USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1037 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 130 HIS : no HE2:sc= 1.02 K(o=2,f=-2.7) USER MOD Set 1.2: A 134 HIS : no HD1:sc= 0.966 K(o=2,f=-6.7!) USER MOD Set 2.1: A 121 GLN : amide:sc= 0.825 K(o=1.4,f=-0.17) USER MOD Set 2.2: A 125 ASN : amide:sc= 0.605 K(o=1.4,f=-1.5) USER MOD Set 3.1: A 4 THR OG1 : rot -77:sc= 0.65 USER MOD Set 3.2: A 104 SER OG : rot 180:sc= 0.583 USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0.514 USER MOD Set 4.2: A 100 THR OG1 : rot -74:sc= 0.561 USER MOD Set 5.1: A 30 ASN : amide:sc= 0.385 K(o=0.19,f=-6.4!) USER MOD Set 5.2: A 37 HIS : no HD1:sc= 0.0106 K(o=0.19,f=-5.6!) USER MOD Set 5.3: A 39 THR OG1 : rot -150:sc= -0.209 USER MOD Set 6.1: A 20 TYR OH : rot -142:sc= -0.266 USER MOD Set 6.2: A 81 TYR OH : rot 30:sc= 0.464 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0366 (180deg=-0.346) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00614 (180deg=-0.181) USER MOD Single : A 2 ASN : amide:sc=-0.00913 X(o=-0.0091,f=0) USER MOD Single : A 7 THR OG1 : rot -130:sc= -0.0285 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 61:sc= 1.23 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 33 SER OG : rot 170:sc= 0.96 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 36:sc= 0.372 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -75:sc= 1.04 USER MOD Single : A 62 MET CE :methyl -140:sc= 0 (180deg=-0.183) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 110:sc= 0 USER MOD Single : A 71 THR OG1 : rot 160:sc= 0.254 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0689 X(o=-0.069,f=-0.23) USER MOD Single : A 116 GLN : amide:sc= -0.0664 X(o=-0.066,f=-0.31) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 126 ASN : amide:sc= 0.879 K(o=0.88,f=-1.2!) USER MOD Single : A 128 LYS NZ :NH3+ -172:sc= 1.01 (180deg=0.977) USER MOD Single : A 133 SER OG : rot -50:sc= 1.1 USER MOD Single : A 137 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.49) USER MOD Single : A 138 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.793 12.038 13.916 1.00 0.00 N ATOM 2 CA MET A 1 -0.182 12.635 12.734 1.00 0.00 C ATOM 3 C MET A 1 -0.565 11.862 11.475 1.00 0.00 C ATOM 4 O MET A 1 -0.253 10.679 11.345 1.00 0.00 O ATOM 5 CB MET A 1 1.336 12.681 12.888 1.00 0.00 C ATOM 6 CG MET A 1 1.827 13.564 14.028 1.00 0.00 C ATOM 7 SD MET A 1 1.411 15.303 13.789 1.00 0.00 S ATOM 8 CE MET A 1 2.476 15.719 12.411 1.00 0.00 C ATOM 0 H1 MET A 1 -0.691 12.685 14.724 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.803 11.866 13.735 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.322 11.137 14.133 1.00 0.00 H new ATOM 0 HA MET A 1 -0.555 13.654 12.635 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.704 11.667 13.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.773 13.037 11.955 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.392 13.216 14.965 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.908 13.463 14.121 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.553 16.803 12.325 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.467 15.297 12.577 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.057 15.311 11.491 1.00 0.00 H new ATOM 20 N ASN A 2 -1.243 12.537 10.554 1.00 0.00 N ATOM 21 CA ASN A 2 -1.617 11.931 9.282 1.00 0.00 C ATOM 22 C ASN A 2 -0.587 12.252 8.203 1.00 0.00 C ATOM 23 O ASN A 2 -0.201 13.406 8.023 1.00 0.00 O ATOM 24 CB ASN A 2 -2.999 12.372 8.839 1.00 0.00 C ATOM 25 CG ASN A 2 -4.104 11.902 9.744 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.343 10.698 9.892 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.829 12.846 10.287 1.00 0.00 N ATOM 0 H ASN A 2 -1.545 13.505 10.665 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.641 10.852 9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.023 13.460 8.786 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.184 11.999 7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.634 12.603 10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.589 13.825 10.134 1.00 0.00 H new ATOM 34 N ILE A 3 -0.148 11.222 7.487 1.00 0.00 N ATOM 35 CA ILE A 3 0.793 11.401 6.388 1.00 0.00 C ATOM 36 C ILE A 3 0.114 11.177 5.042 1.00 0.00 C ATOM 37 O ILE A 3 -0.567 10.172 4.835 1.00 0.00 O ATOM 38 CB ILE A 3 1.995 10.447 6.513 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.747 10.702 7.822 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.926 10.606 5.321 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.787 9.654 8.144 1.00 0.00 C ATOM 0 H ILE A 3 -0.429 10.255 7.648 1.00 0.00 H new ATOM 0 HA ILE A 3 1.152 12.429 6.444 1.00 0.00 H new ATOM 0 HB ILE A 3 1.624 9.422 6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.232 11.677 7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.028 10.750 8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.770 9.924 5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.385 10.376 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.291 11.632 5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.276 9.904 9.085 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.306 8.680 8.233 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.529 9.621 7.347 1.00 0.00 H new ATOM 53 N THR A 4 0.307 12.120 4.124 1.00 0.00 N ATOM 54 CA THR A 4 -0.243 12.001 2.779 1.00 0.00 C ATOM 55 C THR A 4 0.865 11.973 1.734 1.00 0.00 C ATOM 56 O THR A 4 1.767 12.811 1.747 1.00 0.00 O ATOM 57 CB THR A 4 -1.210 13.157 2.460 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.302 13.140 3.386 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.748 13.026 1.043 1.00 0.00 C ATOM 0 H THR A 4 0.840 12.974 4.288 1.00 0.00 H new ATOM 0 HA THR A 4 -0.794 11.061 2.745 1.00 0.00 H new ATOM 0 HB THR A 4 -0.668 14.099 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.931 12.431 3.137 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.429 13.851 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.919 13.052 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.281 12.081 0.942 1.00 0.00 H new ATOM 67 N VAL A 5 0.792 11.005 0.825 1.00 0.00 N ATOM 68 CA VAL A 5 1.787 10.870 -0.230 1.00 0.00 C ATOM 69 C VAL A 5 1.126 10.621 -1.581 1.00 0.00 C ATOM 70 O VAL A 5 -0.035 10.217 -1.650 1.00 0.00 O ATOM 71 CB VAL A 5 2.773 9.725 0.067 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.565 10.018 1.333 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.032 8.403 0.197 1.00 0.00 C ATOM 0 H VAL A 5 0.053 10.303 0.799 1.00 0.00 H new ATOM 0 HA VAL A 5 2.337 11.810 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 5 3.471 9.648 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.257 9.198 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.126 10.944 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.880 10.122 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.745 7.605 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.311 8.469 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.509 8.186 -0.734 1.00 0.00 H new ATOM 83 N GLU A 6 1.872 10.866 -2.654 1.00 0.00 N ATOM 84 CA GLU A 6 1.363 10.653 -4.004 1.00 0.00 C ATOM 85 C GLU A 6 2.435 10.039 -4.900 1.00 0.00 C ATOM 86 O GLU A 6 3.606 10.415 -4.834 1.00 0.00 O ATOM 87 CB GLU A 6 0.864 11.970 -4.604 1.00 0.00 C ATOM 88 CG GLU A 6 -0.348 12.563 -3.898 1.00 0.00 C ATOM 89 CD GLU A 6 -0.777 13.852 -4.542 1.00 0.00 C ATOM 90 OE1 GLU A 6 0.014 14.763 -4.590 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.856 13.891 -5.086 1.00 0.00 O ATOM 0 H GLU A 6 2.831 11.212 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 6 0.527 9.957 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.676 12.697 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.615 11.806 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.172 11.849 -3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.111 12.739 -2.849 1.00 0.00 H new ATOM 98 N THR A 7 2.025 9.092 -5.737 1.00 0.00 N ATOM 99 CA THR A 7 2.926 8.498 -6.717 1.00 0.00 C ATOM 100 C THR A 7 2.226 8.302 -8.057 1.00 0.00 C ATOM 101 O THR A 7 1.132 7.742 -8.122 1.00 0.00 O ATOM 102 CB THR A 7 3.477 7.144 -6.233 1.00 0.00 C ATOM 103 OG1 THR A 7 4.178 7.325 -4.996 1.00 0.00 O ATOM 104 CG2 THR A 7 4.422 6.553 -7.266 1.00 0.00 C ATOM 0 H THR A 7 1.076 8.720 -5.756 1.00 0.00 H new ATOM 0 HA THR A 7 3.757 9.192 -6.841 1.00 0.00 H new ATOM 0 HB THR A 7 2.641 6.460 -6.088 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.059 6.901 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.802 5.596 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.888 6.402 -8.204 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.256 7.236 -7.429 1.00 0.00 H new ATOM 112 N THR A 8 2.867 8.764 -9.128 1.00 0.00 N ATOM 113 CA THR A 8 2.298 8.656 -10.465 1.00 0.00 C ATOM 114 C THR A 8 3.023 7.596 -11.287 1.00 0.00 C ATOM 115 O THR A 8 4.235 7.671 -11.483 1.00 0.00 O ATOM 116 CB THR A 8 2.354 10.000 -11.214 1.00 0.00 C ATOM 117 OG1 THR A 8 1.577 10.977 -10.507 1.00 0.00 O ATOM 118 CG2 THR A 8 1.809 9.848 -12.625 1.00 0.00 C ATOM 0 H THR A 8 3.781 9.216 -9.094 1.00 0.00 H new ATOM 0 HA THR A 8 1.255 8.365 -10.340 1.00 0.00 H new ATOM 0 HB THR A 8 3.393 10.324 -11.271 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.615 11.832 -10.984 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.857 10.808 -13.139 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.406 9.116 -13.169 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.773 9.511 -12.581 1.00 0.00 H new ATOM 126 N VAL A 9 2.272 6.609 -11.765 1.00 0.00 N ATOM 127 CA VAL A 9 2.854 5.497 -12.507 1.00 0.00 C ATOM 128 C VAL A 9 2.222 5.368 -13.889 1.00 0.00 C ATOM 129 O VAL A 9 1.045 5.671 -14.075 1.00 0.00 O ATOM 130 CB VAL A 9 2.688 4.166 -11.751 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.415 4.217 -10.415 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.215 3.851 -11.541 1.00 0.00 C ATOM 0 H VAL A 9 1.260 6.557 -11.652 1.00 0.00 H new ATOM 0 HA VAL A 9 3.917 5.712 -12.615 1.00 0.00 H new ATOM 0 HB VAL A 9 3.128 3.372 -12.354 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.287 3.268 -9.895 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.476 4.397 -10.585 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.003 5.023 -9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.118 2.907 -11.005 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.752 4.648 -10.959 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.718 3.772 -12.508 1.00 0.00 H new ATOM 142 N ALA A 10 3.015 4.916 -14.855 1.00 0.00 N ATOM 143 CA ALA A 10 2.524 4.707 -16.211 1.00 0.00 C ATOM 144 C ALA A 10 1.881 3.333 -16.356 1.00 0.00 C ATOM 145 O ALA A 10 2.456 2.428 -16.960 1.00 0.00 O ATOM 146 CB ALA A 10 3.656 4.870 -17.214 1.00 0.00 C ATOM 0 H ALA A 10 4.000 4.688 -14.723 1.00 0.00 H new ATOM 0 HA ALA A 10 1.762 5.459 -16.414 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.274 4.711 -18.223 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.069 5.876 -17.137 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.437 4.140 -17.003 1.00 0.00 H new ATOM 152 N ALA A 11 0.684 3.183 -15.799 1.00 0.00 N ATOM 153 CA ALA A 11 -0.029 1.912 -15.850 1.00 0.00 C ATOM 154 C ALA A 11 -1.535 2.121 -15.731 1.00 0.00 C ATOM 155 O ALA A 11 -2.006 3.072 -15.107 1.00 0.00 O ATOM 156 CB ALA A 11 0.465 0.985 -14.748 1.00 0.00 C ATOM 0 H ALA A 11 0.187 3.926 -15.307 1.00 0.00 H new ATOM 0 HA ALA A 11 0.172 1.450 -16.817 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.076 0.040 -14.798 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.531 0.800 -14.879 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.294 1.450 -13.777 1.00 0.00 H new ATOM 162 N PRO A 12 -2.309 1.215 -16.345 1.00 0.00 N ATOM 163 CA PRO A 12 -3.774 1.283 -16.325 1.00 0.00 C ATOM 164 C PRO A 12 -4.344 1.087 -14.926 1.00 0.00 C ATOM 165 O PRO A 12 -3.762 0.387 -14.098 1.00 0.00 O ATOM 166 CB PRO A 12 -4.209 0.164 -17.278 1.00 0.00 C ATOM 167 CG PRO A 12 -3.055 -0.780 -17.293 1.00 0.00 C ATOM 168 CD PRO A 12 -1.830 0.086 -17.171 1.00 0.00 C ATOM 0 HA PRO A 12 -4.143 2.262 -16.631 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.118 -0.325 -16.928 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.419 0.551 -18.275 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.118 -1.491 -16.469 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.035 -1.362 -18.215 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.006 -0.444 -16.693 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.472 0.420 -18.145 1.00 0.00 H new ATOM 176 N VAL A 13 -5.489 1.712 -14.666 1.00 0.00 N ATOM 177 CA VAL A 13 -6.044 1.764 -13.318 1.00 0.00 C ATOM 178 C VAL A 13 -6.252 0.362 -12.756 1.00 0.00 C ATOM 179 O VAL A 13 -6.016 0.114 -11.575 1.00 0.00 O ATOM 180 CB VAL A 13 -7.383 2.525 -13.286 1.00 0.00 C ATOM 181 CG1 VAL A 13 -8.035 2.399 -11.917 1.00 0.00 C ATOM 182 CG2 VAL A 13 -7.173 3.989 -13.642 1.00 0.00 C ATOM 0 H VAL A 13 -6.050 2.189 -15.371 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.321 2.297 -12.700 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.048 2.082 -14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.980 2.943 -11.913 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.220 1.348 -11.698 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.373 2.817 -11.159 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.129 4.511 -13.614 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.491 4.444 -12.924 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.748 4.063 -14.643 1.00 0.00 H new ATOM 192 N GLY A 14 -6.698 -0.554 -13.613 1.00 0.00 N ATOM 193 CA GLY A 14 -6.983 -1.906 -13.171 1.00 0.00 C ATOM 194 C GLY A 14 -5.754 -2.611 -12.636 1.00 0.00 C ATOM 195 O GLY A 14 -5.803 -3.244 -11.580 1.00 0.00 O ATOM 0 H GLY A 14 -6.866 -0.383 -14.604 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.748 -1.878 -12.396 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.393 -2.478 -14.003 1.00 0.00 H new ATOM 199 N LYS A 15 -4.648 -2.507 -13.365 1.00 0.00 N ATOM 200 CA LYS A 15 -3.399 -3.135 -12.955 1.00 0.00 C ATOM 201 C LYS A 15 -2.827 -2.450 -11.717 1.00 0.00 C ATOM 202 O LYS A 15 -2.286 -3.107 -10.827 1.00 0.00 O ATOM 203 CB LYS A 15 -2.380 -3.101 -14.096 1.00 0.00 C ATOM 204 CG LYS A 15 -2.706 -4.033 -15.256 1.00 0.00 C ATOM 205 CD LYS A 15 -1.608 -4.006 -16.310 1.00 0.00 C ATOM 206 CE LYS A 15 -1.952 -4.904 -17.490 1.00 0.00 C ATOM 207 NZ LYS A 15 -0.893 -4.878 -18.535 1.00 0.00 N ATOM 0 H LYS A 15 -4.592 -1.993 -14.244 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.610 -4.175 -12.706 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.309 -2.081 -14.474 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.399 -3.363 -13.699 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.832 -5.050 -14.884 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.654 -3.739 -15.707 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.461 -2.984 -16.659 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.667 -4.330 -15.866 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.091 -5.927 -17.139 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.899 -4.585 -17.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.165 -5.502 -19.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.778 -3.907 -18.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.005 -5.207 -18.127 1.00 0.00 H new ATOM 221 N VAL A 16 -2.950 -1.127 -11.667 1.00 0.00 N ATOM 222 CA VAL A 16 -2.448 -0.355 -10.538 1.00 0.00 C ATOM 223 C VAL A 16 -3.177 -0.724 -9.251 1.00 0.00 C ATOM 224 O VAL A 16 -2.551 -0.963 -8.218 1.00 0.00 O ATOM 225 CB VAL A 16 -2.589 1.160 -10.782 1.00 0.00 C ATOM 226 CG1 VAL A 16 -2.318 1.933 -9.500 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.646 1.612 -11.886 1.00 0.00 C ATOM 0 H VAL A 16 -3.393 -0.568 -12.396 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.391 -0.599 -10.435 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.612 1.364 -11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.422 3.001 -9.690 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.032 1.630 -8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.306 1.723 -9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.759 2.684 -12.045 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.618 1.394 -11.598 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.884 1.082 -12.808 1.00 0.00 H new ATOM 237 N TRP A 17 -4.502 -0.769 -9.321 1.00 0.00 N ATOM 238 CA TRP A 17 -5.317 -1.100 -8.158 1.00 0.00 C ATOM 239 C TRP A 17 -5.084 -2.541 -7.721 1.00 0.00 C ATOM 240 O TRP A 17 -4.924 -2.821 -6.533 1.00 0.00 O ATOM 241 CB TRP A 17 -6.800 -0.875 -8.462 1.00 0.00 C ATOM 242 CG TRP A 17 -7.694 -1.097 -7.280 1.00 0.00 C ATOM 243 CD1 TRP A 17 -8.047 -0.175 -6.341 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.347 -2.317 -6.911 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.880 -0.743 -5.408 1.00 0.00 N ATOM 246 CE2 TRP A 17 -9.079 -2.060 -5.738 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.383 -3.605 -7.460 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.835 -3.034 -5.105 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -9.141 -4.581 -6.826 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.848 -4.304 -5.683 1.00 0.00 C ATOM 0 H TRP A 17 -5.035 -0.581 -10.170 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.021 -0.442 -7.341 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.938 0.143 -8.825 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.103 -1.544 -9.267 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -7.719 0.854 -6.332 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.284 -0.265 -4.603 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.832 -3.835 -8.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.390 -2.819 -4.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -9.175 -5.578 -7.241 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.429 -5.088 -5.220 1.00 0.00 H new ATOM 261 N ARG A 18 -5.065 -3.453 -8.688 1.00 0.00 N ATOM 262 CA ARG A 18 -4.910 -4.872 -8.397 1.00 0.00 C ATOM 263 C ARG A 18 -3.529 -5.159 -7.815 1.00 0.00 C ATOM 264 O ARG A 18 -3.390 -5.952 -6.884 1.00 0.00 O ATOM 265 CB ARG A 18 -5.197 -5.742 -9.612 1.00 0.00 C ATOM 266 CG ARG A 18 -6.669 -5.869 -9.975 1.00 0.00 C ATOM 267 CD ARG A 18 -6.937 -6.730 -11.155 1.00 0.00 C ATOM 268 NE ARG A 18 -8.347 -6.910 -11.461 1.00 0.00 N ATOM 269 CZ ARG A 18 -8.819 -7.634 -12.495 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.001 -8.214 -13.345 1.00 0.00 N ATOM 271 NH2 ARG A 18 -10.129 -7.725 -12.647 1.00 0.00 N ATOM 0 H ARG A 18 -5.155 -3.233 -9.680 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.654 -5.133 -7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.660 -5.333 -10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.795 -6.739 -9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.209 -6.270 -9.117 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.071 -4.874 -10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.442 -6.298 -12.024 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.487 -7.708 -10.985 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.027 -6.457 -10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.992 -8.120 -13.227 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.375 -8.758 -14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.752 -7.254 -11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.516 -8.266 -13.420 1.00 0.00 H new ATOM 285 N ALA A 19 -2.511 -4.510 -8.371 1.00 0.00 N ATOM 286 CA ALA A 19 -1.143 -4.685 -7.897 1.00 0.00 C ATOM 287 C ALA A 19 -0.966 -4.092 -6.503 1.00 0.00 C ATOM 288 O ALA A 19 -0.201 -4.612 -5.690 1.00 0.00 O ATOM 289 CB ALA A 19 -0.163 -4.050 -8.871 1.00 0.00 C ATOM 0 H ALA A 19 -2.608 -3.858 -9.150 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.938 -5.754 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.854 -4.188 -8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.264 -4.522 -9.848 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.376 -2.985 -8.959 1.00 0.00 H new ATOM 295 N TYR A 20 -1.678 -3.003 -6.232 1.00 0.00 N ATOM 296 CA TYR A 20 -1.553 -2.306 -4.958 1.00 0.00 C ATOM 297 C TYR A 20 -1.983 -3.203 -3.802 1.00 0.00 C ATOM 298 O TYR A 20 -1.569 -3.006 -2.659 1.00 0.00 O ATOM 299 CB TYR A 20 -2.385 -1.021 -4.967 1.00 0.00 C ATOM 300 CG TYR A 20 -2.277 -0.212 -3.694 1.00 0.00 C ATOM 301 CD1 TYR A 20 -1.124 0.502 -3.399 1.00 0.00 C ATOM 302 CD2 TYR A 20 -3.328 -0.163 -2.790 1.00 0.00 C ATOM 303 CE1 TYR A 20 -1.020 1.242 -2.238 1.00 0.00 C ATOM 304 CE2 TYR A 20 -3.234 0.574 -1.626 1.00 0.00 C ATOM 305 CZ TYR A 20 -2.078 1.276 -1.352 1.00 0.00 C ATOM 306 OH TYR A 20 -1.980 2.013 -0.195 1.00 0.00 O ATOM 0 H TYR A 20 -2.347 -2.584 -6.878 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.504 -2.045 -4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.070 -0.402 -5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.431 -1.278 -5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.294 0.478 -4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.235 -0.710 -3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.115 1.792 -2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.062 0.601 -0.933 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.416 1.531 0.538 1.00 0.00 H new ATOM 316 N THR A 21 -2.816 -4.193 -4.107 1.00 0.00 N ATOM 317 CA THR A 21 -3.349 -5.087 -3.087 1.00 0.00 C ATOM 318 C THR A 21 -3.125 -6.546 -3.463 1.00 0.00 C ATOM 319 O THR A 21 -3.915 -7.420 -3.101 1.00 0.00 O ATOM 320 CB THR A 21 -4.855 -4.851 -2.859 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.562 -5.044 -4.090 1.00 0.00 O ATOM 322 CG2 THR A 21 -5.102 -3.438 -2.352 1.00 0.00 C ATOM 0 H THR A 21 -3.136 -4.396 -5.054 1.00 0.00 H new ATOM 0 HA THR A 21 -2.813 -4.866 -2.164 1.00 0.00 H new ATOM 0 HB THR A 21 -5.211 -5.561 -2.112 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.520 -4.895 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.170 -3.289 -2.197 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.574 -3.292 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.738 -2.719 -3.086 1.00 0.00 H new ATOM 330 N THR A 22 -2.043 -6.807 -4.188 1.00 0.00 N ATOM 331 CA THR A 22 -1.555 -8.167 -4.375 1.00 0.00 C ATOM 332 C THR A 22 -0.458 -8.501 -3.372 1.00 0.00 C ATOM 333 O THR A 22 0.556 -7.809 -3.270 1.00 0.00 O ATOM 334 CB THR A 22 -1.018 -8.384 -5.801 1.00 0.00 C ATOM 335 OG1 THR A 22 -2.074 -8.179 -6.749 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.470 -9.794 -5.956 1.00 0.00 C ATOM 0 H THR A 22 -1.486 -6.092 -4.657 1.00 0.00 H new ATOM 0 HA THR A 22 -2.405 -8.830 -4.213 1.00 0.00 H new ATOM 0 HB THR A 22 -0.214 -7.671 -5.982 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.411 -7.262 -6.670 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.095 -9.929 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.342 -9.949 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.264 -10.516 -5.764 1.00 0.00 H new ATOM 344 N PRO A 23 -0.659 -9.588 -2.612 1.00 0.00 N ATOM 345 CA PRO A 23 0.261 -9.990 -1.544 1.00 0.00 C ATOM 346 C PRO A 23 1.640 -10.362 -2.078 1.00 0.00 C ATOM 347 O PRO A 23 2.659 -10.060 -1.457 1.00 0.00 O ATOM 348 CB PRO A 23 -0.436 -11.184 -0.886 1.00 0.00 C ATOM 349 CG PRO A 23 -1.398 -11.667 -1.917 1.00 0.00 C ATOM 350 CD PRO A 23 -1.856 -10.431 -2.645 1.00 0.00 C ATOM 0 HA PRO A 23 0.454 -9.179 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.279 -11.961 -0.615 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.949 -10.889 0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.922 -12.371 -2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.239 -12.187 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.169 -10.653 -3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.702 -9.956 -2.148 1.00 0.00 H new ATOM 358 N GLU A 24 1.665 -11.019 -3.233 1.00 0.00 N ATOM 359 CA GLU A 24 2.921 -11.352 -3.896 1.00 0.00 C ATOM 360 C GLU A 24 3.698 -10.089 -4.253 1.00 0.00 C ATOM 361 O GLU A 24 4.926 -10.057 -4.165 1.00 0.00 O ATOM 362 CB GLU A 24 2.661 -12.186 -5.152 1.00 0.00 C ATOM 363 CG GLU A 24 2.172 -13.601 -4.877 1.00 0.00 C ATOM 364 CD GLU A 24 1.836 -14.320 -6.154 1.00 0.00 C ATOM 365 OE1 GLU A 24 1.915 -13.712 -7.195 1.00 0.00 O ATOM 366 OE2 GLU A 24 1.609 -15.506 -6.103 1.00 0.00 O ATOM 0 H GLU A 24 0.830 -11.331 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 24 3.522 -11.941 -3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.923 -11.673 -5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.581 -12.239 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.940 -14.155 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.292 -13.566 -4.235 1.00 0.00 H new ATOM 373 N ASP A 25 2.975 -9.050 -4.656 1.00 0.00 N ATOM 374 CA ASP A 25 3.589 -7.765 -4.967 1.00 0.00 C ATOM 375 C ASP A 25 4.026 -7.049 -3.693 1.00 0.00 C ATOM 376 O ASP A 25 5.089 -6.428 -3.651 1.00 0.00 O ATOM 377 CB ASP A 25 2.622 -6.884 -5.762 1.00 0.00 C ATOM 378 CG ASP A 25 2.422 -7.317 -7.208 1.00 0.00 C ATOM 379 OD1 ASP A 25 3.186 -8.129 -7.675 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.423 -6.955 -7.783 1.00 0.00 O ATOM 0 H ASP A 25 1.962 -9.073 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 25 4.472 -7.953 -5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.655 -6.881 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.990 -5.858 -5.750 1.00 0.00 H new ATOM 385 N ILE A 26 3.199 -7.139 -2.656 1.00 0.00 N ATOM 386 CA ILE A 26 3.506 -6.508 -1.379 1.00 0.00 C ATOM 387 C ILE A 26 4.803 -7.053 -0.792 1.00 0.00 C ATOM 388 O ILE A 26 5.608 -6.306 -0.236 1.00 0.00 O ATOM 389 CB ILE A 26 2.367 -6.710 -0.361 1.00 0.00 C ATOM 390 CG1 ILE A 26 1.133 -5.906 -0.775 1.00 0.00 C ATOM 391 CG2 ILE A 26 2.824 -6.312 1.033 1.00 0.00 C ATOM 392 CD1 ILE A 26 -0.119 -6.271 -0.010 1.00 0.00 C ATOM 0 H ILE A 26 2.312 -7.642 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 26 3.621 -5.442 -1.575 1.00 0.00 H new ATOM 0 HB ILE A 26 2.099 -7.766 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.338 -4.845 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.954 -6.056 -1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.008 -6.461 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.675 -6.927 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.118 -5.262 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.950 -5.659 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.350 -7.324 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.040 -6.094 1.054 1.00 0.00 H new ATOM 404 N LYS A 27 5.002 -8.360 -0.924 1.00 0.00 N ATOM 405 CA LYS A 27 6.218 -9.003 -0.440 1.00 0.00 C ATOM 406 C LYS A 27 7.451 -8.413 -1.118 1.00 0.00 C ATOM 407 O LYS A 27 8.527 -8.349 -0.522 1.00 0.00 O ATOM 408 CB LYS A 27 6.158 -10.513 -0.673 1.00 0.00 C ATOM 409 CG LYS A 27 7.406 -11.268 -0.236 1.00 0.00 C ATOM 410 CD LYS A 27 7.241 -12.768 -0.428 1.00 0.00 C ATOM 411 CE LYS A 27 8.490 -13.522 0.003 1.00 0.00 C ATOM 412 NZ LYS A 27 8.347 -14.991 -0.188 1.00 0.00 N ATOM 0 H LYS A 27 4.336 -8.996 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 27 6.293 -8.818 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.298 -10.917 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.989 -10.698 -1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.264 -10.918 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.614 -11.054 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.385 -13.118 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.028 -12.981 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.346 -13.163 -0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.697 -13.311 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.219 -15.467 0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.546 -15.338 0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.175 -15.195 -1.193 1.00 0.00 H new ATOM 426 N GLN A 28 7.286 -7.984 -2.365 1.00 0.00 N ATOM 427 CA GLN A 28 8.409 -7.500 -3.160 1.00 0.00 C ATOM 428 C GLN A 28 8.696 -6.033 -2.860 1.00 0.00 C ATOM 429 O GLN A 28 9.850 -5.605 -2.861 1.00 0.00 O ATOM 430 CB GLN A 28 8.127 -7.678 -4.655 1.00 0.00 C ATOM 431 CG GLN A 28 8.072 -9.127 -5.110 1.00 0.00 C ATOM 432 CD GLN A 28 7.702 -9.259 -6.574 1.00 0.00 C ATOM 433 OE1 GLN A 28 7.394 -8.269 -7.243 1.00 0.00 O ATOM 434 NE2 GLN A 28 7.725 -10.487 -7.081 1.00 0.00 N ATOM 0 H GLN A 28 6.387 -7.962 -2.846 1.00 0.00 H new ATOM 0 HA GLN A 28 9.286 -8.089 -2.892 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.178 -7.197 -4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.899 -7.159 -5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.041 -9.596 -4.939 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.345 -9.668 -4.504 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.986 -11.277 -6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.482 -10.639 -8.060 1.00 0.00 H new ATOM 443 N TRP A 29 7.641 -5.269 -2.600 1.00 0.00 N ATOM 444 CA TRP A 29 7.767 -3.829 -2.416 1.00 0.00 C ATOM 445 C TRP A 29 8.319 -3.503 -1.033 1.00 0.00 C ATOM 446 O TRP A 29 8.586 -2.344 -0.718 1.00 0.00 O ATOM 447 CB TRP A 29 6.415 -3.143 -2.618 1.00 0.00 C ATOM 448 CG TRP A 29 5.834 -3.355 -3.983 1.00 0.00 C ATOM 449 CD1 TRP A 29 6.471 -3.881 -5.067 1.00 0.00 C ATOM 450 CD2 TRP A 29 4.500 -3.048 -4.409 1.00 0.00 C ATOM 451 NE1 TRP A 29 5.619 -3.920 -6.142 1.00 0.00 N ATOM 452 CE2 TRP A 29 4.401 -3.415 -5.763 1.00 0.00 C ATOM 453 CE3 TRP A 29 3.380 -2.499 -3.774 1.00 0.00 C ATOM 454 CZ2 TRP A 29 3.235 -3.251 -6.494 1.00 0.00 C ATOM 455 CZ3 TRP A 29 2.210 -2.334 -4.506 1.00 0.00 C ATOM 456 CH2 TRP A 29 2.139 -2.700 -5.827 1.00 0.00 C ATOM 0 H TRP A 29 6.689 -5.624 -2.512 1.00 0.00 H new ATOM 0 HA TRP A 29 8.467 -3.454 -3.163 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.713 -3.515 -1.872 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.530 -2.073 -2.443 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.497 -4.218 -5.078 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.853 -4.268 -7.072 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.424 -2.209 -2.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.177 -3.537 -7.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.340 -1.910 -4.026 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.213 -2.558 -6.364 1.00 0.00 H new ATOM 467 N ASN A 30 8.490 -4.534 -0.210 1.00 0.00 N ATOM 468 CA ASN A 30 9.166 -4.385 1.072 1.00 0.00 C ATOM 469 C ASN A 30 10.361 -3.441 0.950 1.00 0.00 C ATOM 470 O ASN A 30 11.269 -3.674 0.154 1.00 0.00 O ATOM 471 CB ASN A 30 9.608 -5.725 1.628 1.00 0.00 C ATOM 472 CG ASN A 30 10.424 -5.620 2.887 1.00 0.00 C ATOM 473 OD1 ASN A 30 10.443 -4.578 3.553 1.00 0.00 O ATOM 474 ND2 ASN A 30 11.159 -6.664 3.173 1.00 0.00 N ATOM 0 H ASN A 30 8.169 -5.481 -0.410 1.00 0.00 H new ATOM 0 HA ASN A 30 8.449 -3.952 1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.726 -6.334 1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.192 -6.248 0.870 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.785 -6.642 3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.106 -7.500 2.591 1.00 0.00 H new ATOM 481 N ALA A 31 10.352 -2.378 1.748 1.00 0.00 N ATOM 482 CA ALA A 31 11.308 -1.291 1.581 1.00 0.00 C ATOM 483 C ALA A 31 12.536 -1.501 2.459 1.00 0.00 C ATOM 484 O ALA A 31 13.492 -0.727 2.403 1.00 0.00 O ATOM 485 CB ALA A 31 10.651 0.043 1.900 1.00 0.00 C ATOM 0 H ALA A 31 9.694 -2.247 2.516 1.00 0.00 H new ATOM 0 HA ALA A 31 11.634 -1.283 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.377 0.846 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.809 0.204 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.296 0.037 2.931 1.00 0.00 H new ATOM 491 N ALA A 32 12.505 -2.553 3.272 1.00 0.00 N ATOM 492 CA ALA A 32 13.569 -2.806 4.235 1.00 0.00 C ATOM 493 C ALA A 32 14.704 -3.604 3.602 1.00 0.00 C ATOM 494 O ALA A 32 14.746 -3.783 2.385 1.00 0.00 O ATOM 495 CB ALA A 32 13.019 -3.540 5.449 1.00 0.00 C ATOM 0 H ALA A 32 11.754 -3.243 3.282 1.00 0.00 H new ATOM 0 HA ALA A 32 13.970 -1.845 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.825 -3.722 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.248 -2.933 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.590 -4.492 5.135 1.00 0.00 H new ATOM 501 N SER A 33 15.625 -4.077 4.436 1.00 0.00 N ATOM 502 CA SER A 33 16.766 -4.847 3.957 1.00 0.00 C ATOM 503 C SER A 33 16.307 -6.116 3.247 1.00 0.00 C ATOM 504 O SER A 33 15.428 -6.830 3.733 1.00 0.00 O ATOM 505 CB SER A 33 17.689 -5.189 5.110 1.00 0.00 C ATOM 506 OG SER A 33 18.730 -6.040 4.717 1.00 0.00 O ATOM 0 H SER A 33 15.603 -3.940 5.447 1.00 0.00 H new ATOM 0 HA SER A 33 17.313 -4.237 3.238 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.108 -4.271 5.523 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.114 -5.663 5.905 1.00 0.00 H new ATOM 0 HG SER A 33 19.388 -6.107 5.440 1.00 0.00 H new ATOM 512 N ASP A 34 16.906 -6.393 2.093 1.00 0.00 N ATOM 513 CA ASP A 34 16.662 -7.644 1.386 1.00 0.00 C ATOM 514 C ASP A 34 17.369 -8.805 2.077 1.00 0.00 C ATOM 515 O ASP A 34 17.214 -9.961 1.684 1.00 0.00 O ATOM 516 CB ASP A 34 17.123 -7.538 -0.069 1.00 0.00 C ATOM 517 CG ASP A 34 16.240 -6.660 -0.946 1.00 0.00 C ATOM 518 OD1 ASP A 34 15.153 -6.338 -0.527 1.00 0.00 O ATOM 519 OD2 ASP A 34 16.714 -6.192 -1.953 1.00 0.00 O ATOM 0 H ASP A 34 17.564 -5.767 1.628 1.00 0.00 H new ATOM 0 HA ASP A 34 15.589 -7.835 1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.139 -7.144 -0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.161 -8.539 -0.499 1.00 0.00 H new ATOM 524 N ASP A 35 18.145 -8.489 3.109 1.00 0.00 N ATOM 525 CA ASP A 35 19.027 -9.471 3.730 1.00 0.00 C ATOM 526 C ASP A 35 18.578 -9.779 5.156 1.00 0.00 C ATOM 527 O ASP A 35 18.487 -10.941 5.550 1.00 0.00 O ATOM 528 CB ASP A 35 20.474 -8.971 3.728 1.00 0.00 C ATOM 529 CG ASP A 35 21.043 -8.699 2.342 1.00 0.00 C ATOM 530 OD1 ASP A 35 21.011 -9.587 1.524 1.00 0.00 O ATOM 531 OD2 ASP A 35 21.362 -7.568 2.064 1.00 0.00 O ATOM 0 H ASP A 35 18.181 -7.562 3.532 1.00 0.00 H new ATOM 0 HA ASP A 35 18.974 -10.390 3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.530 -8.055 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 35 21.102 -9.710 4.227 1.00 0.00 H new ATOM 536 N TRP A 36 18.300 -8.731 5.923 1.00 0.00 N ATOM 537 CA TRP A 36 18.079 -8.871 7.357 1.00 0.00 C ATOM 538 C TRP A 36 16.600 -8.721 7.697 1.00 0.00 C ATOM 539 O TRP A 36 16.220 -8.714 8.869 1.00 0.00 O ATOM 540 CB TRP A 36 18.904 -7.840 8.130 1.00 0.00 C ATOM 541 CG TRP A 36 20.382 -8.081 8.056 1.00 0.00 C ATOM 542 CD1 TRP A 36 21.268 -7.463 7.226 1.00 0.00 C ATOM 543 CD2 TRP A 36 21.145 -9.004 8.844 1.00 0.00 C ATOM 544 NE1 TRP A 36 22.536 -7.943 7.445 1.00 0.00 N ATOM 545 CE2 TRP A 36 22.485 -8.890 8.437 1.00 0.00 C ATOM 546 CE3 TRP A 36 20.821 -9.915 9.856 1.00 0.00 C ATOM 547 CZ2 TRP A 36 23.500 -9.650 8.999 1.00 0.00 C ATOM 548 CZ3 TRP A 36 21.838 -10.675 10.421 1.00 0.00 C ATOM 549 CH2 TRP A 36 23.140 -10.546 10.006 1.00 0.00 C ATOM 0 H TRP A 36 18.222 -7.775 5.576 1.00 0.00 H new ATOM 0 HA TRP A 36 18.400 -9.870 7.651 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.686 -6.846 7.740 1.00 0.00 H new ATOM 0 HB3 TRP A 36 18.594 -7.848 9.175 1.00 0.00 H new ATOM 0 HD1 TRP A 36 21.011 -6.705 6.501 1.00 0.00 H new ATOM 0 HE1 TRP A 36 23.377 -7.645 6.951 1.00 0.00 H new ATOM 0 HE3 TRP A 36 19.800 -10.025 10.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 24.524 -9.552 8.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 21.599 -11.381 11.202 1.00 0.00 H new ATOM 0 HH2 TRP A 36 23.904 -11.152 10.470 1.00 0.00 H new ATOM 560 N HIS A 37 15.770 -8.600 6.667 1.00 0.00 N ATOM 561 CA HIS A 37 14.330 -8.462 6.857 1.00 0.00 C ATOM 562 C HIS A 37 13.568 -9.433 5.960 1.00 0.00 C ATOM 563 O HIS A 37 13.775 -9.467 4.746 1.00 0.00 O ATOM 564 CB HIS A 37 13.881 -7.024 6.576 1.00 0.00 C ATOM 565 CG HIS A 37 12.491 -6.726 7.046 1.00 0.00 C ATOM 566 ND1 HIS A 37 11.380 -6.913 6.251 1.00 0.00 N ATOM 567 CD2 HIS A 37 12.032 -6.253 8.229 1.00 0.00 C ATOM 568 CE1 HIS A 37 10.297 -6.568 6.926 1.00 0.00 C ATOM 569 NE2 HIS A 37 10.665 -6.165 8.127 1.00 0.00 N ATOM 0 H HIS A 37 16.069 -8.595 5.692 1.00 0.00 H new ATOM 0 HA HIS A 37 14.106 -8.701 7.897 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.574 -6.335 7.059 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.941 -6.837 5.504 1.00 0.00 H new ATOM 0 HD2 HIS A 37 12.629 -5.994 9.091 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.283 -6.609 6.557 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.036 -5.840 8.861 1.00 0.00 H new ATOM 576 N THR A 38 12.686 -10.222 6.566 1.00 0.00 N ATOM 577 CA THR A 38 11.828 -11.127 5.814 1.00 0.00 C ATOM 578 C THR A 38 10.373 -10.675 5.863 1.00 0.00 C ATOM 579 O THR A 38 9.853 -10.336 6.926 1.00 0.00 O ATOM 580 CB THR A 38 11.926 -12.570 6.344 1.00 0.00 C ATOM 581 OG1 THR A 38 13.274 -13.039 6.212 1.00 0.00 O ATOM 582 CG2 THR A 38 10.996 -13.488 5.566 1.00 0.00 C ATOM 0 H THR A 38 12.548 -10.252 7.576 1.00 0.00 H new ATOM 0 HA THR A 38 12.177 -11.105 4.782 1.00 0.00 H new ATOM 0 HB THR A 38 11.632 -12.577 7.394 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.336 -13.956 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.078 -14.503 5.954 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.968 -13.141 5.673 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.274 -13.479 4.512 1.00 0.00 H new ATOM 590 N THR A 39 9.719 -10.673 4.705 1.00 0.00 N ATOM 591 CA THR A 39 8.341 -10.210 4.607 1.00 0.00 C ATOM 592 C THR A 39 7.455 -11.258 3.943 1.00 0.00 C ATOM 593 O THR A 39 7.862 -11.910 2.983 1.00 0.00 O ATOM 594 CB THR A 39 8.242 -8.892 3.816 1.00 0.00 C ATOM 595 OG1 THR A 39 8.979 -7.867 4.496 1.00 0.00 O ATOM 596 CG2 THR A 39 6.790 -8.460 3.678 1.00 0.00 C ATOM 0 H THR A 39 10.122 -10.987 3.822 1.00 0.00 H new ATOM 0 HA THR A 39 7.994 -10.037 5.626 1.00 0.00 H new ATOM 0 HB THR A 39 8.659 -9.051 2.822 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.568 -6.995 4.317 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.740 -7.527 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.229 -9.232 3.151 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.359 -8.311 4.668 1.00 0.00 H new ATOM 604 N ALA A 40 6.242 -11.414 4.463 1.00 0.00 N ATOM 605 CA ALA A 40 5.210 -12.182 3.777 1.00 0.00 C ATOM 606 C ALA A 40 3.826 -11.597 4.034 1.00 0.00 C ATOM 607 O ALA A 40 3.538 -11.121 5.132 1.00 0.00 O ATOM 608 CB ALA A 40 5.259 -13.640 4.214 1.00 0.00 C ATOM 0 H ALA A 40 5.950 -11.019 5.357 1.00 0.00 H new ATOM 0 HA ALA A 40 5.404 -12.128 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.483 -14.202 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.235 -14.060 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.094 -13.703 5.290 1.00 0.00 H new ATOM 614 N ALA A 41 2.974 -11.635 3.015 1.00 0.00 N ATOM 615 CA ALA A 41 1.644 -11.046 3.110 1.00 0.00 C ATOM 616 C ALA A 41 0.593 -11.958 2.485 1.00 0.00 C ATOM 617 O ALA A 41 0.871 -12.675 1.522 1.00 0.00 O ATOM 618 CB ALA A 41 1.624 -9.680 2.443 1.00 0.00 C ATOM 0 H ALA A 41 3.181 -12.067 2.115 1.00 0.00 H new ATOM 0 HA ALA A 41 1.401 -10.926 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.625 -9.251 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.340 -9.023 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.893 -9.784 1.392 1.00 0.00 H new ATOM 624 N THR A 42 -0.615 -11.927 3.038 1.00 0.00 N ATOM 625 CA THR A 42 -1.768 -12.538 2.389 1.00 0.00 C ATOM 626 C THR A 42 -2.970 -11.600 2.406 1.00 0.00 C ATOM 627 O THR A 42 -3.333 -11.057 3.448 1.00 0.00 O ATOM 628 CB THR A 42 -2.157 -13.867 3.063 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.049 -14.775 3.009 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.353 -14.491 2.360 1.00 0.00 C ATOM 0 H THR A 42 -0.820 -11.485 3.934 1.00 0.00 H new ATOM 0 HA THR A 42 -1.480 -12.736 1.357 1.00 0.00 H new ATOM 0 HB THR A 42 -2.422 -13.667 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.297 -15.620 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.614 -15.429 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.201 -13.808 2.409 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.102 -14.684 1.317 1.00 0.00 H new ATOM 638 N VAL A 43 -3.584 -11.412 1.240 1.00 0.00 N ATOM 639 CA VAL A 43 -4.643 -10.423 1.086 1.00 0.00 C ATOM 640 C VAL A 43 -5.862 -11.027 0.395 1.00 0.00 C ATOM 641 O VAL A 43 -5.742 -11.678 -0.642 1.00 0.00 O ATOM 642 CB VAL A 43 -4.161 -9.200 0.284 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.274 -8.170 0.164 1.00 0.00 C ATOM 644 CG2 VAL A 43 -2.934 -8.584 0.937 1.00 0.00 C ATOM 0 H VAL A 43 -3.365 -11.932 0.390 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.921 -10.099 2.089 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.888 -9.531 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.916 -7.312 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.128 -8.615 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.577 -7.844 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.607 -7.721 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.181 -8.267 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.132 -9.321 0.973 1.00 0.00 H new ATOM 654 N ASP A 44 -7.035 -10.803 0.978 1.00 0.00 N ATOM 655 CA ASP A 44 -8.293 -11.078 0.293 1.00 0.00 C ATOM 656 C ASP A 44 -8.856 -9.810 -0.340 1.00 0.00 C ATOM 657 O ASP A 44 -9.312 -8.905 0.362 1.00 0.00 O ATOM 658 CB ASP A 44 -9.312 -11.683 1.262 1.00 0.00 C ATOM 659 CG ASP A 44 -10.644 -12.055 0.622 1.00 0.00 C ATOM 660 OD1 ASP A 44 -10.810 -11.800 -0.547 1.00 0.00 O ATOM 661 OD2 ASP A 44 -11.418 -12.728 1.259 1.00 0.00 O ATOM 0 H ASP A 44 -7.141 -10.432 1.922 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.094 -11.799 -0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.879 -12.574 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.496 -10.972 2.068 1.00 0.00 H new ATOM 666 N LEU A 45 -8.820 -9.749 -1.665 1.00 0.00 N ATOM 667 CA LEU A 45 -9.131 -8.518 -2.384 1.00 0.00 C ATOM 668 C LEU A 45 -10.638 -8.340 -2.531 1.00 0.00 C ATOM 669 O LEU A 45 -11.235 -8.793 -3.509 1.00 0.00 O ATOM 670 CB LEU A 45 -8.454 -8.521 -3.761 1.00 0.00 C ATOM 671 CG LEU A 45 -6.927 -8.376 -3.738 1.00 0.00 C ATOM 672 CD1 LEU A 45 -6.293 -9.624 -3.140 1.00 0.00 C ATOM 673 CD2 LEU A 45 -6.418 -8.136 -5.151 1.00 0.00 C ATOM 0 H LEU A 45 -8.578 -10.538 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.746 -7.678 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.707 -9.451 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.871 -7.708 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.652 -7.524 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.209 -9.511 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.655 -9.763 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.561 -10.492 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.333 -8.033 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.693 -8.979 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.863 -7.224 -5.548 1.00 0.00 H new ATOM 685 N ARG A 46 -11.248 -7.676 -1.555 1.00 0.00 N ATOM 686 CA ARG A 46 -12.677 -7.390 -1.602 1.00 0.00 C ATOM 687 C ARG A 46 -13.067 -6.387 -0.521 1.00 0.00 C ATOM 688 O ARG A 46 -12.363 -6.229 0.476 1.00 0.00 O ATOM 689 CB ARG A 46 -13.520 -8.655 -1.523 1.00 0.00 C ATOM 690 CG ARG A 46 -13.410 -9.414 -0.210 1.00 0.00 C ATOM 691 CD ARG A 46 -14.179 -10.685 -0.172 1.00 0.00 C ATOM 692 NE ARG A 46 -13.923 -11.510 0.998 1.00 0.00 N ATOM 693 CZ ARG A 46 -14.579 -11.400 2.169 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.503 -10.481 2.345 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.253 -12.228 3.147 1.00 0.00 N ATOM 0 H ARG A 46 -10.775 -7.326 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.886 -6.938 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.564 -8.389 -1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.229 -9.320 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.360 -9.633 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.755 -8.770 0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.243 -10.452 -0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.946 -11.263 -1.066 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.196 -12.222 0.927 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.733 -9.837 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.990 -10.412 3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.523 -12.925 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.732 -12.169 4.046 1.00 0.00 H new ATOM 709 N GLU A 47 -14.193 -5.710 -0.727 1.00 0.00 N ATOM 710 CA GLU A 47 -14.762 -4.844 0.299 1.00 0.00 C ATOM 711 C GLU A 47 -15.205 -5.657 1.512 1.00 0.00 C ATOM 712 O GLU A 47 -16.026 -6.565 1.398 1.00 0.00 O ATOM 713 CB GLU A 47 -15.943 -4.048 -0.264 1.00 0.00 C ATOM 714 CG GLU A 47 -16.521 -3.019 0.696 1.00 0.00 C ATOM 715 CD GLU A 47 -17.522 -2.132 0.007 1.00 0.00 C ATOM 716 OE1 GLU A 47 -17.163 -1.505 -0.961 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.670 -2.166 0.380 1.00 0.00 O ATOM 0 H GLU A 47 -14.729 -5.745 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.989 -4.145 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.622 -3.539 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.732 -4.744 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.998 -3.527 1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.716 -2.411 1.109 1.00 0.00 H new ATOM 724 N GLY A 48 -14.653 -5.322 2.675 1.00 0.00 N ATOM 725 CA GLY A 48 -14.895 -6.114 3.866 1.00 0.00 C ATOM 726 C GLY A 48 -13.889 -7.236 4.028 1.00 0.00 C ATOM 727 O GLY A 48 -13.835 -7.887 5.071 1.00 0.00 O ATOM 0 H GLY A 48 -14.043 -4.516 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.858 -5.467 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.900 -6.534 3.822 1.00 0.00 H new ATOM 731 N GLY A 49 -13.087 -7.467 2.991 1.00 0.00 N ATOM 732 CA GLY A 49 -12.123 -8.550 3.027 1.00 0.00 C ATOM 733 C GLY A 49 -11.010 -8.303 4.024 1.00 0.00 C ATOM 734 O GLY A 49 -10.664 -7.156 4.308 1.00 0.00 O ATOM 0 H GLY A 49 -13.089 -6.923 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.634 -9.479 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.694 -8.683 2.034 1.00 0.00 H new ATOM 738 N ALA A 50 -10.446 -9.382 4.559 1.00 0.00 N ATOM 739 CA ALA A 50 -9.366 -9.276 5.531 1.00 0.00 C ATOM 740 C ALA A 50 -8.006 -9.449 4.864 1.00 0.00 C ATOM 741 O ALA A 50 -7.894 -10.099 3.824 1.00 0.00 O ATOM 742 CB ALA A 50 -9.547 -10.307 6.636 1.00 0.00 C ATOM 0 H ALA A 50 -10.720 -10.339 4.335 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.403 -8.278 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.733 -10.216 7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.498 -10.136 7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.540 -11.308 6.204 1.00 0.00 H new ATOM 748 N PHE A 51 -6.976 -8.863 5.466 1.00 0.00 N ATOM 749 CA PHE A 51 -5.608 -9.061 5.004 1.00 0.00 C ATOM 750 C PHE A 51 -4.634 -9.076 6.179 1.00 0.00 C ATOM 751 O PHE A 51 -4.937 -8.560 7.255 1.00 0.00 O ATOM 752 CB PHE A 51 -5.217 -7.970 4.006 1.00 0.00 C ATOM 753 CG PHE A 51 -5.283 -6.580 4.571 1.00 0.00 C ATOM 754 CD1 PHE A 51 -4.187 -6.023 5.212 1.00 0.00 C ATOM 755 CD2 PHE A 51 -6.443 -5.826 4.464 1.00 0.00 C ATOM 756 CE1 PHE A 51 -4.247 -4.744 5.733 1.00 0.00 C ATOM 757 CE2 PHE A 51 -6.505 -4.547 4.982 1.00 0.00 C ATOM 758 CZ PHE A 51 -5.405 -4.007 5.618 1.00 0.00 C ATOM 0 H PHE A 51 -7.063 -8.247 6.275 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.556 -10.028 4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.204 -8.161 3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.874 -8.031 3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.276 -6.595 5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.308 -6.244 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.386 -4.323 6.230 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.413 -3.970 4.890 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.452 -3.008 6.025 1.00 0.00 H new ATOM 768 N SER A 52 -3.465 -9.670 5.964 1.00 0.00 N ATOM 769 CA SER A 52 -2.473 -9.811 7.022 1.00 0.00 C ATOM 770 C SER A 52 -1.060 -9.792 6.449 1.00 0.00 C ATOM 771 O SER A 52 -0.813 -10.311 5.361 1.00 0.00 O ATOM 772 CB SER A 52 -2.713 -11.093 7.797 1.00 0.00 C ATOM 773 OG SER A 52 -1.755 -11.289 8.801 1.00 0.00 O ATOM 0 H SER A 52 -3.182 -10.062 5.066 1.00 0.00 H new ATOM 0 HA SER A 52 -2.574 -8.965 7.702 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.706 -11.065 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.697 -11.940 7.111 1.00 0.00 H new ATOM 0 HG SER A 52 -1.503 -10.424 9.186 1.00 0.00 H new ATOM 779 N SER A 53 -0.135 -9.189 7.190 1.00 0.00 N ATOM 780 CA SER A 53 1.264 -9.142 6.779 1.00 0.00 C ATOM 781 C SER A 53 2.185 -9.450 7.955 1.00 0.00 C ATOM 782 O SER A 53 2.101 -8.815 9.007 1.00 0.00 O ATOM 783 CB SER A 53 1.592 -7.786 6.187 1.00 0.00 C ATOM 784 OG SER A 53 2.935 -7.692 5.797 1.00 0.00 O ATOM 0 H SER A 53 -0.329 -8.726 8.078 1.00 0.00 H new ATOM 0 HA SER A 53 1.424 -9.903 6.016 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.951 -7.603 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.372 -7.009 6.919 1.00 0.00 H new ATOM 0 HG SER A 53 3.105 -6.804 5.419 1.00 0.00 H new ATOM 790 N ARG A 54 3.067 -10.427 7.768 1.00 0.00 N ATOM 791 CA ARG A 54 3.996 -10.828 8.818 1.00 0.00 C ATOM 792 C ARG A 54 5.425 -10.432 8.459 1.00 0.00 C ATOM 793 O ARG A 54 5.921 -10.769 7.384 1.00 0.00 O ATOM 794 CB ARG A 54 3.890 -12.311 9.142 1.00 0.00 C ATOM 795 CG ARG A 54 4.760 -12.776 10.300 1.00 0.00 C ATOM 796 CD ARG A 54 4.684 -14.233 10.576 1.00 0.00 C ATOM 797 NE ARG A 54 5.564 -14.692 11.639 1.00 0.00 N ATOM 798 CZ ARG A 54 5.257 -14.669 12.950 1.00 0.00 C ATOM 799 NH1 ARG A 54 4.111 -14.179 13.369 1.00 0.00 N ATOM 800 NH2 ARG A 54 6.148 -15.132 13.809 1.00 0.00 N ATOM 0 H ARG A 54 3.158 -10.955 6.900 1.00 0.00 H new ATOM 0 HA ARG A 54 3.715 -10.291 9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.850 -12.545 9.371 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.157 -12.883 8.253 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.796 -12.512 10.089 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.469 -12.232 11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.657 -14.487 10.837 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.925 -14.776 9.662 1.00 0.00 H new ATOM 0 HE ARG A 54 6.478 -15.057 11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.439 -13.809 12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.894 -14.169 14.366 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.040 -15.494 13.473 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.943 -15.127 14.808 1.00 0.00 H new ATOM 814 N MET A 55 6.080 -9.714 9.367 1.00 0.00 N ATOM 815 CA MET A 55 7.467 -9.312 9.165 1.00 0.00 C ATOM 816 C MET A 55 8.355 -9.841 10.285 1.00 0.00 C ATOM 817 O MET A 55 8.006 -9.747 11.461 1.00 0.00 O ATOM 818 CB MET A 55 7.569 -7.790 9.080 1.00 0.00 C ATOM 819 CG MET A 55 6.838 -7.174 7.895 1.00 0.00 C ATOM 820 SD MET A 55 7.003 -5.379 7.833 1.00 0.00 S ATOM 821 CE MET A 55 5.991 -4.996 6.406 1.00 0.00 C ATOM 0 H MET A 55 5.673 -9.400 10.248 1.00 0.00 H new ATOM 0 HA MET A 55 7.814 -9.741 8.225 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.172 -7.360 9.999 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.621 -7.511 9.026 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.226 -7.603 6.971 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.781 -7.436 7.949 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.993 -3.919 6.237 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.394 -5.501 5.528 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.970 -5.334 6.583 1.00 0.00 H new ATOM 831 N GLU A 56 9.505 -10.395 9.913 1.00 0.00 N ATOM 832 CA GLU A 56 10.451 -10.919 10.891 1.00 0.00 C ATOM 833 C GLU A 56 11.862 -10.411 10.607 1.00 0.00 C ATOM 834 O GLU A 56 12.225 -10.164 9.458 1.00 0.00 O ATOM 835 CB GLU A 56 10.430 -12.448 10.892 1.00 0.00 C ATOM 836 CG GLU A 56 9.135 -13.059 11.410 1.00 0.00 C ATOM 837 CD GLU A 56 9.214 -14.560 11.444 1.00 0.00 C ATOM 838 OE1 GLU A 56 10.205 -15.094 11.007 1.00 0.00 O ATOM 839 OE2 GLU A 56 8.337 -15.168 12.010 1.00 0.00 O ATOM 0 H GLU A 56 9.804 -10.492 8.943 1.00 0.00 H new ATOM 0 HA GLU A 56 10.149 -10.565 11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.604 -12.802 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.258 -12.810 11.502 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.927 -12.681 12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.305 -12.751 10.774 1.00 0.00 H new ATOM 846 N ALA A 57 12.652 -10.257 11.664 1.00 0.00 N ATOM 847 CA ALA A 57 14.076 -9.978 11.522 1.00 0.00 C ATOM 848 C ALA A 57 14.859 -11.256 11.243 1.00 0.00 C ATOM 849 O ALA A 57 14.632 -12.288 11.874 1.00 0.00 O ATOM 850 CB ALA A 57 14.609 -9.292 12.770 1.00 0.00 C ATOM 0 H ALA A 57 12.330 -10.321 12.630 1.00 0.00 H new ATOM 0 HA ALA A 57 14.206 -9.309 10.672 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.673 -9.091 12.648 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.077 -8.353 12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.459 -9.940 13.634 1.00 0.00 H new ATOM 856 N LYS A 58 15.783 -11.182 10.290 1.00 0.00 N ATOM 857 CA LYS A 58 16.581 -12.341 9.904 1.00 0.00 C ATOM 858 C LYS A 58 17.346 -12.896 11.100 1.00 0.00 C ATOM 859 O LYS A 58 17.602 -14.098 11.183 1.00 0.00 O ATOM 860 CB LYS A 58 17.550 -11.976 8.779 1.00 0.00 C ATOM 861 CG LYS A 58 18.420 -13.131 8.299 1.00 0.00 C ATOM 862 CD LYS A 58 17.592 -14.184 7.578 1.00 0.00 C ATOM 863 CE LYS A 58 18.476 -15.268 6.980 1.00 0.00 C ATOM 864 NZ LYS A 58 17.680 -16.301 6.260 1.00 0.00 N ATOM 0 H LYS A 58 15.998 -10.331 9.770 1.00 0.00 H new ATOM 0 HA LYS A 58 15.902 -13.113 9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.979 -11.592 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 58 18.196 -11.168 9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 58 19.194 -12.753 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.928 -13.585 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.884 -14.633 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.007 -13.712 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.190 -14.815 6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.054 -15.743 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.320 -17.021 5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.016 -16.751 6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.148 -15.853 5.487 1.00 0.00 H new ATOM 878 N ASP A 59 17.707 -12.015 12.027 1.00 0.00 N ATOM 879 CA ASP A 59 18.522 -12.402 13.173 1.00 0.00 C ATOM 880 C ASP A 59 17.664 -13.048 14.256 1.00 0.00 C ATOM 881 O ASP A 59 18.173 -13.486 15.286 1.00 0.00 O ATOM 882 CB ASP A 59 19.263 -11.187 13.740 1.00 0.00 C ATOM 883 CG ASP A 59 18.366 -10.167 14.426 1.00 0.00 C ATOM 884 OD1 ASP A 59 17.191 -10.424 14.549 1.00 0.00 O ATOM 885 OD2 ASP A 59 18.882 -9.215 14.960 1.00 0.00 O ATOM 0 H ASP A 59 17.448 -11.029 12.007 1.00 0.00 H new ATOM 0 HA ASP A 59 19.256 -13.133 12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.011 -11.533 14.454 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.800 -10.694 12.930 1.00 0.00 H new ATOM 890 N GLY A 60 16.357 -13.102 14.015 1.00 0.00 N ATOM 891 CA GLY A 60 15.488 -13.933 14.828 1.00 0.00 C ATOM 892 C GLY A 60 15.249 -13.349 16.206 1.00 0.00 C ATOM 893 O GLY A 60 14.780 -14.042 17.109 1.00 0.00 O ATOM 0 H GLY A 60 15.885 -12.586 13.272 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.532 -14.059 14.320 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.929 -14.925 14.929 1.00 0.00 H new ATOM 897 N SER A 61 15.570 -12.070 16.368 1.00 0.00 N ATOM 898 CA SER A 61 15.493 -11.421 17.672 1.00 0.00 C ATOM 899 C SER A 61 14.088 -10.880 17.926 1.00 0.00 C ATOM 900 O SER A 61 13.629 -10.828 19.067 1.00 0.00 O ATOM 901 CB SER A 61 16.515 -10.304 17.763 1.00 0.00 C ATOM 902 OG SER A 61 16.229 -9.256 16.880 1.00 0.00 O ATOM 0 H SER A 61 15.886 -11.462 15.613 1.00 0.00 H new ATOM 0 HA SER A 61 15.715 -12.163 18.439 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.543 -9.921 18.783 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.506 -10.701 17.545 1.00 0.00 H new ATOM 0 HG SER A 61 16.455 -9.528 15.966 1.00 0.00 H new ATOM 908 N MET A 62 13.411 -10.481 16.855 1.00 0.00 N ATOM 909 CA MET A 62 12.146 -9.767 16.974 1.00 0.00 C ATOM 910 C MET A 62 11.346 -9.859 15.677 1.00 0.00 C ATOM 911 O MET A 62 11.886 -10.201 14.626 1.00 0.00 O ATOM 912 CB MET A 62 12.395 -8.305 17.342 1.00 0.00 C ATOM 913 CG MET A 62 13.178 -7.519 16.301 1.00 0.00 C ATOM 914 SD MET A 62 13.527 -5.829 16.825 1.00 0.00 S ATOM 915 CE MET A 62 11.896 -5.098 16.721 1.00 0.00 C ATOM 0 H MET A 62 13.717 -10.640 15.895 1.00 0.00 H new ATOM 0 HA MET A 62 11.563 -10.234 17.768 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.435 -7.815 17.503 1.00 0.00 H new ATOM 0 HB3 MET A 62 12.934 -8.268 18.289 1.00 0.00 H new ATOM 0 HG2 MET A 62 14.117 -8.032 16.094 1.00 0.00 H new ATOM 0 HG3 MET A 62 12.614 -7.497 15.368 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.974 -4.090 16.314 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.266 -5.704 16.070 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.453 -5.054 17.716 1.00 0.00 H new ATOM 925 N GLY A 63 10.054 -9.552 15.761 1.00 0.00 N ATOM 926 CA GLY A 63 9.237 -9.455 14.566 1.00 0.00 C ATOM 927 C GLY A 63 7.841 -8.941 14.860 1.00 0.00 C ATOM 928 O GLY A 63 7.440 -8.839 16.019 1.00 0.00 O ATOM 0 H GLY A 63 9.560 -9.369 16.634 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.722 -8.791 13.850 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.168 -10.436 14.095 1.00 0.00 H new ATOM 932 N PHE A 64 7.097 -8.617 13.806 1.00 0.00 N ATOM 933 CA PHE A 64 5.772 -8.029 13.958 1.00 0.00 C ATOM 934 C PHE A 64 4.747 -8.773 13.107 1.00 0.00 C ATOM 935 O PHE A 64 5.052 -9.228 12.005 1.00 0.00 O ATOM 936 CB PHE A 64 5.798 -6.547 13.579 1.00 0.00 C ATOM 937 CG PHE A 64 6.703 -5.717 14.444 1.00 0.00 C ATOM 938 CD1 PHE A 64 6.259 -5.214 15.658 1.00 0.00 C ATOM 939 CD2 PHE A 64 8.002 -5.437 14.046 1.00 0.00 C ATOM 940 CE1 PHE A 64 7.090 -4.450 16.454 1.00 0.00 C ATOM 941 CE2 PHE A 64 8.836 -4.673 14.841 1.00 0.00 C ATOM 942 CZ PHE A 64 8.380 -4.180 16.045 1.00 0.00 C ATOM 0 H PHE A 64 7.390 -8.752 12.838 1.00 0.00 H new ATOM 0 HA PHE A 64 5.480 -8.118 15.004 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.116 -6.452 12.541 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.786 -6.148 13.640 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.251 -5.422 15.985 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.366 -5.820 13.104 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.730 -4.064 17.396 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.845 -4.462 14.519 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.031 -3.584 16.667 1.00 0.00 H new ATOM 952 N ASP A 65 3.531 -8.893 13.628 1.00 0.00 N ATOM 953 CA ASP A 65 2.414 -9.417 12.850 1.00 0.00 C ATOM 954 C ASP A 65 1.319 -8.365 12.694 1.00 0.00 C ATOM 955 O ASP A 65 0.785 -7.857 13.681 1.00 0.00 O ATOM 956 CB ASP A 65 1.846 -10.677 13.506 1.00 0.00 C ATOM 957 CG ASP A 65 0.726 -11.345 12.720 1.00 0.00 C ATOM 958 OD1 ASP A 65 0.320 -10.799 11.721 1.00 0.00 O ATOM 959 OD2 ASP A 65 0.394 -12.464 13.032 1.00 0.00 O ATOM 0 H ASP A 65 3.293 -8.635 14.586 1.00 0.00 H new ATOM 0 HA ASP A 65 2.786 -9.676 11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.654 -11.395 13.645 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.474 -10.419 14.498 1.00 0.00 H new ATOM 964 N PHE A 66 0.992 -8.041 11.448 1.00 0.00 N ATOM 965 CA PHE A 66 0.037 -6.976 11.161 1.00 0.00 C ATOM 966 C PHE A 66 -1.238 -7.542 10.542 1.00 0.00 C ATOM 967 O PHE A 66 -1.190 -8.452 9.717 1.00 0.00 O ATOM 968 CB PHE A 66 0.659 -5.934 10.229 1.00 0.00 C ATOM 969 CG PHE A 66 1.855 -5.236 10.813 1.00 0.00 C ATOM 970 CD1 PHE A 66 1.695 -4.182 11.701 1.00 0.00 C ATOM 971 CD2 PHE A 66 3.140 -5.631 10.476 1.00 0.00 C ATOM 972 CE1 PHE A 66 2.792 -3.538 12.239 1.00 0.00 C ATOM 973 CE2 PHE A 66 4.240 -4.989 11.014 1.00 0.00 C ATOM 974 CZ PHE A 66 4.067 -3.942 11.894 1.00 0.00 C ATOM 0 H PHE A 66 1.374 -8.500 10.621 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.223 -6.493 12.103 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.952 -6.421 9.299 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.096 -5.190 9.975 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.701 -3.861 11.975 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.284 -6.449 9.786 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.653 -2.719 12.929 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.236 -5.308 10.745 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.926 -3.439 12.313 1.00 0.00 H new ATOM 984 N ALA A 67 -2.379 -6.994 10.951 1.00 0.00 N ATOM 985 CA ALA A 67 -3.664 -7.405 10.399 1.00 0.00 C ATOM 986 C ALA A 67 -4.549 -6.197 10.111 1.00 0.00 C ATOM 987 O ALA A 67 -4.450 -5.170 10.779 1.00 0.00 O ATOM 988 CB ALA A 67 -4.366 -8.361 11.351 1.00 0.00 C ATOM 0 H ALA A 67 -2.439 -6.265 11.662 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.479 -7.920 9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.324 -8.660 10.926 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.745 -9.244 11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.532 -7.865 12.307 1.00 0.00 H new ATOM 994 N GLY A 68 -5.414 -6.328 9.109 1.00 0.00 N ATOM 995 CA GLY A 68 -6.330 -5.253 8.773 1.00 0.00 C ATOM 996 C GLY A 68 -7.518 -5.735 7.965 1.00 0.00 C ATOM 997 O GLY A 68 -7.539 -6.873 7.495 1.00 0.00 O ATOM 0 H GLY A 68 -5.497 -7.160 8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.685 -4.782 9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.797 -4.488 8.208 1.00 0.00 H new ATOM 1001 N THR A 69 -8.512 -4.867 7.804 1.00 0.00 N ATOM 1002 CA THR A 69 -9.684 -5.191 7.000 1.00 0.00 C ATOM 1003 C THR A 69 -10.048 -4.040 6.069 1.00 0.00 C ATOM 1004 O THR A 69 -9.779 -2.877 6.371 1.00 0.00 O ATOM 1005 CB THR A 69 -10.900 -5.527 7.883 1.00 0.00 C ATOM 1006 OG1 THR A 69 -11.234 -4.394 8.694 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.594 -6.716 8.782 1.00 0.00 C ATOM 0 H THR A 69 -8.529 -3.935 8.219 1.00 0.00 H new ATOM 0 HA THR A 69 -9.425 -6.068 6.406 1.00 0.00 H new ATOM 0 HB THR A 69 -11.740 -5.779 7.236 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.009 -4.609 9.254 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.464 -6.939 9.399 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.352 -7.584 8.168 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.746 -6.478 9.424 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.660 -4.370 4.938 1.00 0.00 N ATOM 1016 CA TYR A 70 -11.150 -3.358 4.010 1.00 0.00 C ATOM 1017 C TYR A 70 -12.536 -2.869 4.418 1.00 0.00 C ATOM 1018 O TYR A 70 -13.363 -3.643 4.904 1.00 0.00 O ATOM 1019 CB TYR A 70 -11.192 -3.918 2.586 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.828 -4.252 2.026 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.913 -3.248 1.730 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.454 -5.569 1.794 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.666 -3.548 1.217 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -8.208 -5.879 1.283 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.318 -4.866 0.995 1.00 0.00 C ATOM 1026 OH TYR A 70 -6.077 -5.168 0.485 1.00 0.00 O ATOM 0 H TYR A 70 -10.829 -5.331 4.641 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.463 -2.512 4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.809 -4.816 2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.676 -3.191 1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.182 -2.217 1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.149 -6.365 2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.967 -2.756 0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.933 -6.909 1.110 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.534 -5.598 1.178 1.00 0.00 H new ATOM 1036 N THR A 71 -12.786 -1.580 4.215 1.00 0.00 N ATOM 1037 CA THR A 71 -14.039 -0.968 4.637 1.00 0.00 C ATOM 1038 C THR A 71 -14.883 -0.560 3.434 1.00 0.00 C ATOM 1039 O THR A 71 -16.113 -0.604 3.483 1.00 0.00 O ATOM 1040 CB THR A 71 -13.796 0.266 5.525 1.00 0.00 C ATOM 1041 OG1 THR A 71 -13.109 1.273 4.770 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.961 -0.108 6.740 1.00 0.00 C ATOM 0 H THR A 71 -12.136 -0.939 3.760 1.00 0.00 H new ATOM 0 HA THR A 71 -14.576 -1.718 5.217 1.00 0.00 H new ATOM 0 HB THR A 71 -14.760 0.648 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.234 2.145 5.199 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.799 0.776 7.356 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.485 -0.865 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.999 -0.503 6.413 1.00 0.00 H new ATOM 1050 N LYS A 72 -14.217 -0.164 2.357 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.896 0.434 1.213 1.00 0.00 C ATOM 1052 C LYS A 72 -14.055 0.292 -0.053 1.00 0.00 C ATOM 1053 O LYS A 72 -12.844 0.514 -0.035 1.00 0.00 O ATOM 1054 CB LYS A 72 -15.204 1.907 1.481 1.00 0.00 C ATOM 1055 CG LYS A 72 -16.097 2.563 0.436 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.471 3.981 0.840 1.00 0.00 C ATOM 1057 CE LYS A 72 -17.472 4.589 -0.132 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.856 5.973 0.258 1.00 0.00 N ATOM 0 H LYS A 72 -13.206 -0.246 2.251 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.836 -0.097 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.683 1.994 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.265 2.458 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.583 2.580 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.002 1.970 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.894 3.975 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.574 4.599 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.044 4.600 -1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.363 3.963 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.539 6.351 -0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.288 5.960 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.010 6.577 0.273 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.707 -0.076 -1.152 1.00 0.00 N ATOM 1073 CA VAL A 73 -14.056 -0.093 -2.457 1.00 0.00 C ATOM 1074 C VAL A 73 -14.987 0.436 -3.542 1.00 0.00 C ATOM 1075 O VAL A 73 -16.118 -0.029 -3.685 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.592 -1.512 -2.839 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.928 -1.504 -4.208 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.638 -2.061 -1.789 1.00 0.00 C ATOM 0 H VAL A 73 -15.685 -0.366 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.183 0.556 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.467 -2.161 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.606 -2.514 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.639 -1.151 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -12.063 -0.842 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.320 -3.064 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.766 -1.411 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.143 -2.102 -0.824 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.503 1.410 -4.305 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.320 2.061 -5.323 1.00 0.00 C ATOM 1090 C VAL A 74 -14.617 2.057 -6.676 1.00 0.00 C ATOM 1091 O VAL A 74 -13.477 2.505 -6.795 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.658 3.513 -4.934 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.471 4.183 -6.032 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.414 3.549 -3.616 1.00 0.00 C ATOM 0 H VAL A 74 -13.550 1.766 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.246 1.491 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.725 4.063 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.701 5.208 -5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.896 4.189 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.399 3.632 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.644 4.582 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.341 2.984 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.800 3.107 -2.832 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.305 1.548 -7.693 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.817 1.635 -9.064 1.00 0.00 C ATOM 1106 C GLU A 75 -13.349 1.225 -9.145 1.00 0.00 C ATOM 1107 O GLU A 75 -12.594 1.742 -9.968 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.001 3.052 -9.612 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.451 3.499 -9.725 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.551 4.897 -10.268 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.530 5.506 -10.481 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.642 5.317 -10.576 1.00 0.00 O ATOM 0 H GLU A 75 -16.201 1.071 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.401 0.946 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.468 3.750 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.538 3.111 -10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.995 2.814 -10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.926 3.453 -8.745 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.954 0.290 -8.287 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.551 -0.092 -8.167 1.00 0.00 C ATOM 1121 C ASN A 76 -10.651 1.139 -8.145 1.00 0.00 C ATOM 1122 O ASN A 76 -9.617 1.179 -8.813 1.00 0.00 O ATOM 1123 CB ASN A 76 -11.132 -1.032 -9.283 1.00 0.00 C ATOM 1124 CG ASN A 76 -11.947 -2.293 -9.350 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -11.953 -3.103 -8.415 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.570 -2.503 -10.482 1.00 0.00 N ATOM 0 H ASN A 76 -13.584 -0.217 -7.665 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.439 -0.622 -7.221 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.211 -0.508 -10.236 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.083 -1.295 -9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.092 -3.368 -10.624 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.533 -1.802 -11.222 1.00 0.00 H new ATOM 1133 N LYS A 77 -11.052 2.144 -7.373 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.602 3.512 -7.603 1.00 0.00 C ATOM 1135 C LYS A 77 -10.527 4.290 -6.293 1.00 0.00 C ATOM 1136 O LYS A 77 -9.735 5.221 -6.157 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.533 4.224 -8.587 1.00 0.00 C ATOM 1138 CG LYS A 77 -11.104 5.641 -8.946 1.00 0.00 C ATOM 1139 CD LYS A 77 -12.029 6.252 -9.987 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.585 7.658 -10.366 1.00 0.00 C ATOM 1141 NZ LYS A 77 -12.492 8.276 -11.370 1.00 0.00 N ATOM 0 H LYS A 77 -11.688 2.037 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.602 3.469 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.596 3.634 -9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.535 4.258 -8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.102 6.261 -8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.083 5.629 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.046 5.622 -10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.047 6.282 -9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.554 8.282 -9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.572 7.623 -10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.154 9.232 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.502 7.695 -12.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.454 8.333 -10.980 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.357 3.898 -5.330 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.275 4.448 -3.983 1.00 0.00 C ATOM 1157 C ARG A 78 -11.429 3.347 -2.937 1.00 0.00 C ATOM 1158 O ARG A 78 -12.402 2.595 -2.953 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.273 5.576 -3.761 1.00 0.00 C ATOM 1160 CG ARG A 78 -11.985 6.847 -4.542 1.00 0.00 C ATOM 1161 CD ARG A 78 -12.921 7.965 -4.259 1.00 0.00 C ATOM 1162 NE ARG A 78 -12.688 9.163 -5.052 1.00 0.00 N ATOM 1163 CZ ARG A 78 -13.468 10.261 -5.026 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -14.549 10.306 -4.280 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -13.128 11.284 -5.790 1.00 0.00 N ATOM 0 H ARG A 78 -12.092 3.203 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.283 4.885 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.268 5.220 -4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.296 5.817 -2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.969 7.174 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.020 6.620 -5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.941 7.622 -4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.849 8.224 -3.203 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.877 9.172 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.808 9.502 -3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.129 11.145 -4.272 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.296 11.228 -6.377 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.698 12.130 -5.793 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.462 3.262 -2.030 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.345 2.110 -1.144 1.00 0.00 C ATOM 1181 C ILE A 79 -9.849 2.526 0.237 1.00 0.00 C ATOM 1182 O ILE A 79 -8.836 3.214 0.362 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.394 1.046 -1.723 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.383 -0.200 -0.834 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -7.990 1.611 -1.870 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.750 -1.409 -1.485 1.00 0.00 C ATOM 0 H ILE A 79 -9.748 3.977 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.342 1.680 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.754 0.760 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.847 0.027 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.408 -0.444 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.331 0.846 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.012 2.469 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.619 1.923 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.779 -2.252 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.299 -1.664 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.714 -1.185 -1.740 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.569 2.102 1.270 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.186 2.408 2.643 1.00 0.00 C ATOM 1200 C GLU A 80 -10.002 1.129 3.455 1.00 0.00 C ATOM 1201 O GLU A 80 -10.788 0.189 3.340 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.232 3.309 3.305 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.896 3.721 4.731 1.00 0.00 C ATOM 1204 CD GLU A 80 -12.009 4.524 5.343 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -13.085 3.997 5.492 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.754 5.628 5.767 1.00 0.00 O ATOM 0 H GLU A 80 -11.420 1.546 1.183 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.234 2.938 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.355 4.207 2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.191 2.791 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.711 2.832 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.977 4.307 4.736 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.959 1.102 4.277 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.632 -0.084 5.059 1.00 0.00 C ATOM 1215 C TYR A 81 -7.965 0.298 6.376 1.00 0.00 C ATOM 1216 O TYR A 81 -7.514 1.430 6.550 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.722 -1.020 4.258 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.441 -0.371 3.785 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -5.301 -0.386 4.576 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -6.373 0.252 2.547 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -4.128 0.206 4.149 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -5.206 0.845 2.110 1.00 0.00 C ATOM 1223 CZ TYR A 81 -4.084 0.820 2.913 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.918 1.410 2.481 1.00 0.00 O ATOM 0 H TYR A 81 -8.325 1.888 4.419 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.562 -0.606 5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.474 -1.885 4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.271 -1.392 3.393 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.331 -0.869 5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.248 0.273 1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.250 0.189 4.778 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.171 1.326 1.144 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.150 0.939 2.867 1.00 0.00 H new ATOM 1234 N ALA A 82 -7.906 -0.656 7.300 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.266 -0.430 8.591 1.00 0.00 C ATOM 1236 C ALA A 82 -6.032 -1.311 8.752 1.00 0.00 C ATOM 1237 O ALA A 82 -6.066 -2.506 8.453 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.251 -0.686 9.722 1.00 0.00 C ATOM 0 H ALA A 82 -8.293 -1.592 7.179 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.946 0.611 8.633 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.759 -0.513 10.679 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.101 -0.011 9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.600 -1.718 9.674 1.00 0.00 H new ATOM 1244 N PHE A 83 -4.943 -0.715 9.226 1.00 0.00 N ATOM 1245 CA PHE A 83 -3.675 -1.426 9.347 1.00 0.00 C ATOM 1246 C PHE A 83 -3.208 -1.458 10.799 1.00 0.00 C ATOM 1247 O PHE A 83 -2.648 -0.486 11.304 1.00 0.00 O ATOM 1248 CB PHE A 83 -2.609 -0.778 8.462 1.00 0.00 C ATOM 1249 CG PHE A 83 -1.304 -1.522 8.441 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -1.165 -2.687 7.700 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -0.214 -1.060 9.162 1.00 0.00 C ATOM 1252 CE1 PHE A 83 0.034 -3.372 7.681 1.00 0.00 C ATOM 1253 CE2 PHE A 83 0.988 -1.743 9.143 1.00 0.00 C ATOM 1254 CZ PHE A 83 1.111 -2.900 8.401 1.00 0.00 C ATOM 0 H PHE A 83 -4.913 0.257 9.532 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.829 -2.452 9.013 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.991 -0.705 7.444 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.431 0.240 8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.004 -3.062 7.132 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.305 -0.156 9.746 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.128 -4.278 7.101 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.830 -1.371 9.708 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.049 -3.435 8.384 1.00 0.00 H new ATOM 1264 N GLY A 84 -3.444 -2.585 11.466 1.00 0.00 N ATOM 1265 CA GLY A 84 -3.118 -2.693 12.876 1.00 0.00 C ATOM 1266 C GLY A 84 -4.008 -1.828 13.745 1.00 0.00 C ATOM 1267 O GLY A 84 -5.233 -1.938 13.697 1.00 0.00 O ATOM 0 H GLY A 84 -3.855 -3.423 11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.211 -3.733 13.188 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.078 -2.406 13.028 1.00 0.00 H new ATOM 1271 N ASP A 85 -3.391 -0.964 14.545 1.00 0.00 N ATOM 1272 CA ASP A 85 -4.134 0.007 15.338 1.00 0.00 C ATOM 1273 C ASP A 85 -4.255 1.336 14.598 1.00 0.00 C ATOM 1274 O ASP A 85 -4.658 2.346 15.175 1.00 0.00 O ATOM 1275 CB ASP A 85 -3.462 0.218 16.697 1.00 0.00 C ATOM 1276 CG ASP A 85 -2.046 0.772 16.619 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -1.558 0.950 15.528 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -1.523 1.158 17.638 1.00 0.00 O ATOM 0 H ASP A 85 -2.379 -0.917 14.661 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.137 -0.388 15.501 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.073 0.899 17.289 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.438 -0.733 17.229 1.00 0.00 H new ATOM 1283 N ARG A 86 -3.903 1.327 13.317 1.00 0.00 N ATOM 1284 CA ARG A 86 -3.936 2.539 12.505 1.00 0.00 C ATOM 1285 C ARG A 86 -4.879 2.371 11.317 1.00 0.00 C ATOM 1286 O ARG A 86 -5.349 1.269 11.034 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.547 2.973 12.062 1.00 0.00 C ATOM 1288 CG ARG A 86 -1.678 3.559 13.164 1.00 0.00 C ATOM 1289 CD ARG A 86 -0.335 4.005 12.713 1.00 0.00 C ATOM 1290 NE ARG A 86 0.606 2.926 12.463 1.00 0.00 N ATOM 1291 CZ ARG A 86 1.012 2.532 11.240 1.00 0.00 C ATOM 1292 NH1 ARG A 86 0.535 3.097 10.154 1.00 0.00 N ATOM 1293 NH2 ARG A 86 1.886 1.544 11.161 1.00 0.00 N ATOM 0 H ARG A 86 -3.591 0.494 12.818 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.325 3.341 13.133 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.033 2.113 11.633 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.649 3.713 11.268 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.199 4.407 13.609 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.555 2.813 13.949 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.448 4.590 11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.086 4.669 13.468 1.00 0.00 H new ATOM 0 HE ARG A 86 0.986 2.432 13.270 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.153 3.846 10.229 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.853 2.787 9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.234 1.102 12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.212 1.223 10.249 1.00 0.00 H new ATOM 1307 N THR A 87 -5.151 3.473 10.625 1.00 0.00 N ATOM 1308 CA THR A 87 -6.037 3.449 9.467 1.00 0.00 C ATOM 1309 C THR A 87 -5.398 4.142 8.270 1.00 0.00 C ATOM 1310 O THR A 87 -4.500 4.969 8.427 1.00 0.00 O ATOM 1311 CB THR A 87 -7.388 4.120 9.777 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.175 5.499 10.106 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.075 3.425 10.942 1.00 0.00 C ATOM 0 H THR A 87 -4.771 4.393 10.846 1.00 0.00 H new ATOM 0 HA THR A 87 -6.210 2.400 9.225 1.00 0.00 H new ATOM 0 HB THR A 87 -8.025 4.043 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.035 5.925 10.301 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.028 3.913 11.146 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.250 2.379 10.690 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.440 3.484 11.826 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.868 3.802 7.075 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.395 4.448 5.857 1.00 0.00 C ATOM 1323 C ALA A 88 -6.498 4.510 4.806 1.00 0.00 C ATOM 1324 O ALA A 88 -7.376 3.647 4.759 1.00 0.00 O ATOM 1325 CB ALA A 88 -4.182 3.714 5.307 1.00 0.00 C ATOM 0 H ALA A 88 -6.576 3.083 6.924 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.106 5.469 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.840 4.208 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.383 3.725 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.453 2.683 5.080 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.448 5.536 3.962 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.411 5.680 2.876 1.00 0.00 C ATOM 1333 C LYS A 89 -6.712 6.069 1.577 1.00 0.00 C ATOM 1334 O LYS A 89 -5.925 7.017 1.543 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.474 6.720 3.237 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.599 6.848 2.220 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.663 7.829 2.691 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.767 7.987 1.656 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.847 8.895 2.131 1.00 0.00 N ATOM 0 H LYS A 89 -5.751 6.279 4.009 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.899 4.717 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.903 6.462 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.991 7.691 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.192 7.181 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.052 5.871 2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.090 7.481 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.205 8.798 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.344 8.379 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.190 7.010 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.580 8.976 1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.268 8.509 3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.448 9.835 2.328 1.00 0.00 H new ATOM 1353 N VAL A 90 -7.004 5.334 0.510 1.00 0.00 N ATOM 1354 CA VAL A 90 -6.295 5.503 -0.753 1.00 0.00 C ATOM 1355 C VAL A 90 -7.253 5.891 -1.874 1.00 0.00 C ATOM 1356 O VAL A 90 -8.359 5.360 -1.969 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.543 4.221 -1.155 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.789 4.432 -2.460 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.586 3.796 -0.051 1.00 0.00 C ATOM 0 H VAL A 90 -7.727 4.615 0.494 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.572 6.305 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.274 3.426 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.263 3.516 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.494 4.691 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.069 5.241 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.063 2.888 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.861 4.590 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.147 3.605 0.864 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.822 6.821 -2.719 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.595 7.203 -3.894 1.00 0.00 C ATOM 1371 C GLU A 91 -6.764 7.052 -5.165 1.00 0.00 C ATOM 1372 O GLU A 91 -5.555 7.286 -5.162 1.00 0.00 O ATOM 1373 CB GLU A 91 -8.099 8.642 -3.761 1.00 0.00 C ATOM 1374 CG GLU A 91 -9.075 8.862 -2.613 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.562 10.283 -2.575 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -9.127 11.062 -3.390 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -10.451 10.565 -1.807 1.00 0.00 O ATOM 0 H GLU A 91 -5.941 7.324 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.454 6.536 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.243 9.303 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.582 8.933 -4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.924 8.187 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.590 8.616 -1.668 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.421 6.658 -6.251 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.748 6.496 -7.536 1.00 0.00 C ATOM 1386 C PHE A 92 -7.329 7.448 -8.578 1.00 0.00 C ATOM 1387 O PHE A 92 -8.539 7.476 -8.803 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.860 5.049 -8.020 1.00 0.00 C ATOM 1389 CG PHE A 92 -6.190 4.055 -7.116 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.848 3.557 -6.001 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.901 3.614 -7.378 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -6.232 2.640 -5.169 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -4.284 2.699 -6.549 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.951 2.211 -5.443 1.00 0.00 C ATOM 0 H PHE A 92 -8.418 6.445 -6.268 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.694 6.739 -7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.914 4.788 -8.114 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.422 4.974 -9.015 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.852 3.889 -5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.374 3.991 -8.242 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.755 2.260 -4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.280 2.365 -6.765 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.470 1.494 -4.794 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.458 8.225 -9.210 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.887 9.211 -10.196 1.00 0.00 C ATOM 1406 C LEU A 93 -6.339 8.874 -11.579 1.00 0.00 C ATOM 1407 O LEU A 93 -5.130 8.728 -11.758 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.440 10.616 -9.770 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.751 11.732 -10.774 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -8.258 11.903 -10.914 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -6.103 13.029 -10.311 1.00 0.00 C ATOM 0 H LEU A 93 -5.450 8.192 -9.058 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.975 9.189 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.917 10.860 -8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.365 10.599 -9.591 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.345 11.466 -11.750 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.469 12.698 -11.629 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.699 10.971 -11.267 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.686 12.163 -9.946 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.325 13.822 -11.025 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.496 13.303 -9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.024 12.893 -10.244 1.00 0.00 H new ATOM 1423 N GLU A 94 -7.238 8.753 -12.552 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.840 8.473 -13.926 1.00 0.00 C ATOM 1425 C GLU A 94 -6.319 9.733 -14.611 1.00 0.00 C ATOM 1426 O GLU A 94 -7.043 10.716 -14.759 1.00 0.00 O ATOM 1427 CB GLU A 94 -8.014 7.890 -14.716 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.668 7.467 -16.137 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.866 6.897 -16.844 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.909 6.827 -16.242 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.768 6.637 -18.020 1.00 0.00 O ATOM 0 H GLU A 94 -8.244 8.844 -12.414 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.035 7.739 -13.900 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.405 7.026 -14.178 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.813 8.630 -14.755 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.290 8.325 -16.692 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.870 6.725 -16.114 1.00 0.00 H new ATOM 1438 N ALA A 95 -5.056 9.695 -15.024 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.459 10.802 -15.759 1.00 0.00 C ATOM 1440 C ALA A 95 -4.277 10.448 -17.233 1.00 0.00 C ATOM 1441 O ALA A 95 -4.254 9.278 -17.615 1.00 0.00 O ATOM 1442 CB ALA A 95 -3.126 11.193 -15.140 1.00 0.00 C ATOM 0 H ALA A 95 -4.427 8.909 -14.862 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.137 11.653 -15.697 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.693 12.021 -15.701 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.281 11.497 -14.105 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.447 10.341 -15.170 1.00 0.00 H new ATOM 1448 N PRO A 96 -4.145 11.479 -18.079 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.907 11.299 -19.514 1.00 0.00 C ATOM 1450 C PRO A 96 -2.564 10.637 -19.801 1.00 0.00 C ATOM 1451 O PRO A 96 -2.400 9.959 -20.814 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.972 12.722 -20.080 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.646 13.598 -18.919 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.247 12.913 -17.720 1.00 0.00 C ATOM 0 HA PRO A 96 -4.638 10.632 -19.970 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.260 12.859 -20.894 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.961 12.945 -20.481 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.568 13.715 -18.805 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.063 14.596 -19.051 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.699 13.142 -16.806 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.281 13.217 -17.556 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.606 10.839 -18.901 1.00 0.00 N ATOM 1463 CA GLN A 97 -0.250 10.345 -19.107 1.00 0.00 C ATOM 1464 C GLN A 97 0.018 9.114 -18.248 1.00 0.00 C ATOM 1465 O GLN A 97 1.033 8.438 -18.412 1.00 0.00 O ATOM 1466 CB GLN A 97 0.774 11.436 -18.786 1.00 0.00 C ATOM 1467 CG GLN A 97 0.688 12.656 -19.687 1.00 0.00 C ATOM 1468 CD GLN A 97 1.720 13.710 -19.335 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.638 13.462 -18.548 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.574 14.898 -19.913 1.00 0.00 N ATOM 0 H GLN A 97 -1.744 11.341 -18.024 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.152 10.065 -20.156 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.639 11.752 -17.752 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.775 11.012 -18.862 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.826 12.349 -20.724 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.309 13.089 -19.613 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.800 15.060 -20.558 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.236 15.648 -19.712 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.899 8.830 -17.328 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.697 7.740 -16.392 1.00 0.00 C ATOM 1481 C GLY A 98 -1.798 7.657 -15.352 1.00 0.00 C ATOM 1482 O GLY A 98 -2.856 8.265 -15.507 1.00 0.00 O ATOM 0 H GLY A 98 -1.778 9.335 -17.214 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.647 6.799 -16.940 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.263 7.868 -15.891 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.549 6.900 -14.288 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.454 6.868 -13.145 1.00 0.00 C ATOM 1488 C VAL A 99 -1.753 7.339 -11.875 1.00 0.00 C ATOM 1489 O VAL A 99 -0.645 6.902 -11.564 1.00 0.00 O ATOM 1490 CB VAL A 99 -3.020 5.454 -12.913 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.815 5.405 -11.616 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.889 5.028 -14.086 1.00 0.00 C ATOM 0 H VAL A 99 -0.729 6.301 -14.194 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.276 7.545 -13.375 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.185 4.758 -12.833 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.208 4.399 -11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.166 5.668 -10.781 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.642 6.113 -11.669 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.280 4.027 -13.904 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.718 5.727 -14.197 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.293 5.025 -14.998 1.00 0.00 H new ATOM 1502 N THR A 100 -2.409 8.235 -11.144 1.00 0.00 N ATOM 1503 CA THR A 100 -1.832 8.797 -9.929 1.00 0.00 C ATOM 1504 C THR A 100 -2.433 8.151 -8.686 1.00 0.00 C ATOM 1505 O THR A 100 -3.651 8.028 -8.565 1.00 0.00 O ATOM 1506 CB THR A 100 -2.045 10.321 -9.855 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.358 10.954 -10.943 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.516 10.871 -8.539 1.00 0.00 C ATOM 0 H THR A 100 -3.339 8.587 -11.372 1.00 0.00 H new ATOM 0 HA THR A 100 -0.762 8.590 -9.964 1.00 0.00 H new ATOM 0 HB THR A 100 -3.113 10.527 -9.920 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.394 10.947 -10.769 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.675 11.949 -8.505 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.043 10.400 -7.710 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.450 10.659 -8.458 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.569 7.737 -7.764 1.00 0.00 N ATOM 1517 CA VAL A 101 -2.011 7.056 -6.552 1.00 0.00 C ATOM 1518 C VAL A 101 -1.787 7.924 -5.321 1.00 0.00 C ATOM 1519 O VAL A 101 -0.657 8.307 -5.015 1.00 0.00 O ATOM 1520 CB VAL A 101 -1.283 5.713 -6.360 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.802 4.997 -5.123 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.451 4.834 -7.591 1.00 0.00 C ATOM 0 H VAL A 101 -0.559 7.861 -7.833 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.078 6.866 -6.670 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.221 5.915 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.276 4.050 -5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.633 5.620 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.870 4.808 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.930 3.889 -7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.511 4.641 -7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.033 5.342 -8.460 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.871 8.234 -4.617 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.795 9.075 -3.428 1.00 0.00 C ATOM 1534 C ARG A 102 -3.109 8.269 -2.171 1.00 0.00 C ATOM 1535 O ARG A 102 -4.194 7.700 -2.041 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.680 10.308 -3.539 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.707 11.188 -2.299 1.00 0.00 C ATOM 1538 CD ARG A 102 -4.566 12.393 -2.424 1.00 0.00 C ATOM 1539 NE ARG A 102 -4.124 13.349 -3.427 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.836 14.417 -3.833 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -6.038 14.651 -3.354 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -4.304 15.213 -4.744 1.00 0.00 N ATOM 0 H ARG A 102 -3.812 7.916 -4.849 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.769 9.435 -3.349 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.341 10.906 -4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.698 9.988 -3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.055 10.594 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.689 11.504 -2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.581 12.076 -2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.609 12.894 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.209 13.200 -3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.444 14.019 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.564 15.465 -3.672 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.378 15.010 -5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.820 16.030 -5.071 1.00 0.00 H new ATOM 1556 N VAL A 103 -2.154 8.225 -1.248 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.313 7.455 -0.021 1.00 0.00 C ATOM 1558 C VAL A 103 -2.229 8.354 1.208 1.00 0.00 C ATOM 1559 O VAL A 103 -1.254 9.083 1.390 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.250 6.347 0.092 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.433 5.561 1.382 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.319 5.418 -1.110 1.00 0.00 C ATOM 0 H VAL A 103 -1.262 8.714 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.300 6.995 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.266 6.816 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.673 4.782 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.335 6.233 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.422 5.104 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.561 4.641 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.306 4.958 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.140 5.988 -2.021 1.00 0.00 H new ATOM 1572 N SER A 104 -3.257 8.298 2.047 1.00 0.00 N ATOM 1573 CA SER A 104 -3.206 8.925 3.363 1.00 0.00 C ATOM 1574 C SER A 104 -3.259 7.876 4.469 1.00 0.00 C ATOM 1575 O SER A 104 -4.159 7.037 4.501 1.00 0.00 O ATOM 1576 CB SER A 104 -4.344 9.915 3.515 1.00 0.00 C ATOM 1577 OG SER A 104 -4.201 11.019 2.663 1.00 0.00 O ATOM 0 H SER A 104 -4.136 7.825 1.839 1.00 0.00 H new ATOM 0 HA SER A 104 -2.261 9.460 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.289 9.415 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.389 10.259 4.548 1.00 0.00 H new ATOM 0 HG SER A 104 -4.955 11.631 2.791 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.287 7.928 5.372 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.165 6.924 6.423 1.00 0.00 C ATOM 1585 C PHE A 105 -1.669 7.552 7.722 1.00 0.00 C ATOM 1586 O PHE A 105 -1.057 8.620 7.714 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.220 5.802 5.985 1.00 0.00 C ATOM 1588 CG PHE A 105 0.203 6.246 5.799 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.615 6.823 4.607 1.00 0.00 C ATOM 1590 CD2 PHE A 105 1.132 6.088 6.816 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.923 7.230 4.434 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.442 6.496 6.646 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.837 7.067 5.456 1.00 0.00 C ATOM 0 H PHE A 105 -1.572 8.655 5.398 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.154 6.501 6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.248 5.005 6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.584 5.378 5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.096 6.956 3.805 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.829 5.641 7.751 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.231 7.676 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.156 6.367 7.446 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.860 7.387 5.323 1.00 0.00 H new ATOM 1603 N VAL A 106 -1.943 6.884 8.838 1.00 0.00 N ATOM 1604 CA VAL A 106 -1.507 7.366 10.143 1.00 0.00 C ATOM 1605 C VAL A 106 -0.050 7.005 10.405 1.00 0.00 C ATOM 1606 O VAL A 106 0.377 5.880 10.150 1.00 0.00 O ATOM 1607 CB VAL A 106 -2.380 6.794 11.277 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -1.866 7.260 12.632 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -3.832 7.203 11.090 1.00 0.00 C ATOM 0 H VAL A 106 -2.465 6.008 8.864 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.612 8.451 10.128 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.321 5.706 11.241 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.494 6.847 13.421 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.840 6.919 12.769 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.895 8.349 12.678 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.433 6.790 11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.908 8.290 11.100 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.197 6.822 10.136 1.00 0.00 H new ATOM 1619 N ALA A 107 0.710 7.969 10.917 1.00 0.00 N ATOM 1620 CA ALA A 107 2.112 7.745 11.240 1.00 0.00 C ATOM 1621 C ALA A 107 2.258 6.766 12.401 1.00 0.00 C ATOM 1622 O ALA A 107 1.552 6.868 13.404 1.00 0.00 O ATOM 1623 CB ALA A 107 2.796 9.063 11.571 1.00 0.00 C ATOM 0 H ALA A 107 0.377 8.912 11.116 1.00 0.00 H new ATOM 0 HA ALA A 107 2.594 7.308 10.366 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.843 8.879 11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.732 9.732 10.713 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.304 9.523 12.427 1.00 0.00 H new ATOM 1629 N GLU A 108 3.179 5.816 12.257 1.00 0.00 N ATOM 1630 CA GLU A 108 3.419 4.822 13.295 1.00 0.00 C ATOM 1631 C GLU A 108 4.129 5.448 14.493 1.00 0.00 C ATOM 1632 O GLU A 108 5.167 6.092 14.346 1.00 0.00 O ATOM 1633 CB GLU A 108 4.242 3.657 12.742 1.00 0.00 C ATOM 1634 CG GLU A 108 4.640 2.619 13.782 1.00 0.00 C ATOM 1635 CD GLU A 108 3.441 2.107 14.531 1.00 0.00 C ATOM 1636 OE1 GLU A 108 2.597 1.499 13.918 1.00 0.00 O ATOM 1637 OE2 GLU A 108 3.422 2.227 15.733 1.00 0.00 O ATOM 0 H GLU A 108 3.770 5.715 11.432 1.00 0.00 H new ATOM 0 HA GLU A 108 2.454 4.441 13.628 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.670 3.165 11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.145 4.054 12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.148 1.788 13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.349 3.058 14.484 1.00 0.00 H new ATOM 1644 N THR A 109 3.560 5.253 15.679 1.00 0.00 N ATOM 1645 CA THR A 109 4.091 5.865 16.890 1.00 0.00 C ATOM 1646 C THR A 109 5.457 5.289 17.244 1.00 0.00 C ATOM 1647 O THR A 109 6.286 5.965 17.852 1.00 0.00 O ATOM 1648 CB THR A 109 3.138 5.674 18.084 1.00 0.00 C ATOM 1649 OG1 THR A 109 2.960 4.273 18.337 1.00 0.00 O ATOM 1650 CG2 THR A 109 1.786 6.309 17.797 1.00 0.00 C ATOM 0 H THR A 109 2.732 4.676 15.826 1.00 0.00 H new ATOM 0 HA THR A 109 4.192 6.931 16.686 1.00 0.00 H new ATOM 0 HB THR A 109 3.575 6.157 18.958 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.355 4.152 19.098 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.127 6.163 18.653 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.916 7.376 17.617 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.345 5.843 16.916 1.00 0.00 H new ATOM 1658 N GLU A 110 5.684 4.038 16.859 1.00 0.00 N ATOM 1659 CA GLU A 110 6.937 3.358 17.171 1.00 0.00 C ATOM 1660 C GLU A 110 8.088 3.934 16.352 1.00 0.00 C ATOM 1661 O GLU A 110 9.257 3.740 16.682 1.00 0.00 O ATOM 1662 CB GLU A 110 6.809 1.854 16.920 1.00 0.00 C ATOM 1663 CG GLU A 110 5.902 1.127 17.903 1.00 0.00 C ATOM 1664 CD GLU A 110 5.769 -0.328 17.550 1.00 0.00 C ATOM 1665 OE1 GLU A 110 6.342 -0.736 16.569 1.00 0.00 O ATOM 1666 OE2 GLU A 110 5.187 -1.054 18.320 1.00 0.00 O ATOM 0 H GLU A 110 5.018 3.474 16.331 1.00 0.00 H new ATOM 0 HA GLU A 110 7.154 3.519 18.227 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.429 1.698 15.910 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.802 1.406 16.960 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.304 1.223 18.912 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.917 1.594 17.906 1.00 0.00 H new ATOM 1673 N TYR A 111 7.746 4.641 15.280 1.00 0.00 N ATOM 1674 CA TYR A 111 8.750 5.206 14.386 1.00 0.00 C ATOM 1675 C TYR A 111 8.496 6.690 14.149 1.00 0.00 C ATOM 1676 O TYR A 111 7.365 7.172 14.221 1.00 0.00 O ATOM 1677 CB TYR A 111 8.765 4.454 13.052 1.00 0.00 C ATOM 1678 CG TYR A 111 9.186 3.006 13.170 1.00 0.00 C ATOM 1679 CD1 TYR A 111 8.250 2.007 13.392 1.00 0.00 C ATOM 1680 CD2 TYR A 111 10.520 2.642 13.055 1.00 0.00 C ATOM 1681 CE1 TYR A 111 8.630 0.683 13.501 1.00 0.00 C ATOM 1682 CE2 TYR A 111 10.911 1.322 13.161 1.00 0.00 C ATOM 1683 CZ TYR A 111 9.963 0.345 13.384 1.00 0.00 C ATOM 1684 OH TYR A 111 10.348 -0.973 13.489 1.00 0.00 O ATOM 0 H TYR A 111 6.782 4.836 15.009 1.00 0.00 H new ATOM 0 HA TYR A 111 9.724 5.096 14.863 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.770 4.498 12.610 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.441 4.964 12.366 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.206 2.268 13.481 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.265 3.404 12.880 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.889 -0.082 13.677 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.954 1.056 13.070 1.00 0.00 H new ATOM 0 HH TYR A 111 11.320 -1.039 13.382 1.00 0.00 H new ATOM 1694 N PRO A 112 9.573 7.435 13.859 1.00 0.00 N ATOM 1695 CA PRO A 112 9.484 8.862 13.527 1.00 0.00 C ATOM 1696 C PRO A 112 8.523 9.130 12.374 1.00 0.00 C ATOM 1697 O PRO A 112 8.448 8.353 11.422 1.00 0.00 O ATOM 1698 CB PRO A 112 10.922 9.248 13.169 1.00 0.00 C ATOM 1699 CG PRO A 112 11.764 8.250 13.889 1.00 0.00 C ATOM 1700 CD PRO A 112 10.987 6.962 13.838 1.00 0.00 C ATOM 0 HA PRO A 112 9.085 9.451 14.353 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.089 9.206 12.093 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.151 10.265 13.487 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.738 8.141 13.412 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.946 8.559 14.918 1.00 0.00 H new ATOM 0 HD2 PRO A 112 11.210 6.389 12.938 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.212 6.319 14.689 1.00 0.00 H new ATOM 1708 N VAL A 113 7.789 10.233 12.467 1.00 0.00 N ATOM 1709 CA VAL A 113 6.827 10.601 11.435 1.00 0.00 C ATOM 1710 C VAL A 113 7.502 10.731 10.075 1.00 0.00 C ATOM 1711 O VAL A 113 7.007 10.213 9.073 1.00 0.00 O ATOM 1712 CB VAL A 113 6.113 11.924 11.773 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.264 12.386 10.597 1.00 0.00 C ATOM 1714 CG2 VAL A 113 5.254 11.762 13.018 1.00 0.00 C ATOM 0 H VAL A 113 7.842 10.888 13.247 1.00 0.00 H new ATOM 0 HA VAL A 113 6.088 9.801 11.395 1.00 0.00 H new ATOM 0 HB VAL A 113 6.869 12.683 11.972 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.767 13.322 10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.901 12.540 9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.515 11.628 10.369 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.757 12.706 13.242 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.505 10.989 12.845 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.884 11.475 13.860 1.00 0.00 H new ATOM 1724 N GLU A 114 8.635 11.424 10.046 1.00 0.00 N ATOM 1725 CA GLU A 114 9.387 11.609 8.810 1.00 0.00 C ATOM 1726 C GLU A 114 9.923 10.276 8.297 1.00 0.00 C ATOM 1727 O GLU A 114 9.903 10.008 7.095 1.00 0.00 O ATOM 1728 CB GLU A 114 10.537 12.595 9.023 1.00 0.00 C ATOM 1729 CG GLU A 114 10.098 14.038 9.231 1.00 0.00 C ATOM 1730 CD GLU A 114 11.268 14.924 9.554 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.356 14.415 9.684 1.00 0.00 O ATOM 1732 OE2 GLU A 114 11.098 16.120 9.561 1.00 0.00 O ATOM 0 H GLU A 114 9.053 11.867 10.864 1.00 0.00 H new ATOM 0 HA GLU A 114 8.710 12.019 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.117 12.276 9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.202 12.551 8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.601 14.402 8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.369 14.085 10.040 1.00 0.00 H new ATOM 1739 N GLN A 115 10.402 9.443 9.215 1.00 0.00 N ATOM 1740 CA GLN A 115 10.950 8.141 8.855 1.00 0.00 C ATOM 1741 C GLN A 115 9.869 7.238 8.272 1.00 0.00 C ATOM 1742 O GLN A 115 10.120 6.480 7.335 1.00 0.00 O ATOM 1743 CB GLN A 115 11.586 7.469 10.074 1.00 0.00 C ATOM 1744 CG GLN A 115 12.286 6.157 9.767 1.00 0.00 C ATOM 1745 CD GLN A 115 13.462 6.336 8.826 1.00 0.00 C ATOM 1746 OE1 GLN A 115 14.279 7.245 8.996 1.00 0.00 O ATOM 1747 NE2 GLN A 115 13.553 5.469 7.823 1.00 0.00 N ATOM 0 H GLN A 115 10.422 9.647 10.214 1.00 0.00 H new ATOM 0 HA GLN A 115 11.717 8.300 8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 115 12.305 8.156 10.520 1.00 0.00 H new ATOM 0 HB3 GLN A 115 10.812 7.289 10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 115 12.633 5.707 10.697 1.00 0.00 H new ATOM 0 HG3 GLN A 115 11.572 5.462 9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 115 12.855 4.733 7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 115 14.321 5.540 7.156 1.00 0.00 H new ATOM 1756 N GLN A 116 8.667 7.324 8.833 1.00 0.00 N ATOM 1757 CA GLN A 116 7.543 6.527 8.356 1.00 0.00 C ATOM 1758 C GLN A 116 7.094 6.993 6.974 1.00 0.00 C ATOM 1759 O GLN A 116 6.744 6.179 6.120 1.00 0.00 O ATOM 1760 CB GLN A 116 6.371 6.607 9.337 1.00 0.00 C ATOM 1761 CG GLN A 116 5.209 5.690 8.996 1.00 0.00 C ATOM 1762 CD GLN A 116 5.604 4.225 9.013 1.00 0.00 C ATOM 1763 OE1 GLN A 116 6.303 3.767 9.921 1.00 0.00 O ATOM 1764 NE2 GLN A 116 5.162 3.483 8.005 1.00 0.00 N ATOM 0 H GLN A 116 8.447 7.937 9.618 1.00 0.00 H new ATOM 0 HA GLN A 116 7.874 5.491 8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.731 6.362 10.336 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.010 7.635 9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.400 5.854 9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.823 5.948 8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 116 4.586 3.904 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.398 2.492 7.960 1.00 0.00 H new ATOM 1773 N GLN A 117 7.105 8.305 6.765 1.00 0.00 N ATOM 1774 CA GLN A 117 6.776 8.873 5.464 1.00 0.00 C ATOM 1775 C GLN A 117 7.747 8.382 4.395 1.00 0.00 C ATOM 1776 O GLN A 117 7.333 7.948 3.319 1.00 0.00 O ATOM 1777 CB GLN A 117 6.800 10.403 5.523 1.00 0.00 C ATOM 1778 CG GLN A 117 6.485 11.083 4.202 1.00 0.00 C ATOM 1779 CD GLN A 117 6.495 12.595 4.313 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.820 13.152 5.365 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.135 13.269 3.227 1.00 0.00 N ATOM 0 H GLN A 117 7.338 8.994 7.480 1.00 0.00 H new ATOM 0 HA GLN A 117 5.771 8.544 5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.082 10.738 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.785 10.727 5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.214 10.772 3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.507 10.754 3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.874 12.767 2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.120 14.289 3.241 1.00 0.00 H new ATOM 1790 N GLN A 118 9.039 8.454 4.698 1.00 0.00 N ATOM 1791 CA GLN A 118 10.069 8.057 3.746 1.00 0.00 C ATOM 1792 C GLN A 118 10.030 6.552 3.497 1.00 0.00 C ATOM 1793 O GLN A 118 10.206 6.094 2.368 1.00 0.00 O ATOM 1794 CB GLN A 118 11.455 8.463 4.254 1.00 0.00 C ATOM 1795 CG GLN A 118 11.716 9.959 4.220 1.00 0.00 C ATOM 1796 CD GLN A 118 13.053 10.326 4.837 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.759 9.472 5.378 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.406 11.605 4.760 1.00 0.00 N ATOM 0 H GLN A 118 9.397 8.783 5.595 1.00 0.00 H new ATOM 0 HA GLN A 118 9.871 8.571 2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.573 8.108 5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.212 7.959 3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.687 10.307 3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.918 10.477 4.753 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.790 12.277 4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.293 11.914 5.158 1.00 0.00 H new ATOM 1807 N GLY A 119 9.798 5.787 4.558 1.00 0.00 N ATOM 1808 CA GLY A 119 9.716 4.343 4.429 1.00 0.00 C ATOM 1809 C GLY A 119 8.561 3.903 3.552 1.00 0.00 C ATOM 1810 O GLY A 119 8.724 3.040 2.689 1.00 0.00 O ATOM 0 H GLY A 119 9.665 6.141 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.649 3.965 4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.606 3.899 5.418 1.00 0.00 H new ATOM 1814 N TRP A 120 7.394 4.495 3.773 1.00 0.00 N ATOM 1815 CA TRP A 120 6.225 4.211 2.949 1.00 0.00 C ATOM 1816 C TRP A 120 6.437 4.692 1.518 1.00 0.00 C ATOM 1817 O TRP A 120 6.005 4.043 0.566 1.00 0.00 O ATOM 1818 CB TRP A 120 4.977 4.867 3.545 1.00 0.00 C ATOM 1819 CG TRP A 120 3.715 4.526 2.815 1.00 0.00 C ATOM 1820 CD1 TRP A 120 3.010 5.341 1.980 1.00 0.00 C ATOM 1821 CD2 TRP A 120 3.006 3.280 2.852 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.907 4.683 1.496 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.883 3.414 2.016 1.00 0.00 C ATOM 1824 CE3 TRP A 120 3.216 2.064 3.514 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 0.975 2.385 1.823 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 2.305 1.032 3.319 1.00 0.00 C ATOM 1827 CH2 TRP A 120 1.217 1.189 2.498 1.00 0.00 C ATOM 0 H TRP A 120 7.231 5.175 4.516 1.00 0.00 H new ATOM 0 HA TRP A 120 6.081 3.131 2.931 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.878 4.562 4.587 1.00 0.00 H new ATOM 0 HB3 TRP A 120 5.108 5.949 3.541 1.00 0.00 H new ATOM 0 HD1 TRP A 120 3.280 6.357 1.735 1.00 0.00 H new ATOM 0 HE1 TRP A 120 1.217 5.074 0.854 1.00 0.00 H new ATOM 0 HE3 TRP A 120 4.069 1.930 4.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 0.117 2.504 1.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 2.457 0.089 3.823 1.00 0.00 H new ATOM 0 HH2 TRP A 120 0.530 0.365 2.371 1.00 0.00 H new ATOM 1838 N GLN A 121 7.107 5.831 1.374 1.00 0.00 N ATOM 1839 CA GLN A 121 7.420 6.370 0.056 1.00 0.00 C ATOM 1840 C GLN A 121 8.321 5.416 -0.722 1.00 0.00 C ATOM 1841 O GLN A 121 8.153 5.233 -1.927 1.00 0.00 O ATOM 1842 CB GLN A 121 8.099 7.737 0.182 1.00 0.00 C ATOM 1843 CG GLN A 121 8.452 8.381 -1.148 1.00 0.00 C ATOM 1844 CD GLN A 121 7.224 8.707 -1.977 1.00 0.00 C ATOM 1845 OE1 GLN A 121 6.287 9.351 -1.496 1.00 0.00 O ATOM 1846 NE2 GLN A 121 7.221 8.262 -3.227 1.00 0.00 N ATOM 0 H GLN A 121 7.443 6.398 2.153 1.00 0.00 H new ATOM 0 HA GLN A 121 6.483 6.487 -0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.441 8.408 0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.009 7.626 0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.018 9.295 -0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.100 7.711 -1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.018 7.734 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 121 6.422 8.448 -3.833 1.00 0.00 H new ATOM 1855 N ALA A 122 9.276 4.809 -0.024 1.00 0.00 N ATOM 1856 CA ALA A 122 10.153 3.817 -0.633 1.00 0.00 C ATOM 1857 C ALA A 122 9.360 2.615 -1.133 1.00 0.00 C ATOM 1858 O ALA A 122 9.697 2.017 -2.155 1.00 0.00 O ATOM 1859 CB ALA A 122 11.217 3.373 0.361 1.00 0.00 C ATOM 0 H ALA A 122 9.462 4.987 0.963 1.00 0.00 H new ATOM 0 HA ALA A 122 10.642 4.279 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.865 2.632 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.811 4.234 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.737 2.935 1.236 1.00 0.00 H new ATOM 1865 N ILE A 123 8.302 2.266 -0.406 1.00 0.00 N ATOM 1866 CA ILE A 123 7.412 1.188 -0.822 1.00 0.00 C ATOM 1867 C ILE A 123 6.683 1.544 -2.113 1.00 0.00 C ATOM 1868 O ILE A 123 6.599 0.733 -3.035 1.00 0.00 O ATOM 1869 CB ILE A 123 6.378 0.858 0.269 1.00 0.00 C ATOM 1870 CG1 ILE A 123 7.069 0.254 1.495 1.00 0.00 C ATOM 1871 CG2 ILE A 123 5.320 -0.092 -0.271 1.00 0.00 C ATOM 1872 CD1 ILE A 123 6.177 0.153 2.711 1.00 0.00 C ATOM 0 H ILE A 123 8.041 2.714 0.473 1.00 0.00 H new ATOM 0 HA ILE A 123 8.036 0.311 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 123 5.887 1.783 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.435 -0.741 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.940 0.860 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.597 -0.315 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.809 0.373 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.795 -1.016 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.737 -0.284 3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.831 1.148 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.318 -0.478 2.481 1.00 0.00 H new ATOM 1884 N LEU A 124 6.157 2.763 -2.171 1.00 0.00 N ATOM 1885 CA LEU A 124 5.501 3.256 -3.378 1.00 0.00 C ATOM 1886 C LEU A 124 6.506 3.425 -4.513 1.00 0.00 C ATOM 1887 O LEU A 124 6.172 3.239 -5.683 1.00 0.00 O ATOM 1888 CB LEU A 124 4.789 4.584 -3.091 1.00 0.00 C ATOM 1889 CG LEU A 124 3.565 4.483 -2.171 1.00 0.00 C ATOM 1890 CD1 LEU A 124 3.038 5.874 -1.849 1.00 0.00 C ATOM 1891 CD2 LEU A 124 2.491 3.641 -2.844 1.00 0.00 C ATOM 0 H LEU A 124 6.172 3.428 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 124 4.759 2.520 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.505 5.272 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 124 4.476 5.022 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 124 3.852 4.003 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.169 5.792 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.816 6.451 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.751 6.377 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.622 3.570 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 124 2.200 4.107 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.881 2.642 -3.039 1.00 0.00 H new ATOM 1903 N ASN A 125 7.737 3.776 -4.159 1.00 0.00 N ATOM 1904 CA ASN A 125 8.817 3.870 -5.135 1.00 0.00 C ATOM 1905 C ASN A 125 9.126 2.502 -5.737 1.00 0.00 C ATOM 1906 O ASN A 125 9.419 2.388 -6.927 1.00 0.00 O ATOM 1907 CB ASN A 125 10.069 4.472 -4.526 1.00 0.00 C ATOM 1908 CG ASN A 125 9.948 5.940 -4.222 1.00 0.00 C ATOM 1909 OD1 ASN A 125 9.050 6.626 -4.722 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.896 6.441 -3.470 1.00 0.00 N ATOM 0 H ASN A 125 8.012 4.000 -3.203 1.00 0.00 H new ATOM 0 HA ASN A 125 8.479 4.534 -5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.308 3.938 -3.606 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.904 4.319 -5.209 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.916 7.442 -3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.615 5.831 -3.081 1.00 0.00 H new ATOM 1917 N ASN A 126 9.056 1.467 -4.906 1.00 0.00 N ATOM 1918 CA ASN A 126 9.195 0.096 -5.381 1.00 0.00 C ATOM 1919 C ASN A 126 8.016 -0.297 -6.265 1.00 0.00 C ATOM 1920 O ASN A 126 8.175 -1.025 -7.246 1.00 0.00 O ATOM 1921 CB ASN A 126 9.337 -0.882 -4.229 1.00 0.00 C ATOM 1922 CG ASN A 126 10.679 -0.829 -3.552 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.691 -0.466 -4.163 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.708 -1.266 -2.319 1.00 0.00 N ATOM 0 H ASN A 126 8.904 1.552 -3.901 1.00 0.00 H new ATOM 0 HA ASN A 126 10.107 0.051 -5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.560 -0.677 -3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.167 -1.893 -4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.595 -1.319 -1.817 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.844 -1.554 -1.859 1.00 0.00 H new ATOM 1931 N PHE A 127 6.831 0.192 -5.913 1.00 0.00 N ATOM 1932 CA PHE A 127 5.646 -0.005 -6.739 1.00 0.00 C ATOM 1933 C PHE A 127 5.830 0.631 -8.114 1.00 0.00 C ATOM 1934 O PHE A 127 5.506 0.029 -9.138 1.00 0.00 O ATOM 1935 CB PHE A 127 4.410 0.575 -6.049 1.00 0.00 C ATOM 1936 CG PHE A 127 3.146 0.431 -6.847 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.116 -0.357 -7.988 1.00 0.00 C ATOM 1938 CD2 PHE A 127 1.985 1.082 -6.460 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.953 -0.491 -8.724 1.00 0.00 C ATOM 1940 CE2 PHE A 127 0.821 0.950 -7.193 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.806 0.162 -8.326 1.00 0.00 C ATOM 0 H PHE A 127 6.666 0.728 -5.061 1.00 0.00 H new ATOM 0 HA PHE A 127 5.502 -1.077 -6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.278 0.082 -5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.582 1.632 -5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.011 -0.872 -8.305 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.990 1.700 -5.574 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.943 -1.107 -9.611 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.076 1.463 -6.880 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.103 0.057 -8.900 1.00 0.00 H new ATOM 1951 N LYS A 128 6.352 1.852 -8.129 1.00 0.00 N ATOM 1952 CA LYS A 128 6.672 2.532 -9.378 1.00 0.00 C ATOM 1953 C LYS A 128 7.654 1.713 -10.209 1.00 0.00 C ATOM 1954 O LYS A 128 7.467 1.536 -11.412 1.00 0.00 O ATOM 1955 CB LYS A 128 7.246 3.923 -9.100 1.00 0.00 C ATOM 1956 CG LYS A 128 7.605 4.716 -10.350 1.00 0.00 C ATOM 1957 CD LYS A 128 8.062 6.124 -10.000 1.00 0.00 C ATOM 1958 CE LYS A 128 8.373 6.934 -11.250 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.706 6.593 -11.817 1.00 0.00 N ATOM 0 H LYS A 128 6.563 2.392 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 128 5.749 2.641 -9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.521 4.493 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.138 3.818 -8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.395 4.200 -10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.741 4.766 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.286 6.627 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.948 6.074 -9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.603 6.754 -12.000 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.342 7.997 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.938 7.257 -12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.428 6.659 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.685 5.624 -12.194 1.00 0.00 H new ATOM 1973 N ARG A 129 8.701 1.215 -9.559 1.00 0.00 N ATOM 1974 CA ARG A 129 9.687 0.377 -10.227 1.00 0.00 C ATOM 1975 C ARG A 129 9.048 -0.907 -10.747 1.00 0.00 C ATOM 1976 O ARG A 129 9.427 -1.419 -11.801 1.00 0.00 O ATOM 1977 CB ARG A 129 10.890 0.084 -9.341 1.00 0.00 C ATOM 1978 CG ARG A 129 11.813 1.269 -9.105 1.00 0.00 C ATOM 1979 CD ARG A 129 12.946 0.989 -8.186 1.00 0.00 C ATOM 1980 NE ARG A 129 13.826 2.123 -7.951 1.00 0.00 N ATOM 1981 CZ ARG A 129 14.866 2.119 -7.094 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.136 1.062 -6.361 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.593 3.218 -6.992 1.00 0.00 N ATOM 0 H ARG A 129 8.887 1.378 -8.570 1.00 0.00 H new ATOM 0 HA ARG A 129 10.061 0.938 -11.083 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.533 -0.278 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.467 -0.724 -9.791 1.00 0.00 H new ATOM 0 HG2 ARG A 129 12.212 1.600 -10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.228 2.095 -8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.547 0.651 -7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.534 0.167 -8.594 1.00 0.00 H new ATOM 0 HE ARG A 129 13.643 2.981 -8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 129 14.554 0.227 -6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 129 15.927 1.076 -5.717 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.360 4.037 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.387 3.247 -6.352 1.00 0.00 H new ATOM 1997 N HIS A 130 8.074 -1.422 -10.002 1.00 0.00 N ATOM 1998 CA HIS A 130 7.305 -2.580 -10.444 1.00 0.00 C ATOM 1999 C HIS A 130 6.562 -2.278 -11.740 1.00 0.00 C ATOM 2000 O HIS A 130 6.561 -3.084 -12.670 1.00 0.00 O ATOM 2001 CB HIS A 130 6.315 -3.019 -9.360 1.00 0.00 C ATOM 2002 CG HIS A 130 5.501 -4.218 -9.738 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.021 -5.495 -9.752 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.207 -4.334 -10.117 1.00 0.00 C ATOM 2005 CE1 HIS A 130 5.080 -6.345 -10.123 1.00 0.00 C ATOM 2006 NE2 HIS A 130 3.971 -5.666 -10.350 1.00 0.00 N ATOM 0 H HIS A 130 7.799 -1.056 -9.091 1.00 0.00 H new ATOM 0 HA HIS A 130 8.005 -3.395 -10.629 1.00 0.00 H new ATOM 0 HB2 HIS A 130 6.865 -3.238 -8.445 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.643 -2.190 -9.137 1.00 0.00 H new ATOM 0 HD1 HIS A 130 6.981 -5.744 -9.514 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.494 -3.529 -10.217 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.198 -7.414 -10.223 1.00 0.00 H new ATOM 2013 N VAL A 131 5.930 -1.110 -11.797 1.00 0.00 N ATOM 2014 CA VAL A 131 5.282 -0.649 -13.019 1.00 0.00 C ATOM 2015 C VAL A 131 6.291 -0.482 -14.148 1.00 0.00 C ATOM 2016 O VAL A 131 6.014 -0.828 -15.296 1.00 0.00 O ATOM 2017 CB VAL A 131 4.546 0.687 -12.799 1.00 0.00 C ATOM 2018 CG1 VAL A 131 4.066 1.255 -14.125 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.376 0.500 -11.845 1.00 0.00 C ATOM 0 H VAL A 131 5.853 -0.465 -11.010 1.00 0.00 H new ATOM 0 HA VAL A 131 4.555 -1.412 -13.296 1.00 0.00 H new ATOM 0 HB VAL A 131 5.244 1.395 -12.353 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.549 2.198 -13.951 1.00 0.00 H new ATOM 0 HG12 VAL A 131 4.921 1.426 -14.779 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.383 0.549 -14.598 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.868 1.454 -11.701 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.677 -0.224 -12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.744 0.136 -10.885 1.00 0.00 H new ATOM 2029 N GLU A 132 7.464 0.048 -13.815 1.00 0.00 N ATOM 2030 CA GLU A 132 8.521 0.244 -14.799 1.00 0.00 C ATOM 2031 C GLU A 132 8.972 -1.089 -15.387 1.00 0.00 C ATOM 2032 O GLU A 132 9.365 -1.167 -16.550 1.00 0.00 O ATOM 2033 CB GLU A 132 9.709 0.976 -14.172 1.00 0.00 C ATOM 2034 CG GLU A 132 9.460 2.451 -13.887 1.00 0.00 C ATOM 2035 CD GLU A 132 10.608 3.062 -13.132 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.516 2.345 -12.786 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.633 4.263 -13.000 1.00 0.00 O ATOM 0 H GLU A 132 7.706 0.349 -12.871 1.00 0.00 H new ATOM 0 HA GLU A 132 8.120 0.856 -15.607 1.00 0.00 H new ATOM 0 HB2 GLU A 132 9.976 0.478 -13.240 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.567 0.887 -14.838 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.313 2.985 -14.826 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.542 2.562 -13.310 1.00 0.00 H new ATOM 2044 N SER A 133 8.913 -2.139 -14.572 1.00 0.00 N ATOM 2045 CA SER A 133 9.334 -3.466 -15.003 1.00 0.00 C ATOM 2046 C SER A 133 8.313 -4.074 -15.962 1.00 0.00 C ATOM 2047 O SER A 133 8.591 -5.066 -16.636 1.00 0.00 O ATOM 2048 CB SER A 133 9.537 -4.367 -13.801 1.00 0.00 C ATOM 2049 OG SER A 133 8.323 -4.723 -13.199 1.00 0.00 O ATOM 0 H SER A 133 8.578 -2.095 -13.610 1.00 0.00 H new ATOM 0 HA SER A 133 10.282 -3.372 -15.533 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.066 -5.268 -14.109 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.168 -3.860 -13.071 1.00 0.00 H new ATOM 0 HG SER A 133 7.784 -3.918 -13.049 1.00 0.00 H new ATOM 2055 N HIS A 134 7.129 -3.471 -16.014 1.00 0.00 N ATOM 2056 CA HIS A 134 6.090 -3.907 -16.942 1.00 0.00 C ATOM 2057 C HIS A 134 6.176 -3.133 -18.254 1.00 0.00 C ATOM 2058 O HIS A 134 5.291 -3.237 -19.106 1.00 0.00 O ATOM 2059 CB HIS A 134 4.701 -3.737 -16.319 1.00 0.00 C ATOM 2060 CG HIS A 134 4.428 -4.683 -15.190 1.00 0.00 C ATOM 2061 ND1 HIS A 134 4.323 -6.045 -15.370 1.00 0.00 N ATOM 2062 CD2 HIS A 134 4.237 -4.461 -13.869 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.081 -6.623 -14.206 1.00 0.00 C ATOM 2064 NE2 HIS A 134 4.024 -5.684 -13.280 1.00 0.00 N ATOM 0 H HIS A 134 6.865 -2.681 -15.426 1.00 0.00 H new ATOM 0 HA HIS A 134 6.250 -4.964 -17.152 1.00 0.00 H new ATOM 0 HB2 HIS A 134 4.597 -2.714 -15.957 1.00 0.00 H new ATOM 0 HB3 HIS A 134 3.946 -3.880 -17.092 1.00 0.00 H new ATOM 0 HD2 HIS A 134 4.250 -3.503 -13.371 1.00 0.00 H new ATOM 0 HE1 HIS A 134 3.952 -7.682 -14.041 1.00 0.00 H new ATOM 0 HE2 HIS A 134 3.850 -5.841 -12.287 1.00 0.00 H new ATOM 2071 N LEU A 135 7.243 -2.358 -18.410 1.00 0.00 N ATOM 2072 CA LEU A 135 7.513 -1.674 -19.669 1.00 0.00 C ATOM 2073 C LEU A 135 8.230 -2.596 -20.648 1.00 0.00 C ATOM 2074 O LEU A 135 8.119 -3.818 -20.559 1.00 0.00 O ATOM 2075 CB LEU A 135 8.344 -0.408 -19.417 1.00 0.00 C ATOM 2076 CG LEU A 135 7.709 0.611 -18.463 1.00 0.00 C ATOM 2077 CD1 LEU A 135 8.664 1.774 -18.229 1.00 0.00 C ATOM 2078 CD2 LEU A 135 6.393 1.103 -19.046 1.00 0.00 C ATOM 0 H LEU A 135 7.935 -2.188 -17.680 1.00 0.00 H new ATOM 0 HA LEU A 135 6.560 -1.386 -20.113 1.00 0.00 H new ATOM 0 HB2 LEU A 135 9.313 -0.703 -19.015 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.531 0.081 -20.373 1.00 0.00 H new ATOM 0 HG LEU A 135 7.511 0.135 -17.503 1.00 0.00 H new ATOM 0 HD11 LEU A 135 8.204 2.492 -17.550 1.00 0.00 H new ATOM 0 HD12 LEU A 135 9.590 1.402 -17.790 1.00 0.00 H new ATOM 0 HD13 LEU A 135 8.883 2.262 -19.179 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.942 1.827 -18.367 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.577 1.575 -20.011 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.716 0.259 -19.178 1.00 0.00 H new ATOM 2090 N GLU A 136 8.970 -2.001 -21.580 1.00 0.00 N ATOM 2091 CA GLU A 136 9.648 -2.768 -22.619 1.00 0.00 C ATOM 2092 C GLU A 136 10.782 -3.600 -22.029 1.00 0.00 C ATOM 2093 O GLU A 136 11.956 -3.257 -22.167 1.00 0.00 O ATOM 2094 CB GLU A 136 10.188 -1.838 -23.708 1.00 0.00 C ATOM 2095 CG GLU A 136 10.685 -2.552 -24.956 1.00 0.00 C ATOM 2096 CD GLU A 136 11.096 -1.572 -26.020 1.00 0.00 C ATOM 2097 OE1 GLU A 136 10.893 -0.397 -25.829 1.00 0.00 O ATOM 2098 OE2 GLU A 136 11.715 -1.985 -26.972 1.00 0.00 O ATOM 0 H GLU A 136 9.115 -0.993 -21.636 1.00 0.00 H new ATOM 0 HA GLU A 136 8.920 -3.446 -23.066 1.00 0.00 H new ATOM 0 HB2 GLU A 136 9.402 -1.138 -23.993 1.00 0.00 H new ATOM 0 HB3 GLU A 136 11.005 -1.248 -23.292 1.00 0.00 H new ATOM 0 HG2 GLU A 136 11.531 -3.190 -24.700 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.900 -3.203 -25.342 1.00 0.00 H new ATOM 2105 N HIS A 137 10.423 -4.697 -21.369 1.00 0.00 N ATOM 2106 CA HIS A 137 11.407 -5.565 -20.736 1.00 0.00 C ATOM 2107 C HIS A 137 12.319 -6.205 -21.778 1.00 0.00 C ATOM 2108 O HIS A 137 11.856 -6.667 -22.823 1.00 0.00 O ATOM 2109 CB HIS A 137 10.717 -6.650 -19.903 1.00 0.00 C ATOM 2110 CG HIS A 137 11.650 -7.405 -19.007 1.00 0.00 C ATOM 2111 ND1 HIS A 137 12.482 -8.402 -19.471 1.00 0.00 N ATOM 2112 CD2 HIS A 137 11.880 -7.309 -17.676 1.00 0.00 C ATOM 2113 CE1 HIS A 137 13.187 -8.887 -18.462 1.00 0.00 C ATOM 2114 NE2 HIS A 137 12.840 -8.241 -17.363 1.00 0.00 N ATOM 0 H HIS A 137 9.457 -5.005 -21.259 1.00 0.00 H new ATOM 0 HA HIS A 137 12.017 -4.951 -20.073 1.00 0.00 H new ATOM 0 HB2 HIS A 137 9.938 -6.189 -19.296 1.00 0.00 H new ATOM 0 HB3 HIS A 137 10.224 -7.353 -20.575 1.00 0.00 H new ATOM 0 HD2 HIS A 137 11.399 -6.628 -16.989 1.00 0.00 H new ATOM 0 HE1 HIS A 137 13.921 -9.677 -18.526 1.00 0.00 H new ATOM 0 HE2 HIS A 137 13.223 -8.407 -16.432 1.00 0.00 H new ATOM 2121 N HIS A 138 13.616 -6.229 -21.490 1.00 0.00 N ATOM 2122 CA HIS A 138 14.586 -6.857 -22.379 1.00 0.00 C ATOM 2123 C HIS A 138 15.184 -8.105 -21.738 1.00 0.00 C ATOM 2124 O HIS A 138 16.282 -8.030 -21.186 1.00 0.00 O ATOM 2125 CB HIS A 138 15.698 -5.871 -22.752 1.00 0.00 C ATOM 2126 CG HIS A 138 15.209 -4.659 -23.483 1.00 0.00 C ATOM 2127 ND1 HIS A 138 15.000 -4.647 -24.845 1.00 0.00 N ATOM 2128 CD2 HIS A 138 14.890 -3.420 -23.042 1.00 0.00 C ATOM 2129 CE1 HIS A 138 14.571 -3.451 -25.210 1.00 0.00 C ATOM 2130 NE2 HIS A 138 14.496 -2.689 -24.135 1.00 0.00 N ATOM 0 H HIS A 138 14.020 -5.820 -20.647 1.00 0.00 H new ATOM 0 HA HIS A 138 14.063 -7.153 -23.288 1.00 0.00 H new ATOM 0 HB2 HIS A 138 16.210 -5.554 -21.843 1.00 0.00 H new ATOM 0 HB3 HIS A 138 16.434 -6.385 -23.370 1.00 0.00 H new ATOM 0 HD2 HIS A 138 14.937 -3.071 -22.021 1.00 0.00 H new ATOM 0 HE1 HIS A 138 14.324 -3.149 -26.217 1.00 0.00 H new ATOM 0 HE2 HIS A 138 14.194 -1.715 -24.119 1.00 0.00 H new TER 2137 HIS A 138