17.425 -24.871 1.00 54.43 H new ATOM 0 HB2 ASP A 53 20.300 19.583 -26.047 1.00 40.30 H new ATOM 0 HB3 ASP A 53 21.178 20.452 -24.804 1.00 40.30 H new ATOM 778 N TYR A 54 21.859 19.282 -22.362 1.00 62.01 N ATOM 779 CA TYR A 54 22.820 19.394 -21.274 1.00 33.33 C ATOM 780 C TYR A 54 22.790 18.151 -20.385 1.00 54.33 C ATOM 781 O TYR A 54 23.825 17.537 -20.132 1.00 52.04 O ATOM 782 CB TYR A 54 22.504 20.645 -20.443 1.00 21.41 C ATOM 783 CG TYR A 54 23.557 21.006 -19.413 1.00 53.34 C ATOM 784 CD1 TYR A 54 24.641 21.804 -19.756 1.00 31.52 C ATOM 785 CD2 TYR A 54 23.457 20.568 -18.094 1.00 62.33 C ATOM 786 CE1 TYR A 54 25.598 22.151 -18.821 1.00 53.11 C ATOM 787 CE2 TYR A 54 24.414 20.911 -17.155 1.00 32.53 C ATOM 788 CZ TYR A 54 25.480 21.704 -17.524 1.00 2.30 C ATOM 789 OH TYR A 54 26.433 22.048 -16.595 1.00 25.04 O ATOM 0 H TYR A 54 21.140 20.006 -22.354 1.00 62.01 H new ATOM 0 HA TYR A 54 23.820 19.479 -21.699 1.00 33.33 H new ATOM 0 HB2 TYR A 54 22.373 21.490 -21.119 1.00 21.41 H new ATOM 0 HB3 TYR A 54 21.553 20.494 -19.932 1.00 21.41 H new ATOM 0 HD1 TYR A 54 24.738 22.160 -20.771 1.00 31.52 H new ATOM 0 HD2 TYR A 54 22.620 19.952 -17.800 1.00 62.33 H new ATOM 0 HE1 TYR A 54 26.435 22.770 -19.107 1.00 53.11 H new ATOM 0 HE2 TYR A 54 24.326 20.559 -16.138 1.00 32.53 H new ATOM 0 HH TYR A 54 26.202 21.653 -15.728 1.00 25.04 H new ATOM 799 N VAL A 55 21.602 17.769 -19.930 1.00 13.21 N ATOM 800 CA VAL A 55 21.478 16.658 -18.988 1.00 73.54 C ATOM 801 C VAL A 55 21.807 15.313 -19.640 1.00 63.52 C ATOM 802 O VAL A 55 22.468 14.469 -19.033 1.00 1.14 O ATOM 803 CB VAL A 55 20.074 16.597 -18.335 1.00 74.32 C ATOM 804 CG1 VAL A 55 19.756 17.910 -17.649 1.00 11.35 C ATOM 805 CG2 VAL A 55 18.987 16.257 -19.342 1.00 3.21 C ATOM 0 H VAL A 55 20.719 18.205 -20.193 1.00 13.21 H new ATOM 0 HA VAL A 55 22.211 16.849 -18.204 1.00 73.54 H new ATOM 0 HB VAL A 55 20.096 15.797 -17.595 1.00 74.32 H new ATOM 0 HG11 VAL A 55 18.767 17.853 -17.195 1.00 11.35 H new ATOM 0 HG12 VAL A 55 20.499 18.106 -16.876 1.00 11.35 H new ATOM 0 HG13 VAL A 55 19.773 18.717 -18.382 1.00 11.35 H new ATOM 0 HG21 VAL A 55 18.021 16.226 -18.838 1.00 3.21 H new ATOM 0 HG22 VAL A 55 18.964 17.017 -20.123 1.00 3.21 H new ATOM 0 HG23 VAL A 55 19.195 15.284 -19.788 1.00 3.21 H new ATOM 815 N GLU A 56 21.364 15.126 -20.876 1.00 10.40 N ATOM 816 CA GLU A 56 21.546 13.859 -21.574 1.00 61.52 C ATOM 817 C GLU A 56 22.998 13.656 -21.993 1.00 34.54 C ATOM 818 O GLU A 56 23.536 12.556 -21.879 1.00 73.34 O ATOM 819 CB GLU A 56 20.606 13.787 -22.780 1.00 74.35 C ATOM 820 CG GLU A 56 19.147 13.989 -22.393 1.00 71.41 C ATOM 821 CD GLU A 56 18.666 12.968 -21.385 1.00 3.14 C ATOM 822 OE1 GLU A 56 18.997 13.114 -20.193 1.00 13.14 O ATOM 823 OE2 GLU A 56 17.953 12.019 -21.771 1.00 12.33 O ATOM 0 H GLU A 56 20.874 15.838 -21.418 1.00 10.40 H new ATOM 0 HA GLU A 56 21.295 13.050 -20.888 1.00 61.52 H new ATOM 0 HB2 GLU A 56 20.894 14.546 -23.507 1.00 74.35 H new ATOM 0 HB3 GLU A 56 20.719 12.819 -23.268 1.00 74.35 H new ATOM 0 HG2 GLU A 56 19.020 14.990 -21.980 1.00 71.41 H new ATOM 0 HG3 GLU A 56 18.526 13.932 -23.287 1.00 71.41 H new ATOM 830 N LYS A 57 23.639 14.723 -22.455 1.00 70.11 N ATOM 831 CA LYS A 57 25.037 14.649 -22.871 1.00 60.22 C ATOM 832 C LYS A 57 25.976 14.460 -21.682 1.00 10.13 C ATOM 833 O LYS A 57 27.155 14.154 -21.854 1.00 34.22 O ATOM 834 CB LYS A 57 25.418 15.864 -23.708 1.00 64.25 C ATOM 835 CG LYS A 57 24.996 15.709 -25.161 1.00 75.40 C ATOM 836 CD LYS A 57 24.846 17.041 -25.866 1.00 11.15 C ATOM 837 CE LYS A 57 26.134 17.844 -25.885 1.00 5.52 C ATOM 838 NZ LYS A 57 25.952 19.127 -26.608 1.00 33.13 N ATOM 0 H LYS A 57 23.217 15.646 -22.551 1.00 70.11 H new ATOM 0 HA LYS A 57 25.150 13.765 -23.499 1.00 60.22 H new ATOM 0 HB2 LYS A 57 24.951 16.755 -23.288 1.00 64.25 H new ATOM 0 HB3 LYS A 57 26.496 16.015 -23.658 1.00 64.25 H new ATOM 0 HG2 LYS A 57 25.734 15.104 -25.688 1.00 75.40 H new ATOM 0 HG3 LYS A 57 24.050 15.169 -25.206 1.00 75.40 H new ATOM 0 HD2 LYS A 57 24.515 16.870 -26.890 1.00 11.15 H new ATOM 0 HD3 LYS A 57 24.068 17.623 -25.372 1.00 11.15 H new ATOM 0 HE2 LYS A 57 26.458 18.041 -24.863 1.00 5.52 H new ATOM 0 HE3 LYS A 57 26.922 17.262 -26.363 1.00 5.52 H new ATOM 0 HZ1 LYS A 57 26.702 19.792 -26.330 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 26.002 18.958 -27.633 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 25.024 19.532 -26.369 1.00 33.13 H new ATOM 852 N ASN A 58 25.465 14.684 -20.478 1.00 5.40 N ATOM 853 CA ASN A 58 26.214 14.370 -19.260 1.00 62.23 C ATOM 854 C ASN A 58 26.370 12.857 -19.096 1.00 64.30 C ATOM 855 O ASN A 58 27.256 12.393 -18.377 1.00 2.42 O ATOM 856 CB ASN A 58 25.528 14.970 -18.024 1.00 60.13 C ATOM 857 CG ASN A 58 25.916 16.416 -17.768 1.00 21.12 C ATOM 858 OD1 ASN A 58 26.285 17.133 -18.816 1.00 45.43 O flip ATOM 859 ND2 ASN A 58 25.887 16.885 -16.631 1.00 73.12 N flip ATOM 0 H ASN A 58 24.539 15.080 -20.315 1.00 5.40 H new ATOM 0 HA ASN A 58 27.205 14.814 -19.353 1.00 62.23 H new ATOM 0 HB2 ASN A 58 24.447 14.907 -18.150 1.00 60.13 H new ATOM 0 HB3 ASN A 58 25.782 14.372 -17.149 1.00 60.13 H new ATOM 0 HD21 ASN A 58 25.597 16.302 -15.846 1.00 73.12 H new ATOM 0 HD22 ASN A 58 26.153 17.857 -16.473 1.00 73.12 H new ATOM 866 N TRP A 59 25.505 12.099 -19.777 1.00 74.44 N ATOM 867 CA TRP A 59 25.538 10.632 -19.761 1.00 50.11 C ATOM 868 C TRP A 59 25.449 10.087 -18.336 1.00 20.21 C ATOM 869 O TRP A 59 26.188 9.181 -17.952 1.00 31.04 O ATOM 870 CB TRP A 59 26.806 10.109 -20.451 1.00 2.31 C ATOM 871 CG TRP A 59 26.933 10.542 -21.880 1.00 72.22 C ATOM 872 CD1 TRP A 59 27.926 11.308 -22.416 1.00 32.41 C ATOM 873 CD2 TRP A 59 26.032 10.242 -22.952 1.00 42.01 C ATOM 874 NE1 TRP A 59 27.698 11.506 -23.754 1.00 45.01 N ATOM 875 CE2 TRP A 59 26.543 10.862 -24.109 1.00 71.53 C ATOM 876 CE3 TRP A 59 24.845 9.512 -23.049 1.00 43.25 C ATOM 877 CZ2 TRP A 59 25.908 10.772 -25.344 1.00 24.34 C ATOM 878 CZ3 TRP A 59 24.215 9.425 -24.276 1.00 73.44 C ATOM 879 CH2 TRP A 59 24.747 10.051 -25.409 1.00 44.54 C ATOM 0 H TRP A 59 24.760 12.486 -20.357 1.00 74.44 H new ATOM 0 HA TRP A 59 24.667 10.278 -20.313 1.00 50.11 H new ATOM 0 HB2 TRP A 59 27.679 10.453 -19.897 1.00 2.31 H new ATOM 0 HB3 TRP A 59 26.810 9.020 -20.408 1.00 2.31 H new ATOM 0 HD1 TRP A 59 28.769 11.701 -21.867 1.00 32.41 H new ATOM 0 HE1 TRP A 59 28.293 12.046 -24.383 1.00 45.01 H new ATOM 0 HE3 TRP A 59 24.427 9.024 -22.181 1.00 43.25 H new ATOM 0 HZ2 TRP A 59 26.317 11.254 -26.220 1.00 24.34 H new ATOM 0 HZ3 TRP A 59 23.296 8.864 -24.362 1.00 73.44 H new ATOM 0 HH2 TRP A 59 24.231 9.963 -26.354 1.00 44.54 H new ATOM 890 N THR A 60 24.533 10.642 -17.561 1.00 25.34 N ATOM 891 CA THR A 60 24.332 10.213 -16.188 1.00 53.12 C ATOM 892 C THR A 60 23.388 9.011 -16.122 1.00 52.32 C ATOM 893 O THR A 60 22.202 9.121 -16.444 1.00 3.14 O ATOM 894 CB THR A 60 23.768 11.368 -15.338 1.00 72.14 C ATOM 895 OG1 THR A 60 22.619 11.939 -15.983 1.00 12.01 O ATOM 896 CG2 THR A 60 24.817 12.450 -15.114 1.00 24.55 C ATOM 0 H THR A 60 23.914 11.395 -17.862 1.00 25.34 H new ATOM 0 HA THR A 60 25.301 9.916 -15.786 1.00 53.12 H new ATOM 0 HB THR A 60 23.479 10.961 -14.369 1.00 72.14 H new ATOM 0 HG1 THR A 60 21.804 11.617 -15.544 1.00 12.01 H new ATOM 0 HG21 THR A 60 24.390 13.252 -14.511 1.00 24.55 H new ATOM 0 HG22 THR A 60 25.675 12.023 -14.595 1.00 24.55 H new ATOM 0 HG23 THR A 60 25.138 12.851 -16.076 1.00 24.55 H new ATOM 904 N ASP A 61 23.920 7.860 -15.722 1.00 33.13 N ATOM 905 CA ASP A 61 23.116 6.646 -15.606 1.00 24.12 C ATOM 906 C ASP A 61 22.470 6.592 -14.221 1.00 25.15 C ATOM 907 O ASP A 61 22.796 7.407 -13.355 1.00 35.34 O ATOM 908 CB ASP A 61 23.985 5.401 -15.855 1.00 2.25 C ATOM 909 CG ASP A 61 23.178 4.122 -16.063 1.00 11.43 C ATOM 910 OD1 ASP A 61 21.942 4.202 -16.231 1.00 12.31 O ATOM 911 OD2 ASP A 61 23.783 3.027 -16.067 1.00 4.15 O ATOM 0 H ASP A 61 24.902 7.742 -15.473 1.00 33.13 H new ATOM 0 HA ASP A 61 22.329 6.661 -16.360 1.00 24.12 H new ATOM 0 HB2 ASP A 61 24.609 5.573 -16.732 1.00 2.25 H new ATOM 0 HB3 ASP A 61 24.657 5.262 -15.008 1.00 2.25 H new ATOM 916 N LEU A 62 21.571 5.628 -14.026 1.00 21.55 N ATOM 917 CA LEU A 62 20.784 5.495 -12.797 1.00 3.00 C ATOM 918 C LEU A 62 19.776 6.634 -12.688 1.00 51.34 C ATOM 919 O LEU A 62 20.066 7.696 -12.139 1.00 51.51 O ATOM 920 CB LEU A 62 21.666 5.420 -11.536 1.00 71.54 C ATOM 921 CG LEU A 62 22.355 4.071 -11.275 1.00 32.22 C ATOM 922 CD1 LEU A 62 21.340 2.940 -11.264 1.00 31.24 C ATOM 923 CD2 LEU A 62 23.446 3.800 -12.301 1.00 22.21 C ATOM 0 H LEU A 62 21.365 4.911 -14.721 1.00 21.55 H new ATOM 0 HA LEU A 62 20.246 4.549 -12.859 1.00 3.00 H new ATOM 0 HB2 LEU A 62 22.434 6.190 -11.608 1.00 71.54 H new ATOM 0 HB3 LEU A 62 21.050 5.664 -10.671 1.00 71.54 H new ATOM 0 HG LEU A 62 22.824 4.123 -10.292 1.00 32.22 H new ATOM 0 HD11 LEU A 62 21.850 1.995 -11.078 1.00 31.24 H new ATOM 0 HD12 LEU A 62 20.606 3.117 -10.478 1.00 31.24 H new ATOM 0 HD13 LEU A 62 20.835 2.895 -12.229 1.00 31.24 H new ATOM 0 HD21 LEU A 62 23.914 2.839 -12.089 1.00 22.21 H new ATOM 0 HD22 LEU A 62 23.009 3.779 -13.299 1.00 22.21 H new ATOM 0 HD23 LEU A 62 24.197 4.588 -12.250 1.00 22.21 H new ATOM 935 N ARG A 63 18.591 6.398 -13.233 1.00 42.45 N ATOM 936 CA ARG A 63 17.560 7.422 -13.331 1.00 32.00 C ATOM 937 C ARG A 63 16.205 6.859 -12.921 1.00 0.32 C ATOM 938 O ARG A 63 16.055 5.645 -12.785 1.00 73.24 O ATOM 939 CB ARG A 63 17.472 7.932 -14.774 1.00 41.05 C ATOM 940 CG ARG A 63 18.719 8.643 -15.258 1.00 42.42 C ATOM 941 CD ARG A 63 18.556 9.129 -16.686 1.00 14.22 C ATOM 942 NE ARG A 63 19.647 10.009 -17.086 1.00 25.55 N ATOM 943 CZ ARG A 63 19.553 10.906 -18.062 1.00 25.12 C ATOM 944 NH1 ARG A 63 18.463 10.968 -18.811 1.00 1.23 N ATOM 945 NH2 ARG A 63 20.561 11.732 -18.312 1.00 53.21 N ATOM 0 H ARG A 63 18.317 5.494 -13.619 1.00 42.45 H new ATOM 0 HA ARG A 63 17.824 8.241 -12.662 1.00 32.00 H new ATOM 0 HB2 ARG A 63 17.269 7.089 -15.434 1.00 41.05 H new ATOM 0 HB3 ARG A 63 16.624 8.612 -14.856 1.00 41.05 H new ATOM 0 HG2 ARG A 63 18.934 9.489 -14.606 1.00 42.42 H new ATOM 0 HG3 ARG A 63 19.573 7.968 -15.196 1.00 42.42 H new ATOM 0 HD2 ARG A 63 18.514 8.273 -17.359 1.00 14.22 H new ATOM 0 HD3 ARG A 63 17.608 9.658 -16.784 1.00 14.22 H new ATOM 0 HE ARG A 63 20.534 9.932 -16.588 1.00 25.55 H new ATOM 0 HH11 ARG A 63 17.690 10.325 -18.640 1.00 1.23 H new ATOM 0 HH12 ARG A 63 18.397 11.659 -19.559 1.00 1.23 H new ATOM 0 HH21 ARG A 63 21.413 11.680 -17.754 1.00 53.21 H new ATOM 0 HH22 ARG A 63 20.484 12.419 -19.062 1.00 53.21 H new ATOM 959 N PRO A 64 15.201 7.726 -12.708 1.00 42.03 N ATOM 960 CA PRO A 64 13.821 7.283 -12.532 1.00 50.30 C ATOM 961 C PRO A 64 13.322 6.594 -13.798 1.00 15.45 C ATOM 962 O PRO A 64 13.121 7.244 -14.827 1.00 33.12 O ATOM 963 CB PRO A 64 13.043 8.578 -12.271 1.00 33.03 C ATOM 964 CG PRO A 64 13.917 9.669 -12.791 1.00 44.51 C ATOM 965 CD PRO A 64 15.328 9.191 -12.613 1.00 5.45 C ATOM 0 HA PRO A 64 13.706 6.561 -11.723 1.00 50.30 H new ATOM 0 HB2 PRO A 64 12.079 8.568 -12.781 1.00 33.03 H new ATOM 0 HB3 PRO A 64 12.840 8.708 -11.208 1.00 33.03 H new ATOM 0 HG2 PRO A 64 13.704 9.873 -13.840 1.00 44.51 H new ATOM 0 HG3 PRO A 64 13.748 10.597 -12.245 1.00 44.51 H new ATOM 0 HD2 PRO A 64 15.988 9.589 -13.384 1.00 5.45 H new ATOM 0 HD3 PRO A 64 15.739 9.498 -11.651 1.00 5.45 H new ATOM 973 N LYS A 65 13.164 5.278 -13.726 1.00 63.55 N ATOM 974 CA LYS A 65 12.832 4.471 -14.894 1.00 13.53 C ATOM 975 C LYS A 65 11.554 4.974 -15.559 1.00 63.33 C ATOM 976 O LYS A 65 10.454 4.805 -15.029 1.00 73.10 O ATOM 977 CB LYS A 65 12.684 3.005 -14.486 1.00 62.35 C ATOM 978 CG LYS A 65 12.854 2.029 -15.636 1.00 44.04 C ATOM 979 CD LYS A 65 12.699 0.592 -15.163 1.00 24.10 C ATOM 980 CE LYS A 65 13.059 -0.410 -16.250 1.00 53.25 C ATOM 981 NZ LYS A 65 14.507 -0.375 -16.593 1.00 31.21 N ATOM 0 H LYS A 65 13.261 4.743 -12.863 1.00 63.55 H new ATOM 0 HA LYS A 65 13.642 4.558 -15.618 1.00 13.53 H new ATOM 0 HB2 LYS A 65 13.420 2.776 -13.715 1.00 62.35 H new ATOM 0 HB3 LYS A 65 11.700 2.859 -14.040 1.00 62.35 H new ATOM 0 HG2 LYS A 65 12.116 2.242 -16.410 1.00 44.04 H new ATOM 0 HG3 LYS A 65 13.837 2.162 -16.088 1.00 44.04 H new ATOM 0 HD2 LYS A 65 13.335 0.427 -14.293 1.00 24.10 H new ATOM 0 HD3 LYS A 65 11.671 0.425 -14.843 1.00 24.10 H new ATOM 0 HE2 LYS A 65 12.790 -1.413 -15.920 1.00 53.25 H new ATOM 0 HE3 LYS A 65 12.471 -0.200 -17.144 1.00 53.25 H new ATOM 0 HZ1 LYS A 65 14.752 -1.217 -17.152 1.00 31.21 H new ATOM 0 HZ2 LYS A 65 14.712 0.480 -17.148 1.00 31.21 H new ATOM 0 HZ3 LYS A 65 15.071 -0.364 -15.719 1.00 31.21 H new ATOM 995 N SER A 66 11.711 5.620 -16.703 1.00 23.25 N ATOM 996 CA SER A 66 10.579 6.157 -17.436 1.00 12.53 C ATOM 997 C SER A 66 9.923 5.067 -18.279 1.00 33.45 C ATOM 998 O SER A 66 10.275 4.865 -19.441 1.00 53.54 O ATOM 999 CB SER A 66 11.036 7.315 -18.322 1.00 3.34 C ATOM 1000 OG SER A 66 11.787 8.259 -17.575 1.00 43.50 O ATOM 0 H SER A 66 12.616 5.785 -17.144 1.00 23.25 H new ATOM 0 HA SER A 66 9.842 6.528 -16.724 1.00 12.53 H new ATOM 0 HB2 SER A 66 11.641 6.932 -19.144 1.00 3.34 H new ATOM 0 HB3 SER A 66 10.168 7.804 -18.765 1.00 3.34 H new ATOM 0 HG SER A 66 12.070 8.990 -18.163 1.00 43.50 H new ATOM 1006 N LEU A 67 8.998 4.339 -17.671 1.00 44.51 N ATOM 1007 CA LEU A 67 8.311 3.254 -18.347 1.00 12.45 C ATOM 1008 C LEU A 67 6.908 3.087 -17.783 1.00 63.32 C ATOM 1009 O LEU A 67 6.708 3.128 -16.571 1.00 55.43 O ATOM 1010 CB LEU A 67 9.098 1.947 -18.186 1.00 61.34 C ATOM 1011 CG LEU A 67 8.506 0.734 -18.906 1.00 40.13 C ATOM 1012 CD1 LEU A 67 8.514 0.944 -20.412 1.00 43.43 C ATOM 1013 CD2 LEU A 67 9.264 -0.531 -18.534 1.00 40.31 C ATOM 0 H LEU A 67 8.706 4.483 -16.704 1.00 44.51 H new ATOM 0 HA LEU A 67 8.239 3.495 -19.408 1.00 12.45 H new ATOM 0 HB2 LEU A 67 10.113 2.106 -18.551 1.00 61.34 H new ATOM 0 HB3 LEU A 67 9.174 1.717 -17.123 1.00 61.34 H new ATOM 0 HG LEU A 67 7.470 0.619 -18.586 1.00 40.13 H new ATOM 0 HD11 LEU A 67 8.089 0.069 -20.904 1.00 43.43 H new ATOM 0 HD12 LEU A 67 7.920 1.824 -20.660 1.00 43.43 H new ATOM 0 HD13 LEU A 67 9.539 1.090 -20.754 1.00 43.43 H new ATOM 0 HD21 LEU A 67 8.828 -1.383 -19.056 1.00 40.31 H new ATOM 0 HD22 LEU A 67 10.310 -0.426 -18.821 1.00 40.31 H new ATOM 0 HD23 LEU A 67 9.197 -0.692 -17.458 1.00 40.31 H new ATOM 1025 N ARG A 68 5.940 2.918 -18.669 1.00 14.23 N ATOM 1026 CA ARG A 68 4.561 2.702 -18.259 1.00 22.22 C ATOM 1027 C ARG A 68 4.061 1.359 -18.785 1.00 73.40 C ATOM 1028 O ARG A 68 3.349 0.637 -18.090 1.00 12.31 O ATOM 1029 CB ARG A 68 3.662 3.845 -18.755 1.00 54.24 C ATOM 1030 CG ARG A 68 3.646 4.002 -20.266 1.00 45.11 C ATOM 1031 CD ARG A 68 2.600 5.003 -20.718 1.00 35.31 C ATOM 1032 NE ARG A 68 2.441 4.987 -22.171 1.00 31.44 N ATOM 1033 CZ ARG A 68 1.500 4.284 -22.806 1.00 50.02 C ATOM 1034 NH1 ARG A 68 0.606 3.582 -22.115 1.00 73.03 N ATOM 1035 NH2 ARG A 68 1.452 4.298 -24.132 1.00 42.20 N ATOM 0 H ARG A 68 6.084 2.926 -19.679 1.00 14.23 H new ATOM 0 HA ARG A 68 4.521 2.688 -17.170 1.00 22.22 H new ATOM 0 HB2 ARG A 68 2.644 3.671 -18.406 1.00 54.24 H new ATOM 0 HB3 ARG A 68 3.998 4.780 -18.306 1.00 54.24 H new ATOM 0 HG2 ARG A 68 4.629 4.325 -20.608 1.00 45.11 H new ATOM 0 HG3 ARG A 68 3.448 3.036 -20.730 1.00 45.11 H new ATOM 0 HD2 ARG A 68 1.646 4.774 -20.243 1.00 35.31 H new ATOM 0 HD3 ARG A 68 2.886 6.003 -20.393 1.00 35.31 H new ATOM 0 HE ARG A 68 3.085 5.544 -22.732 1.00 31.44 H new ATOM 0 HH11 ARG A 68 0.637 3.579 -21.095 1.00 73.03 H new ATOM 0 HH12 ARG A 68 -0.111 3.047 -22.605 1.00 73.03 H new ATOM 0 HH21 ARG A 68 2.132 4.844 -24.661 1.00 42.20 H new ATOM 0 HH22 ARG A 68 0.735 3.763 -24.622 1.00 42.20 H new ATOM 1049 N ASP A 69 4.457 1.031 -20.010 1.00 43.42 N ATOM 1050 CA ASP A 69 4.087 -0.227 -20.646 1.00 35.03 C ATOM 1051 C ASP A 69 5.040 -0.499 -21.801 1.00 44.35 C ATOM 1052 O ASP A 69 5.396 0.422 -22.540 1.00 24.24 O ATOM 1053 CB ASP A 69 2.640 -0.174 -21.154 1.00 15.24 C ATOM 1054 CG ASP A 69 2.199 -1.476 -21.794 1.00 5.01 C ATOM 1055 OD1 ASP A 69 1.902 -2.437 -21.054 1.00 51.34 O ATOM 1056 OD2 ASP A 69 2.140 -1.544 -23.039 1.00 2.22 O ATOM 0 H ASP A 69 5.044 1.631 -20.590 1.00 43.42 H new ATOM 0 HA ASP A 69 4.157 -1.032 -19.914 1.00 35.03 H new ATOM 0 HB2 ASP A 69 1.975 0.061 -20.323 1.00 15.24 H new ATOM 0 HB3 ASP A 69 2.543 0.634 -21.879 1.00 15.24 H new ATOM 1061 N ALA A 70 5.458 -1.748 -21.950 1.00 31.34 N ATOM 1062 CA ALA A 70 6.449 -2.110 -22.955 1.00 34.42 C ATOM 1063 C ALA A 70 5.798 -2.379 -24.305 1.00 3.43 C ATOM 1064 O ALA A 70 4.966 -3.277 -24.442 1.00 31.54 O ATOM 1065 CB ALA A 70 7.242 -3.326 -22.499 1.00 74.14 C ATOM 0 H ALA A 70 5.125 -2.530 -21.386 1.00 31.34 H new ATOM 0 HA ALA A 70 7.129 -1.267 -23.074 1.00 34.42 H new ATOM 0 HB1 ALA A 70 7.979 -3.586 -23.259 1.00 74.14 H new ATOM 0 HB2 ALA A 70 7.751 -3.098 -21.563 1.00 74.14 H new ATOM 0 HB3 ALA A 70 6.565 -4.167 -22.348 1.00 74.14 H new ATOM 1071 N MET A 71 6.178 -1.593 -25.299 1.00 45.13 N ATOM 1072 CA MET A 71 5.682 -1.771 -26.656 1.00 4.24 C ATOM 1073 C MET A 71 6.855 -1.977 -27.607 1.00 23.21 C ATOM 1074 O MET A 71 7.608 -1.046 -27.882 1.00 22.34 O ATOM 1075 CB MET A 71 4.861 -0.551 -27.090 1.00 35.40 C ATOM 1076 CG MET A 71 4.269 -0.670 -28.488 1.00 23.12 C ATOM 1077 SD MET A 71 3.058 -2.002 -28.622 1.00 51.33 S ATOM 1078 CE MET A 71 1.784 -1.416 -27.505 1.00 40.34 C ATOM 0 H MET A 71 6.834 -0.819 -25.191 1.00 45.13 H new ATOM 0 HA MET A 71 5.037 -2.649 -26.684 1.00 4.24 H new ATOM 0 HB2 MET A 71 4.052 -0.397 -26.376 1.00 35.40 H new ATOM 0 HB3 MET A 71 5.495 0.335 -27.049 1.00 35.40 H new ATOM 0 HG2 MET A 71 3.796 0.274 -28.759 1.00 23.12 H new ATOM 0 HG3 MET A 71 5.072 -0.842 -29.205 1.00 23.12 H new ATOM 0 HE1 MET A 71 0.846 -1.928 -27.722 1.00 40.34 H new ATOM 0 HE2 MET A 71 2.080 -1.621 -26.476 1.00 40.34 H new ATOM 0 HE3 MET A 71 1.650 -0.342 -27.637 1.00 40.34 H new ATOM 1088 N VAL A 72 7.021 -3.201 -28.086 1.00 63.22 N ATOM 1089 CA VAL A 72 8.122 -3.524 -28.983 1.00 20.35 C ATOM 1090 C VAL A 72 7.691 -3.331 -30.430 1.00 74.04 C ATOM 1091 O VAL A 72 8.242 -2.502 -31.152 1.00 55.44 O ATOM 1092 CB VAL A 72 8.612 -4.976 -28.785 1.00 25.34 C ATOM 1093 CG1 VAL A 72 9.800 -5.273 -29.684 1.00 15.15 C ATOM 1094 CG2 VAL A 72 8.968 -5.233 -27.329 1.00 1.10 C ATOM 0 H VAL A 72 6.408 -3.987 -27.869 1.00 63.22 H new ATOM 0 HA VAL A 72 8.945 -2.850 -28.747 1.00 20.35 H new ATOM 0 HB VAL A 72 7.798 -5.646 -29.062 1.00 25.34 H new ATOM 0 HG11 VAL A 72 10.127 -6.301 -29.527 1.00 15.15 H new ATOM 0 HG12 VAL A 72 9.510 -5.140 -30.726 1.00 15.15 H new ATOM 0 HG13 VAL A 72 10.617 -4.592 -29.445 1.00 15.15 H new ATOM 0 HG21 VAL A 72 9.310 -6.261 -27.214 1.00 1.10 H new ATOM 0 HG22 VAL A 72 9.761 -4.550 -27.022 1.00 1.10 H new ATOM 0 HG23 VAL A 72 8.089 -5.072 -26.705 1.00 1.10 H new ATOM 1104 N GLU A 73 6.692 -4.093 -30.841 1.00 42.10 N ATOM 1105 CA GLU A 73 6.163 -3.987 -32.186 1.00 31.53 C ATOM 1106 C GLU A 73 4.642 -4.062 -32.168 1.00 63.01 C ATOM 1107 O GLU A 73 4.049 -4.781 -31.362 1.00 71.10 O ATOM 1108 CB GLU A 73 6.783 -5.055 -33.105 1.00 14.44 C ATOM 1109 CG GLU A 73 6.878 -6.452 -32.499 1.00 61.51 C ATOM 1110 CD GLU A 73 5.544 -7.169 -32.416 1.00 54.52 C ATOM 1111 OE1 GLU A 73 4.879 -7.314 -33.460 1.00 71.22 O ATOM 1112 OE2 GLU A 73 5.160 -7.596 -31.308 1.00 45.14 O ATOM 0 H GLU A 73 6.231 -4.793 -30.259 1.00 42.10 H new ATOM 0 HA GLU A 73 6.438 -3.015 -32.595 1.00 31.53 H new ATOM 0 HB2 GLU A 73 6.193 -5.112 -34.020 1.00 14.44 H new ATOM 0 HB3 GLU A 73 7.784 -4.730 -33.390 1.00 14.44 H new ATOM 0 HG2 GLU A 73 7.567 -7.051 -33.094 1.00 61.51 H new ATOM 0 HG3 GLU A 73 7.304 -6.377 -31.498 1.00 61.51 H new ATOM 1119 N ASP A 74 4.022 -3.286 -33.035 1.00 54.20 N ATOM 1120 CA ASP A 74 2.577 -3.224 -33.110 1.00 62.35 C ATOM 1121 C ASP A 74 2.131 -3.247 -34.565 1.00 53.00 C ATOM 1122 O ASP A 74 2.417 -2.283 -35.307 1.00 23.45 O ATOM 1123 CB ASP A 74 2.033 -1.986 -32.369 1.00 30.50 C ATOM 1124 CG ASP A 74 2.580 -0.659 -32.877 1.00 30.14 C ATOM 1125 OD1 ASP A 74 3.815 -0.464 -32.870 1.00 23.10 O ATOM 1126 OD2 ASP A 74 1.770 0.210 -33.267 1.00 50.44 O ATOM 1127 OXT ASP A 74 1.521 -4.257 -34.973 1.00 0.00 O ATOM 0 H ASP A 74 4.503 -2.684 -33.703 1.00 54.20 H new ATOM 0 HA ASP A 74 2.163 -4.100 -32.612 1.00 62.35 H new ATOM 0 HB2 ASP A 74 0.946 -1.974 -32.455 1.00 30.50 H new ATOM 0 HB3 ASP A 74 2.268 -2.080 -31.309 1.00 30.50 H new TER 1132 ASP A 74