USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 866 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 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -125:sc= -0.206 (180deg=-0.501) USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= 1.13 F(o=-4!,f=2.4) USER MOD Set 2.2: A 47 SER OG : rot -45:sc= 1.25 USER MOD Set 3.1: A 22 ASN : amide:sc= 0.177 X(o=0.12,f=-0.06) USER MOD Set 3.2: A 76 ASN : amide:sc= -0.224 K(o=0.12,f=-1.2) USER MOD Set 3.3: A 100 SER OG : rot 101:sc= 0.164 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0525 (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 5 SER OG : rot 180:sc= 0.00296 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 26:sc= -0.746 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 71:sc= -0.4 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -132:sc= -0.948 (180deg=-3.19!) USER MOD Single : A 57 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.61) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -2.16 F(o=-5!,f=-2.2) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN :FLIP amide:sc= -5.33! C(o=-7.4!,f=-5.3!) USER MOD Single : A 85 HIS : no HE2:sc= 0.664 K(o=0.66,f=-3.7!) USER MOD Single : A 86 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.0276 X(o=0.028,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -3.49! C(o=-3.5!,f=-4.3!) USER MOD Single : A 105 HIS : no HD1:sc= 0.089 K(o=0.089,f=-1.4) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0.032) USER MOD Single : A 115 SER OG : rot 38:sc= 0.106 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.993 38.533 -5.001 1.00 0.00 N ATOM 2 CA GLY A 1 -7.916 37.420 -5.133 1.00 0.00 C ATOM 3 C GLY A 1 -8.160 36.710 -3.816 1.00 0.00 C ATOM 4 O GLY A 1 -7.335 36.777 -2.905 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.498 39.425 -5.174 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.594 38.541 -4.041 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.224 38.431 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.865 37.784 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.521 36.708 -5.858 1.00 0.00 H new ATOM 8 N SER A 2 -9.297 36.031 -3.714 1.00 0.00 N ATOM 9 CA SER A 2 -9.651 35.310 -2.496 1.00 0.00 C ATOM 10 C SER A 2 -9.823 33.821 -2.777 1.00 0.00 C ATOM 11 O SER A 2 -10.939 33.341 -2.978 1.00 0.00 O ATOM 12 CB SER A 2 -10.938 35.880 -1.896 1.00 0.00 C ATOM 13 OG SER A 2 -11.163 35.370 -0.593 1.00 0.00 O ATOM 0 H SER A 2 -9.990 35.964 -4.460 1.00 0.00 H new ATOM 0 HA SER A 2 -8.839 35.435 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.875 36.968 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.783 35.632 -2.538 1.00 0.00 H new ATOM 0 HG SER A 2 -11.990 35.751 -0.231 1.00 0.00 H new ATOM 19 N SER A 3 -8.710 33.094 -2.788 1.00 0.00 N ATOM 20 CA SER A 3 -8.737 31.660 -3.048 1.00 0.00 C ATOM 21 C SER A 3 -9.776 30.968 -2.171 1.00 0.00 C ATOM 22 O SER A 3 -9.535 30.704 -0.994 1.00 0.00 O ATOM 23 CB SER A 3 -7.356 31.050 -2.800 1.00 0.00 C ATOM 24 OG SER A 3 -6.413 31.517 -3.749 1.00 0.00 O ATOM 0 H SER A 3 -7.779 33.475 -2.620 1.00 0.00 H new ATOM 0 HA SER A 3 -9.011 31.510 -4.092 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.019 31.302 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.421 29.963 -2.852 1.00 0.00 H new ATOM 0 HG SER A 3 -5.539 31.113 -3.567 1.00 0.00 H new ATOM 30 N GLY A 4 -10.935 30.677 -2.756 1.00 0.00 N ATOM 31 CA GLY A 4 -11.994 30.018 -2.014 1.00 0.00 C ATOM 32 C GLY A 4 -12.327 28.649 -2.572 1.00 0.00 C ATOM 33 O GLY A 4 -13.318 28.485 -3.285 1.00 0.00 O ATOM 0 H GLY A 4 -11.159 30.886 -3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.695 29.919 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.888 30.641 -2.031 1.00 0.00 H new ATOM 37 N SER A 5 -11.498 27.662 -2.248 1.00 0.00 N ATOM 38 CA SER A 5 -11.707 26.300 -2.726 1.00 0.00 C ATOM 39 C SER A 5 -13.195 25.973 -2.803 1.00 0.00 C ATOM 40 O SER A 5 -13.877 25.891 -1.782 1.00 0.00 O ATOM 41 CB SER A 5 -11.000 25.301 -1.808 1.00 0.00 C ATOM 42 OG SER A 5 -9.637 25.646 -1.630 1.00 0.00 O ATOM 0 H SER A 5 -10.675 27.780 -1.657 1.00 0.00 H new ATOM 0 HA SER A 5 -11.284 26.224 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.501 25.275 -0.840 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.072 24.299 -2.232 1.00 0.00 H new ATOM 0 HG SER A 5 -9.209 24.993 -1.038 1.00 0.00 H new ATOM 48 N SER A 6 -13.691 25.789 -4.022 1.00 0.00 N ATOM 49 CA SER A 6 -15.100 25.475 -4.234 1.00 0.00 C ATOM 50 C SER A 6 -15.262 24.078 -4.827 1.00 0.00 C ATOM 51 O SER A 6 -14.562 23.706 -5.768 1.00 0.00 O ATOM 52 CB SER A 6 -15.741 26.511 -5.159 1.00 0.00 C ATOM 53 OG SER A 6 -17.001 26.064 -5.629 1.00 0.00 O ATOM 0 H SER A 6 -13.139 25.852 -4.878 1.00 0.00 H new ATOM 0 HA SER A 6 -15.602 25.501 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.862 27.454 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.082 26.705 -6.005 1.00 0.00 H new ATOM 0 HG SER A 6 -17.391 26.744 -6.217 1.00 0.00 H new ATOM 59 N GLY A 7 -16.191 23.309 -4.268 1.00 0.00 N ATOM 60 CA GLY A 7 -16.429 21.962 -4.752 1.00 0.00 C ATOM 61 C GLY A 7 -15.229 21.055 -4.558 1.00 0.00 C ATOM 62 O GLY A 7 -14.406 20.902 -5.460 1.00 0.00 O ATOM 0 H GLY A 7 -16.783 23.595 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.288 21.539 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.685 22.000 -5.811 1.00 0.00 H new ATOM 66 N MET A 8 -15.129 20.454 -3.377 1.00 0.00 N ATOM 67 CA MET A 8 -14.021 19.558 -3.068 1.00 0.00 C ATOM 68 C MET A 8 -14.365 18.119 -3.441 1.00 0.00 C ATOM 69 O MET A 8 -15.488 17.825 -3.846 1.00 0.00 O ATOM 70 CB MET A 8 -13.669 19.642 -1.581 1.00 0.00 C ATOM 71 CG MET A 8 -12.672 20.741 -1.254 1.00 0.00 C ATOM 72 SD MET A 8 -12.038 20.625 0.430 1.00 0.00 S ATOM 73 CE MET A 8 -10.295 20.355 0.118 1.00 0.00 C ATOM 0 H MET A 8 -15.801 20.571 -2.619 1.00 0.00 H new ATOM 0 HA MET A 8 -13.158 19.871 -3.656 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.582 19.809 -1.009 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.261 18.684 -1.258 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.839 20.691 -1.956 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.148 21.711 -1.393 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.766 20.263 1.066 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.166 19.440 -0.460 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.891 21.198 -0.443 1.00 0.00 H new ATOM 83 N ASN A 9 -13.389 17.227 -3.300 1.00 0.00 N ATOM 84 CA ASN A 9 -13.589 15.819 -3.623 1.00 0.00 C ATOM 85 C ASN A 9 -12.452 14.967 -3.067 1.00 0.00 C ATOM 86 O ASN A 9 -11.295 15.132 -3.448 1.00 0.00 O ATOM 87 CB ASN A 9 -13.687 15.631 -5.138 1.00 0.00 C ATOM 88 CG ASN A 9 -14.487 14.399 -5.518 1.00 0.00 C ATOM 89 OD1 ASN A 9 -14.435 13.377 -4.833 1.00 0.00 O ATOM 90 ND2 ASN A 9 -15.232 14.492 -6.613 1.00 0.00 N ATOM 0 H ASN A 9 -12.453 17.454 -2.965 1.00 0.00 H new ATOM 0 HA ASN A 9 -14.522 15.495 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.150 16.512 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.684 15.553 -5.557 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.792 13.696 -6.918 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.244 15.359 -7.150 1.00 0.00 H new ATOM 97 N GLY A 10 -12.793 14.054 -2.162 1.00 0.00 N ATOM 98 CA GLY A 10 -11.791 13.189 -1.567 1.00 0.00 C ATOM 99 C GLY A 10 -10.842 13.942 -0.656 1.00 0.00 C ATOM 100 O GLY A 10 -10.225 14.925 -1.067 1.00 0.00 O ATOM 0 H GLY A 10 -13.745 13.898 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.286 12.401 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.221 12.702 -2.358 1.00 0.00 H new ATOM 104 N ARG A 11 -10.726 13.481 0.585 1.00 0.00 N ATOM 105 CA ARG A 11 -9.847 14.120 1.558 1.00 0.00 C ATOM 106 C ARG A 11 -9.025 13.080 2.314 1.00 0.00 C ATOM 107 O ARG A 11 -9.334 12.740 3.456 1.00 0.00 O ATOM 108 CB ARG A 11 -10.665 14.954 2.545 1.00 0.00 C ATOM 109 CG ARG A 11 -9.844 15.992 3.292 1.00 0.00 C ATOM 110 CD ARG A 11 -10.733 16.982 4.029 1.00 0.00 C ATOM 111 NE ARG A 11 -10.005 18.185 4.422 1.00 0.00 N ATOM 112 CZ ARG A 11 -10.473 19.077 5.288 1.00 0.00 C ATOM 113 NH1 ARG A 11 -11.662 18.902 5.848 1.00 0.00 N ATOM 114 NH2 ARG A 11 -9.751 20.147 5.596 1.00 0.00 N ATOM 0 H ARG A 11 -11.229 12.668 0.941 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.164 14.775 1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.467 15.457 2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.136 14.288 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.186 15.493 4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.206 16.528 2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.573 17.259 3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.149 16.504 4.916 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.087 18.350 4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.220 18.081 5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.019 19.589 6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.836 20.285 5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.111 20.831 6.261 1.00 0.00 H new ATOM 128 N VAL A 12 -7.978 12.577 1.667 1.00 0.00 N ATOM 129 CA VAL A 12 -7.111 11.576 2.278 1.00 0.00 C ATOM 130 C VAL A 12 -7.911 10.362 2.735 1.00 0.00 C ATOM 131 O VAL A 12 -7.688 9.832 3.824 1.00 0.00 O ATOM 132 CB VAL A 12 -6.346 12.156 3.483 1.00 0.00 C ATOM 133 CG1 VAL A 12 -5.024 11.429 3.676 1.00 0.00 C ATOM 134 CG2 VAL A 12 -6.121 13.650 3.302 1.00 0.00 C ATOM 0 H VAL A 12 -7.710 12.846 0.720 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.395 11.270 1.516 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.949 12.009 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.498 11.852 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.213 10.370 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.412 11.543 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.579 14.043 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.539 13.823 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.083 14.155 3.217 1.00 0.00 H new ATOM 144 N ASP A 13 -8.843 9.925 1.895 1.00 0.00 N ATOM 145 CA ASP A 13 -9.676 8.770 2.212 1.00 0.00 C ATOM 146 C ASP A 13 -9.390 7.615 1.257 1.00 0.00 C ATOM 147 O ASP A 13 -9.515 7.756 0.041 1.00 0.00 O ATOM 148 CB ASP A 13 -11.157 9.149 2.143 1.00 0.00 C ATOM 149 CG ASP A 13 -11.635 9.845 3.402 1.00 0.00 C ATOM 150 OD1 ASP A 13 -10.831 9.976 4.349 1.00 0.00 O ATOM 151 OD2 ASP A 13 -12.813 10.258 3.442 1.00 0.00 O ATOM 0 H ASP A 13 -9.041 10.352 0.990 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.437 8.448 3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.323 9.801 1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.752 8.250 1.980 1.00 0.00 H new ATOM 156 N TYR A 14 -9.003 6.474 1.817 1.00 0.00 N ATOM 157 CA TYR A 14 -8.695 5.296 1.016 1.00 0.00 C ATOM 158 C TYR A 14 -8.452 4.081 1.906 1.00 0.00 C ATOM 159 O TYR A 14 -7.755 4.167 2.918 1.00 0.00 O ATOM 160 CB TYR A 14 -7.468 5.555 0.141 1.00 0.00 C ATOM 161 CG TYR A 14 -6.290 6.120 0.902 1.00 0.00 C ATOM 162 CD1 TYR A 14 -6.237 7.467 1.239 1.00 0.00 C ATOM 163 CD2 TYR A 14 -5.229 5.307 1.283 1.00 0.00 C ATOM 164 CE1 TYR A 14 -5.162 7.988 1.933 1.00 0.00 C ATOM 165 CE2 TYR A 14 -4.151 5.819 1.979 1.00 0.00 C ATOM 166 CZ TYR A 14 -4.122 7.160 2.301 1.00 0.00 C ATOM 167 OH TYR A 14 -3.050 7.674 2.993 1.00 0.00 O ATOM 0 H TYR A 14 -8.895 6.340 2.822 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.552 5.089 0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.168 4.621 -0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.740 6.247 -0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.050 8.118 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.248 4.257 1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.136 9.038 2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.336 5.173 2.269 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.406 6.959 3.176 1.00 0.00 H new ATOM 177 N LEU A 15 -9.030 2.948 1.521 1.00 0.00 N ATOM 178 CA LEU A 15 -8.876 1.713 2.282 1.00 0.00 C ATOM 179 C LEU A 15 -7.510 1.084 2.028 1.00 0.00 C ATOM 180 O LEU A 15 -7.220 0.630 0.921 1.00 0.00 O ATOM 181 CB LEU A 15 -9.983 0.724 1.914 1.00 0.00 C ATOM 182 CG LEU A 15 -10.363 -0.290 2.995 1.00 0.00 C ATOM 183 CD1 LEU A 15 -9.191 -1.209 3.300 1.00 0.00 C ATOM 184 CD2 LEU A 15 -10.827 0.424 4.256 1.00 0.00 C ATOM 0 H LEU A 15 -9.610 2.859 0.686 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.952 1.955 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.875 1.291 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.673 0.177 1.024 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.187 -0.898 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.480 -1.923 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.905 -1.747 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.346 -0.617 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.093 -0.313 5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.024 1.058 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.697 1.039 4.027 1.00 0.00 H new ATOM 196 N VAL A 16 -6.675 1.057 3.062 1.00 0.00 N ATOM 197 CA VAL A 16 -5.341 0.480 2.952 1.00 0.00 C ATOM 198 C VAL A 16 -5.343 -0.990 3.357 1.00 0.00 C ATOM 199 O VAL A 16 -5.966 -1.372 4.349 1.00 0.00 O ATOM 200 CB VAL A 16 -4.326 1.241 3.827 1.00 0.00 C ATOM 201 CG1 VAL A 16 -3.185 0.325 4.240 1.00 0.00 C ATOM 202 CG2 VAL A 16 -3.800 2.463 3.091 1.00 0.00 C ATOM 0 H VAL A 16 -6.899 1.428 3.985 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.044 0.566 1.907 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.833 1.580 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.478 0.880 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.581 -0.516 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.676 -0.046 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.085 2.989 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.308 2.149 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.629 3.128 2.851 1.00 0.00 H new ATOM 212 N THR A 17 -4.641 -1.812 2.584 1.00 0.00 N ATOM 213 CA THR A 17 -4.562 -3.241 2.861 1.00 0.00 C ATOM 214 C THR A 17 -3.165 -3.780 2.574 1.00 0.00 C ATOM 215 O THR A 17 -2.605 -3.538 1.506 1.00 0.00 O ATOM 216 CB THR A 17 -5.587 -4.032 2.027 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.328 -3.850 0.630 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.006 -3.586 2.347 1.00 0.00 C ATOM 0 H THR A 17 -4.119 -1.513 1.761 1.00 0.00 H new ATOM 0 HA THR A 17 -4.788 -3.371 3.919 1.00 0.00 H new ATOM 0 HB THR A 17 -5.489 -5.088 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.382 -3.630 0.499 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.712 -4.159 1.746 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.210 -3.754 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.114 -2.525 2.120 1.00 0.00 H new ATOM 226 N GLU A 18 -2.610 -4.513 3.534 1.00 0.00 N ATOM 227 CA GLU A 18 -1.278 -5.086 3.383 1.00 0.00 C ATOM 228 C GLU A 18 -1.360 -6.535 2.910 1.00 0.00 C ATOM 229 O GLU A 18 -2.023 -7.364 3.532 1.00 0.00 O ATOM 230 CB GLU A 18 -0.513 -5.012 4.706 1.00 0.00 C ATOM 231 CG GLU A 18 0.206 -3.691 4.920 1.00 0.00 C ATOM 232 CD GLU A 18 0.546 -3.441 6.376 1.00 0.00 C ATOM 233 OE1 GLU A 18 -0.330 -3.664 7.238 1.00 0.00 O ATOM 234 OE2 GLU A 18 1.690 -3.023 6.654 1.00 0.00 O ATOM 0 H GLU A 18 -3.062 -4.724 4.424 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.744 -4.506 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.210 -5.174 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.215 -5.822 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.122 -3.681 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.419 -2.878 4.552 1.00 0.00 H new ATOM 241 N GLU A 19 -0.680 -6.831 1.807 1.00 0.00 N ATOM 242 CA GLU A 19 -0.677 -8.179 1.250 1.00 0.00 C ATOM 243 C GLU A 19 0.741 -8.621 0.904 1.00 0.00 C ATOM 244 O GLU A 19 1.537 -7.838 0.387 1.00 0.00 O ATOM 245 CB GLU A 19 -1.562 -8.242 0.004 1.00 0.00 C ATOM 246 CG GLU A 19 -1.424 -9.539 -0.776 1.00 0.00 C ATOM 247 CD GLU A 19 -2.692 -9.912 -1.518 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.098 -9.151 -2.421 1.00 0.00 O ATOM 249 OE2 GLU A 19 -3.279 -10.966 -1.195 1.00 0.00 O ATOM 0 H GLU A 19 -0.124 -6.156 1.282 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.076 -8.857 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.603 -8.116 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.314 -7.406 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.605 -9.444 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.159 -10.344 -0.091 1.00 0.00 H new ATOM 256 N GLU A 20 1.049 -9.882 1.192 1.00 0.00 N ATOM 257 CA GLU A 20 2.372 -10.428 0.912 1.00 0.00 C ATOM 258 C GLU A 20 2.382 -11.174 -0.419 1.00 0.00 C ATOM 259 O GLU A 20 1.737 -12.212 -0.566 1.00 0.00 O ATOM 260 CB GLU A 20 2.810 -11.367 2.038 1.00 0.00 C ATOM 261 CG GLU A 20 4.317 -11.446 2.213 1.00 0.00 C ATOM 262 CD GLU A 20 4.737 -12.552 3.162 1.00 0.00 C ATOM 263 OE1 GLU A 20 4.341 -13.714 2.931 1.00 0.00 O ATOM 264 OE2 GLU A 20 5.461 -12.256 4.135 1.00 0.00 O ATOM 0 H GLU A 20 0.401 -10.544 1.619 1.00 0.00 H new ATOM 0 HA GLU A 20 3.074 -9.596 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.361 -11.033 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.423 -12.366 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.784 -11.609 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.686 -10.491 2.588 1.00 0.00 H new ATOM 271 N ILE A 21 3.118 -10.636 -1.386 1.00 0.00 N ATOM 272 CA ILE A 21 3.212 -11.251 -2.705 1.00 0.00 C ATOM 273 C ILE A 21 4.412 -12.188 -2.789 1.00 0.00 C ATOM 274 O ILE A 21 5.555 -11.743 -2.876 1.00 0.00 O ATOM 275 CB ILE A 21 3.326 -10.188 -3.814 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.080 -9.301 -3.830 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.526 -10.854 -5.167 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.800 -10.061 -4.103 1.00 0.00 C ATOM 0 H ILE A 21 3.657 -9.777 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 21 2.296 -11.823 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 21 4.193 -9.560 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.993 -8.793 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.203 -8.529 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.605 -10.090 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.440 -11.448 -5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.677 -11.502 -5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.042 -9.369 -4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.866 -10.547 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.653 -10.815 -3.330 1.00 0.00 H new ATOM 290 N ASN A 22 4.142 -13.489 -2.766 1.00 0.00 N ATOM 291 CA ASN A 22 5.199 -14.491 -2.841 1.00 0.00 C ATOM 292 C ASN A 22 5.553 -14.799 -4.293 1.00 0.00 C ATOM 293 O ASN A 22 4.804 -15.479 -4.996 1.00 0.00 O ATOM 294 CB ASN A 22 4.767 -15.773 -2.127 1.00 0.00 C ATOM 295 CG ASN A 22 4.250 -15.508 -0.726 1.00 0.00 C ATOM 296 OD1 ASN A 22 3.101 -15.816 -0.408 1.00 0.00 O ATOM 297 ND2 ASN A 22 5.098 -14.934 0.119 1.00 0.00 N ATOM 0 H ASN A 22 3.200 -13.874 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 22 6.083 -14.089 -2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.990 -16.267 -2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.612 -16.460 -2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.806 -14.731 1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.041 -14.696 -0.188 1.00 0.00 H new ATOM 304 N LEU A 23 6.700 -14.296 -4.735 1.00 0.00 N ATOM 305 CA LEU A 23 7.156 -14.518 -6.103 1.00 0.00 C ATOM 306 C LEU A 23 8.440 -15.341 -6.123 1.00 0.00 C ATOM 307 O LEU A 23 9.201 -15.349 -5.155 1.00 0.00 O ATOM 308 CB LEU A 23 7.384 -13.180 -6.809 1.00 0.00 C ATOM 309 CG LEU A 23 6.130 -12.357 -7.108 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.504 -10.928 -7.472 1.00 0.00 C ATOM 311 CD2 LEU A 23 5.324 -13.000 -8.227 1.00 0.00 C ATOM 0 H LEU A 23 7.331 -13.732 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 23 6.382 -15.074 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.052 -12.577 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.901 -13.371 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 23 5.512 -12.332 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.599 -10.357 -7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.038 -10.469 -6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.143 -10.933 -8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.436 -12.401 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.934 -13.056 -9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.025 -14.005 -7.929 1.00 0.00 H new ATOM 323 N THR A 24 8.675 -16.034 -7.233 1.00 0.00 N ATOM 324 CA THR A 24 9.867 -16.860 -7.380 1.00 0.00 C ATOM 325 C THR A 24 10.936 -16.143 -8.196 1.00 0.00 C ATOM 326 O THR A 24 10.642 -15.539 -9.228 1.00 0.00 O ATOM 327 CB THR A 24 9.539 -18.205 -8.055 1.00 0.00 C ATOM 328 OG1 THR A 24 8.585 -18.928 -7.269 1.00 0.00 O ATOM 329 CG2 THR A 24 10.796 -19.042 -8.233 1.00 0.00 C ATOM 0 H THR A 24 8.055 -16.040 -8.043 1.00 0.00 H new ATOM 0 HA THR A 24 10.246 -17.049 -6.376 1.00 0.00 H new ATOM 0 HB THR A 24 9.117 -17.999 -9.039 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.381 -19.781 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.539 -19.987 -8.712 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.508 -18.501 -8.856 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.243 -19.239 -7.259 1.00 0.00 H new ATOM 337 N ARG A 25 12.178 -16.213 -7.728 1.00 0.00 N ATOM 338 CA ARG A 25 13.291 -15.569 -8.415 1.00 0.00 C ATOM 339 C ARG A 25 13.495 -16.171 -9.802 1.00 0.00 C ATOM 340 O ARG A 25 13.804 -17.354 -9.938 1.00 0.00 O ATOM 341 CB ARG A 25 14.574 -15.708 -7.593 1.00 0.00 C ATOM 342 CG ARG A 25 15.805 -15.145 -8.285 1.00 0.00 C ATOM 343 CD ARG A 25 16.969 -14.998 -7.319 1.00 0.00 C ATOM 344 NE ARG A 25 17.679 -16.258 -7.120 1.00 0.00 N ATOM 345 CZ ARG A 25 18.788 -16.371 -6.399 1.00 0.00 C ATOM 346 NH1 ARG A 25 19.312 -15.305 -5.811 1.00 0.00 N ATOM 347 NH2 ARG A 25 19.376 -17.554 -6.265 1.00 0.00 N ATOM 0 H ARG A 25 12.439 -16.709 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 25 13.053 -14.511 -8.528 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.440 -15.200 -6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.742 -16.762 -7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.093 -15.801 -9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.567 -14.174 -8.720 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.662 -14.248 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.600 -14.635 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 25 17.302 -17.098 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.863 -14.395 -5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.164 -15.395 -5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.976 -18.377 -6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.228 -17.640 -5.711 1.00 0.00 H new ATOM 361 N GLY A 26 13.319 -15.348 -10.831 1.00 0.00 N ATOM 362 CA GLY A 26 13.488 -15.817 -12.194 1.00 0.00 C ATOM 363 C GLY A 26 14.880 -16.356 -12.454 1.00 0.00 C ATOM 364 O GLY A 26 15.581 -16.790 -11.540 1.00 0.00 O ATOM 0 H GLY A 26 13.062 -14.365 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.755 -16.597 -12.400 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.284 -14.999 -12.884 1.00 0.00 H new ATOM 368 N PRO A 27 15.299 -16.336 -13.728 1.00 0.00 N ATOM 369 CA PRO A 27 16.619 -16.825 -14.135 1.00 0.00 C ATOM 370 C PRO A 27 17.747 -15.922 -13.647 1.00 0.00 C ATOM 371 O PRO A 27 18.835 -16.395 -13.319 1.00 0.00 O ATOM 372 CB PRO A 27 16.547 -16.811 -15.664 1.00 0.00 C ATOM 373 CG PRO A 27 15.521 -15.779 -15.985 1.00 0.00 C ATOM 374 CD PRO A 27 14.515 -15.833 -14.869 1.00 0.00 C ATOM 0 HA PRO A 27 16.838 -17.806 -13.714 1.00 0.00 H new ATOM 0 HB2 PRO A 27 17.512 -16.560 -16.104 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.263 -17.788 -16.056 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.972 -14.789 -16.056 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.049 -15.984 -16.946 1.00 0.00 H new ATOM 0 HD2 PRO A 27 14.090 -14.851 -14.663 1.00 0.00 H new ATOM 0 HD3 PRO A 27 13.684 -16.496 -15.109 1.00 0.00 H new ATOM 382 N SER A 28 17.480 -14.621 -13.601 1.00 0.00 N ATOM 383 CA SER A 28 18.474 -13.651 -13.156 1.00 0.00 C ATOM 384 C SER A 28 17.985 -12.898 -11.923 1.00 0.00 C ATOM 385 O SER A 28 18.707 -12.765 -10.936 1.00 0.00 O ATOM 386 CB SER A 28 18.791 -12.662 -14.279 1.00 0.00 C ATOM 387 OG SER A 28 19.691 -11.660 -13.838 1.00 0.00 O ATOM 0 H SER A 28 16.583 -14.214 -13.867 1.00 0.00 H new ATOM 0 HA SER A 28 19.382 -14.194 -12.892 1.00 0.00 H new ATOM 0 HB2 SER A 28 19.222 -13.195 -15.126 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.869 -12.198 -14.630 1.00 0.00 H new ATOM 0 HG SER A 28 19.879 -11.042 -14.575 1.00 0.00 H new ATOM 393 N GLY A 29 16.751 -12.408 -11.988 1.00 0.00 N ATOM 394 CA GLY A 29 16.184 -11.674 -10.871 1.00 0.00 C ATOM 395 C GLY A 29 14.673 -11.781 -10.814 1.00 0.00 C ATOM 396 O GLY A 29 14.132 -12.787 -10.355 1.00 0.00 O ATOM 0 H GLY A 29 16.134 -12.506 -12.794 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.607 -12.051 -9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.468 -10.625 -10.948 1.00 0.00 H new ATOM 400 N LEU A 30 13.991 -10.741 -11.279 1.00 0.00 N ATOM 401 CA LEU A 30 12.532 -10.720 -11.277 1.00 0.00 C ATOM 402 C LEU A 30 11.991 -10.306 -12.642 1.00 0.00 C ATOM 403 O LEU A 30 12.755 -9.993 -13.554 1.00 0.00 O ATOM 404 CB LEU A 30 12.017 -9.764 -10.200 1.00 0.00 C ATOM 405 CG LEU A 30 12.295 -10.171 -8.752 1.00 0.00 C ATOM 406 CD1 LEU A 30 11.990 -9.019 -7.807 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.480 -11.400 -8.378 1.00 0.00 C ATOM 0 H LEU A 30 14.424 -9.901 -11.662 1.00 0.00 H new ATOM 0 HA LEU A 30 12.179 -11.728 -11.058 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.460 -8.783 -10.372 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.940 -9.654 -10.325 1.00 0.00 H new ATOM 0 HG LEU A 30 13.352 -10.419 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.193 -9.326 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.617 -8.164 -8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.941 -8.740 -7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.690 -11.675 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.418 -11.179 -8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.747 -12.227 -9.035 1.00 0.00 H new ATOM 419 N GLY A 31 10.668 -10.306 -12.773 1.00 0.00 N ATOM 420 CA GLY A 31 10.048 -9.926 -14.029 1.00 0.00 C ATOM 421 C GLY A 31 9.232 -8.654 -13.912 1.00 0.00 C ATOM 422 O GLY A 31 8.077 -8.607 -14.336 1.00 0.00 O ATOM 0 H GLY A 31 10.015 -10.562 -12.033 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.821 -9.790 -14.785 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.405 -10.736 -14.373 1.00 0.00 H new ATOM 426 N PHE A 32 9.832 -7.620 -13.333 1.00 0.00 N ATOM 427 CA PHE A 32 9.153 -6.341 -13.158 1.00 0.00 C ATOM 428 C PHE A 32 10.127 -5.269 -12.680 1.00 0.00 C ATOM 429 O PHE A 32 11.040 -5.546 -11.903 1.00 0.00 O ATOM 430 CB PHE A 32 8.002 -6.483 -12.160 1.00 0.00 C ATOM 431 CG PHE A 32 8.455 -6.807 -10.765 1.00 0.00 C ATOM 432 CD1 PHE A 32 8.622 -8.123 -10.364 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.714 -5.795 -9.854 1.00 0.00 C ATOM 434 CE1 PHE A 32 9.040 -8.424 -9.081 1.00 0.00 C ATOM 435 CE2 PHE A 32 9.132 -6.090 -8.570 1.00 0.00 C ATOM 436 CZ PHE A 32 9.294 -7.406 -8.183 1.00 0.00 C ATOM 0 H PHE A 32 10.787 -7.642 -12.977 1.00 0.00 H new ATOM 0 HA PHE A 32 8.751 -6.036 -14.124 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.431 -5.555 -12.142 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.327 -7.266 -12.505 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.423 -8.923 -11.062 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.588 -4.764 -10.151 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.168 -9.454 -8.781 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.332 -5.292 -7.870 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.619 -7.639 -7.180 1.00 0.00 H new ATOM 446 N ASN A 33 9.926 -4.042 -13.150 1.00 0.00 N ATOM 447 CA ASN A 33 10.786 -2.927 -12.772 1.00 0.00 C ATOM 448 C ASN A 33 10.316 -2.296 -11.465 1.00 0.00 C ATOM 449 O ASN A 33 9.116 -2.204 -11.205 1.00 0.00 O ATOM 450 CB ASN A 33 10.808 -1.873 -13.881 1.00 0.00 C ATOM 451 CG ASN A 33 11.901 -2.130 -14.901 1.00 0.00 C ATOM 452 OD1 ASN A 33 11.710 -2.882 -15.856 1.00 0.00 O ATOM 453 ND2 ASN A 33 13.055 -1.503 -14.701 1.00 0.00 N ATOM 0 H ASN A 33 9.174 -3.795 -13.794 1.00 0.00 H new ATOM 0 HA ASN A 33 11.795 -3.313 -12.627 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.841 -1.859 -14.384 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.952 -0.887 -13.439 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.828 -1.636 -15.354 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.168 -0.888 -13.895 1.00 0.00 H new ATOM 460 N ILE A 34 11.269 -1.864 -10.647 1.00 0.00 N ATOM 461 CA ILE A 34 10.953 -1.240 -9.368 1.00 0.00 C ATOM 462 C ILE A 34 11.500 0.181 -9.299 1.00 0.00 C ATOM 463 O ILE A 34 12.455 0.525 -9.995 1.00 0.00 O ATOM 464 CB ILE A 34 11.518 -2.054 -8.189 1.00 0.00 C ATOM 465 CG1 ILE A 34 13.026 -2.254 -8.356 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.810 -3.396 -8.083 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.767 -2.386 -7.044 1.00 0.00 C ATOM 0 H ILE A 34 12.267 -1.934 -10.847 1.00 0.00 H new ATOM 0 HA ILE A 34 9.866 -1.212 -9.291 1.00 0.00 H new ATOM 0 HB ILE A 34 11.343 -1.499 -7.267 1.00 0.00 H new ATOM 0 HG12 ILE A 34 13.202 -3.148 -8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.437 -1.412 -8.913 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.221 -3.959 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.744 -3.233 -7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.957 -3.959 -9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.830 -2.525 -7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.622 -1.483 -6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 34 13.383 -3.246 -6.494 1.00 0.00 H new ATOM 479 N VAL A 35 10.890 1.004 -8.452 1.00 0.00 N ATOM 480 CA VAL A 35 11.317 2.389 -8.289 1.00 0.00 C ATOM 481 C VAL A 35 11.397 2.769 -6.815 1.00 0.00 C ATOM 482 O VAL A 35 10.404 2.704 -6.092 1.00 0.00 O ATOM 483 CB VAL A 35 10.362 3.360 -9.008 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.483 3.209 -10.517 1.00 0.00 C ATOM 485 CG2 VAL A 35 8.929 3.130 -8.554 1.00 0.00 C ATOM 0 H VAL A 35 10.098 0.736 -7.868 1.00 0.00 H new ATOM 0 HA VAL A 35 12.308 2.469 -8.736 1.00 0.00 H new ATOM 0 HB VAL A 35 10.643 4.380 -8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.801 3.903 -11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.506 3.428 -10.824 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.229 2.188 -10.802 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.267 3.824 -9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.634 2.107 -8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.857 3.294 -7.479 1.00 0.00 H new ATOM 495 N GLY A 36 12.587 3.168 -6.375 1.00 0.00 N ATOM 496 CA GLY A 36 12.774 3.554 -4.989 1.00 0.00 C ATOM 497 C GLY A 36 14.132 4.180 -4.740 1.00 0.00 C ATOM 498 O GLY A 36 14.949 4.290 -5.653 1.00 0.00 O ATOM 0 H GLY A 36 13.424 3.231 -6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.994 4.260 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.659 2.677 -4.352 1.00 0.00 H new ATOM 502 N GLY A 37 14.374 4.591 -3.499 1.00 0.00 N ATOM 503 CA GLY A 37 15.643 5.206 -3.155 1.00 0.00 C ATOM 504 C GLY A 37 15.508 6.685 -2.851 1.00 0.00 C ATOM 505 O GLY A 37 15.061 7.462 -3.695 1.00 0.00 O ATOM 0 H GLY A 37 13.714 4.509 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.066 4.698 -2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.344 5.070 -3.979 1.00 0.00 H new ATOM 509 N THR A 38 15.894 7.076 -1.641 1.00 0.00 N ATOM 510 CA THR A 38 15.811 8.471 -1.226 1.00 0.00 C ATOM 511 C THR A 38 16.403 9.395 -2.284 1.00 0.00 C ATOM 512 O THR A 38 16.069 10.579 -2.345 1.00 0.00 O ATOM 513 CB THR A 38 16.542 8.704 0.110 1.00 0.00 C ATOM 514 OG1 THR A 38 17.879 8.195 0.032 1.00 0.00 O ATOM 515 CG2 THR A 38 15.804 8.030 1.256 1.00 0.00 C ATOM 0 H THR A 38 16.267 6.446 -0.931 1.00 0.00 H new ATOM 0 HA THR A 38 14.753 8.700 -1.098 1.00 0.00 H new ATOM 0 HB THR A 38 16.572 9.777 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.413 8.767 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.339 8.209 2.189 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.797 8.440 1.331 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.746 6.957 1.071 1.00 0.00 H new ATOM 523 N ASP A 39 17.281 8.848 -3.117 1.00 0.00 N ATOM 524 CA ASP A 39 17.918 9.624 -4.175 1.00 0.00 C ATOM 525 C ASP A 39 17.149 9.488 -5.486 1.00 0.00 C ATOM 526 O ASP A 39 17.100 10.422 -6.286 1.00 0.00 O ATOM 527 CB ASP A 39 19.365 9.169 -4.369 1.00 0.00 C ATOM 528 CG ASP A 39 20.160 10.123 -5.240 1.00 0.00 C ATOM 529 OD1 ASP A 39 19.574 10.690 -6.187 1.00 0.00 O ATOM 530 OD2 ASP A 39 21.366 10.303 -4.974 1.00 0.00 O ATOM 0 H ASP A 39 17.568 7.870 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 39 17.912 10.673 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.849 9.081 -3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.374 8.177 -4.820 1.00 0.00 H new ATOM 535 N GLN A 40 16.552 8.320 -5.698 1.00 0.00 N ATOM 536 CA GLN A 40 15.787 8.063 -6.913 1.00 0.00 C ATOM 537 C GLN A 40 14.294 7.989 -6.611 1.00 0.00 C ATOM 538 O GLN A 40 13.531 7.379 -7.359 1.00 0.00 O ATOM 539 CB GLN A 40 16.253 6.762 -7.567 1.00 0.00 C ATOM 540 CG GLN A 40 17.731 6.754 -7.924 1.00 0.00 C ATOM 541 CD GLN A 40 18.021 7.481 -9.223 1.00 0.00 C ATOM 542 OE1 GLN A 40 18.317 8.676 -9.226 1.00 0.00 O ATOM 543 NE2 GLN A 40 17.937 6.761 -10.336 1.00 0.00 N ATOM 0 H GLN A 40 16.583 7.537 -5.045 1.00 0.00 H new ATOM 0 HA GLN A 40 15.958 8.890 -7.603 1.00 0.00 H new ATOM 0 HB2 GLN A 40 16.047 5.932 -6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.669 6.590 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.298 7.218 -7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 40 18.076 5.723 -8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.688 5.773 -10.287 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.121 7.196 -11.240 1.00 0.00 H new ATOM 552 N GLN A 41 13.886 8.612 -5.510 1.00 0.00 N ATOM 553 CA GLN A 41 12.484 8.615 -5.109 1.00 0.00 C ATOM 554 C GLN A 41 11.575 8.851 -6.311 1.00 0.00 C ATOM 555 O GLN A 41 11.623 9.909 -6.939 1.00 0.00 O ATOM 556 CB GLN A 41 12.237 9.689 -4.049 1.00 0.00 C ATOM 557 CG GLN A 41 12.978 9.439 -2.745 1.00 0.00 C ATOM 558 CD GLN A 41 12.485 10.321 -1.615 1.00 0.00 C ATOM 559 OE1 GLN A 41 11.177 10.316 -1.387 1.00 0.00 O flip ATOM 560 NE2 GLN A 41 13.271 11.001 -0.954 1.00 0.00 N flip ATOM 0 H GLN A 41 14.506 9.121 -4.880 1.00 0.00 H new ATOM 0 HA GLN A 41 12.251 7.638 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.538 10.658 -4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.168 9.747 -3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.863 8.393 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.043 9.612 -2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.269 10.975 -1.163 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.924 11.590 -0.197 1.00 0.00 H new ATOM 569 N TYR A 42 10.749 7.860 -6.625 1.00 0.00 N ATOM 570 CA TYR A 42 9.831 7.959 -7.753 1.00 0.00 C ATOM 571 C TYR A 42 8.955 9.203 -7.636 1.00 0.00 C ATOM 572 O TYR A 42 8.614 9.833 -8.637 1.00 0.00 O ATOM 573 CB TYR A 42 8.953 6.709 -7.834 1.00 0.00 C ATOM 574 CG TYR A 42 8.328 6.495 -9.194 1.00 0.00 C ATOM 575 CD1 TYR A 42 9.077 6.001 -10.255 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.987 6.786 -9.418 1.00 0.00 C ATOM 577 CE1 TYR A 42 8.510 5.805 -11.499 1.00 0.00 C ATOM 578 CE2 TYR A 42 6.412 6.591 -10.659 1.00 0.00 C ATOM 579 CZ TYR A 42 7.177 6.101 -11.696 1.00 0.00 C ATOM 580 OH TYR A 42 6.608 5.906 -12.934 1.00 0.00 O ATOM 0 H TYR A 42 10.696 6.979 -6.114 1.00 0.00 H new ATOM 0 HA TYR A 42 10.423 8.039 -8.665 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.554 5.836 -7.578 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.162 6.782 -7.087 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.120 5.766 -10.104 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.385 7.171 -8.608 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.107 5.422 -12.313 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.369 6.821 -10.816 1.00 0.00 H new ATOM 0 HH TYR A 42 5.663 6.162 -12.903 1.00 0.00 H new ATOM 590 N VAL A 43 8.595 9.551 -6.404 1.00 0.00 N ATOM 591 CA VAL A 43 7.761 10.720 -6.153 1.00 0.00 C ATOM 592 C VAL A 43 8.299 11.539 -4.985 1.00 0.00 C ATOM 593 O VAL A 43 8.891 10.995 -4.053 1.00 0.00 O ATOM 594 CB VAL A 43 6.305 10.317 -5.855 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.361 11.476 -6.135 1.00 0.00 C ATOM 596 CG2 VAL A 43 5.914 9.092 -6.669 1.00 0.00 C ATOM 0 H VAL A 43 8.868 9.040 -5.565 1.00 0.00 H new ATOM 0 HA VAL A 43 7.785 11.326 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 43 6.226 10.063 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.337 11.172 -5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.629 12.324 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.440 11.764 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.882 8.821 -6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.009 9.316 -7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.571 8.260 -6.413 1.00 0.00 H new ATOM 606 N SER A 44 8.089 12.850 -5.043 1.00 0.00 N ATOM 607 CA SER A 44 8.557 13.745 -3.991 1.00 0.00 C ATOM 608 C SER A 44 7.983 13.339 -2.637 1.00 0.00 C ATOM 609 O SER A 44 8.598 13.567 -1.596 1.00 0.00 O ATOM 610 CB SER A 44 8.166 15.190 -4.311 1.00 0.00 C ATOM 611 OG SER A 44 8.959 15.712 -5.363 1.00 0.00 O ATOM 0 H SER A 44 7.598 13.316 -5.806 1.00 0.00 H new ATOM 0 HA SER A 44 9.643 13.672 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.113 15.232 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.285 15.808 -3.421 1.00 0.00 H new ATOM 0 HG SER A 44 8.689 16.635 -5.549 1.00 0.00 H new ATOM 617 N ASN A 45 6.799 12.736 -2.660 1.00 0.00 N ATOM 618 CA ASN A 45 6.140 12.298 -1.435 1.00 0.00 C ATOM 619 C ASN A 45 6.255 10.786 -1.266 1.00 0.00 C ATOM 620 O ASN A 45 5.698 10.211 -0.330 1.00 0.00 O ATOM 621 CB ASN A 45 4.667 12.710 -1.448 1.00 0.00 C ATOM 622 CG ASN A 45 4.485 14.199 -1.666 1.00 0.00 C ATOM 623 OD1 ASN A 45 5.392 14.991 -1.410 1.00 0.00 O ATOM 624 ND2 ASN A 45 3.307 14.588 -2.143 1.00 0.00 N ATOM 0 H ASN A 45 6.276 12.539 -3.513 1.00 0.00 H new ATOM 0 HA ASN A 45 6.637 12.779 -0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.147 12.164 -2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.204 12.425 -0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.126 15.578 -2.311 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.584 13.897 -2.341 1.00 0.00 H new ATOM 631 N ASP A 46 6.982 10.148 -2.177 1.00 0.00 N ATOM 632 CA ASP A 46 7.173 8.703 -2.128 1.00 0.00 C ATOM 633 C ASP A 46 8.657 8.351 -2.115 1.00 0.00 C ATOM 634 O ASP A 46 9.403 8.728 -3.019 1.00 0.00 O ATOM 635 CB ASP A 46 6.489 8.037 -3.323 1.00 0.00 C ATOM 636 CG ASP A 46 5.055 8.496 -3.499 1.00 0.00 C ATOM 637 OD1 ASP A 46 4.751 9.650 -3.128 1.00 0.00 O ATOM 638 OD2 ASP A 46 4.236 7.703 -4.009 1.00 0.00 O ATOM 0 H ASP A 46 7.449 10.609 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 46 6.722 8.332 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.052 8.258 -4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.508 6.955 -3.192 1.00 0.00 H new ATOM 643 N SER A 47 9.079 7.627 -1.083 1.00 0.00 N ATOM 644 CA SER A 47 10.475 7.228 -0.949 1.00 0.00 C ATOM 645 C SER A 47 10.609 5.709 -0.954 1.00 0.00 C ATOM 646 O SER A 47 11.691 5.170 -1.181 1.00 0.00 O ATOM 647 CB SER A 47 11.070 7.800 0.340 1.00 0.00 C ATOM 648 OG SER A 47 10.472 9.042 0.670 1.00 0.00 O ATOM 0 H SER A 47 8.474 7.305 -0.328 1.00 0.00 H new ATOM 0 HA SER A 47 11.024 7.626 -1.802 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.923 7.094 1.157 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.146 7.931 0.221 1.00 0.00 H new ATOM 0 HG SER A 47 10.408 9.598 -0.134 1.00 0.00 H new ATOM 654 N GLY A 48 9.498 5.022 -0.700 1.00 0.00 N ATOM 655 CA GLY A 48 9.512 3.571 -0.679 1.00 0.00 C ATOM 656 C GLY A 48 9.719 2.973 -2.057 1.00 0.00 C ATOM 657 O GLY A 48 9.899 3.699 -3.035 1.00 0.00 O ATOM 0 H GLY A 48 8.590 5.445 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.305 3.228 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.571 3.208 -0.266 1.00 0.00 H new ATOM 661 N ILE A 49 9.695 1.647 -2.134 1.00 0.00 N ATOM 662 CA ILE A 49 9.882 0.953 -3.402 1.00 0.00 C ATOM 663 C ILE A 49 8.542 0.601 -4.039 1.00 0.00 C ATOM 664 O ILE A 49 7.709 -0.068 -3.427 1.00 0.00 O ATOM 665 CB ILE A 49 10.706 -0.335 -3.222 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.835 -0.108 -2.214 1.00 0.00 C ATOM 667 CG2 ILE A 49 11.268 -0.796 -4.559 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.756 1.032 -2.585 1.00 0.00 C ATOM 0 H ILE A 49 9.548 1.032 -1.334 1.00 0.00 H new ATOM 0 HA ILE A 49 10.425 1.634 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 49 10.051 -1.116 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.401 0.090 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.421 -1.023 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.848 -1.708 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.448 -0.993 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.911 -0.018 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.532 1.135 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.218 0.827 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.183 1.957 -2.646 1.00 0.00 H new ATOM 680 N TYR A 50 8.342 1.055 -5.271 1.00 0.00 N ATOM 681 CA TYR A 50 7.102 0.788 -5.991 1.00 0.00 C ATOM 682 C TYR A 50 7.373 -0.003 -7.268 1.00 0.00 C ATOM 683 O TYR A 50 8.512 -0.377 -7.550 1.00 0.00 O ATOM 684 CB TYR A 50 6.393 2.100 -6.332 1.00 0.00 C ATOM 685 CG TYR A 50 6.063 2.942 -5.120 1.00 0.00 C ATOM 686 CD1 TYR A 50 7.058 3.621 -4.429 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.754 3.058 -4.667 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.760 4.391 -3.321 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.447 3.826 -3.561 1.00 0.00 C ATOM 690 CZ TYR A 50 5.453 4.490 -2.891 1.00 0.00 C ATOM 691 OH TYR A 50 5.152 5.257 -1.788 1.00 0.00 O ATOM 0 H TYR A 50 9.022 1.609 -5.792 1.00 0.00 H new ATOM 0 HA TYR A 50 6.458 0.192 -5.345 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.024 2.680 -7.006 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.472 1.876 -6.871 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.082 3.546 -4.763 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.964 2.539 -5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.546 4.912 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.425 3.906 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 50 4.187 5.222 -1.618 1.00 0.00 H new ATOM 701 N VAL A 51 6.318 -0.253 -8.037 1.00 0.00 N ATOM 702 CA VAL A 51 6.440 -0.997 -9.284 1.00 0.00 C ATOM 703 C VAL A 51 6.183 -0.098 -10.488 1.00 0.00 C ATOM 704 O VAL A 51 5.072 0.396 -10.681 1.00 0.00 O ATOM 705 CB VAL A 51 5.462 -2.186 -9.327 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.553 -2.905 -10.664 1.00 0.00 C ATOM 707 CG2 VAL A 51 5.737 -3.144 -8.177 1.00 0.00 C ATOM 0 H VAL A 51 5.369 0.049 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 51 7.461 -1.375 -9.328 1.00 0.00 H new ATOM 0 HB VAL A 51 4.447 -1.803 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.855 -3.742 -10.675 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.302 -2.212 -11.467 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.567 -3.277 -10.809 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.037 -3.978 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.757 -3.522 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.615 -2.619 -7.229 1.00 0.00 H new ATOM 717 N SER A 52 7.218 0.110 -11.296 1.00 0.00 N ATOM 718 CA SER A 52 7.105 0.953 -12.481 1.00 0.00 C ATOM 719 C SER A 52 6.382 0.217 -13.605 1.00 0.00 C ATOM 720 O SER A 52 5.402 0.716 -14.158 1.00 0.00 O ATOM 721 CB SER A 52 8.492 1.393 -12.953 1.00 0.00 C ATOM 722 OG SER A 52 8.398 2.280 -14.055 1.00 0.00 O ATOM 0 H SER A 52 8.144 -0.293 -11.152 1.00 0.00 H new ATOM 0 HA SER A 52 6.522 1.835 -12.215 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.021 1.880 -12.134 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.078 0.518 -13.235 1.00 0.00 H new ATOM 0 HG SER A 52 9.298 2.548 -14.337 1.00 0.00 H new ATOM 728 N ARG A 53 6.874 -0.972 -13.936 1.00 0.00 N ATOM 729 CA ARG A 53 6.277 -1.778 -14.995 1.00 0.00 C ATOM 730 C ARG A 53 6.465 -3.266 -14.717 1.00 0.00 C ATOM 731 O ARG A 53 7.415 -3.667 -14.044 1.00 0.00 O ATOM 732 CB ARG A 53 6.893 -1.418 -16.348 1.00 0.00 C ATOM 733 CG ARG A 53 5.974 -1.690 -17.527 1.00 0.00 C ATOM 734 CD ARG A 53 6.171 -3.095 -18.075 1.00 0.00 C ATOM 735 NE ARG A 53 7.193 -3.137 -19.118 1.00 0.00 N ATOM 736 CZ ARG A 53 7.089 -2.493 -20.275 1.00 0.00 C ATOM 737 NH1 ARG A 53 6.015 -1.760 -20.536 1.00 0.00 N ATOM 738 NH2 ARG A 53 8.061 -2.581 -21.174 1.00 0.00 N ATOM 0 H ARG A 53 7.684 -1.399 -13.487 1.00 0.00 H new ATOM 0 HA ARG A 53 5.209 -1.564 -15.022 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.164 -0.362 -16.345 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.816 -1.983 -16.479 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.937 -1.561 -17.218 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.165 -0.961 -18.314 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.454 -3.765 -17.263 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.227 -3.463 -18.477 1.00 0.00 H new ATOM 0 HE ARG A 53 8.032 -3.691 -18.948 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.266 -1.690 -19.847 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.938 -1.267 -21.425 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.889 -3.143 -20.977 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.980 -2.086 -22.062 1.00 0.00 H new ATOM 752 N ILE A 54 5.554 -4.080 -15.240 1.00 0.00 N ATOM 753 CA ILE A 54 5.621 -5.524 -15.049 1.00 0.00 C ATOM 754 C ILE A 54 5.664 -6.254 -16.387 1.00 0.00 C ATOM 755 O ILE A 54 4.723 -6.182 -17.177 1.00 0.00 O ATOM 756 CB ILE A 54 4.420 -6.039 -14.234 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.488 -5.517 -12.797 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.384 -7.560 -14.249 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.219 -5.751 -12.008 1.00 0.00 C ATOM 0 H ILE A 54 4.761 -3.765 -15.799 1.00 0.00 H new ATOM 0 HA ILE A 54 6.539 -5.728 -14.497 1.00 0.00 H new ATOM 0 HB ILE A 54 3.503 -5.668 -14.692 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.320 -5.999 -12.283 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.702 -4.448 -12.817 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.530 -7.909 -13.669 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.293 -7.912 -15.277 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.303 -7.950 -13.812 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.340 -5.356 -10.999 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.387 -5.246 -12.499 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.015 -6.820 -11.956 1.00 0.00 H new ATOM 771 N LYS A 55 6.763 -6.959 -16.634 1.00 0.00 N ATOM 772 CA LYS A 55 6.930 -7.706 -17.875 1.00 0.00 C ATOM 773 C LYS A 55 5.709 -8.577 -18.154 1.00 0.00 C ATOM 774 O LYS A 55 5.024 -9.014 -17.230 1.00 0.00 O ATOM 775 CB LYS A 55 8.186 -8.578 -17.804 1.00 0.00 C ATOM 776 CG LYS A 55 9.464 -7.832 -18.148 1.00 0.00 C ATOM 777 CD LYS A 55 10.662 -8.766 -18.185 1.00 0.00 C ATOM 778 CE LYS A 55 10.668 -9.614 -19.447 1.00 0.00 C ATOM 779 NZ LYS A 55 9.826 -10.834 -19.301 1.00 0.00 N ATOM 0 H LYS A 55 7.552 -7.029 -15.991 1.00 0.00 H new ATOM 0 HA LYS A 55 7.038 -6.990 -18.690 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.275 -8.991 -16.799 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.072 -9.421 -18.486 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.352 -7.344 -19.116 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.637 -7.046 -17.413 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.581 -8.183 -18.133 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.646 -9.415 -17.309 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.304 -9.020 -20.285 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.691 -9.905 -19.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.359 -11.665 -19.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.569 -10.961 -18.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.962 -10.730 -19.870 1.00 0.00 H new ATOM 793 N GLU A 56 5.444 -8.824 -19.433 1.00 0.00 N ATOM 794 CA GLU A 56 4.306 -9.644 -19.832 1.00 0.00 C ATOM 795 C GLU A 56 4.576 -11.121 -19.559 1.00 0.00 C ATOM 796 O GLU A 56 3.702 -11.846 -19.087 1.00 0.00 O ATOM 797 CB GLU A 56 3.995 -9.436 -21.316 1.00 0.00 C ATOM 798 CG GLU A 56 5.148 -9.800 -22.236 1.00 0.00 C ATOM 799 CD GLU A 56 5.082 -9.079 -23.568 1.00 0.00 C ATOM 800 OE1 GLU A 56 4.125 -9.329 -24.331 1.00 0.00 O ATOM 801 OE2 GLU A 56 5.987 -8.265 -23.847 1.00 0.00 O ATOM 0 H GLU A 56 6.001 -8.468 -20.210 1.00 0.00 H new ATOM 0 HA GLU A 56 3.444 -9.336 -19.241 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.125 -10.035 -21.584 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.726 -8.392 -21.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.090 -9.560 -21.744 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.144 -10.876 -22.409 1.00 0.00 H new ATOM 808 N ASN A 57 5.794 -11.559 -19.861 1.00 0.00 N ATOM 809 CA ASN A 57 6.181 -12.949 -19.650 1.00 0.00 C ATOM 810 C ASN A 57 7.196 -13.065 -18.518 1.00 0.00 C ATOM 811 O ASN A 57 8.112 -13.885 -18.573 1.00 0.00 O ATOM 812 CB ASN A 57 6.764 -13.539 -20.936 1.00 0.00 C ATOM 813 CG ASN A 57 5.726 -13.673 -22.033 1.00 0.00 C ATOM 814 OD1 ASN A 57 5.879 -13.114 -23.120 1.00 0.00 O ATOM 815 ND2 ASN A 57 4.662 -14.416 -21.753 1.00 0.00 N ATOM 0 H ASN A 57 6.530 -10.971 -20.253 1.00 0.00 H new ATOM 0 HA ASN A 57 5.289 -13.510 -19.373 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.579 -12.906 -21.286 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.191 -14.519 -20.722 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.930 -14.542 -22.452 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.577 -14.861 -20.839 1.00 0.00 H new ATOM 822 N GLY A 58 7.026 -12.239 -17.490 1.00 0.00 N ATOM 823 CA GLY A 58 7.935 -12.265 -16.359 1.00 0.00 C ATOM 824 C GLY A 58 7.347 -12.982 -15.159 1.00 0.00 C ATOM 825 O GLY A 58 6.215 -13.463 -15.209 1.00 0.00 O ATOM 0 H GLY A 58 6.275 -11.552 -17.420 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.862 -12.756 -16.653 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.191 -11.243 -16.079 1.00 0.00 H new ATOM 829 N ALA A 59 8.118 -13.056 -14.080 1.00 0.00 N ATOM 830 CA ALA A 59 7.666 -13.719 -12.863 1.00 0.00 C ATOM 831 C ALA A 59 6.421 -13.044 -12.299 1.00 0.00 C ATOM 832 O ALA A 59 5.458 -13.711 -11.920 1.00 0.00 O ATOM 833 CB ALA A 59 8.778 -13.731 -11.824 1.00 0.00 C ATOM 0 H ALA A 59 9.058 -12.665 -14.023 1.00 0.00 H new ATOM 0 HA ALA A 59 7.407 -14.747 -13.115 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.426 -14.229 -10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.641 -14.266 -12.221 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.064 -12.707 -11.586 1.00 0.00 H new ATOM 839 N ALA A 60 6.446 -11.716 -12.245 1.00 0.00 N ATOM 840 CA ALA A 60 5.318 -10.950 -11.729 1.00 0.00 C ATOM 841 C ALA A 60 4.080 -11.145 -12.597 1.00 0.00 C ATOM 842 O ALA A 60 2.963 -11.241 -12.088 1.00 0.00 O ATOM 843 CB ALA A 60 5.678 -9.474 -11.642 1.00 0.00 C ATOM 0 H ALA A 60 7.236 -11.148 -12.552 1.00 0.00 H new ATOM 0 HA ALA A 60 5.089 -11.316 -10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.827 -8.914 -11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.530 -9.346 -10.974 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.936 -9.103 -12.634 1.00 0.00 H new ATOM 849 N ALA A 61 4.285 -11.201 -13.909 1.00 0.00 N ATOM 850 CA ALA A 61 3.184 -11.385 -14.847 1.00 0.00 C ATOM 851 C ALA A 61 2.524 -12.746 -14.658 1.00 0.00 C ATOM 852 O ALA A 61 1.326 -12.833 -14.381 1.00 0.00 O ATOM 853 CB ALA A 61 3.679 -11.230 -16.277 1.00 0.00 C ATOM 0 H ALA A 61 5.203 -11.122 -14.346 1.00 0.00 H new ATOM 0 HA ALA A 61 2.436 -10.617 -14.648 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.847 -11.370 -16.967 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.098 -10.233 -16.411 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.447 -11.976 -16.479 1.00 0.00 H new ATOM 859 N LEU A 62 3.310 -13.806 -14.809 1.00 0.00 N ATOM 860 CA LEU A 62 2.800 -15.164 -14.655 1.00 0.00 C ATOM 861 C LEU A 62 1.965 -15.292 -13.386 1.00 0.00 C ATOM 862 O LEU A 62 0.788 -15.652 -13.439 1.00 0.00 O ATOM 863 CB LEU A 62 3.959 -16.163 -14.620 1.00 0.00 C ATOM 864 CG LEU A 62 4.723 -16.351 -15.931 1.00 0.00 C ATOM 865 CD1 LEU A 62 5.997 -17.148 -15.696 1.00 0.00 C ATOM 866 CD2 LEU A 62 3.845 -17.039 -16.966 1.00 0.00 C ATOM 0 H LEU A 62 4.303 -13.752 -15.038 1.00 0.00 H new ATOM 0 HA LEU A 62 2.162 -15.386 -15.511 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.665 -15.843 -13.854 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.568 -17.132 -14.308 1.00 0.00 H new ATOM 0 HG LEU A 62 4.998 -15.368 -16.313 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.528 -17.272 -16.640 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.634 -16.616 -14.989 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.744 -18.128 -15.291 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.405 -17.165 -17.893 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.539 -18.016 -16.592 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.961 -16.430 -17.156 1.00 0.00 H new ATOM 878 N ASP A 63 2.579 -14.993 -12.247 1.00 0.00 N ATOM 879 CA ASP A 63 1.890 -15.071 -10.964 1.00 0.00 C ATOM 880 C ASP A 63 0.625 -14.219 -10.973 1.00 0.00 C ATOM 881 O ASP A 63 -0.446 -14.676 -10.577 1.00 0.00 O ATOM 882 CB ASP A 63 2.817 -14.617 -9.835 1.00 0.00 C ATOM 883 CG ASP A 63 2.489 -15.283 -8.513 1.00 0.00 C ATOM 884 OD1 ASP A 63 2.018 -16.440 -8.532 1.00 0.00 O ATOM 885 OD2 ASP A 63 2.704 -14.648 -7.460 1.00 0.00 O ATOM 0 H ASP A 63 3.552 -14.694 -12.186 1.00 0.00 H new ATOM 0 HA ASP A 63 1.605 -16.110 -10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.849 -14.840 -10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.744 -13.535 -9.722 1.00 0.00 H new ATOM 890 N GLY A 64 0.757 -12.977 -11.428 1.00 0.00 N ATOM 891 CA GLY A 64 -0.383 -12.080 -11.479 1.00 0.00 C ATOM 892 C GLY A 64 -0.666 -11.426 -10.142 1.00 0.00 C ATOM 893 O GLY A 64 -1.098 -10.274 -10.086 1.00 0.00 O ATOM 0 H GLY A 64 1.633 -12.576 -11.762 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.201 -11.308 -12.226 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.264 -12.635 -11.802 1.00 0.00 H new ATOM 897 N ARG A 65 -0.425 -12.162 -9.062 1.00 0.00 N ATOM 898 CA ARG A 65 -0.661 -11.647 -7.718 1.00 0.00 C ATOM 899 C ARG A 65 -0.266 -10.176 -7.623 1.00 0.00 C ATOM 900 O ARG A 65 -1.040 -9.344 -7.149 1.00 0.00 O ATOM 901 CB ARG A 65 0.125 -12.465 -6.691 1.00 0.00 C ATOM 902 CG ARG A 65 -0.598 -12.632 -5.364 1.00 0.00 C ATOM 903 CD ARG A 65 0.233 -13.432 -4.374 1.00 0.00 C ATOM 904 NE ARG A 65 0.079 -14.872 -4.567 1.00 0.00 N ATOM 905 CZ ARG A 65 -0.886 -15.589 -4.001 1.00 0.00 C ATOM 906 NH1 ARG A 65 -1.776 -15.004 -3.212 1.00 0.00 N ATOM 907 NH2 ARG A 65 -0.961 -16.895 -4.224 1.00 0.00 N ATOM 0 H ARG A 65 -0.067 -13.117 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.726 -11.734 -7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.335 -13.450 -7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.086 -11.983 -6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.821 -11.651 -4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.552 -13.133 -5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.284 -13.162 -4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.061 -13.169 -3.358 1.00 0.00 H new ATOM 0 HE ARG A 65 0.748 -15.353 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.721 -14.000 -3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.515 -15.557 -2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.278 -17.349 -4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.702 -17.445 -3.789 1.00 0.00 H new ATOM 921 N LEU A 66 0.944 -9.863 -8.075 1.00 0.00 N ATOM 922 CA LEU A 66 1.442 -8.493 -8.040 1.00 0.00 C ATOM 923 C LEU A 66 0.842 -7.666 -9.173 1.00 0.00 C ATOM 924 O LEU A 66 0.436 -8.208 -10.201 1.00 0.00 O ATOM 925 CB LEU A 66 2.969 -8.482 -8.139 1.00 0.00 C ATOM 926 CG LEU A 66 3.647 -7.133 -7.899 1.00 0.00 C ATOM 927 CD1 LEU A 66 3.913 -6.927 -6.416 1.00 0.00 C ATOM 928 CD2 LEU A 66 4.942 -7.038 -8.693 1.00 0.00 C ATOM 0 H LEU A 66 1.598 -10.539 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 66 1.142 -8.048 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.365 -9.198 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.251 -8.837 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 66 2.976 -6.345 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.396 -5.962 -6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.970 -6.951 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.564 -7.720 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.411 -6.071 -8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.619 -7.834 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.725 -7.141 -9.756 1.00 0.00 H new ATOM 940 N GLN A 67 0.790 -6.353 -8.977 1.00 0.00 N ATOM 941 CA GLN A 67 0.241 -5.452 -9.983 1.00 0.00 C ATOM 942 C GLN A 67 0.959 -4.106 -9.959 1.00 0.00 C ATOM 943 O GLN A 67 1.423 -3.659 -8.911 1.00 0.00 O ATOM 944 CB GLN A 67 -1.257 -5.248 -9.751 1.00 0.00 C ATOM 945 CG GLN A 67 -1.581 -4.556 -8.437 1.00 0.00 C ATOM 946 CD GLN A 67 -3.061 -4.590 -8.109 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.740 -3.563 -8.145 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.570 -5.773 -7.787 1.00 0.00 N ATOM 0 H GLN A 67 1.121 -5.889 -8.131 1.00 0.00 H new ATOM 0 HA GLN A 67 0.392 -5.906 -10.962 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.666 -4.660 -10.572 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.755 -6.217 -9.774 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.023 -5.034 -7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.247 -3.520 -8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.971 -6.598 -7.770 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.560 -5.857 -7.557 1.00 0.00 H new ATOM 957 N GLU A 68 1.046 -3.467 -11.122 1.00 0.00 N ATOM 958 CA GLU A 68 1.709 -2.173 -11.233 1.00 0.00 C ATOM 959 C GLU A 68 1.173 -1.195 -10.192 1.00 0.00 C ATOM 960 O GLU A 68 0.000 -1.246 -9.823 1.00 0.00 O ATOM 961 CB GLU A 68 1.518 -1.597 -12.638 1.00 0.00 C ATOM 962 CG GLU A 68 2.564 -2.064 -13.636 1.00 0.00 C ATOM 963 CD GLU A 68 2.364 -1.465 -15.014 1.00 0.00 C ATOM 964 OE1 GLU A 68 1.471 -1.944 -15.745 1.00 0.00 O ATOM 965 OE2 GLU A 68 3.099 -0.517 -15.362 1.00 0.00 O ATOM 0 H GLU A 68 0.666 -3.824 -11.999 1.00 0.00 H new ATOM 0 HA GLU A 68 2.773 -2.322 -11.051 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.530 -1.875 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.543 -0.509 -12.582 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.555 -1.798 -13.269 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.532 -3.151 -13.708 1.00 0.00 H new ATOM 972 N GLY A 69 2.041 -0.305 -9.722 1.00 0.00 N ATOM 973 CA GLY A 69 1.637 0.672 -8.727 1.00 0.00 C ATOM 974 C GLY A 69 1.805 0.160 -7.311 1.00 0.00 C ATOM 975 O GLY A 69 1.694 0.923 -6.351 1.00 0.00 O ATOM 0 H GLY A 69 3.017 -0.243 -10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.226 1.580 -8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.594 0.943 -8.891 1.00 0.00 H new ATOM 979 N ASP A 70 2.073 -1.134 -7.179 1.00 0.00 N ATOM 980 CA ASP A 70 2.256 -1.747 -5.868 1.00 0.00 C ATOM 981 C ASP A 70 3.475 -1.164 -5.161 1.00 0.00 C ATOM 982 O ASP A 70 4.507 -0.911 -5.785 1.00 0.00 O ATOM 983 CB ASP A 70 2.408 -3.263 -6.007 1.00 0.00 C ATOM 984 CG ASP A 70 1.076 -3.985 -5.969 1.00 0.00 C ATOM 985 OD1 ASP A 70 0.068 -3.349 -5.597 1.00 0.00 O ATOM 986 OD2 ASP A 70 1.041 -5.185 -6.311 1.00 0.00 O ATOM 0 H ASP A 70 2.168 -1.779 -7.963 1.00 0.00 H new ATOM 0 HA ASP A 70 1.372 -1.532 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.914 -3.490 -6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.043 -3.637 -5.204 1.00 0.00 H new ATOM 991 N LYS A 71 3.350 -0.951 -3.856 1.00 0.00 N ATOM 992 CA LYS A 71 4.441 -0.397 -3.062 1.00 0.00 C ATOM 993 C LYS A 71 4.990 -1.438 -2.091 1.00 0.00 C ATOM 994 O LYS A 71 4.400 -1.690 -1.040 1.00 0.00 O ATOM 995 CB LYS A 71 3.964 0.835 -2.290 1.00 0.00 C ATOM 996 CG LYS A 71 5.078 1.564 -1.560 1.00 0.00 C ATOM 997 CD LYS A 71 5.304 0.990 -0.172 1.00 0.00 C ATOM 998 CE LYS A 71 5.949 2.010 0.755 1.00 0.00 C ATOM 999 NZ LYS A 71 5.050 3.168 1.015 1.00 0.00 N ATOM 0 H LYS A 71 2.503 -1.154 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 71 5.240 -0.104 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.484 1.525 -2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.207 0.530 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.999 1.494 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.831 2.623 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.352 0.666 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.939 0.107 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.207 1.531 1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.880 2.365 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.542 4.051 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.191 3.078 0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.788 3.185 2.021 1.00 0.00 H new ATOM 1013 N ILE A 72 6.121 -2.036 -2.448 1.00 0.00 N ATOM 1014 CA ILE A 72 6.749 -3.047 -1.607 1.00 0.00 C ATOM 1015 C ILE A 72 7.184 -2.456 -0.270 1.00 0.00 C ATOM 1016 O ILE A 72 8.272 -1.890 -0.154 1.00 0.00 O ATOM 1017 CB ILE A 72 7.972 -3.676 -2.300 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.592 -4.182 -3.692 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.537 -4.807 -1.454 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.733 -4.135 -4.685 1.00 0.00 C ATOM 0 H ILE A 72 6.622 -1.838 -3.314 1.00 0.00 H new ATOM 0 HA ILE A 72 6.002 -3.822 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 72 8.742 -2.912 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.233 -5.208 -3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.764 -3.584 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.401 -5.241 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.841 -4.418 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.775 -5.574 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.391 -4.509 -5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.077 -3.107 -4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.554 -4.756 -4.326 1.00 0.00 H new ATOM 1032 N LEU A 73 6.329 -2.591 0.737 1.00 0.00 N ATOM 1033 CA LEU A 73 6.625 -2.072 2.068 1.00 0.00 C ATOM 1034 C LEU A 73 7.877 -2.728 2.642 1.00 0.00 C ATOM 1035 O LEU A 73 8.828 -2.045 3.023 1.00 0.00 O ATOM 1036 CB LEU A 73 5.438 -2.307 3.004 1.00 0.00 C ATOM 1037 CG LEU A 73 4.065 -1.912 2.459 1.00 0.00 C ATOM 1038 CD1 LEU A 73 2.976 -2.767 3.086 1.00 0.00 C ATOM 1039 CD2 LEU A 73 3.797 -0.435 2.710 1.00 0.00 C ATOM 0 H LEU A 73 5.424 -3.056 0.658 1.00 0.00 H new ATOM 0 HA LEU A 73 6.805 -1.001 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.412 -3.365 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.613 -1.754 3.927 1.00 0.00 H new ATOM 0 HG LEU A 73 4.059 -2.084 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.006 -2.472 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.159 -3.816 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.981 -2.627 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.816 -0.171 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.823 -0.238 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.561 0.163 2.213 1.00 0.00 H new ATOM 1051 N SER A 74 7.871 -4.056 2.698 1.00 0.00 N ATOM 1052 CA SER A 74 9.006 -4.804 3.226 1.00 0.00 C ATOM 1053 C SER A 74 9.301 -6.026 2.362 1.00 0.00 C ATOM 1054 O SER A 74 8.455 -6.470 1.585 1.00 0.00 O ATOM 1055 CB SER A 74 8.731 -5.238 4.667 1.00 0.00 C ATOM 1056 OG SER A 74 7.941 -4.278 5.348 1.00 0.00 O ATOM 0 H SER A 74 7.093 -4.636 2.384 1.00 0.00 H new ATOM 0 HA SER A 74 9.879 -4.151 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.220 -6.201 4.669 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.675 -5.377 5.194 1.00 0.00 H new ATOM 0 HG SER A 74 7.778 -4.580 6.266 1.00 0.00 H new ATOM 1062 N VAL A 75 10.507 -6.566 2.504 1.00 0.00 N ATOM 1063 CA VAL A 75 10.915 -7.737 1.738 1.00 0.00 C ATOM 1064 C VAL A 75 11.319 -8.883 2.659 1.00 0.00 C ATOM 1065 O VAL A 75 12.392 -8.860 3.261 1.00 0.00 O ATOM 1066 CB VAL A 75 12.090 -7.411 0.797 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.492 -8.641 -0.003 1.00 0.00 C ATOM 1068 CG2 VAL A 75 11.728 -6.259 -0.128 1.00 0.00 C ATOM 0 H VAL A 75 11.219 -6.211 3.143 1.00 0.00 H new ATOM 0 HA VAL A 75 10.055 -8.040 1.141 1.00 0.00 H new ATOM 0 HB VAL A 75 12.943 -7.107 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.323 -8.391 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.796 -9.435 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.645 -8.980 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.570 -6.042 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.860 -6.533 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.495 -5.375 0.466 1.00 0.00 H new ATOM 1078 N ASN A 76 10.452 -9.885 2.763 1.00 0.00 N ATOM 1079 CA ASN A 76 10.718 -11.041 3.611 1.00 0.00 C ATOM 1080 C ASN A 76 10.832 -10.627 5.075 1.00 0.00 C ATOM 1081 O ASN A 76 11.546 -11.255 5.855 1.00 0.00 O ATOM 1082 CB ASN A 76 12.004 -11.741 3.166 1.00 0.00 C ATOM 1083 CG ASN A 76 11.777 -12.679 1.997 1.00 0.00 C ATOM 1084 OD1 ASN A 76 10.938 -13.578 2.062 1.00 0.00 O ATOM 1085 ND2 ASN A 76 12.526 -12.474 0.920 1.00 0.00 N ATOM 0 H ASN A 76 9.559 -9.920 2.271 1.00 0.00 H new ATOM 0 HA ASN A 76 9.882 -11.733 3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.745 -10.991 2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.417 -12.302 4.004 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.418 -13.074 0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.209 -11.717 0.910 1.00 0.00 H new ATOM 1092 N GLY A 77 10.121 -9.564 5.441 1.00 0.00 N ATOM 1093 CA GLY A 77 10.155 -9.084 6.810 1.00 0.00 C ATOM 1094 C GLY A 77 11.045 -7.869 6.976 1.00 0.00 C ATOM 1095 O GLY A 77 11.000 -7.196 8.005 1.00 0.00 O ATOM 0 H GLY A 77 9.522 -9.027 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.143 -8.836 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.509 -9.882 7.463 1.00 0.00 H new ATOM 1099 N GLN A 78 11.857 -7.589 5.962 1.00 0.00 N ATOM 1100 CA GLN A 78 12.763 -6.447 6.003 1.00 0.00 C ATOM 1101 C GLN A 78 12.049 -5.170 5.572 1.00 0.00 C ATOM 1102 O GLN A 78 11.690 -5.012 4.405 1.00 0.00 O ATOM 1103 CB GLN A 78 13.974 -6.698 5.102 1.00 0.00 C ATOM 1104 CG GLN A 78 14.977 -7.677 5.690 1.00 0.00 C ATOM 1105 CD GLN A 78 16.210 -7.841 4.822 1.00 0.00 C ATOM 1106 OE1 GLN A 78 16.759 -6.725 4.357 1.00 0.00 O flip ATOM 1107 NE2 GLN A 78 16.663 -8.958 4.573 1.00 0.00 N flip ATOM 0 H GLN A 78 11.906 -8.136 5.103 1.00 0.00 H new ATOM 0 HA GLN A 78 13.103 -6.321 7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.629 -7.078 4.141 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.475 -5.750 4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.277 -7.333 6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.498 -8.647 5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.208 -9.789 4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.493 -9.053 3.988 1.00 0.00 H new ATOM 1116 N ASP A 79 11.847 -4.262 6.520 1.00 0.00 N ATOM 1117 CA ASP A 79 11.177 -2.998 6.239 1.00 0.00 C ATOM 1118 C ASP A 79 12.063 -2.090 5.392 1.00 0.00 C ATOM 1119 O ASP A 79 13.139 -1.675 5.826 1.00 0.00 O ATOM 1120 CB ASP A 79 10.801 -2.294 7.543 1.00 0.00 C ATOM 1121 CG ASP A 79 10.389 -3.268 8.629 1.00 0.00 C ATOM 1122 OD1 ASP A 79 11.267 -3.994 9.141 1.00 0.00 O ATOM 1123 OD2 ASP A 79 9.188 -3.304 8.968 1.00 0.00 O ATOM 0 H ASP A 79 12.138 -4.378 7.491 1.00 0.00 H new ATOM 0 HA ASP A 79 10.268 -3.214 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.649 -1.704 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.984 -1.598 7.354 1.00 0.00 H new ATOM 1128 N LEU A 80 11.606 -1.785 4.183 1.00 0.00 N ATOM 1129 CA LEU A 80 12.358 -0.926 3.275 1.00 0.00 C ATOM 1130 C LEU A 80 12.113 0.546 3.590 1.00 0.00 C ATOM 1131 O LEU A 80 11.036 1.080 3.323 1.00 0.00 O ATOM 1132 CB LEU A 80 11.969 -1.220 1.825 1.00 0.00 C ATOM 1133 CG LEU A 80 11.947 -2.695 1.422 1.00 0.00 C ATOM 1134 CD1 LEU A 80 10.931 -2.930 0.315 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.331 -3.149 0.983 1.00 0.00 C ATOM 0 H LEU A 80 10.718 -2.120 3.808 1.00 0.00 H new ATOM 0 HA LEU A 80 13.419 -1.136 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.980 -0.799 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.664 -0.695 1.170 1.00 0.00 H new ATOM 0 HG LEU A 80 11.652 -3.285 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.929 -3.985 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.939 -2.644 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.196 -2.330 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.296 -4.201 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.655 -2.554 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.035 -3.018 1.805 1.00 0.00 H new ATOM 1147 N LYS A 81 13.121 1.200 4.159 1.00 0.00 N ATOM 1148 CA LYS A 81 13.019 2.611 4.508 1.00 0.00 C ATOM 1149 C LYS A 81 14.402 3.230 4.683 1.00 0.00 C ATOM 1150 O LYS A 81 15.362 2.540 5.022 1.00 0.00 O ATOM 1151 CB LYS A 81 12.205 2.783 5.793 1.00 0.00 C ATOM 1152 CG LYS A 81 12.646 1.864 6.919 1.00 0.00 C ATOM 1153 CD LYS A 81 11.950 2.208 8.225 1.00 0.00 C ATOM 1154 CE LYS A 81 10.645 1.443 8.379 1.00 0.00 C ATOM 1155 NZ LYS A 81 9.779 2.031 9.438 1.00 0.00 N ATOM 0 H LYS A 81 14.019 0.774 4.388 1.00 0.00 H new ATOM 0 HA LYS A 81 12.511 3.125 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.284 3.817 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.153 2.598 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.429 0.830 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.725 1.940 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.609 1.977 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.752 3.279 8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.109 1.444 7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.860 0.403 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.899 1.481 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.280 2.007 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.552 3.016 9.194 1.00 0.00 H new ATOM 1169 N ASN A 82 14.495 4.536 4.452 1.00 0.00 N ATOM 1170 CA ASN A 82 15.760 5.248 4.585 1.00 0.00 C ATOM 1171 C ASN A 82 16.875 4.520 3.839 1.00 0.00 C ATOM 1172 O ASN A 82 17.957 4.296 4.382 1.00 0.00 O ATOM 1173 CB ASN A 82 16.133 5.396 6.062 1.00 0.00 C ATOM 1174 CG ASN A 82 15.604 4.254 6.909 1.00 0.00 C ATOM 1175 OD1 ASN A 82 14.354 4.368 7.341 1.00 0.00 O flip ATOM 1176 ND2 ASN A 82 16.312 3.282 7.171 1.00 0.00 N flip ATOM 0 H ASN A 82 13.709 5.122 4.172 1.00 0.00 H new ATOM 0 HA ASN A 82 15.639 6.238 4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 82 17.218 5.443 6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.739 6.339 6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 82 17.268 3.237 6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.943 2.521 7.742 1.00 0.00 H new ATOM 1183 N LEU A 83 16.603 4.155 2.591 1.00 0.00 N ATOM 1184 CA LEU A 83 17.582 3.453 1.769 1.00 0.00 C ATOM 1185 C LEU A 83 17.605 4.015 0.351 1.00 0.00 C ATOM 1186 O LEU A 83 16.650 4.655 -0.091 1.00 0.00 O ATOM 1187 CB LEU A 83 17.268 1.957 1.731 1.00 0.00 C ATOM 1188 CG LEU A 83 15.802 1.584 1.506 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.306 2.143 0.182 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.623 0.074 1.550 1.00 0.00 C ATOM 0 H LEU A 83 15.713 4.334 2.126 1.00 0.00 H new ATOM 0 HA LEU A 83 18.566 3.600 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.864 1.501 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.595 1.514 2.672 1.00 0.00 H new ATOM 0 HG LEU A 83 15.208 2.024 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.261 1.867 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.397 3.229 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.904 1.734 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.574 -0.173 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.229 -0.387 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.938 -0.302 2.524 1.00 0.00 H new ATOM 1202 N LEU A 84 18.701 3.770 -0.359 1.00 0.00 N ATOM 1203 CA LEU A 84 18.848 4.250 -1.729 1.00 0.00 C ATOM 1204 C LEU A 84 18.338 3.214 -2.726 1.00 0.00 C ATOM 1205 O LEU A 84 18.013 2.086 -2.354 1.00 0.00 O ATOM 1206 CB LEU A 84 20.313 4.578 -2.021 1.00 0.00 C ATOM 1207 CG LEU A 84 20.983 5.567 -1.066 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.496 5.430 -1.131 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.560 6.992 -1.392 1.00 0.00 C ATOM 0 H LEU A 84 19.501 3.242 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 84 18.251 5.156 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.882 3.649 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.380 4.978 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 84 20.661 5.337 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.956 6.141 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.782 4.417 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.836 5.633 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.046 7.683 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.852 7.234 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.478 7.082 -1.293 1.00 0.00 H new ATOM 1221 N HIS A 85 18.273 3.604 -3.995 1.00 0.00 N ATOM 1222 CA HIS A 85 17.806 2.708 -5.047 1.00 0.00 C ATOM 1223 C HIS A 85 18.627 1.422 -5.070 1.00 0.00 C ATOM 1224 O HIS A 85 18.092 0.338 -5.300 1.00 0.00 O ATOM 1225 CB HIS A 85 17.883 3.401 -6.408 1.00 0.00 C ATOM 1226 CG HIS A 85 17.180 2.655 -7.501 1.00 0.00 C ATOM 1227 ND1 HIS A 85 15.822 2.744 -7.719 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.656 1.805 -8.440 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.492 1.980 -8.745 1.00 0.00 C ATOM 1230 NE2 HIS A 85 16.587 1.399 -9.201 1.00 0.00 N ATOM 0 H HIS A 85 18.538 4.534 -4.320 1.00 0.00 H new ATOM 0 HA HIS A 85 16.768 2.451 -4.837 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.451 4.398 -6.324 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.930 3.530 -6.682 1.00 0.00 H new ATOM 0 HD1 HIS A 85 15.173 3.311 -7.173 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.685 1.502 -8.567 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.496 1.852 -9.143 1.00 0.00 H new ATOM 1238 N GLN A 86 19.928 1.552 -4.831 1.00 0.00 N ATOM 1239 CA GLN A 86 20.822 0.400 -4.826 1.00 0.00 C ATOM 1240 C GLN A 86 20.525 -0.514 -3.642 1.00 0.00 C ATOM 1241 O GLN A 86 20.551 -1.738 -3.769 1.00 0.00 O ATOM 1242 CB GLN A 86 22.280 0.860 -4.777 1.00 0.00 C ATOM 1243 CG GLN A 86 23.276 -0.285 -4.694 1.00 0.00 C ATOM 1244 CD GLN A 86 23.579 -0.894 -6.049 1.00 0.00 C ATOM 1245 OE1 GLN A 86 22.610 -1.611 -6.606 1.00 0.00 O flip ATOM 1246 NE2 GLN A 86 24.673 -0.724 -6.589 1.00 0.00 N flip ATOM 0 H GLN A 86 20.386 2.443 -4.638 1.00 0.00 H new ATOM 0 HA GLN A 86 20.656 -0.161 -5.746 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.495 1.454 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.417 1.513 -3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 86 24.202 0.076 -4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.882 -1.057 -4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 86 25.389 -0.165 -6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 86 24.862 -1.142 -7.500 1.00 0.00 H new ATOM 1255 N ASP A 87 20.243 0.088 -2.492 1.00 0.00 N ATOM 1256 CA ASP A 87 19.940 -0.672 -1.285 1.00 0.00 C ATOM 1257 C ASP A 87 18.699 -1.536 -1.484 1.00 0.00 C ATOM 1258 O ASP A 87 18.631 -2.664 -0.998 1.00 0.00 O ATOM 1259 CB ASP A 87 19.736 0.272 -0.100 1.00 0.00 C ATOM 1260 CG ASP A 87 21.041 0.646 0.575 1.00 0.00 C ATOM 1261 OD1 ASP A 87 21.663 -0.241 1.196 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.440 1.827 0.483 1.00 0.00 O ATOM 0 H ASP A 87 20.218 1.100 -2.370 1.00 0.00 H new ATOM 0 HA ASP A 87 20.786 -1.327 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.235 1.177 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.077 -0.201 0.628 1.00 0.00 H new ATOM 1267 N ALA A 88 17.718 -0.996 -2.200 1.00 0.00 N ATOM 1268 CA ALA A 88 16.479 -1.718 -2.464 1.00 0.00 C ATOM 1269 C ALA A 88 16.696 -2.824 -3.490 1.00 0.00 C ATOM 1270 O ALA A 88 16.189 -3.936 -3.336 1.00 0.00 O ATOM 1271 CB ALA A 88 15.400 -0.757 -2.940 1.00 0.00 C ATOM 0 H ALA A 88 17.757 -0.062 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 88 16.152 -2.182 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.480 -1.309 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.217 -0.006 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.728 -0.266 -3.856 1.00 0.00 H new ATOM 1277 N VAL A 89 17.451 -2.513 -4.539 1.00 0.00 N ATOM 1278 CA VAL A 89 17.735 -3.481 -5.591 1.00 0.00 C ATOM 1279 C VAL A 89 18.517 -4.671 -5.046 1.00 0.00 C ATOM 1280 O VAL A 89 18.217 -5.822 -5.364 1.00 0.00 O ATOM 1281 CB VAL A 89 18.532 -2.841 -6.743 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.856 -3.877 -7.809 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.761 -1.673 -7.339 1.00 0.00 C ATOM 0 H VAL A 89 17.877 -1.597 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 89 16.774 -3.825 -5.972 1.00 0.00 H new ATOM 0 HB VAL A 89 19.472 -2.460 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.419 -3.406 -8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.451 -4.677 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.930 -4.291 -8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.339 -1.232 -8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.805 -2.027 -7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.586 -0.921 -6.569 1.00 0.00 H new ATOM 1293 N ASP A 90 19.520 -4.386 -4.223 1.00 0.00 N ATOM 1294 CA ASP A 90 20.345 -5.433 -3.632 1.00 0.00 C ATOM 1295 C ASP A 90 19.492 -6.406 -2.824 1.00 0.00 C ATOM 1296 O ASP A 90 19.476 -7.607 -3.096 1.00 0.00 O ATOM 1297 CB ASP A 90 21.424 -4.818 -2.738 1.00 0.00 C ATOM 1298 CG ASP A 90 22.692 -5.648 -2.707 1.00 0.00 C ATOM 1299 OD1 ASP A 90 22.597 -6.881 -2.876 1.00 0.00 O ATOM 1300 OD2 ASP A 90 23.779 -5.064 -2.512 1.00 0.00 O ATOM 0 H ASP A 90 19.781 -3.439 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 90 20.825 -5.984 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.658 -3.815 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 90 21.036 -4.714 -1.725 1.00 0.00 H new ATOM 1305 N LEU A 91 18.785 -5.881 -1.830 1.00 0.00 N ATOM 1306 CA LEU A 91 17.930 -6.703 -0.981 1.00 0.00 C ATOM 1307 C LEU A 91 17.136 -7.704 -1.815 1.00 0.00 C ATOM 1308 O LEU A 91 17.023 -8.876 -1.455 1.00 0.00 O ATOM 1309 CB LEU A 91 16.974 -5.819 -0.178 1.00 0.00 C ATOM 1310 CG LEU A 91 16.069 -6.543 0.820 1.00 0.00 C ATOM 1311 CD1 LEU A 91 16.861 -7.575 1.608 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.405 -5.546 1.759 1.00 0.00 C ATOM 0 H LEU A 91 18.787 -4.889 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 91 18.568 -7.257 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.564 -5.081 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.344 -5.270 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 91 15.289 -7.062 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.200 -8.080 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 91 17.288 -8.307 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.663 -7.079 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.765 -6.079 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 91 16.171 -4.998 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.803 -4.846 1.180 1.00 0.00 H new ATOM 1324 N PHE A 92 16.589 -7.234 -2.931 1.00 0.00 N ATOM 1325 CA PHE A 92 15.807 -8.088 -3.818 1.00 0.00 C ATOM 1326 C PHE A 92 16.619 -9.302 -4.259 1.00 0.00 C ATOM 1327 O PHE A 92 16.237 -10.444 -4.003 1.00 0.00 O ATOM 1328 CB PHE A 92 15.342 -7.297 -5.043 1.00 0.00 C ATOM 1329 CG PHE A 92 14.170 -6.400 -4.768 1.00 0.00 C ATOM 1330 CD1 PHE A 92 14.111 -5.652 -3.603 1.00 0.00 C ATOM 1331 CD2 PHE A 92 13.127 -6.303 -5.675 1.00 0.00 C ATOM 1332 CE1 PHE A 92 13.034 -4.825 -3.347 1.00 0.00 C ATOM 1333 CE2 PHE A 92 12.047 -5.477 -5.425 1.00 0.00 C ATOM 1334 CZ PHE A 92 12.000 -4.738 -4.259 1.00 0.00 C ATOM 0 H PHE A 92 16.673 -6.266 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 92 14.934 -8.438 -3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 92 16.172 -6.694 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.077 -7.995 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.917 -5.716 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 92 13.158 -6.879 -6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 92 13.001 -4.247 -2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.241 -5.410 -6.141 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.156 -4.093 -4.061 1.00 0.00 H new ATOM 1344 N ARG A 93 17.740 -9.046 -4.925 1.00 0.00 N ATOM 1345 CA ARG A 93 18.605 -10.117 -5.405 1.00 0.00 C ATOM 1346 C ARG A 93 18.980 -11.063 -4.268 1.00 0.00 C ATOM 1347 O ARG A 93 19.266 -12.238 -4.493 1.00 0.00 O ATOM 1348 CB ARG A 93 19.870 -9.535 -6.038 1.00 0.00 C ATOM 1349 CG ARG A 93 19.594 -8.618 -7.218 1.00 0.00 C ATOM 1350 CD ARG A 93 20.885 -8.141 -7.866 1.00 0.00 C ATOM 1351 NE ARG A 93 21.702 -9.254 -8.341 1.00 0.00 N ATOM 1352 CZ ARG A 93 21.488 -9.884 -9.491 1.00 0.00 C ATOM 1353 NH1 ARG A 93 20.488 -9.513 -10.278 1.00 0.00 N ATOM 1354 NH2 ARG A 93 22.276 -10.888 -9.855 1.00 0.00 N ATOM 0 H ARG A 93 18.071 -8.106 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 93 18.058 -10.682 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.424 -8.981 -5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.511 -10.353 -6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 93 18.988 -9.144 -7.956 1.00 0.00 H new ATOM 0 HG3 ARG A 93 19.014 -7.758 -6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.649 -7.482 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.456 -7.553 -7.147 1.00 0.00 H new ATOM 0 HE ARG A 93 22.479 -9.565 -7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 93 19.880 -8.742 -10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 93 20.326 -9.999 -11.160 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.046 -11.176 -9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 93 22.111 -11.371 -10.738 1.00 0.00 H new ATOM 1368 N ASN A 94 18.978 -10.540 -3.046 1.00 0.00 N ATOM 1369 CA ASN A 94 19.320 -11.338 -1.873 1.00 0.00 C ATOM 1370 C ASN A 94 18.156 -12.237 -1.469 1.00 0.00 C ATOM 1371 O ASN A 94 18.357 -13.362 -1.012 1.00 0.00 O ATOM 1372 CB ASN A 94 19.704 -10.427 -0.706 1.00 0.00 C ATOM 1373 CG ASN A 94 21.198 -10.175 -0.636 1.00 0.00 C ATOM 1374 OD1 ASN A 94 21.878 -10.654 0.271 1.00 0.00 O ATOM 1375 ND2 ASN A 94 21.716 -9.419 -1.598 1.00 0.00 N ATOM 0 H ASN A 94 18.744 -9.568 -2.842 1.00 0.00 H new ATOM 0 HA ASN A 94 20.171 -11.969 -2.129 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.182 -9.475 -0.805 1.00 0.00 H new ATOM 0 HB3 ASN A 94 19.370 -10.878 0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.715 -9.215 -1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 94 21.114 -9.043 -2.331 1.00 0.00 H new ATOM 1382 N ALA A 95 16.938 -11.733 -1.641 1.00 0.00 N ATOM 1383 CA ALA A 95 15.742 -12.491 -1.296 1.00 0.00 C ATOM 1384 C ALA A 95 15.917 -13.971 -1.621 1.00 0.00 C ATOM 1385 O ALA A 95 15.642 -14.836 -0.791 1.00 0.00 O ATOM 1386 CB ALA A 95 14.532 -11.928 -2.027 1.00 0.00 C ATOM 0 H ALA A 95 16.754 -10.803 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 95 15.580 -12.398 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.646 -12.503 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.387 -10.886 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.695 -11.991 -3.103 1.00 0.00 H new ATOM 1392 N GLY A 96 16.377 -14.255 -2.836 1.00 0.00 N ATOM 1393 CA GLY A 96 16.581 -15.631 -3.250 1.00 0.00 C ATOM 1394 C GLY A 96 15.365 -16.213 -3.943 1.00 0.00 C ATOM 1395 O GLY A 96 14.424 -15.491 -4.272 1.00 0.00 O ATOM 0 H GLY A 96 16.612 -13.556 -3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.438 -15.682 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.824 -16.238 -2.378 1.00 0.00 H new ATOM 1399 N TYR A 97 15.386 -17.522 -4.169 1.00 0.00 N ATOM 1400 CA TYR A 97 14.279 -18.201 -4.832 1.00 0.00 C ATOM 1401 C TYR A 97 12.938 -17.646 -4.360 1.00 0.00 C ATOM 1402 O TYR A 97 12.225 -16.988 -5.117 1.00 0.00 O ATOM 1403 CB TYR A 97 14.342 -19.706 -4.566 1.00 0.00 C ATOM 1404 CG TYR A 97 13.529 -20.528 -5.540 1.00 0.00 C ATOM 1405 CD1 TYR A 97 14.057 -20.912 -6.766 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.231 -20.919 -5.235 1.00 0.00 C ATOM 1407 CE1 TYR A 97 13.318 -21.663 -7.660 1.00 0.00 C ATOM 1408 CE2 TYR A 97 11.484 -21.671 -6.121 1.00 0.00 C ATOM 1409 CZ TYR A 97 12.032 -22.040 -7.332 1.00 0.00 C ATOM 1410 OH TYR A 97 11.291 -22.788 -8.219 1.00 0.00 O ATOM 0 H TYR A 97 16.157 -18.134 -3.903 1.00 0.00 H new ATOM 0 HA TYR A 97 14.368 -18.024 -5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.382 -20.031 -4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.988 -19.903 -3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.063 -20.618 -7.025 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.798 -20.630 -4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.744 -21.953 -8.609 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.477 -21.968 -5.867 1.00 0.00 H new ATOM 0 HH TYR A 97 10.408 -22.970 -7.835 1.00 0.00 H new ATOM 1420 N ALA A 98 12.602 -17.918 -3.103 1.00 0.00 N ATOM 1421 CA ALA A 98 11.350 -17.444 -2.528 1.00 0.00 C ATOM 1422 C ALA A 98 11.447 -15.974 -2.135 1.00 0.00 C ATOM 1423 O ALA A 98 12.090 -15.627 -1.144 1.00 0.00 O ATOM 1424 CB ALA A 98 10.969 -18.291 -1.322 1.00 0.00 C ATOM 0 H ALA A 98 13.180 -18.464 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 98 10.572 -17.539 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.032 -17.926 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.848 -19.329 -1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.754 -18.225 -0.569 1.00 0.00 H new ATOM 1430 N VAL A 99 10.805 -15.113 -2.918 1.00 0.00 N ATOM 1431 CA VAL A 99 10.820 -13.680 -2.651 1.00 0.00 C ATOM 1432 C VAL A 99 9.470 -13.205 -2.125 1.00 0.00 C ATOM 1433 O VAL A 99 8.471 -13.222 -2.844 1.00 0.00 O ATOM 1434 CB VAL A 99 11.176 -12.877 -3.917 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.297 -11.395 -3.593 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.461 -13.403 -4.537 1.00 0.00 C ATOM 0 H VAL A 99 10.268 -15.383 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 99 11.584 -13.507 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 99 10.373 -13.001 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.549 -10.844 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.349 -11.030 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.080 -11.248 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.697 -12.824 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.276 -13.311 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.332 -14.451 -4.807 1.00 0.00 H new ATOM 1446 N SER A 100 9.448 -12.782 -0.865 1.00 0.00 N ATOM 1447 CA SER A 100 8.219 -12.305 -0.240 1.00 0.00 C ATOM 1448 C SER A 100 8.186 -10.780 -0.202 1.00 0.00 C ATOM 1449 O SER A 100 8.846 -10.153 0.627 1.00 0.00 O ATOM 1450 CB SER A 100 8.093 -12.865 1.178 1.00 0.00 C ATOM 1451 OG SER A 100 8.186 -14.279 1.178 1.00 0.00 O ATOM 0 H SER A 100 10.267 -12.760 -0.257 1.00 0.00 H new ATOM 0 HA SER A 100 7.377 -12.655 -0.837 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.877 -12.446 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.140 -12.560 1.609 1.00 0.00 H new ATOM 0 HG SER A 100 9.087 -14.548 1.455 1.00 0.00 H new ATOM 1457 N LEU A 101 7.411 -10.189 -1.106 1.00 0.00 N ATOM 1458 CA LEU A 101 7.290 -8.737 -1.177 1.00 0.00 C ATOM 1459 C LEU A 101 5.947 -8.275 -0.622 1.00 0.00 C ATOM 1460 O LEU A 101 4.900 -8.511 -1.226 1.00 0.00 O ATOM 1461 CB LEU A 101 7.448 -8.263 -2.623 1.00 0.00 C ATOM 1462 CG LEU A 101 8.596 -8.891 -3.414 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.367 -8.726 -4.908 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.925 -8.275 -3.005 1.00 0.00 C ATOM 0 H LEU A 101 6.858 -10.693 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 101 8.083 -8.300 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.517 -8.462 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.587 -7.182 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 101 8.628 -9.957 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.194 -9.179 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.435 -9.215 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.308 -7.665 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.731 -8.734 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.905 -7.203 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.093 -8.446 -1.942 1.00 0.00 H new ATOM 1476 N ARG A 102 5.984 -7.614 0.530 1.00 0.00 N ATOM 1477 CA ARG A 102 4.769 -7.118 1.166 1.00 0.00 C ATOM 1478 C ARG A 102 4.374 -5.758 0.598 1.00 0.00 C ATOM 1479 O ARG A 102 4.962 -4.734 0.945 1.00 0.00 O ATOM 1480 CB ARG A 102 4.967 -7.012 2.680 1.00 0.00 C ATOM 1481 CG ARG A 102 3.666 -6.908 3.458 1.00 0.00 C ATOM 1482 CD ARG A 102 3.917 -6.843 4.957 1.00 0.00 C ATOM 1483 NE ARG A 102 2.673 -6.837 5.720 1.00 0.00 N ATOM 1484 CZ ARG A 102 2.621 -6.953 7.043 1.00 0.00 C ATOM 1485 NH1 ARG A 102 3.739 -7.084 7.744 1.00 0.00 N ATOM 1486 NH2 ARG A 102 1.450 -6.939 7.666 1.00 0.00 N ATOM 0 H ARG A 102 6.842 -7.409 1.042 1.00 0.00 H new ATOM 0 HA ARG A 102 3.966 -7.826 0.960 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.520 -7.885 3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.581 -6.138 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.121 -6.019 3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.035 -7.767 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.524 -7.696 5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.490 -5.945 5.190 1.00 0.00 H new ATOM 0 HE ARG A 102 1.795 -6.738 5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.641 -7.096 7.268 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.697 -7.173 8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.588 -6.839 7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.411 -7.028 8.681 1.00 0.00 H new ATOM 1500 N VAL A 103 3.376 -5.757 -0.280 1.00 0.00 N ATOM 1501 CA VAL A 103 2.902 -4.524 -0.897 1.00 0.00 C ATOM 1502 C VAL A 103 1.581 -4.074 -0.282 1.00 0.00 C ATOM 1503 O VAL A 103 0.862 -4.872 0.320 1.00 0.00 O ATOM 1504 CB VAL A 103 2.717 -4.692 -2.417 1.00 0.00 C ATOM 1505 CG1 VAL A 103 4.025 -5.111 -3.070 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.617 -5.700 -2.711 1.00 0.00 C ATOM 0 H VAL A 103 2.880 -6.596 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 103 3.663 -3.765 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 103 2.420 -3.732 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.876 -5.225 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.783 -4.349 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.355 -6.060 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.500 -5.806 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.882 -6.665 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.680 -5.353 -2.277 1.00 0.00 H new ATOM 1516 N GLN A 104 1.268 -2.792 -0.438 1.00 0.00 N ATOM 1517 CA GLN A 104 0.033 -2.236 0.103 1.00 0.00 C ATOM 1518 C GLN A 104 -0.890 -1.770 -1.018 1.00 0.00 C ATOM 1519 O GLN A 104 -0.479 -1.019 -1.903 1.00 0.00 O ATOM 1520 CB GLN A 104 0.342 -1.070 1.043 1.00 0.00 C ATOM 1521 CG GLN A 104 -0.869 -0.576 1.817 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.507 0.448 2.876 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -0.804 1.634 2.736 1.00 0.00 O ATOM 1524 NE2 GLN A 104 0.140 -0.007 3.943 1.00 0.00 N ATOM 0 H GLN A 104 1.852 -2.119 -0.934 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.474 -3.021 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.113 -1.378 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.753 -0.245 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.585 -0.137 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.363 -1.424 2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.366 -0.999 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.411 0.635 4.688 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.140 -2.221 -0.975 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.122 -1.849 -1.987 1.00 0.00 C ATOM 1535 C HIS A 105 -3.960 -0.662 -1.521 1.00 0.00 C ATOM 1536 O HIS A 105 -4.962 -0.831 -0.827 1.00 0.00 O ATOM 1537 CB HIS A 105 -4.032 -3.036 -2.305 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.285 -4.286 -2.656 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.496 -4.400 -3.781 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.208 -5.479 -2.022 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -1.968 -5.610 -3.825 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.384 -6.285 -2.768 1.00 0.00 N ATOM 0 H HIS A 105 -2.496 -2.844 -0.250 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.585 -1.560 -2.890 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.671 -3.234 -1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.687 -2.769 -3.134 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.703 -5.747 -1.100 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.308 -5.984 -4.594 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -2.134 -7.248 -2.543 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.541 0.539 -1.907 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.252 1.754 -1.527 1.00 0.00 C ATOM 1552 C ARG A 106 -5.385 2.049 -2.506 1.00 0.00 C ATOM 1553 O ARG A 106 -5.147 2.461 -3.642 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.286 2.940 -1.476 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.237 2.824 -0.383 1.00 0.00 C ATOM 1556 CD ARG A 106 -0.986 2.120 -0.884 1.00 0.00 C ATOM 1557 NE ARG A 106 0.172 2.389 -0.034 1.00 0.00 N ATOM 1558 CZ ARG A 106 0.800 3.559 0.001 1.00 0.00 C ATOM 1559 NH1 ARG A 106 0.386 4.562 -0.760 1.00 0.00 N ATOM 1560 NH2 ARG A 106 1.846 3.727 0.800 1.00 0.00 N ATOM 0 H ARG A 106 -2.713 0.697 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.681 1.600 -0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.786 3.032 -2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.857 3.856 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.976 3.818 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.651 2.275 0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.166 1.046 -0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.771 2.444 -1.902 1.00 0.00 H new ATOM 0 HE ARG A 106 0.516 1.638 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.418 4.437 -1.376 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.871 5.459 -0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.168 2.958 1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.328 4.625 0.827 1.00 0.00 H new ATOM 1574 N LEU A 107 -6.617 1.836 -2.057 1.00 0.00 N ATOM 1575 CA LEU A 107 -7.788 2.079 -2.892 1.00 0.00 C ATOM 1576 C LEU A 107 -8.704 3.120 -2.257 1.00 0.00 C ATOM 1577 O LEU A 107 -9.186 2.935 -1.140 1.00 0.00 O ATOM 1578 CB LEU A 107 -8.557 0.776 -3.118 1.00 0.00 C ATOM 1579 CG LEU A 107 -8.004 -0.151 -4.201 1.00 0.00 C ATOM 1580 CD1 LEU A 107 -7.789 0.612 -5.498 1.00 0.00 C ATOM 1581 CD2 LEU A 107 -6.706 -0.797 -3.738 1.00 0.00 C ATOM 0 H LEU A 107 -6.831 1.496 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.445 2.463 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.585 0.226 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.587 1.025 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.734 -0.940 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.395 -0.064 -6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.738 1.026 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.079 1.422 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.327 -1.453 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.969 -0.022 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.891 -1.379 -2.835 1.00 0.00 H new ATOM 1593 N GLN A 108 -8.940 4.211 -2.977 1.00 0.00 N ATOM 1594 CA GLN A 108 -9.800 5.280 -2.483 1.00 0.00 C ATOM 1595 C GLN A 108 -11.219 4.774 -2.250 1.00 0.00 C ATOM 1596 O GLN A 108 -11.793 4.091 -3.098 1.00 0.00 O ATOM 1597 CB GLN A 108 -9.818 6.447 -3.473 1.00 0.00 C ATOM 1598 CG GLN A 108 -8.501 7.201 -3.549 1.00 0.00 C ATOM 1599 CD GLN A 108 -8.486 8.240 -4.653 1.00 0.00 C ATOM 1600 OE1 GLN A 108 -9.411 8.317 -5.462 1.00 0.00 O ATOM 1601 NE2 GLN A 108 -7.432 9.048 -4.691 1.00 0.00 N ATOM 0 H GLN A 108 -8.548 4.378 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.397 5.626 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -10.068 6.068 -4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -10.609 7.141 -3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.311 7.689 -2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.690 6.492 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.688 8.949 -4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.367 9.768 -5.411 1.00 0.00 H new ATOM 1610 N VAL A 109 -11.781 5.113 -1.094 1.00 0.00 N ATOM 1611 CA VAL A 109 -13.134 4.693 -0.749 1.00 0.00 C ATOM 1612 C VAL A 109 -14.171 5.639 -1.343 1.00 0.00 C ATOM 1613 O VAL A 109 -13.833 6.712 -1.840 1.00 0.00 O ATOM 1614 CB VAL A 109 -13.329 4.627 0.778 1.00 0.00 C ATOM 1615 CG1 VAL A 109 -12.394 3.598 1.392 1.00 0.00 C ATOM 1616 CG2 VAL A 109 -13.111 5.998 1.401 1.00 0.00 C ATOM 0 H VAL A 109 -11.320 5.678 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.273 3.697 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 109 -14.354 4.318 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.546 3.566 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.603 2.617 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.361 3.873 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.252 5.934 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.098 6.338 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.827 6.706 0.983 1.00 0.00 H new ATOM 1626 N GLN A 110 -15.436 5.233 -1.287 1.00 0.00 N ATOM 1627 CA GLN A 110 -16.523 6.045 -1.820 1.00 0.00 C ATOM 1628 C GLN A 110 -17.311 6.706 -0.694 1.00 0.00 C ATOM 1629 O GLN A 110 -17.999 6.034 0.073 1.00 0.00 O ATOM 1630 CB GLN A 110 -17.456 5.187 -2.676 1.00 0.00 C ATOM 1631 CG GLN A 110 -16.949 4.965 -4.092 1.00 0.00 C ATOM 1632 CD GLN A 110 -18.014 4.397 -5.010 1.00 0.00 C ATOM 1633 OE1 GLN A 110 -18.832 3.575 -4.598 1.00 0.00 O ATOM 1634 NE2 GLN A 110 -18.009 4.834 -6.264 1.00 0.00 N ATOM 0 H GLN A 110 -15.733 4.347 -0.878 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.088 6.827 -2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -17.593 4.220 -2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -18.436 5.663 -2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.591 5.911 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.097 4.286 -4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.312 5.516 -6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -18.702 4.487 -6.928 1.00 0.00 H new ATOM 1643 N ASN A 111 -17.205 8.028 -0.602 1.00 0.00 N ATOM 1644 CA ASN A 111 -17.908 8.780 0.432 1.00 0.00 C ATOM 1645 C ASN A 111 -19.362 9.020 0.036 1.00 0.00 C ATOM 1646 O ASN A 111 -20.278 8.774 0.819 1.00 0.00 O ATOM 1647 CB ASN A 111 -17.208 10.117 0.683 1.00 0.00 C ATOM 1648 CG ASN A 111 -16.113 10.010 1.726 1.00 0.00 C ATOM 1649 OD1 ASN A 111 -15.196 9.198 1.598 1.00 0.00 O ATOM 1650 ND2 ASN A 111 -16.204 10.830 2.766 1.00 0.00 N ATOM 0 H ASN A 111 -16.640 8.600 -1.230 1.00 0.00 H new ATOM 0 HA ASN A 111 -17.893 8.192 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -16.781 10.482 -0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -17.943 10.854 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -15.496 10.803 3.500 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -16.981 11.487 2.831 1.00 0.00 H new ATOM 1657 N GLY A 112 -19.565 9.504 -1.186 1.00 0.00 N ATOM 1658 CA GLY A 112 -20.909 9.769 -1.665 1.00 0.00 C ATOM 1659 C GLY A 112 -21.689 10.673 -0.731 1.00 0.00 C ATOM 1660 O GLY A 112 -22.460 10.214 0.112 1.00 0.00 O ATOM 0 H GLY A 112 -18.823 9.717 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -20.856 10.230 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -21.442 8.826 -1.782 1.00 0.00 H new ATOM 1664 N PRO A 113 -21.491 11.992 -0.876 1.00 0.00 N ATOM 1665 CA PRO A 113 -22.172 12.990 -0.046 1.00 0.00 C ATOM 1666 C PRO A 113 -23.662 13.081 -0.355 1.00 0.00 C ATOM 1667 O PRO A 113 -24.386 13.865 0.259 1.00 0.00 O ATOM 1668 CB PRO A 113 -21.468 14.298 -0.416 1.00 0.00 C ATOM 1669 CG PRO A 113 -20.941 14.070 -1.791 1.00 0.00 C ATOM 1670 CD PRO A 113 -20.587 12.610 -1.860 1.00 0.00 C ATOM 0 HA PRO A 113 -22.116 12.745 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -22.160 15.140 -0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -20.664 14.526 0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -21.687 14.327 -2.543 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -20.068 14.693 -1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -20.744 12.205 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -19.541 12.438 -1.608 1.00 0.00 H new ATOM 1678 N ILE A 114 -24.114 12.275 -1.310 1.00 0.00 N ATOM 1679 CA ILE A 114 -25.519 12.264 -1.699 1.00 0.00 C ATOM 1680 C ILE A 114 -26.371 11.545 -0.659 1.00 0.00 C ATOM 1681 O ILE A 114 -25.976 10.507 -0.128 1.00 0.00 O ATOM 1682 CB ILE A 114 -25.719 11.588 -3.068 1.00 0.00 C ATOM 1683 CG1 ILE A 114 -24.920 12.322 -4.146 1.00 0.00 C ATOM 1684 CG2 ILE A 114 -27.197 11.551 -3.429 1.00 0.00 C ATOM 1685 CD1 ILE A 114 -25.337 13.765 -4.330 1.00 0.00 C ATOM 0 H ILE A 114 -23.528 11.621 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 114 -25.836 13.305 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 114 -25.354 10.563 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -23.861 12.288 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -25.035 11.795 -5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -27.323 11.070 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -27.743 10.988 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -27.586 12.568 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -24.728 14.223 -5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -26.387 13.806 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -25.196 14.307 -3.395 1.00 0.00 H new ATOM 1697 N SER A 115 -27.544 12.103 -0.374 1.00 0.00 N ATOM 1698 CA SER A 115 -28.452 11.515 0.603 1.00 0.00 C ATOM 1699 C SER A 115 -29.894 11.928 0.322 1.00 0.00 C ATOM 1700 O SER A 115 -30.200 13.113 0.199 1.00 0.00 O ATOM 1701 CB SER A 115 -28.056 11.940 2.019 1.00 0.00 C ATOM 1702 OG SER A 115 -27.915 13.347 2.109 1.00 0.00 O ATOM 0 H SER A 115 -27.887 12.961 -0.806 1.00 0.00 H new ATOM 0 HA SER A 115 -28.380 10.430 0.522 1.00 0.00 H new ATOM 0 HB2 SER A 115 -28.811 11.601 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 115 -27.118 11.459 2.298 1.00 0.00 H new ATOM 0 HG SER A 115 -28.604 13.780 1.563 1.00 0.00 H new ATOM 1708 N GLY A 116 -30.777 10.939 0.221 1.00 0.00 N ATOM 1709 CA GLY A 116 -32.176 11.218 -0.046 1.00 0.00 C ATOM 1710 C GLY A 116 -32.936 9.987 -0.499 1.00 0.00 C ATOM 1711 O GLY A 116 -32.530 8.853 -0.248 1.00 0.00 O ATOM 0 H GLY A 116 -30.548 9.950 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -32.642 11.618 0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -32.250 11.989 -0.813 1.00 0.00 H new ATOM 1715 N PRO A 117 -34.069 10.206 -1.184 1.00 0.00 N ATOM 1716 CA PRO A 117 -34.912 9.117 -1.687 1.00 0.00 C ATOM 1717 C PRO A 117 -34.252 8.354 -2.831 1.00 0.00 C ATOM 1718 O PRO A 117 -34.387 8.725 -3.997 1.00 0.00 O ATOM 1719 CB PRO A 117 -36.167 9.841 -2.182 1.00 0.00 C ATOM 1720 CG PRO A 117 -35.707 11.221 -2.504 1.00 0.00 C ATOM 1721 CD PRO A 117 -34.613 11.532 -1.521 1.00 0.00 C ATOM 0 HA PRO A 117 -35.109 8.367 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -36.587 9.349 -3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -36.945 9.851 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -35.340 11.281 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -36.525 11.936 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -33.852 12.179 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -34.999 12.044 -0.639 1.00 0.00 H new ATOM 1729 N SER A 118 -33.539 7.286 -2.489 1.00 0.00 N ATOM 1730 CA SER A 118 -32.855 6.472 -3.487 1.00 0.00 C ATOM 1731 C SER A 118 -33.844 5.925 -4.512 1.00 0.00 C ATOM 1732 O SER A 118 -35.038 5.805 -4.236 1.00 0.00 O ATOM 1733 CB SER A 118 -32.112 5.317 -2.812 1.00 0.00 C ATOM 1734 OG SER A 118 -33.017 4.340 -2.331 1.00 0.00 O ATOM 0 H SER A 118 -33.420 6.964 -1.528 1.00 0.00 H new ATOM 0 HA SER A 118 -32.134 7.105 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 118 -31.422 4.860 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 118 -31.512 5.700 -1.986 1.00 0.00 H new ATOM 0 HG SER A 118 -32.517 3.612 -1.906 1.00 0.00 H new ATOM 1740 N SER A 119 -33.338 5.595 -5.696 1.00 0.00 N ATOM 1741 CA SER A 119 -34.176 5.064 -6.764 1.00 0.00 C ATOM 1742 C SER A 119 -34.463 3.582 -6.544 1.00 0.00 C ATOM 1743 O SER A 119 -33.662 2.864 -5.947 1.00 0.00 O ATOM 1744 CB SER A 119 -33.499 5.268 -8.121 1.00 0.00 C ATOM 1745 OG SER A 119 -34.447 5.233 -9.174 1.00 0.00 O ATOM 0 H SER A 119 -32.352 5.686 -5.940 1.00 0.00 H new ATOM 0 HA SER A 119 -35.122 5.605 -6.753 1.00 0.00 H new ATOM 0 HB2 SER A 119 -32.976 6.224 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 119 -32.749 4.493 -8.277 1.00 0.00 H new ATOM 0 HG SER A 119 -33.990 5.367 -10.030 1.00 0.00 H new ATOM 1751 N GLY A 120 -35.615 3.129 -7.031 1.00 0.00 N ATOM 1752 CA GLY A 120 -35.989 1.736 -6.878 1.00 0.00 C ATOM 1753 C GLY A 120 -36.600 1.445 -5.521 1.00 0.00 C ATOM 1754 O GLY A 120 -35.972 1.678 -4.488 1.00 0.00 O ATOM 0 H GLY A 120 -36.296 3.703 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -36.700 1.466 -7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -35.108 1.109 -7.019 1.00 0.00 H new TER 1758 GLY A 120