USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 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 5 SER OG : rot -140:sc= 0.862 USER MOD Set 1.2: A 75 SER OG : rot -157:sc= 0.987 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.664 F(o=-2.7!,f=-0.66) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.014) USER MOD Single : A 47 HIS : no HD1:sc= -0.632 X(o=-0.63,f=-0.98) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 12:sc= 0.73 USER MOD Single : A 57 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.4) USER MOD Single : A 58 GLN : amide:sc= 0.234 X(o=0.23,f=0.089) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 99:sc= 1.86 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.550 -15.862 -5.482 1.00 0.00 N ATOM 2 CA GLY A 1 9.472 -15.380 -6.494 1.00 0.00 C ATOM 3 C GLY A 1 8.803 -15.177 -7.839 1.00 0.00 C ATOM 4 O GLY A 1 8.722 -16.103 -8.645 1.00 0.00 O ATOM 0 H1 GLY A 1 9.056 -15.985 -4.582 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.781 -15.173 -5.356 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.151 -16.774 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.909 -14.438 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.291 -16.091 -6.603 1.00 0.00 H new ATOM 8 N SER A 2 8.320 -13.962 -8.080 1.00 0.00 N ATOM 9 CA SER A 2 7.649 -13.642 -9.335 1.00 0.00 C ATOM 10 C SER A 2 8.628 -13.032 -10.334 1.00 0.00 C ATOM 11 O SER A 2 9.022 -11.873 -10.205 1.00 0.00 O ATOM 12 CB SER A 2 6.489 -12.676 -9.085 1.00 0.00 C ATOM 13 OG SER A 2 5.393 -13.340 -8.480 1.00 0.00 O ATOM 0 H SER A 2 8.381 -13.184 -7.423 1.00 0.00 H new ATOM 0 HA SER A 2 7.257 -14.568 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.823 -11.860 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.173 -12.231 -10.028 1.00 0.00 H new ATOM 0 HG SER A 2 4.666 -12.701 -8.329 1.00 0.00 H new ATOM 19 N SER A 3 9.015 -13.822 -11.330 1.00 0.00 N ATOM 20 CA SER A 3 9.950 -13.362 -12.350 1.00 0.00 C ATOM 21 C SER A 3 11.063 -12.524 -11.729 1.00 0.00 C ATOM 22 O SER A 3 11.363 -11.425 -12.195 1.00 0.00 O ATOM 23 CB SER A 3 9.216 -12.546 -13.415 1.00 0.00 C ATOM 24 OG SER A 3 8.579 -13.392 -14.357 1.00 0.00 O ATOM 0 H SER A 3 8.696 -14.783 -11.452 1.00 0.00 H new ATOM 0 HA SER A 3 10.397 -14.239 -12.819 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.475 -11.904 -12.939 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.922 -11.893 -13.927 1.00 0.00 H new ATOM 0 HG SER A 3 8.116 -12.846 -15.026 1.00 0.00 H new ATOM 30 N GLY A 4 11.673 -13.051 -10.672 1.00 0.00 N ATOM 31 CA GLY A 4 12.746 -12.339 -10.002 1.00 0.00 C ATOM 32 C GLY A 4 12.250 -11.505 -8.838 1.00 0.00 C ATOM 33 O GLY A 4 11.405 -11.951 -8.061 1.00 0.00 O ATOM 0 H GLY A 4 11.443 -13.959 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.485 -13.056 -9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.252 -11.692 -10.719 1.00 0.00 H new ATOM 37 N SER A 5 12.778 -10.291 -8.715 1.00 0.00 N ATOM 38 CA SER A 5 12.387 -9.395 -7.633 1.00 0.00 C ATOM 39 C SER A 5 11.858 -8.075 -8.186 1.00 0.00 C ATOM 40 O SER A 5 12.629 -7.172 -8.512 1.00 0.00 O ATOM 41 CB SER A 5 13.576 -9.132 -6.706 1.00 0.00 C ATOM 42 OG SER A 5 13.277 -8.111 -5.770 1.00 0.00 O ATOM 0 H SER A 5 13.477 -9.906 -9.350 1.00 0.00 H new ATOM 0 HA SER A 5 11.591 -9.876 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.839 -10.048 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.445 -8.844 -7.297 1.00 0.00 H new ATOM 0 HG SER A 5 14.061 -7.535 -5.653 1.00 0.00 H new ATOM 48 N SER A 6 10.537 -7.971 -8.288 1.00 0.00 N ATOM 49 CA SER A 6 9.903 -6.764 -8.805 1.00 0.00 C ATOM 50 C SER A 6 8.790 -6.293 -7.873 1.00 0.00 C ATOM 51 O SER A 6 7.946 -7.080 -7.449 1.00 0.00 O ATOM 52 CB SER A 6 9.339 -7.017 -10.204 1.00 0.00 C ATOM 53 OG SER A 6 8.519 -5.941 -10.626 1.00 0.00 O ATOM 0 H SER A 6 9.885 -8.708 -8.019 1.00 0.00 H new ATOM 0 HA SER A 6 10.660 -5.982 -8.863 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.158 -7.153 -10.910 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.761 -7.941 -10.205 1.00 0.00 H new ATOM 0 HG SER A 6 8.172 -6.126 -11.524 1.00 0.00 H new ATOM 59 N GLY A 7 8.797 -5.001 -7.559 1.00 0.00 N ATOM 60 CA GLY A 7 7.784 -4.446 -6.680 1.00 0.00 C ATOM 61 C GLY A 7 8.374 -3.868 -5.408 1.00 0.00 C ATOM 62 O GLY A 7 9.044 -4.571 -4.653 1.00 0.00 O ATOM 0 H GLY A 7 9.486 -4.329 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.235 -3.667 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.065 -5.224 -6.423 1.00 0.00 H new ATOM 66 N GLN A 8 8.126 -2.584 -5.173 1.00 0.00 N ATOM 67 CA GLN A 8 8.639 -1.912 -3.986 1.00 0.00 C ATOM 68 C GLN A 8 7.770 -2.216 -2.770 1.00 0.00 C ATOM 69 O GLN A 8 6.546 -2.095 -2.823 1.00 0.00 O ATOM 70 CB GLN A 8 8.704 -0.401 -4.216 1.00 0.00 C ATOM 71 CG GLN A 8 9.960 0.050 -4.945 1.00 0.00 C ATOM 72 CD GLN A 8 9.878 1.490 -5.412 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.957 2.420 -4.609 1.00 0.00 O ATOM 74 NE2 GLN A 8 9.720 1.682 -6.716 1.00 0.00 N ATOM 0 H GLN A 8 7.573 -1.988 -5.789 1.00 0.00 H new ATOM 0 HA GLN A 8 9.645 -2.286 -3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.830 -0.091 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.650 0.107 -3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.820 -0.066 -4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.129 -0.598 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.659 0.882 -7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.659 2.630 -7.088 1.00 0.00 H new ATOM 83 N TYR A 9 8.411 -2.612 -1.675 1.00 0.00 N ATOM 84 CA TYR A 9 7.696 -2.936 -0.446 1.00 0.00 C ATOM 85 C TYR A 9 7.829 -1.810 0.574 1.00 0.00 C ATOM 86 O TYR A 9 8.898 -1.220 0.730 1.00 0.00 O ATOM 87 CB TYR A 9 8.226 -4.242 0.147 1.00 0.00 C ATOM 88 CG TYR A 9 8.381 -5.350 -0.870 1.00 0.00 C ATOM 89 CD1 TYR A 9 7.323 -5.718 -1.692 1.00 0.00 C ATOM 90 CD2 TYR A 9 9.585 -6.029 -1.009 1.00 0.00 C ATOM 91 CE1 TYR A 9 7.459 -6.731 -2.622 1.00 0.00 C ATOM 92 CE2 TYR A 9 9.731 -7.042 -1.937 1.00 0.00 C ATOM 93 CZ TYR A 9 8.666 -7.389 -2.741 1.00 0.00 C ATOM 94 OH TYR A 9 8.806 -8.397 -3.667 1.00 0.00 O ATOM 0 H TYR A 9 9.424 -2.716 -1.614 1.00 0.00 H new ATOM 0 HA TYR A 9 6.641 -3.057 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.192 -4.053 0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.549 -4.575 0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.378 -5.203 -1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.421 -5.760 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.626 -7.006 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.674 -7.559 -2.032 1.00 0.00 H new ATOM 0 HH TYR A 9 9.717 -8.756 -3.624 1.00 0.00 H new ATOM 104 N PHE A 10 6.734 -1.517 1.269 1.00 0.00 N ATOM 105 CA PHE A 10 6.726 -0.462 2.275 1.00 0.00 C ATOM 106 C PHE A 10 6.010 -0.923 3.541 1.00 0.00 C ATOM 107 O PHE A 10 5.214 -1.861 3.511 1.00 0.00 O ATOM 108 CB PHE A 10 6.051 0.795 1.722 1.00 0.00 C ATOM 109 CG PHE A 10 6.969 1.661 0.909 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.448 1.227 -0.317 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.355 2.909 1.371 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.293 2.022 -1.068 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.200 3.708 0.624 1.00 0.00 C ATOM 114 CZ PHE A 10 8.671 3.264 -0.596 1.00 0.00 C ATOM 0 H PHE A 10 5.841 -1.996 1.153 1.00 0.00 H new ATOM 0 HA PHE A 10 7.760 -0.228 2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.202 0.500 1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.654 1.379 2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.157 0.256 -0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.992 3.261 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.657 1.673 -2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.492 4.680 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.333 3.886 -1.180 1.00 0.00 H new ATOM 124 N VAL A 11 6.300 -0.256 4.654 1.00 0.00 N ATOM 125 CA VAL A 11 5.684 -0.596 5.931 1.00 0.00 C ATOM 126 C VAL A 11 4.943 0.600 6.519 1.00 0.00 C ATOM 127 O VAL A 11 5.432 1.728 6.478 1.00 0.00 O ATOM 128 CB VAL A 11 6.732 -1.086 6.947 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.784 -0.014 7.188 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.062 -1.490 8.251 1.00 0.00 C ATOM 0 H VAL A 11 6.957 0.523 4.697 1.00 0.00 H new ATOM 0 HA VAL A 11 4.974 -1.400 5.736 1.00 0.00 H new ATOM 0 HB VAL A 11 7.230 -1.964 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.516 -0.378 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.285 0.222 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.306 0.884 7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.818 -1.834 8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.536 -0.632 8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.351 -2.294 8.061 1.00 0.00 H new ATOM 140 N ALA A 12 3.759 0.344 7.066 1.00 0.00 N ATOM 141 CA ALA A 12 2.950 1.399 7.665 1.00 0.00 C ATOM 142 C ALA A 12 3.473 1.773 9.048 1.00 0.00 C ATOM 143 O ALA A 12 3.333 1.009 10.004 1.00 0.00 O ATOM 144 CB ALA A 12 1.494 0.965 7.749 1.00 0.00 C ATOM 0 H ALA A 12 3.339 -0.585 7.107 1.00 0.00 H new ATOM 0 HA ALA A 12 3.018 2.281 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.902 1.762 8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.119 0.754 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.417 0.067 8.362 1.00 0.00 H new ATOM 150 N LEU A 13 4.077 2.952 9.148 1.00 0.00 N ATOM 151 CA LEU A 13 4.622 3.428 10.415 1.00 0.00 C ATOM 152 C LEU A 13 3.509 3.675 11.428 1.00 0.00 C ATOM 153 O LEU A 13 3.662 3.392 12.616 1.00 0.00 O ATOM 154 CB LEU A 13 5.424 4.712 10.197 1.00 0.00 C ATOM 155 CG LEU A 13 6.521 4.646 9.134 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.784 6.026 8.553 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.797 4.060 9.720 1.00 0.00 C ATOM 0 H LEU A 13 4.202 3.596 8.367 1.00 0.00 H new ATOM 0 HA LEU A 13 5.283 2.657 10.811 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.731 5.508 9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.881 4.996 11.145 1.00 0.00 H new ATOM 0 HG LEU A 13 6.182 3.994 8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.568 5.960 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.871 6.408 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.102 6.701 9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.567 4.021 8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.140 4.686 10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.600 3.053 10.087 1.00 0.00 H new ATOM 169 N PHE A 14 2.387 4.204 10.949 1.00 0.00 N ATOM 170 CA PHE A 14 1.247 4.488 11.813 1.00 0.00 C ATOM 171 C PHE A 14 -0.057 4.051 11.153 1.00 0.00 C ATOM 172 O PHE A 14 -0.177 4.054 9.928 1.00 0.00 O ATOM 173 CB PHE A 14 1.190 5.982 12.142 1.00 0.00 C ATOM 174 CG PHE A 14 2.538 6.590 12.404 1.00 0.00 C ATOM 175 CD1 PHE A 14 3.064 6.614 13.686 1.00 0.00 C ATOM 176 CD2 PHE A 14 3.279 7.138 11.370 1.00 0.00 C ATOM 177 CE1 PHE A 14 4.304 7.172 13.931 1.00 0.00 C ATOM 178 CE2 PHE A 14 4.520 7.698 11.609 1.00 0.00 C ATOM 179 CZ PHE A 14 5.032 7.716 12.891 1.00 0.00 C ATOM 0 H PHE A 14 2.243 4.444 9.968 1.00 0.00 H new ATOM 0 HA PHE A 14 1.373 3.924 12.737 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.717 6.510 11.314 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.558 6.129 13.017 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.498 6.192 14.503 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.883 7.128 10.365 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.703 7.183 14.934 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.088 8.121 10.794 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.000 8.155 13.080 1.00 0.00 H new ATOM 189 N ASP A 15 -1.031 3.675 11.975 1.00 0.00 N ATOM 190 CA ASP A 15 -2.328 3.235 11.473 1.00 0.00 C ATOM 191 C ASP A 15 -3.029 4.360 10.718 1.00 0.00 C ATOM 192 O ASP A 15 -2.857 5.537 11.038 1.00 0.00 O ATOM 193 CB ASP A 15 -3.208 2.751 12.626 1.00 0.00 C ATOM 194 CG ASP A 15 -3.270 3.750 13.765 1.00 0.00 C ATOM 195 OD1 ASP A 15 -3.325 4.966 13.485 1.00 0.00 O ATOM 196 OD2 ASP A 15 -3.262 3.316 14.936 1.00 0.00 O ATOM 0 H ASP A 15 -0.947 3.666 12.992 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.161 2.408 10.783 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.216 2.563 12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.823 1.802 12.999 1.00 0.00 H new ATOM 201 N TYR A 16 -3.817 3.991 9.715 1.00 0.00 N ATOM 202 CA TYR A 16 -4.541 4.970 8.912 1.00 0.00 C ATOM 203 C TYR A 16 -5.852 4.386 8.393 1.00 0.00 C ATOM 204 O TYR A 16 -5.925 3.206 8.050 1.00 0.00 O ATOM 205 CB TYR A 16 -3.678 5.437 7.739 1.00 0.00 C ATOM 206 CG TYR A 16 -4.464 6.123 6.644 1.00 0.00 C ATOM 207 CD1 TYR A 16 -5.039 5.391 5.612 1.00 0.00 C ATOM 208 CD2 TYR A 16 -4.632 7.502 6.642 1.00 0.00 C ATOM 209 CE1 TYR A 16 -5.757 6.013 4.609 1.00 0.00 C ATOM 210 CE2 TYR A 16 -5.350 8.132 5.644 1.00 0.00 C ATOM 211 CZ TYR A 16 -5.911 7.384 4.630 1.00 0.00 C ATOM 212 OH TYR A 16 -6.626 8.008 3.634 1.00 0.00 O ATOM 0 H TYR A 16 -3.971 3.021 9.438 1.00 0.00 H new ATOM 0 HA TYR A 16 -4.771 5.825 9.548 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.915 6.121 8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.157 4.577 7.317 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.923 4.317 5.594 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.194 8.091 7.434 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.195 5.429 3.813 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.471 9.205 5.658 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.640 8.974 3.798 1.00 0.00 H new ATOM 222 N GLN A 17 -6.884 5.222 8.339 1.00 0.00 N ATOM 223 CA GLN A 17 -8.192 4.789 7.862 1.00 0.00 C ATOM 224 C GLN A 17 -8.585 5.542 6.595 1.00 0.00 C ATOM 225 O GLN A 17 -8.777 6.757 6.617 1.00 0.00 O ATOM 226 CB GLN A 17 -9.250 5.004 8.946 1.00 0.00 C ATOM 227 CG GLN A 17 -10.656 4.628 8.507 1.00 0.00 C ATOM 228 CD GLN A 17 -11.693 4.891 9.581 1.00 0.00 C ATOM 229 OE1 GLN A 17 -11.753 5.983 10.147 1.00 0.00 O ATOM 230 NE2 GLN A 17 -12.516 3.890 9.867 1.00 0.00 N ATOM 0 H GLN A 17 -6.840 6.202 8.619 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.133 3.726 7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.983 4.416 9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.241 6.051 9.249 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.916 5.192 7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.678 3.572 8.237 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.430 3.002 9.373 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.235 4.009 10.581 1.00 0.00 H new ATOM 239 N ALA A 18 -8.703 4.811 5.491 1.00 0.00 N ATOM 240 CA ALA A 18 -9.075 5.409 4.215 1.00 0.00 C ATOM 241 C ALA A 18 -10.406 6.146 4.321 1.00 0.00 C ATOM 242 O ALA A 18 -11.466 5.524 4.402 1.00 0.00 O ATOM 243 CB ALA A 18 -9.146 4.341 3.133 1.00 0.00 C ATOM 0 H ALA A 18 -8.546 3.804 5.455 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.308 6.135 3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.425 4.801 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.173 3.861 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.891 3.594 3.407 1.00 0.00 H new ATOM 249 N ARG A 19 -10.343 7.473 4.321 1.00 0.00 N ATOM 250 CA ARG A 19 -11.544 8.295 4.419 1.00 0.00 C ATOM 251 C ARG A 19 -12.474 8.042 3.236 1.00 0.00 C ATOM 252 O ARG A 19 -13.696 8.035 3.383 1.00 0.00 O ATOM 253 CB ARG A 19 -11.170 9.777 4.481 1.00 0.00 C ATOM 254 CG ARG A 19 -10.603 10.207 5.824 1.00 0.00 C ATOM 255 CD ARG A 19 -11.708 10.587 6.798 1.00 0.00 C ATOM 256 NE ARG A 19 -11.200 11.369 7.923 1.00 0.00 N ATOM 257 CZ ARG A 19 -11.939 11.712 8.972 1.00 0.00 C ATOM 258 NH1 ARG A 19 -13.211 11.345 9.039 1.00 0.00 N ATOM 259 NH2 ARG A 19 -11.406 12.424 9.956 1.00 0.00 N ATOM 0 H ARG A 19 -9.474 8.002 4.254 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.068 8.021 5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -10.438 9.991 3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.054 10.376 4.261 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.008 9.397 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.933 11.055 5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.472 11.160 6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.188 9.683 7.172 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.225 11.668 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.624 10.798 8.284 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.776 11.610 9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.428 12.709 9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.974 12.687 10.761 1.00 0.00 H new ATOM 273 N THR A 20 -11.886 7.836 2.062 1.00 0.00 N ATOM 274 CA THR A 20 -12.661 7.585 0.853 1.00 0.00 C ATOM 275 C THR A 20 -12.369 6.199 0.291 1.00 0.00 C ATOM 276 O THR A 20 -11.298 5.639 0.520 1.00 0.00 O ATOM 277 CB THR A 20 -12.367 8.639 -0.232 1.00 0.00 C ATOM 278 OG1 THR A 20 -11.049 8.448 -0.756 1.00 0.00 O ATOM 279 CG2 THR A 20 -12.495 10.046 0.332 1.00 0.00 C ATOM 0 H THR A 20 -10.876 7.838 1.923 1.00 0.00 H new ATOM 0 HA THR A 20 -13.713 7.646 1.133 1.00 0.00 H new ATOM 0 HB THR A 20 -13.097 8.518 -1.033 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.871 9.121 -1.446 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.283 10.773 -0.452 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.508 10.198 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.786 10.176 1.149 1.00 0.00 H new ATOM 287 N ALA A 21 -13.329 5.650 -0.447 1.00 0.00 N ATOM 288 CA ALA A 21 -13.173 4.330 -1.045 1.00 0.00 C ATOM 289 C ALA A 21 -11.967 4.288 -1.976 1.00 0.00 C ATOM 290 O ALA A 21 -11.183 3.340 -1.947 1.00 0.00 O ATOM 291 CB ALA A 21 -14.437 3.939 -1.797 1.00 0.00 C ATOM 0 H ALA A 21 -14.223 6.099 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.004 3.612 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.307 2.951 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.280 3.919 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.631 4.666 -2.585 1.00 0.00 H new ATOM 297 N GLU A 22 -11.825 5.321 -2.800 1.00 0.00 N ATOM 298 CA GLU A 22 -10.713 5.399 -3.741 1.00 0.00 C ATOM 299 C GLU A 22 -9.388 5.109 -3.043 1.00 0.00 C ATOM 300 O GLU A 22 -8.472 4.539 -3.637 1.00 0.00 O ATOM 301 CB GLU A 22 -10.666 6.782 -4.394 1.00 0.00 C ATOM 302 CG GLU A 22 -11.562 6.910 -5.615 1.00 0.00 C ATOM 303 CD GLU A 22 -13.010 6.574 -5.312 1.00 0.00 C ATOM 304 OE1 GLU A 22 -13.553 7.124 -4.331 1.00 0.00 O ATOM 305 OE2 GLU A 22 -13.599 5.763 -6.056 1.00 0.00 O ATOM 0 H GLU A 22 -12.465 6.115 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.869 4.645 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.959 7.532 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.639 7.003 -4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.502 7.928 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.196 6.249 -6.401 1.00 0.00 H new ATOM 312 N ASP A 23 -9.293 5.505 -1.778 1.00 0.00 N ATOM 313 CA ASP A 23 -8.081 5.287 -0.998 1.00 0.00 C ATOM 314 C ASP A 23 -8.132 3.944 -0.277 1.00 0.00 C ATOM 315 O ASP A 23 -9.191 3.323 -0.173 1.00 0.00 O ATOM 316 CB ASP A 23 -7.891 6.417 0.016 1.00 0.00 C ATOM 317 CG ASP A 23 -7.258 7.648 -0.602 1.00 0.00 C ATOM 318 OD1 ASP A 23 -8.002 8.482 -1.160 1.00 0.00 O ATOM 319 OD2 ASP A 23 -6.018 7.778 -0.526 1.00 0.00 O ATOM 0 H ASP A 23 -10.041 5.979 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.234 5.278 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.858 6.684 0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.267 6.064 0.837 1.00 0.00 H new ATOM 324 N LEU A 24 -6.983 3.500 0.219 1.00 0.00 N ATOM 325 CA LEU A 24 -6.896 2.229 0.930 1.00 0.00 C ATOM 326 C LEU A 24 -6.578 2.450 2.405 1.00 0.00 C ATOM 327 O LEU A 24 -5.953 3.445 2.773 1.00 0.00 O ATOM 328 CB LEU A 24 -5.827 1.338 0.294 1.00 0.00 C ATOM 329 CG LEU A 24 -5.722 -0.084 0.848 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.659 -1.019 0.099 1.00 0.00 C ATOM 331 CD2 LEU A 24 -4.287 -0.584 0.764 1.00 0.00 C ATOM 0 H LEU A 24 -6.098 4.001 0.142 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.864 1.734 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.024 1.276 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.859 1.825 0.412 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.020 -0.068 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.571 -2.026 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.686 -0.671 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.393 -1.031 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.231 -1.597 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.962 -0.585 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.639 0.071 1.346 1.00 0.00 H new ATOM 343 N SER A 25 -7.010 1.516 3.246 1.00 0.00 N ATOM 344 CA SER A 25 -6.772 1.610 4.681 1.00 0.00 C ATOM 345 C SER A 25 -5.774 0.550 5.137 1.00 0.00 C ATOM 346 O SER A 25 -5.647 -0.507 4.519 1.00 0.00 O ATOM 347 CB SER A 25 -8.087 1.452 5.448 1.00 0.00 C ATOM 348 OG SER A 25 -8.454 0.087 5.555 1.00 0.00 O ATOM 0 H SER A 25 -7.527 0.685 2.958 1.00 0.00 H new ATOM 0 HA SER A 25 -6.352 2.594 4.891 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.985 1.884 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.877 2.005 4.940 1.00 0.00 H new ATOM 0 HG SER A 25 -9.296 0.013 6.050 1.00 0.00 H new ATOM 354 N PHE A 26 -5.067 0.841 6.224 1.00 0.00 N ATOM 355 CA PHE A 26 -4.078 -0.085 6.764 1.00 0.00 C ATOM 356 C PHE A 26 -3.815 0.200 8.240 1.00 0.00 C ATOM 357 O PHE A 26 -4.305 1.186 8.789 1.00 0.00 O ATOM 358 CB PHE A 26 -2.772 0.011 5.973 1.00 0.00 C ATOM 359 CG PHE A 26 -2.280 1.420 5.797 1.00 0.00 C ATOM 360 CD1 PHE A 26 -2.737 2.202 4.749 1.00 0.00 C ATOM 361 CD2 PHE A 26 -1.361 1.961 6.681 1.00 0.00 C ATOM 362 CE1 PHE A 26 -2.287 3.498 4.585 1.00 0.00 C ATOM 363 CE2 PHE A 26 -0.907 3.257 6.522 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.370 4.026 5.472 1.00 0.00 C ATOM 0 H PHE A 26 -5.161 1.711 6.748 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.476 -1.096 6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.005 -0.572 6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.917 -0.440 4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.454 1.794 4.052 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.995 1.364 7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.652 4.097 3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.191 3.668 7.218 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.015 5.038 5.345 1.00 0.00 H new ATOM 374 N ARG A 27 -3.037 -0.671 8.875 1.00 0.00 N ATOM 375 CA ARG A 27 -2.709 -0.515 10.286 1.00 0.00 C ATOM 376 C ARG A 27 -1.217 -0.253 10.472 1.00 0.00 C ATOM 377 O ARG A 27 -0.437 -0.350 9.525 1.00 0.00 O ATOM 378 CB ARG A 27 -3.120 -1.763 11.069 1.00 0.00 C ATOM 379 CG ARG A 27 -4.624 -1.973 11.135 1.00 0.00 C ATOM 380 CD ARG A 27 -5.025 -2.743 12.383 1.00 0.00 C ATOM 381 NE ARG A 27 -6.310 -3.418 12.220 1.00 0.00 N ATOM 382 CZ ARG A 27 -6.472 -4.530 11.511 1.00 0.00 C ATOM 383 NH1 ARG A 27 -5.435 -5.089 10.903 1.00 0.00 N ATOM 384 NH2 ARG A 27 -7.673 -5.085 11.410 1.00 0.00 N ATOM 0 H ARG A 27 -2.622 -1.492 8.434 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.262 0.343 10.668 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.659 -2.638 10.610 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.727 -1.691 12.083 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.128 -1.007 11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.956 -2.515 10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.256 -3.479 12.618 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.080 -2.058 13.229 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.128 -3.013 12.676 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.510 -4.665 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.562 -5.943 10.359 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.473 -4.658 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.796 -5.939 10.865 1.00 0.00 H new ATOM 398 N ALA A 28 -0.829 0.079 11.699 1.00 0.00 N ATOM 399 CA ALA A 28 0.569 0.353 12.009 1.00 0.00 C ATOM 400 C ALA A 28 1.385 -0.935 12.051 1.00 0.00 C ATOM 401 O ALA A 28 1.294 -1.707 13.004 1.00 0.00 O ATOM 402 CB ALA A 28 0.680 1.094 13.334 1.00 0.00 C ATOM 0 H ALA A 28 -1.462 0.165 12.494 1.00 0.00 H new ATOM 0 HA ALA A 28 0.974 0.983 11.217 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.729 1.292 13.553 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.138 2.038 13.270 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.252 0.484 14.129 1.00 0.00 H new ATOM 408 N GLY A 29 2.181 -1.160 11.011 1.00 0.00 N ATOM 409 CA GLY A 29 3.000 -2.356 10.949 1.00 0.00 C ATOM 410 C GLY A 29 2.472 -3.370 9.953 1.00 0.00 C ATOM 411 O GLY A 29 2.632 -4.576 10.140 1.00 0.00 O ATOM 0 H GLY A 29 2.273 -0.535 10.210 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.019 -2.081 10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.046 -2.813 11.938 1.00 0.00 H new ATOM 415 N ASP A 30 1.840 -2.880 8.892 1.00 0.00 N ATOM 416 CA ASP A 30 1.285 -3.752 7.863 1.00 0.00 C ATOM 417 C ASP A 30 2.230 -3.852 6.669 1.00 0.00 C ATOM 418 O ASP A 30 3.157 -3.054 6.528 1.00 0.00 O ATOM 419 CB ASP A 30 -0.080 -3.234 7.407 1.00 0.00 C ATOM 420 CG ASP A 30 0.027 -2.258 6.252 1.00 0.00 C ATOM 421 OD1 ASP A 30 1.057 -1.557 6.160 1.00 0.00 O ATOM 422 OD2 ASP A 30 -0.919 -2.196 5.439 1.00 0.00 O ATOM 0 H ASP A 30 1.699 -1.884 8.722 1.00 0.00 H new ATOM 0 HA ASP A 30 1.162 -4.747 8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.704 -4.077 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.579 -2.747 8.245 1.00 0.00 H new ATOM 427 N LYS A 31 1.988 -4.837 5.811 1.00 0.00 N ATOM 428 CA LYS A 31 2.816 -5.043 4.628 1.00 0.00 C ATOM 429 C LYS A 31 2.069 -4.632 3.363 1.00 0.00 C ATOM 430 O LYS A 31 1.101 -5.281 2.964 1.00 0.00 O ATOM 431 CB LYS A 31 3.244 -6.509 4.528 1.00 0.00 C ATOM 432 CG LYS A 31 3.920 -7.032 5.783 1.00 0.00 C ATOM 433 CD LYS A 31 5.393 -6.660 5.819 1.00 0.00 C ATOM 434 CE LYS A 31 6.052 -7.117 7.111 1.00 0.00 C ATOM 435 NZ LYS A 31 5.888 -6.116 8.202 1.00 0.00 N ATOM 0 H LYS A 31 1.225 -5.506 5.913 1.00 0.00 H new ATOM 0 HA LYS A 31 3.704 -4.418 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.367 -7.121 4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.925 -6.623 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.420 -6.627 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.816 -8.116 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.904 -7.112 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.499 -5.580 5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.620 -8.068 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.113 -7.292 6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.351 -6.465 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.323 -5.216 7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.876 -5.968 8.388 1.00 0.00 H new ATOM 449 N LEU A 32 2.524 -3.553 2.737 1.00 0.00 N ATOM 450 CA LEU A 32 1.900 -3.057 1.515 1.00 0.00 C ATOM 451 C LEU A 32 2.936 -2.868 0.412 1.00 0.00 C ATOM 452 O LEU A 32 4.034 -2.369 0.658 1.00 0.00 O ATOM 453 CB LEU A 32 1.181 -1.735 1.787 1.00 0.00 C ATOM 454 CG LEU A 32 0.206 -1.730 2.966 1.00 0.00 C ATOM 455 CD1 LEU A 32 -0.130 -0.305 3.375 1.00 0.00 C ATOM 456 CD2 LEU A 32 -1.059 -2.499 2.613 1.00 0.00 C ATOM 0 H LEU A 32 3.323 -3.004 3.055 1.00 0.00 H new ATOM 0 HA LEU A 32 1.173 -3.797 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.933 -0.965 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.634 -1.450 0.888 1.00 0.00 H new ATOM 0 HG LEU A 32 0.684 -2.224 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.825 -0.322 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.782 0.214 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.589 0.216 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.742 -2.486 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.540 -2.033 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.802 -3.530 2.370 1.00 0.00 H new ATOM 468 N GLN A 33 2.578 -3.269 -0.804 1.00 0.00 N ATOM 469 CA GLN A 33 3.477 -3.142 -1.945 1.00 0.00 C ATOM 470 C GLN A 33 3.090 -1.948 -2.812 1.00 0.00 C ATOM 471 O GLN A 33 1.982 -1.888 -3.345 1.00 0.00 O ATOM 472 CB GLN A 33 3.458 -4.422 -2.781 1.00 0.00 C ATOM 473 CG GLN A 33 4.107 -4.267 -4.147 1.00 0.00 C ATOM 474 CD GLN A 33 3.752 -5.397 -5.094 1.00 0.00 C ATOM 475 OE1 GLN A 33 2.525 -5.380 -5.602 1.00 0.00 O flip ATOM 476 NE2 GLN A 33 4.571 -6.275 -5.365 1.00 0.00 N flip ATOM 0 H GLN A 33 1.673 -3.684 -1.024 1.00 0.00 H new ATOM 0 HA GLN A 33 4.486 -2.980 -1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.971 -5.212 -2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.425 -4.744 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.797 -3.319 -4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.190 -4.225 -4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.503 -6.248 -4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.318 -7.029 -6.003 1.00 0.00 H new ATOM 485 N VAL A 34 4.011 -1.000 -2.950 1.00 0.00 N ATOM 486 CA VAL A 34 3.767 0.192 -3.753 1.00 0.00 C ATOM 487 C VAL A 34 3.816 -0.129 -5.243 1.00 0.00 C ATOM 488 O VAL A 34 4.842 -0.572 -5.760 1.00 0.00 O ATOM 489 CB VAL A 34 4.794 1.298 -3.444 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.515 2.536 -4.282 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.784 1.634 -1.961 1.00 0.00 C ATOM 0 H VAL A 34 4.933 -1.034 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 34 2.770 0.549 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 34 5.787 0.930 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.251 3.306 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.578 2.281 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.516 2.909 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.515 2.417 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.792 1.982 -1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.038 0.744 -1.385 1.00 0.00 H new ATOM 501 N LEU A 35 2.700 0.096 -5.928 1.00 0.00 N ATOM 502 CA LEU A 35 2.614 -0.169 -7.359 1.00 0.00 C ATOM 503 C LEU A 35 2.839 1.107 -8.164 1.00 0.00 C ATOM 504 O LEU A 35 3.722 1.166 -9.019 1.00 0.00 O ATOM 505 CB LEU A 35 1.252 -0.772 -7.706 1.00 0.00 C ATOM 506 CG LEU A 35 0.764 -1.897 -6.793 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.756 -1.915 -6.734 1.00 0.00 C ATOM 508 CD2 LEU A 35 1.296 -3.240 -7.272 1.00 0.00 C ATOM 0 H LEU A 35 1.842 0.462 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 35 3.396 -0.882 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.510 0.026 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.295 -1.152 -8.727 1.00 0.00 H new ATOM 0 HG LEU A 35 1.144 -1.715 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.085 -2.722 -6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.116 -0.963 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.157 -2.073 -7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.939 -4.030 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.945 -3.430 -8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.386 -3.224 -7.263 1.00 0.00 H new ATOM 520 N ASP A 36 2.034 2.126 -7.882 1.00 0.00 N ATOM 521 CA ASP A 36 2.147 3.403 -8.577 1.00 0.00 C ATOM 522 C ASP A 36 2.759 4.465 -7.669 1.00 0.00 C ATOM 523 O ASP A 36 2.342 4.632 -6.522 1.00 0.00 O ATOM 524 CB ASP A 36 0.773 3.865 -9.067 1.00 0.00 C ATOM 525 CG ASP A 36 0.865 4.783 -10.270 1.00 0.00 C ATOM 526 OD1 ASP A 36 1.113 5.991 -10.076 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.689 4.293 -11.405 1.00 0.00 O ATOM 0 H ASP A 36 1.297 2.092 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 36 2.803 3.263 -9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.170 2.994 -9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.257 4.382 -8.258 1.00 0.00 H new ATOM 532 N THR A 37 3.753 5.180 -8.188 1.00 0.00 N ATOM 533 CA THR A 37 4.424 6.223 -7.423 1.00 0.00 C ATOM 534 C THR A 37 4.459 7.536 -8.197 1.00 0.00 C ATOM 535 O THR A 37 5.375 8.341 -8.032 1.00 0.00 O ATOM 536 CB THR A 37 5.865 5.815 -7.062 1.00 0.00 C ATOM 537 OG1 THR A 37 6.578 5.437 -8.245 1.00 0.00 O ATOM 538 CG2 THR A 37 5.869 4.661 -6.071 1.00 0.00 C ATOM 0 H THR A 37 4.111 5.055 -9.135 1.00 0.00 H new ATOM 0 HA THR A 37 3.852 6.360 -6.505 1.00 0.00 H new ATOM 0 HB THR A 37 6.356 6.671 -6.600 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.494 5.181 -8.007 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.897 4.391 -5.831 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.351 4.962 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.361 3.802 -6.510 1.00 0.00 H new ATOM 546 N SER A 38 3.454 7.746 -9.041 1.00 0.00 N ATOM 547 CA SER A 38 3.371 8.961 -9.843 1.00 0.00 C ATOM 548 C SER A 38 2.904 10.141 -8.996 1.00 0.00 C ATOM 549 O SER A 38 3.693 11.017 -8.642 1.00 0.00 O ATOM 550 CB SER A 38 2.417 8.756 -11.022 1.00 0.00 C ATOM 551 OG SER A 38 2.011 9.997 -11.571 1.00 0.00 O ATOM 0 H SER A 38 2.686 7.091 -9.187 1.00 0.00 H new ATOM 0 HA SER A 38 4.367 9.182 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.907 8.158 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.541 8.197 -10.692 1.00 0.00 H new ATOM 0 HG SER A 38 1.404 9.839 -12.324 1.00 0.00 H new ATOM 557 N HIS A 39 1.614 10.155 -8.673 1.00 0.00 N ATOM 558 CA HIS A 39 1.040 11.226 -7.866 1.00 0.00 C ATOM 559 C HIS A 39 1.835 11.423 -6.579 1.00 0.00 C ATOM 560 O HIS A 39 1.667 10.677 -5.615 1.00 0.00 O ATOM 561 CB HIS A 39 -0.420 10.917 -7.535 1.00 0.00 C ATOM 562 CG HIS A 39 -1.142 12.058 -6.886 1.00 0.00 C ATOM 563 ND1 HIS A 39 -2.164 12.749 -7.501 1.00 0.00 N ATOM 564 CD2 HIS A 39 -0.984 12.627 -5.668 1.00 0.00 C ATOM 565 CE1 HIS A 39 -2.604 13.695 -6.690 1.00 0.00 C ATOM 566 NE2 HIS A 39 -1.904 13.642 -5.570 1.00 0.00 N ATOM 0 H HIS A 39 0.947 9.437 -8.958 1.00 0.00 H new ATOM 0 HA HIS A 39 1.086 12.148 -8.445 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.941 10.642 -8.452 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.459 10.051 -6.875 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.268 12.337 -4.914 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.400 14.393 -6.906 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.027 14.255 -4.764 1.00 0.00 H new ATOM 575 N GLU A 40 2.702 12.431 -6.573 1.00 0.00 N ATOM 576 CA GLU A 40 3.523 12.724 -5.404 1.00 0.00 C ATOM 577 C GLU A 40 2.663 12.837 -4.149 1.00 0.00 C ATOM 578 O GLU A 40 1.883 13.777 -4.001 1.00 0.00 O ATOM 579 CB GLU A 40 4.309 14.020 -5.617 1.00 0.00 C ATOM 580 CG GLU A 40 5.441 14.215 -4.622 1.00 0.00 C ATOM 581 CD GLU A 40 6.453 13.087 -4.661 1.00 0.00 C ATOM 582 OE1 GLU A 40 6.513 12.379 -5.688 1.00 0.00 O ATOM 583 OE2 GLU A 40 7.185 12.913 -3.665 1.00 0.00 O ATOM 0 H GLU A 40 2.854 13.058 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 40 4.224 11.901 -5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.719 14.025 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.625 14.866 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.946 15.158 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.027 14.292 -3.617 1.00 0.00 H new ATOM 590 N GLY A 41 2.813 11.872 -3.247 1.00 0.00 N ATOM 591 CA GLY A 41 2.044 11.881 -2.016 1.00 0.00 C ATOM 592 C GLY A 41 1.229 10.616 -1.832 1.00 0.00 C ATOM 593 O GLY A 41 1.516 9.808 -0.948 1.00 0.00 O ATOM 0 H GLY A 41 3.453 11.084 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.720 12.000 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.377 12.743 -2.014 1.00 0.00 H new ATOM 597 N TRP A 42 0.211 10.444 -2.667 1.00 0.00 N ATOM 598 CA TRP A 42 -0.649 9.268 -2.590 1.00 0.00 C ATOM 599 C TRP A 42 -0.186 8.191 -3.565 1.00 0.00 C ATOM 600 O TRP A 42 -0.259 8.369 -4.781 1.00 0.00 O ATOM 601 CB TRP A 42 -2.100 9.652 -2.886 1.00 0.00 C ATOM 602 CG TRP A 42 -2.637 10.701 -1.961 1.00 0.00 C ATOM 603 CD1 TRP A 42 -2.519 12.055 -2.100 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.376 10.483 -0.754 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.139 12.691 -1.052 1.00 0.00 N ATOM 606 CE2 TRP A 42 -3.673 11.749 -0.213 1.00 0.00 C ATOM 607 CE3 TRP A 42 -3.816 9.341 -0.079 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -4.390 11.902 0.971 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.527 9.495 1.096 1.00 0.00 C ATOM 610 CH2 TRP A 42 -4.808 10.768 1.611 1.00 0.00 C ATOM 0 H TRP A 42 -0.039 11.103 -3.404 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.586 8.867 -1.578 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.171 10.012 -3.912 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.725 8.762 -2.817 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.013 12.552 -2.914 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.193 13.701 -0.920 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.604 8.356 -0.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.608 12.882 1.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.872 8.620 1.626 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.366 10.855 2.532 1.00 0.00 H new ATOM 621 N TRP A 43 0.289 7.075 -3.025 1.00 0.00 N ATOM 622 CA TRP A 43 0.764 5.969 -3.849 1.00 0.00 C ATOM 623 C TRP A 43 -0.264 4.844 -3.894 1.00 0.00 C ATOM 624 O TRP A 43 -1.027 4.648 -2.947 1.00 0.00 O ATOM 625 CB TRP A 43 2.094 5.439 -3.310 1.00 0.00 C ATOM 626 CG TRP A 43 3.195 6.455 -3.345 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.240 7.589 -4.104 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.411 6.427 -2.590 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.411 8.268 -3.866 1.00 0.00 N ATOM 630 CE2 TRP A 43 5.146 7.577 -2.940 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.949 5.544 -1.650 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.390 7.863 -2.384 1.00 0.00 C ATOM 633 CZ3 TRP A 43 6.184 5.830 -1.099 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.893 6.981 -1.466 1.00 0.00 C ATOM 0 H TRP A 43 0.356 6.912 -2.020 1.00 0.00 H new ATOM 0 HA TRP A 43 0.913 6.341 -4.863 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.953 5.101 -2.283 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.394 4.569 -3.894 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.469 7.906 -4.790 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.688 9.145 -4.308 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.410 4.655 -1.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.939 8.749 -2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.610 5.154 -0.372 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.855 7.176 -1.016 1.00 0.00 H new ATOM 645 N LEU A 44 -0.280 4.107 -4.999 1.00 0.00 N ATOM 646 CA LEU A 44 -1.215 3.000 -5.168 1.00 0.00 C ATOM 647 C LEU A 44 -0.569 1.676 -4.771 1.00 0.00 C ATOM 648 O LEU A 44 0.171 1.077 -5.550 1.00 0.00 O ATOM 649 CB LEU A 44 -1.698 2.931 -6.618 1.00 0.00 C ATOM 650 CG LEU A 44 -2.622 1.762 -6.962 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.976 1.937 -6.291 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.784 1.637 -8.470 1.00 0.00 C ATOM 0 H LEU A 44 0.344 4.256 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.070 3.176 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.218 3.860 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.825 2.882 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.170 0.843 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.620 1.096 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.844 1.977 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.435 2.864 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.445 0.800 -8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.214 2.557 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.810 1.465 -8.928 1.00 0.00 H new ATOM 664 N ALA A 45 -0.857 1.225 -3.555 1.00 0.00 N ATOM 665 CA ALA A 45 -0.308 -0.030 -3.056 1.00 0.00 C ATOM 666 C ALA A 45 -1.410 -1.058 -2.824 1.00 0.00 C ATOM 667 O ALA A 45 -2.583 -0.706 -2.699 1.00 0.00 O ATOM 668 CB ALA A 45 0.473 0.209 -1.772 1.00 0.00 C ATOM 0 H ALA A 45 -1.467 1.710 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 45 0.370 -0.427 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.877 -0.737 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.291 0.902 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.189 0.633 -1.017 1.00 0.00 H new ATOM 674 N ARG A 46 -1.026 -2.329 -2.767 1.00 0.00 N ATOM 675 CA ARG A 46 -1.982 -3.408 -2.552 1.00 0.00 C ATOM 676 C ARG A 46 -1.620 -4.216 -1.309 1.00 0.00 C ATOM 677 O ARG A 46 -0.457 -4.268 -0.907 1.00 0.00 O ATOM 678 CB ARG A 46 -2.032 -4.326 -3.774 1.00 0.00 C ATOM 679 CG ARG A 46 -0.885 -5.322 -3.834 1.00 0.00 C ATOM 680 CD ARG A 46 -0.918 -6.133 -5.120 1.00 0.00 C ATOM 681 NE ARG A 46 -0.276 -7.435 -4.963 1.00 0.00 N ATOM 682 CZ ARG A 46 -0.842 -8.463 -4.341 1.00 0.00 C ATOM 683 NH1 ARG A 46 -2.055 -8.342 -3.821 1.00 0.00 N ATOM 684 NH2 ARG A 46 -0.193 -9.617 -4.238 1.00 0.00 N ATOM 0 H ARG A 46 -0.059 -2.637 -2.867 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.965 -2.963 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.976 -4.871 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.020 -3.716 -4.677 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.064 -4.791 -3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.940 -5.994 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.953 -6.274 -5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.419 -5.576 -5.913 1.00 0.00 H new ATOM 0 HE ARG A 46 0.658 -7.562 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.557 -7.457 -3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.487 -9.134 -3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.741 -9.714 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.628 -10.406 -3.760 1.00 0.00 H new ATOM 698 N HIS A 47 -2.623 -4.844 -0.705 1.00 0.00 N ATOM 699 CA HIS A 47 -2.410 -5.650 0.492 1.00 0.00 C ATOM 700 C HIS A 47 -1.709 -6.961 0.147 1.00 0.00 C ATOM 701 O HIS A 47 -2.144 -7.694 -0.742 1.00 0.00 O ATOM 702 CB HIS A 47 -3.743 -5.937 1.183 1.00 0.00 C ATOM 703 CG HIS A 47 -4.123 -4.908 2.203 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.566 -4.855 3.463 1.00 0.00 N ATOM 705 CD2 HIS A 47 -5.010 -3.888 2.142 1.00 0.00 C ATOM 706 CE1 HIS A 47 -4.095 -3.848 4.134 1.00 0.00 C ATOM 707 NE2 HIS A 47 -4.974 -3.244 3.355 1.00 0.00 N ATOM 0 H HIS A 47 -3.591 -4.811 -1.024 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.772 -5.085 1.171 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.528 -5.997 0.429 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.690 -6.913 1.666 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.631 -3.628 1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.850 -3.566 5.148 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.535 -2.432 3.612 1.00 0.00 H new ATOM 716 N LEU A 48 -0.623 -7.249 0.855 1.00 0.00 N ATOM 717 CA LEU A 48 0.139 -8.471 0.624 1.00 0.00 C ATOM 718 C LEU A 48 -0.403 -9.619 1.469 1.00 0.00 C ATOM 719 O LEU A 48 -0.475 -10.759 1.011 1.00 0.00 O ATOM 720 CB LEU A 48 1.618 -8.242 0.943 1.00 0.00 C ATOM 721 CG LEU A 48 2.347 -7.232 0.056 1.00 0.00 C ATOM 722 CD1 LEU A 48 3.768 -7.014 0.552 1.00 0.00 C ATOM 723 CD2 LEU A 48 2.351 -7.699 -1.392 1.00 0.00 C ATOM 0 H LEU A 48 -0.250 -6.653 1.594 1.00 0.00 H new ATOM 0 HA LEU A 48 0.038 -8.739 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.699 -7.911 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.137 -9.198 0.873 1.00 0.00 H new ATOM 0 HG LEU A 48 1.816 -6.281 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.271 -6.292 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.743 -6.634 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.310 -7.959 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.874 -6.968 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.857 -8.662 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.325 -7.802 -1.744 1.00 0.00 H new ATOM 735 N GLU A 49 -0.785 -9.309 2.704 1.00 0.00 N ATOM 736 CA GLU A 49 -1.322 -10.316 3.612 1.00 0.00 C ATOM 737 C GLU A 49 -2.629 -10.891 3.075 1.00 0.00 C ATOM 738 O GLU A 49 -3.716 -10.446 3.447 1.00 0.00 O ATOM 739 CB GLU A 49 -1.549 -9.713 5.000 1.00 0.00 C ATOM 740 CG GLU A 49 -0.274 -9.559 5.813 1.00 0.00 C ATOM 741 CD GLU A 49 -0.357 -8.429 6.820 1.00 0.00 C ATOM 742 OE1 GLU A 49 -1.108 -7.464 6.569 1.00 0.00 O ATOM 743 OE2 GLU A 49 0.330 -8.510 7.860 1.00 0.00 O ATOM 0 H GLU A 49 -0.733 -8.370 3.098 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.595 -11.124 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.020 -8.736 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.247 -10.343 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.066 -10.492 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.563 -9.379 5.138 1.00 0.00 H new ATOM 750 N LYS A 50 -2.517 -11.882 2.198 1.00 0.00 N ATOM 751 CA LYS A 50 -3.688 -12.520 1.609 1.00 0.00 C ATOM 752 C LYS A 50 -3.649 -14.030 1.820 1.00 0.00 C ATOM 753 O LYS A 50 -2.689 -14.697 1.434 1.00 0.00 O ATOM 754 CB LYS A 50 -3.767 -12.206 0.113 1.00 0.00 C ATOM 755 CG LYS A 50 -5.136 -12.466 -0.491 1.00 0.00 C ATOM 756 CD LYS A 50 -5.281 -13.909 -0.945 1.00 0.00 C ATOM 757 CE LYS A 50 -6.730 -14.255 -1.250 1.00 0.00 C ATOM 758 NZ LYS A 50 -6.842 -15.461 -2.116 1.00 0.00 N ATOM 0 H LYS A 50 -1.626 -12.261 1.879 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.574 -12.124 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.502 -11.161 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.026 -12.806 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.908 -12.235 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.293 -11.799 -1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.672 -14.075 -1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.902 -14.575 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.266 -14.427 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.210 -13.409 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.845 -15.664 -2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.352 -15.288 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.407 -16.275 -1.636 1.00 0.00 H new ATOM 772 N LYS A 51 -4.700 -14.564 2.434 1.00 0.00 N ATOM 773 CA LYS A 51 -4.788 -15.996 2.695 1.00 0.00 C ATOM 774 C LYS A 51 -6.023 -16.595 2.029 1.00 0.00 C ATOM 775 O LYS A 51 -6.843 -15.877 1.459 1.00 0.00 O ATOM 776 CB LYS A 51 -4.829 -16.259 4.202 1.00 0.00 C ATOM 777 CG LYS A 51 -4.322 -17.637 4.592 1.00 0.00 C ATOM 778 CD LYS A 51 -3.734 -17.638 5.993 1.00 0.00 C ATOM 779 CE LYS A 51 -2.654 -18.698 6.144 1.00 0.00 C ATOM 780 NZ LYS A 51 -1.903 -18.548 7.421 1.00 0.00 N ATOM 0 H LYS A 51 -5.503 -14.026 2.760 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.903 -16.472 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.231 -15.503 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.854 -16.145 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.140 -18.355 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.565 -17.963 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.315 -16.656 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.525 -17.817 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.109 -19.688 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.961 -18.632 5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.176 -19.289 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.448 -17.613 7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.560 -18.636 8.222 1.00 0.00 H new ATOM 794 N GLY A 52 -6.150 -17.916 2.107 1.00 0.00 N ATOM 795 CA GLY A 52 -7.288 -18.589 1.509 1.00 0.00 C ATOM 796 C GLY A 52 -8.608 -17.950 1.896 1.00 0.00 C ATOM 797 O GLY A 52 -9.045 -18.054 3.042 1.00 0.00 O ATOM 0 H GLY A 52 -5.485 -18.532 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.185 -18.575 0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.290 -19.635 1.816 1.00 0.00 H new ATOM 801 N THR A 53 -9.244 -17.285 0.937 1.00 0.00 N ATOM 802 CA THR A 53 -10.520 -16.624 1.184 1.00 0.00 C ATOM 803 C THR A 53 -11.307 -16.448 -0.110 1.00 0.00 C ATOM 804 O THR A 53 -10.731 -16.393 -1.196 1.00 0.00 O ATOM 805 CB THR A 53 -10.321 -15.245 1.841 1.00 0.00 C ATOM 806 OG1 THR A 53 -9.975 -15.405 3.221 1.00 0.00 O ATOM 807 CG2 THR A 53 -11.581 -14.402 1.723 1.00 0.00 C ATOM 0 H THR A 53 -8.897 -17.190 -0.017 1.00 0.00 H new ATOM 0 HA THR A 53 -11.081 -17.265 1.864 1.00 0.00 H new ATOM 0 HB THR A 53 -9.511 -14.733 1.321 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.754 -16.344 3.396 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.416 -13.433 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.824 -14.257 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.407 -14.911 2.220 1.00 0.00 H new ATOM 815 N GLY A 54 -12.628 -16.360 0.013 1.00 0.00 N ATOM 816 CA GLY A 54 -13.473 -16.191 -1.155 1.00 0.00 C ATOM 817 C GLY A 54 -13.472 -14.766 -1.669 1.00 0.00 C ATOM 818 O GLY A 54 -12.726 -14.431 -2.591 1.00 0.00 O ATOM 0 H GLY A 54 -13.128 -16.403 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.133 -16.860 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.493 -16.484 -0.907 1.00 0.00 H new ATOM 822 N LEU A 55 -14.309 -13.923 -1.075 1.00 0.00 N ATOM 823 CA LEU A 55 -14.404 -12.525 -1.480 1.00 0.00 C ATOM 824 C LEU A 55 -14.247 -11.598 -0.279 1.00 0.00 C ATOM 825 O LEU A 55 -14.354 -12.029 0.868 1.00 0.00 O ATOM 826 CB LEU A 55 -15.744 -12.263 -2.170 1.00 0.00 C ATOM 827 CG LEU A 55 -15.773 -12.479 -3.684 1.00 0.00 C ATOM 828 CD1 LEU A 55 -17.168 -12.878 -4.139 1.00 0.00 C ATOM 829 CD2 LEU A 55 -15.312 -11.224 -4.410 1.00 0.00 C ATOM 0 H LEU A 55 -14.932 -14.183 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.595 -12.320 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.496 -12.909 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.041 -11.235 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.087 -13.290 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.170 -13.027 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.461 -13.804 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.874 -12.089 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.339 -11.396 -5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.973 -10.395 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.294 -10.982 -4.107 1.00 0.00 H new ATOM 841 N GLY A 56 -13.995 -10.322 -0.552 1.00 0.00 N ATOM 842 CA GLY A 56 -13.830 -9.353 0.517 1.00 0.00 C ATOM 843 C GLY A 56 -14.025 -7.927 0.042 1.00 0.00 C ATOM 844 O GLY A 56 -14.941 -7.644 -0.730 1.00 0.00 O ATOM 0 H GLY A 56 -13.902 -9.941 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.544 -9.569 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.834 -9.457 0.947 1.00 0.00 H new ATOM 848 N GLN A 57 -13.164 -7.027 0.506 1.00 0.00 N ATOM 849 CA GLN A 57 -13.249 -5.622 0.125 1.00 0.00 C ATOM 850 C GLN A 57 -11.971 -5.169 -0.572 1.00 0.00 C ATOM 851 O GLN A 57 -11.005 -5.925 -0.668 1.00 0.00 O ATOM 852 CB GLN A 57 -13.509 -4.753 1.357 1.00 0.00 C ATOM 853 CG GLN A 57 -14.917 -4.891 1.913 1.00 0.00 C ATOM 854 CD GLN A 57 -15.069 -6.095 2.822 1.00 0.00 C ATOM 855 OE1 GLN A 57 -15.733 -7.071 2.473 1.00 0.00 O ATOM 856 NE2 GLN A 57 -14.454 -6.031 3.997 1.00 0.00 N ATOM 0 H GLN A 57 -12.400 -7.245 1.146 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.080 -5.510 -0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.793 -5.017 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.330 -3.709 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.176 -3.988 2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.624 -4.972 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.914 -5.202 4.245 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.522 -6.811 4.651 1.00 0.00 H new ATOM 865 N GLN A 58 -11.974 -3.931 -1.056 1.00 0.00 N ATOM 866 CA GLN A 58 -10.814 -3.378 -1.745 1.00 0.00 C ATOM 867 C GLN A 58 -9.518 -3.871 -1.110 1.00 0.00 C ATOM 868 O GLN A 58 -9.397 -3.931 0.114 1.00 0.00 O ATOM 869 CB GLN A 58 -10.859 -1.850 -1.719 1.00 0.00 C ATOM 870 CG GLN A 58 -9.761 -1.194 -2.541 1.00 0.00 C ATOM 871 CD GLN A 58 -9.789 0.319 -2.451 1.00 0.00 C ATOM 872 OE1 GLN A 58 -10.373 0.887 -1.527 1.00 0.00 O ATOM 873 NE2 GLN A 58 -9.155 0.981 -3.412 1.00 0.00 N ATOM 0 H GLN A 58 -12.766 -3.292 -0.984 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.842 -3.717 -2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.828 -1.517 -2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.780 -1.510 -0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.791 -1.556 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.865 -1.494 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.684 0.470 -4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.139 2.001 -3.404 1.00 0.00 H new ATOM 882 N LEU A 59 -8.550 -4.223 -1.950 1.00 0.00 N ATOM 883 CA LEU A 59 -7.262 -4.711 -1.471 1.00 0.00 C ATOM 884 C LEU A 59 -6.141 -3.744 -1.840 1.00 0.00 C ATOM 885 O LEU A 59 -5.102 -3.704 -1.182 1.00 0.00 O ATOM 886 CB LEU A 59 -6.969 -6.094 -2.055 1.00 0.00 C ATOM 887 CG LEU A 59 -7.144 -6.235 -3.567 1.00 0.00 C ATOM 888 CD1 LEU A 59 -6.270 -7.358 -4.104 1.00 0.00 C ATOM 889 CD2 LEU A 59 -8.605 -6.482 -3.914 1.00 0.00 C ATOM 0 H LEU A 59 -8.633 -4.179 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.311 -4.784 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.944 -6.364 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.620 -6.818 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.832 -5.303 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.408 -7.443 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.224 -7.140 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.550 -8.297 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.711 -6.580 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.944 -7.399 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.209 -5.644 -3.565 1.00 0.00 H new ATOM 901 N GLN A 60 -6.362 -2.965 -2.894 1.00 0.00 N ATOM 902 CA GLN A 60 -5.372 -1.996 -3.348 1.00 0.00 C ATOM 903 C GLN A 60 -6.017 -0.639 -3.609 1.00 0.00 C ATOM 904 O GLN A 60 -7.097 -0.556 -4.191 1.00 0.00 O ATOM 905 CB GLN A 60 -4.681 -2.499 -4.617 1.00 0.00 C ATOM 906 CG GLN A 60 -5.536 -2.369 -5.867 1.00 0.00 C ATOM 907 CD GLN A 60 -4.899 -3.016 -7.081 1.00 0.00 C ATOM 908 OE1 GLN A 60 -4.917 -4.238 -7.228 1.00 0.00 O ATOM 909 NE2 GLN A 60 -4.330 -2.197 -7.958 1.00 0.00 N ATOM 0 H GLN A 60 -7.217 -2.986 -3.449 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.628 -1.878 -2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.755 -1.943 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.407 -3.545 -4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.509 -2.825 -5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.712 -1.313 -6.073 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.339 -1.190 -7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.884 -2.575 -8.794 1.00 0.00 H new ATOM 918 N GLY A 61 -5.346 0.423 -3.174 1.00 0.00 N ATOM 919 CA GLY A 61 -5.870 1.763 -3.370 1.00 0.00 C ATOM 920 C GLY A 61 -4.830 2.835 -3.111 1.00 0.00 C ATOM 921 O GLY A 61 -3.639 2.542 -3.004 1.00 0.00 O ATOM 0 H GLY A 61 -4.449 0.380 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.240 1.859 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.721 1.918 -2.706 1.00 0.00 H new ATOM 925 N TYR A 62 -5.280 4.081 -3.013 1.00 0.00 N ATOM 926 CA TYR A 62 -4.380 5.202 -2.770 1.00 0.00 C ATOM 927 C TYR A 62 -4.061 5.332 -1.284 1.00 0.00 C ATOM 928 O TYR A 62 -4.960 5.326 -0.442 1.00 0.00 O ATOM 929 CB TYR A 62 -4.999 6.502 -3.287 1.00 0.00 C ATOM 930 CG TYR A 62 -5.077 6.578 -4.795 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.934 6.470 -5.576 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.296 6.756 -5.438 1.00 0.00 C ATOM 933 CE1 TYR A 62 -4.001 6.540 -6.954 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.373 6.825 -6.816 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.223 6.717 -7.569 1.00 0.00 C ATOM 936 OH TYR A 62 -5.294 6.785 -8.942 1.00 0.00 O ATOM 0 H TYR A 62 -6.263 4.340 -3.098 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.451 5.012 -3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.002 6.606 -2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.414 7.345 -2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.976 6.329 -5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.198 6.842 -4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.102 6.457 -7.546 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.328 6.963 -7.300 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.227 6.910 -9.216 1.00 0.00 H new ATOM 946 N ILE A 63 -2.776 5.452 -0.969 1.00 0.00 N ATOM 947 CA ILE A 63 -2.337 5.586 0.414 1.00 0.00 C ATOM 948 C ILE A 63 -1.216 6.611 0.539 1.00 0.00 C ATOM 949 O ILE A 63 -0.359 6.740 -0.336 1.00 0.00 O ATOM 950 CB ILE A 63 -1.853 4.240 0.984 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.605 3.764 0.237 1.00 0.00 C ATOM 952 CG2 ILE A 63 -2.958 3.198 0.897 1.00 0.00 C ATOM 953 CD1 ILE A 63 0.145 2.662 0.952 1.00 0.00 C ATOM 0 H ILE A 63 -2.020 5.459 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.200 5.925 0.987 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.595 4.380 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.896 3.411 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.065 4.611 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.599 2.253 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.822 3.535 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.245 3.059 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.017 2.375 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.467 3.017 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.509 1.799 1.077 1.00 0.00 H new ATOM 965 N PRO A 64 -1.218 7.359 1.652 1.00 0.00 N ATOM 966 CA PRO A 64 -0.206 8.385 1.920 1.00 0.00 C ATOM 967 C PRO A 64 1.166 7.785 2.208 1.00 0.00 C ATOM 968 O PRO A 64 1.289 6.839 2.986 1.00 0.00 O ATOM 969 CB PRO A 64 -0.747 9.103 3.159 1.00 0.00 C ATOM 970 CG PRO A 64 -1.610 8.094 3.835 1.00 0.00 C ATOM 971 CD PRO A 64 -2.210 7.259 2.737 1.00 0.00 C ATOM 0 HA PRO A 64 -0.055 9.041 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.062 9.432 3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.317 9.991 2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.027 7.478 4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.387 8.579 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.358 6.226 3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.183 7.640 2.428 1.00 0.00 H new ATOM 979 N SER A 65 2.194 8.341 1.576 1.00 0.00 N ATOM 980 CA SER A 65 3.558 7.858 1.763 1.00 0.00 C ATOM 981 C SER A 65 4.080 8.229 3.148 1.00 0.00 C ATOM 982 O SER A 65 4.670 7.402 3.842 1.00 0.00 O ATOM 983 CB SER A 65 4.478 8.435 0.686 1.00 0.00 C ATOM 984 OG SER A 65 5.839 8.178 0.986 1.00 0.00 O ATOM 0 H SER A 65 2.109 9.126 0.930 1.00 0.00 H new ATOM 0 HA SER A 65 3.548 6.771 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.227 8.000 -0.282 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.317 9.510 0.604 1.00 0.00 H new ATOM 0 HG SER A 65 6.147 7.404 0.471 1.00 0.00 H new ATOM 990 N ASN A 66 3.860 9.479 3.541 1.00 0.00 N ATOM 991 CA ASN A 66 4.309 9.962 4.842 1.00 0.00 C ATOM 992 C ASN A 66 3.867 9.016 5.955 1.00 0.00 C ATOM 993 O ASN A 66 4.402 9.053 7.063 1.00 0.00 O ATOM 994 CB ASN A 66 3.763 11.367 5.104 1.00 0.00 C ATOM 995 CG ASN A 66 4.341 12.398 4.154 1.00 0.00 C ATOM 996 OD1 ASN A 66 5.532 12.373 3.843 1.00 0.00 O ATOM 997 ND2 ASN A 66 3.497 13.312 3.689 1.00 0.00 N ATOM 0 H ASN A 66 3.374 10.176 2.977 1.00 0.00 H new ATOM 0 HA ASN A 66 5.398 9.999 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.677 11.356 5.007 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.988 11.656 6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.828 14.032 3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.518 13.294 3.974 1.00 0.00 H new ATOM 1004 N TYR A 67 2.889 8.171 5.651 1.00 0.00 N ATOM 1005 CA TYR A 67 2.373 7.217 6.626 1.00 0.00 C ATOM 1006 C TYR A 67 3.193 5.930 6.615 1.00 0.00 C ATOM 1007 O TYR A 67 3.355 5.274 7.644 1.00 0.00 O ATOM 1008 CB TYR A 67 0.905 6.902 6.336 1.00 0.00 C ATOM 1009 CG TYR A 67 -0.060 7.880 6.966 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -0.082 9.214 6.576 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -0.950 7.472 7.952 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -0.961 10.112 7.150 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -1.834 8.362 8.530 1.00 0.00 C ATOM 1014 CZ TYR A 67 -1.836 9.681 8.126 1.00 0.00 C ATOM 1015 OH TYR A 67 -2.714 10.572 8.700 1.00 0.00 O ATOM 0 H TYR A 67 2.437 8.127 4.738 1.00 0.00 H new ATOM 0 HA TYR A 67 2.452 7.669 7.615 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.750 6.895 5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.679 5.898 6.697 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.600 9.554 5.811 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.951 6.441 8.272 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.963 11.146 6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.520 8.027 9.294 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.261 10.108 9.368 1.00 0.00 H new ATOM 1025 N VAL A 68 3.708 5.575 5.442 1.00 0.00 N ATOM 1026 CA VAL A 68 4.513 4.368 5.295 1.00 0.00 C ATOM 1027 C VAL A 68 5.974 4.711 5.028 1.00 0.00 C ATOM 1028 O VAL A 68 6.353 5.881 4.999 1.00 0.00 O ATOM 1029 CB VAL A 68 3.988 3.480 4.151 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.520 3.145 4.365 1.00 0.00 C ATOM 1031 CG2 VAL A 68 4.197 4.162 2.808 1.00 0.00 C ATOM 0 H VAL A 68 3.582 6.106 4.580 1.00 0.00 H new ATOM 0 HA VAL A 68 4.438 3.820 6.234 1.00 0.00 H new ATOM 0 HB VAL A 68 4.552 2.547 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.167 2.517 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.402 2.612 5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.937 4.066 4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.820 3.520 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.660 5.111 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.261 4.345 2.654 1.00 0.00 H new ATOM 1041 N ALA A 69 6.792 3.681 4.832 1.00 0.00 N ATOM 1042 CA ALA A 69 8.212 3.873 4.565 1.00 0.00 C ATOM 1043 C ALA A 69 8.834 2.613 3.973 1.00 0.00 C ATOM 1044 O ALA A 69 8.178 1.578 3.867 1.00 0.00 O ATOM 1045 CB ALA A 69 8.939 4.276 5.839 1.00 0.00 C ATOM 0 H ALA A 69 6.495 2.705 4.853 1.00 0.00 H new ATOM 0 HA ALA A 69 8.314 4.675 3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.998 4.416 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.519 5.208 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.821 3.493 6.588 1.00 0.00 H new ATOM 1051 N GLU A 70 10.104 2.710 3.590 1.00 0.00 N ATOM 1052 CA GLU A 70 10.813 1.576 3.008 1.00 0.00 C ATOM 1053 C GLU A 70 11.286 0.614 4.094 1.00 0.00 C ATOM 1054 O GLU A 70 12.186 0.932 4.872 1.00 0.00 O ATOM 1055 CB GLU A 70 12.009 2.062 2.187 1.00 0.00 C ATOM 1056 CG GLU A 70 12.395 1.121 1.058 1.00 0.00 C ATOM 1057 CD GLU A 70 13.804 1.363 0.553 1.00 0.00 C ATOM 1058 OE1 GLU A 70 13.978 2.234 -0.326 1.00 0.00 O ATOM 1059 OE2 GLU A 70 14.733 0.683 1.036 1.00 0.00 O ATOM 0 H GLU A 70 10.662 3.560 3.672 1.00 0.00 H new ATOM 0 HA GLU A 70 10.122 1.046 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.778 3.042 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.865 2.192 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.309 0.091 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.692 1.241 0.234 1.00 0.00 H new ATOM 1066 N ASP A 71 10.671 -0.563 4.142 1.00 0.00 N ATOM 1067 CA ASP A 71 11.028 -1.572 5.131 1.00 0.00 C ATOM 1068 C ASP A 71 12.067 -2.539 4.572 1.00 0.00 C ATOM 1069 O ASP A 71 12.340 -2.545 3.371 1.00 0.00 O ATOM 1070 CB ASP A 71 9.784 -2.343 5.577 1.00 0.00 C ATOM 1071 CG ASP A 71 9.893 -2.843 7.004 1.00 0.00 C ATOM 1072 OD1 ASP A 71 10.625 -2.216 7.797 1.00 0.00 O ATOM 1073 OD2 ASP A 71 9.246 -3.862 7.326 1.00 0.00 O ATOM 0 H ASP A 71 9.923 -0.841 3.507 1.00 0.00 H new ATOM 0 HA ASP A 71 11.459 -1.063 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.909 -1.699 5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.626 -3.190 4.909 1.00 0.00 H new ATOM 1078 N SER A 72 12.644 -3.353 5.450 1.00 0.00 N ATOM 1079 CA SER A 72 13.657 -4.321 5.044 1.00 0.00 C ATOM 1080 C SER A 72 13.070 -5.353 4.086 1.00 0.00 C ATOM 1081 O SER A 72 11.855 -5.427 3.904 1.00 0.00 O ATOM 1082 CB SER A 72 14.243 -5.022 6.271 1.00 0.00 C ATOM 1083 OG SER A 72 13.243 -5.737 6.976 1.00 0.00 O ATOM 0 H SER A 72 12.428 -3.362 6.447 1.00 0.00 H new ATOM 0 HA SER A 72 14.452 -3.783 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.033 -5.706 5.960 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.701 -4.285 6.931 1.00 0.00 H new ATOM 0 HG SER A 72 13.643 -6.177 7.755 1.00 0.00 H new ATOM 1089 N GLY A 73 13.942 -6.149 3.476 1.00 0.00 N ATOM 1090 CA GLY A 73 13.493 -7.167 2.544 1.00 0.00 C ATOM 1091 C GLY A 73 14.582 -7.592 1.580 1.00 0.00 C ATOM 1092 O GLY A 73 14.622 -7.164 0.427 1.00 0.00 O ATOM 0 H GLY A 73 14.952 -6.107 3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.145 -8.037 3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.641 -6.788 1.980 1.00 0.00 H new ATOM 1096 N PRO A 74 15.494 -8.454 2.055 1.00 0.00 N ATOM 1097 CA PRO A 74 16.607 -8.956 1.243 1.00 0.00 C ATOM 1098 C PRO A 74 16.141 -9.902 0.142 1.00 0.00 C ATOM 1099 O PRO A 74 16.075 -11.116 0.341 1.00 0.00 O ATOM 1100 CB PRO A 74 17.478 -9.702 2.257 1.00 0.00 C ATOM 1101 CG PRO A 74 16.539 -10.099 3.343 1.00 0.00 C ATOM 1102 CD PRO A 74 15.509 -9.006 3.420 1.00 0.00 C ATOM 0 HA PRO A 74 17.128 -8.152 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 74 17.953 -10.573 1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 74 18.277 -9.065 2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 74 16.073 -11.060 3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 74 17.064 -10.208 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 74 14.532 -9.394 3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 74 15.780 -8.249 4.156 1.00 0.00 H new ATOM 1110 N SER A 75 15.819 -9.341 -1.018 1.00 0.00 N ATOM 1111 CA SER A 75 15.356 -10.135 -2.150 1.00 0.00 C ATOM 1112 C SER A 75 16.420 -11.141 -2.579 1.00 0.00 C ATOM 1113 O SER A 75 17.618 -10.890 -2.444 1.00 0.00 O ATOM 1114 CB SER A 75 14.996 -9.225 -3.326 1.00 0.00 C ATOM 1115 OG SER A 75 13.788 -8.526 -3.078 1.00 0.00 O ATOM 0 H SER A 75 15.870 -8.339 -1.199 1.00 0.00 H new ATOM 0 HA SER A 75 14.467 -10.683 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.803 -8.513 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.896 -9.820 -4.233 1.00 0.00 H new ATOM 0 HG SER A 75 13.387 -8.253 -3.930 1.00 0.00 H new ATOM 1121 N SER A 76 15.973 -12.282 -3.095 1.00 0.00 N ATOM 1122 CA SER A 76 16.885 -13.329 -3.541 1.00 0.00 C ATOM 1123 C SER A 76 16.545 -13.778 -4.958 1.00 0.00 C ATOM 1124 O SER A 76 15.383 -14.019 -5.283 1.00 0.00 O ATOM 1125 CB SER A 76 16.828 -14.523 -2.587 1.00 0.00 C ATOM 1126 OG SER A 76 15.578 -15.185 -2.671 1.00 0.00 O ATOM 0 H SER A 76 14.985 -12.505 -3.214 1.00 0.00 H new ATOM 0 HA SER A 76 17.896 -12.921 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 76 17.630 -15.222 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.995 -14.184 -1.565 1.00 0.00 H new ATOM 0 HG SER A 76 15.568 -15.945 -2.053 1.00 0.00 H new ATOM 1132 N GLY A 77 17.569 -13.890 -5.799 1.00 0.00 N ATOM 1133 CA GLY A 77 17.359 -14.310 -7.172 1.00 0.00 C ATOM 1134 C GLY A 77 16.616 -15.628 -7.268 1.00 0.00 C ATOM 1135 O GLY A 77 15.528 -15.694 -7.840 1.00 0.00 O ATOM 0 H GLY A 77 18.540 -13.697 -5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.798 -13.541 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.323 -14.403 -7.672 1.00 0.00 H new TER 1139 GLY A 77