USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 667 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 Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 161:sc= -0.133 (180deg=-0.605) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 29 ASN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.29) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0247 USER MOD Single : A 42 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 44 CYS SG : rot 113:sc= -0.355 USER MOD Single : A 46 SER OG : rot -78:sc= 1.09 USER MOD Single : A 47 THR OG1 : rot -89:sc= 1.23 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0872 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.166 USER MOD Single : A 58 GLN : amide:sc= -0.0309 K(o=-0.031,f=-0.76) USER MOD Single : A 63 ASN : amide:sc= 0.528 K(o=0.53,f=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -3.84! K(o=-3.8!,f=-1.6) USER MOD Single : A 78 CYS SG : rot 78:sc= 1.15 USER MOD Single : A 79 GLN : amide:sc= -0.0032 K(o=-0.0032,f=-0.52) USER MOD Single : A 82 CYS SG : rot -156:sc= -0.279 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 88 LYS NZ :NH3+ -142:sc= -1.82! (180deg=-3.68!) USER MOD Single : A 91 LYS NZ :NH3+ -103:sc= -1.32 (180deg=-3.93!) USER MOD Single : A 93 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.46!) USER MOD Single : A 97 ASN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= -0.0263 (180deg=-0.55) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -1:sc= 0.81 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 24 -14.642 -14.465 -9.724 1.00 0.00 N ATOM 2 CA GLY A 24 -15.875 -14.309 -8.902 1.00 0.00 C ATOM 3 C GLY A 24 -15.721 -14.894 -7.512 1.00 0.00 C ATOM 4 O GLY A 24 -16.613 -15.587 -7.021 1.00 0.00 O ATOM 0 HA2 GLY A 24 -16.124 -13.251 -8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.709 -14.795 -9.408 1.00 0.00 H new ATOM 10 N SER A 25 -14.587 -14.615 -6.879 1.00 0.00 N ATOM 11 CA SER A 25 -14.314 -15.117 -5.536 1.00 0.00 C ATOM 12 C SER A 25 -13.545 -14.087 -4.715 1.00 0.00 C ATOM 13 O SER A 25 -12.980 -14.410 -3.670 1.00 0.00 O ATOM 14 CB SER A 25 -13.521 -16.423 -5.610 1.00 0.00 C ATOM 15 OG SER A 25 -12.283 -16.229 -6.271 1.00 0.00 O ATOM 0 H SER A 25 -13.841 -14.043 -7.274 1.00 0.00 H new ATOM 0 HA SER A 25 -15.268 -15.306 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.344 -16.803 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.105 -17.177 -6.138 1.00 0.00 H new ATOM 0 HG SER A 25 -11.794 -17.077 -6.304 1.00 0.00 H new ATOM 21 N HIS A 26 -13.531 -12.847 -5.200 1.00 0.00 N ATOM 22 CA HIS A 26 -12.833 -11.756 -4.522 1.00 0.00 C ATOM 23 C HIS A 26 -11.334 -12.028 -4.442 1.00 0.00 C ATOM 24 O HIS A 26 -10.885 -12.880 -3.675 1.00 0.00 O ATOM 25 CB HIS A 26 -13.402 -11.540 -3.118 1.00 0.00 C ATOM 26 CG HIS A 26 -14.819 -11.055 -3.117 1.00 0.00 C ATOM 27 ND1 HIS A 26 -15.880 -11.828 -2.694 1.00 0.00 N ATOM 28 CD2 HIS A 26 -15.349 -9.864 -3.486 1.00 0.00 C ATOM 29 CE1 HIS A 26 -16.999 -11.134 -2.804 1.00 0.00 C ATOM 30 NE2 HIS A 26 -16.704 -9.939 -3.280 1.00 0.00 N ATOM 0 H HIS A 26 -13.998 -12.572 -6.064 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.987 -10.850 -5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.346 -12.477 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.779 -10.819 -2.589 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -14.806 -9.013 -3.871 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -17.988 -11.485 -2.548 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -17.374 -9.192 -3.465 1.00 0.00 H new ATOM 39 N MET A 27 -10.564 -11.293 -5.238 1.00 0.00 N ATOM 40 CA MET A 27 -9.114 -11.446 -5.262 1.00 0.00 C ATOM 41 C MET A 27 -8.425 -10.086 -5.223 1.00 0.00 C ATOM 42 O MET A 27 -7.221 -9.982 -5.457 1.00 0.00 O ATOM 43 CB MET A 27 -8.683 -12.214 -6.513 1.00 0.00 C ATOM 44 CG MET A 27 -9.234 -13.629 -6.580 1.00 0.00 C ATOM 45 SD MET A 27 -8.760 -14.489 -8.093 1.00 0.00 S ATOM 46 CE MET A 27 -6.976 -14.505 -7.933 1.00 0.00 C ATOM 0 H MET A 27 -10.922 -10.583 -5.877 1.00 0.00 H new ATOM 0 HA MET A 27 -8.817 -12.010 -4.378 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.008 -11.664 -7.396 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.594 -12.255 -6.546 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.878 -14.194 -5.719 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.321 -13.595 -6.512 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.559 -15.271 -8.587 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.577 -13.531 -8.215 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.705 -14.723 -6.900 1.00 0.00 H new ATOM 56 N ASN A 28 -9.197 -9.046 -4.921 1.00 0.00 N ATOM 57 CA ASN A 28 -8.662 -7.689 -4.852 1.00 0.00 C ATOM 58 C ASN A 28 -8.366 -7.291 -3.409 1.00 0.00 C ATOM 59 O ASN A 28 -7.210 -7.078 -3.040 1.00 0.00 O ATOM 60 CB ASN A 28 -9.648 -6.698 -5.474 1.00 0.00 C ATOM 61 CG ASN A 28 -9.931 -7.004 -6.932 1.00 0.00 C ATOM 62 OD1 ASN A 28 -9.079 -7.537 -7.644 1.00 0.00 O ATOM 63 ND2 ASN A 28 -11.132 -6.665 -7.386 1.00 0.00 N ATOM 0 H ASN A 28 -10.195 -9.116 -4.720 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.728 -7.665 -5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.582 -6.718 -4.913 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.247 -5.688 -5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.379 -6.844 -8.359 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.808 -6.225 -6.761 1.00 0.00 H new ATOM 70 N ASN A 29 -9.415 -7.193 -2.597 1.00 0.00 N ATOM 71 CA ASN A 29 -9.264 -6.820 -1.195 1.00 0.00 C ATOM 72 C ASN A 29 -10.032 -7.777 -0.288 1.00 0.00 C ATOM 73 O ASN A 29 -11.178 -8.128 -0.567 1.00 0.00 O ATOM 74 CB ASN A 29 -9.751 -5.386 -0.974 1.00 0.00 C ATOM 75 CG ASN A 29 -11.199 -5.198 -1.380 1.00 0.00 C ATOM 76 OD1 ASN A 29 -11.496 -4.859 -2.525 1.00 0.00 O ATOM 77 ND2 ASN A 29 -12.111 -5.418 -0.440 1.00 0.00 N ATOM 0 H ASN A 29 -10.378 -7.367 -2.886 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.206 -6.882 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.634 -5.124 0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.125 -4.701 -1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.102 -5.307 -0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.821 -5.698 0.497 1.00 0.00 H new ATOM 84 N GLU A 30 -9.390 -8.194 0.799 1.00 0.00 N ATOM 85 CA GLU A 30 -10.007 -9.112 1.751 1.00 0.00 C ATOM 86 C GLU A 30 -10.422 -8.374 3.022 1.00 0.00 C ATOM 87 O GLU A 30 -11.610 -8.165 3.270 1.00 0.00 O ATOM 88 CB GLU A 30 -9.037 -10.245 2.092 1.00 0.00 C ATOM 89 CG GLU A 30 -9.626 -11.294 3.020 1.00 0.00 C ATOM 90 CD GLU A 30 -8.641 -12.399 3.347 1.00 0.00 C ATOM 91 OE1 GLU A 30 -8.587 -13.389 2.589 1.00 0.00 O ATOM 92 OE2 GLU A 30 -7.923 -12.273 4.360 1.00 0.00 O ATOM 0 H GLU A 30 -8.441 -7.910 1.043 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.901 -9.535 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.717 -10.728 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.146 -9.822 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.950 -10.816 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.513 -11.727 2.557 1.00 0.00 H new ATOM 99 N ASP A 31 -9.434 -7.984 3.822 1.00 0.00 N ATOM 100 CA ASP A 31 -9.690 -7.262 5.063 1.00 0.00 C ATOM 101 C ASP A 31 -8.599 -6.226 5.312 1.00 0.00 C ATOM 102 O ASP A 31 -7.550 -6.539 5.877 1.00 0.00 O ATOM 103 CB ASP A 31 -9.775 -8.228 6.245 1.00 0.00 C ATOM 104 CG ASP A 31 -10.933 -9.198 6.120 1.00 0.00 C ATOM 105 OD1 ASP A 31 -12.096 -8.751 6.217 1.00 0.00 O ATOM 106 OD2 ASP A 31 -10.680 -10.407 5.930 1.00 0.00 O ATOM 0 H ASP A 31 -8.447 -8.157 3.632 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.647 -6.749 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.843 -8.788 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.880 -7.659 7.169 1.00 0.00 H new ATOM 111 N PHE A 32 -8.854 -4.995 4.882 1.00 0.00 N ATOM 112 CA PHE A 32 -7.897 -3.902 5.041 1.00 0.00 C ATOM 113 C PHE A 32 -7.401 -3.798 6.482 1.00 0.00 C ATOM 114 O PHE A 32 -6.308 -3.290 6.736 1.00 0.00 O ATOM 115 CB PHE A 32 -8.542 -2.581 4.615 1.00 0.00 C ATOM 116 CG PHE A 32 -7.558 -1.466 4.396 1.00 0.00 C ATOM 117 CD1 PHE A 32 -7.158 -0.656 5.447 1.00 0.00 C ATOM 118 CD2 PHE A 32 -7.036 -1.227 3.136 1.00 0.00 C ATOM 119 CE1 PHE A 32 -6.255 0.372 5.245 1.00 0.00 C ATOM 120 CE2 PHE A 32 -6.133 -0.201 2.926 1.00 0.00 C ATOM 121 CZ PHE A 32 -5.742 0.599 3.984 1.00 0.00 C ATOM 0 H PHE A 32 -9.721 -4.726 4.417 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.037 -4.112 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.104 -2.742 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.259 -2.275 5.377 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.556 -0.830 6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.338 -1.850 2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.952 0.996 6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.734 -0.025 1.938 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.036 1.400 3.824 1.00 0.00 H new ATOM 131 N SER A 33 -8.206 -4.286 7.421 1.00 0.00 N ATOM 132 CA SER A 33 -7.848 -4.237 8.834 1.00 0.00 C ATOM 133 C SER A 33 -7.084 -5.487 9.265 1.00 0.00 C ATOM 134 O SER A 33 -6.266 -5.436 10.185 1.00 0.00 O ATOM 135 CB SER A 33 -9.105 -4.076 9.692 1.00 0.00 C ATOM 136 OG SER A 33 -8.782 -4.034 11.071 1.00 0.00 O ATOM 0 H SER A 33 -9.109 -4.719 7.229 1.00 0.00 H new ATOM 0 HA SER A 33 -7.195 -3.376 8.979 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.626 -3.161 9.410 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.788 -4.904 9.501 1.00 0.00 H new ATOM 0 HG SER A 33 -9.603 -3.929 11.596 1.00 0.00 H new ATOM 142 N GLN A 34 -7.349 -6.608 8.599 1.00 0.00 N ATOM 143 CA GLN A 34 -6.685 -7.866 8.931 1.00 0.00 C ATOM 144 C GLN A 34 -5.692 -8.285 7.849 1.00 0.00 C ATOM 145 O GLN A 34 -5.384 -9.469 7.705 1.00 0.00 O ATOM 146 CB GLN A 34 -7.724 -8.971 9.138 1.00 0.00 C ATOM 147 CG GLN A 34 -8.616 -8.750 10.349 1.00 0.00 C ATOM 148 CD GLN A 34 -7.842 -8.768 11.653 1.00 0.00 C ATOM 149 OE1 GLN A 34 -7.372 -7.732 12.124 1.00 0.00 O ATOM 150 NE2 GLN A 34 -7.705 -9.949 12.244 1.00 0.00 N ATOM 0 H GLN A 34 -8.016 -6.671 7.830 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.128 -7.710 9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.347 -9.043 8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.210 -9.926 9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.129 -7.794 10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.384 -9.523 10.376 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.111 -10.782 11.818 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.194 -10.023 13.124 1.00 0.00 H new ATOM 159 N TRP A 35 -5.185 -7.314 7.094 1.00 0.00 N ATOM 160 CA TRP A 35 -4.221 -7.602 6.035 1.00 0.00 C ATOM 161 C TRP A 35 -2.852 -7.937 6.619 1.00 0.00 C ATOM 162 O TRP A 35 -2.428 -7.350 7.614 1.00 0.00 O ATOM 163 CB TRP A 35 -4.100 -6.413 5.076 1.00 0.00 C ATOM 164 CG TRP A 35 -5.047 -6.472 3.911 1.00 0.00 C ATOM 165 CD1 TRP A 35 -5.931 -7.471 3.612 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.195 -5.486 2.882 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.624 -7.161 2.467 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.189 -5.949 2.000 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.585 -4.255 2.623 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.587 -5.225 0.879 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.981 -3.538 1.510 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.973 -4.024 0.650 1.00 0.00 C ATOM 0 H TRP A 35 -5.423 -6.327 7.194 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.584 -8.468 5.481 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.279 -5.492 5.631 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.078 -6.365 4.699 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.065 -8.372 4.191 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.345 -7.739 2.035 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.819 -3.872 3.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.352 -5.598 0.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -4.517 -2.586 1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -6.259 -3.439 -0.212 1.00 0.00 H new ATOM 183 N SER A 36 -2.167 -8.885 5.987 1.00 0.00 N ATOM 184 CA SER A 36 -0.845 -9.303 6.436 1.00 0.00 C ATOM 185 C SER A 36 0.240 -8.671 5.572 1.00 0.00 C ATOM 186 O SER A 36 -0.051 -7.883 4.672 1.00 0.00 O ATOM 187 CB SER A 36 -0.727 -10.829 6.387 1.00 0.00 C ATOM 188 OG SER A 36 0.489 -11.270 6.966 1.00 0.00 O ATOM 0 H SER A 36 -2.507 -9.378 5.161 1.00 0.00 H new ATOM 0 HA SER A 36 -0.711 -8.968 7.465 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.568 -11.278 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.783 -11.167 5.352 1.00 0.00 H new ATOM 0 HG SER A 36 0.536 -12.248 6.922 1.00 0.00 H new ATOM 194 N VAL A 37 1.491 -9.019 5.852 1.00 0.00 N ATOM 195 CA VAL A 37 2.618 -8.484 5.099 1.00 0.00 C ATOM 196 C VAL A 37 2.526 -8.865 3.623 1.00 0.00 C ATOM 197 O VAL A 37 2.538 -7.999 2.750 1.00 0.00 O ATOM 198 CB VAL A 37 3.962 -8.984 5.673 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.121 -8.576 4.777 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.167 -8.455 7.085 1.00 0.00 C ATOM 0 H VAL A 37 1.750 -9.669 6.594 1.00 0.00 H new ATOM 0 HA VAL A 37 2.576 -7.399 5.189 1.00 0.00 H new ATOM 0 HB VAL A 37 3.931 -10.073 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.056 -8.940 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.983 -9.006 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.156 -7.489 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.119 -8.817 7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.173 -7.365 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.357 -8.804 7.725 1.00 0.00 H new ATOM 210 N ASP A 38 2.427 -10.164 3.356 1.00 0.00 N ATOM 211 CA ASP A 38 2.343 -10.663 1.985 1.00 0.00 C ATOM 212 C ASP A 38 1.162 -10.051 1.233 1.00 0.00 C ATOM 213 O ASP A 38 1.188 -9.940 0.007 1.00 0.00 O ATOM 214 CB ASP A 38 2.220 -12.188 1.987 1.00 0.00 C ATOM 215 CG ASP A 38 0.934 -12.661 2.633 1.00 0.00 C ATOM 216 OD1 ASP A 38 0.920 -12.838 3.869 1.00 0.00 O ATOM 217 OD2 ASP A 38 -0.061 -12.856 1.902 1.00 0.00 O ATOM 0 H ASP A 38 2.403 -10.891 4.071 1.00 0.00 H new ATOM 0 HA ASP A 38 3.258 -10.370 1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.265 -12.555 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.070 -12.618 2.517 1.00 0.00 H new ATOM 222 N ASP A 39 0.128 -9.656 1.970 1.00 0.00 N ATOM 223 CA ASP A 39 -1.061 -9.063 1.362 1.00 0.00 C ATOM 224 C ASP A 39 -0.789 -7.642 0.874 1.00 0.00 C ATOM 225 O ASP A 39 -0.927 -7.346 -0.314 1.00 0.00 O ATOM 226 CB ASP A 39 -2.219 -9.052 2.361 1.00 0.00 C ATOM 227 CG ASP A 39 -2.721 -10.447 2.681 1.00 0.00 C ATOM 228 OD1 ASP A 39 -2.135 -11.099 3.570 1.00 0.00 O ATOM 229 OD2 ASP A 39 -3.703 -10.885 2.046 1.00 0.00 O ATOM 0 H ASP A 39 0.088 -9.735 2.986 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.331 -9.674 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.896 -8.565 3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.038 -8.458 1.956 1.00 0.00 H new ATOM 234 N VAL A 40 -0.402 -6.768 1.798 1.00 0.00 N ATOM 235 CA VAL A 40 -0.123 -5.373 1.470 1.00 0.00 C ATOM 236 C VAL A 40 0.956 -5.246 0.397 1.00 0.00 C ATOM 237 O VAL A 40 0.928 -4.320 -0.412 1.00 0.00 O ATOM 238 CB VAL A 40 0.316 -4.583 2.718 1.00 0.00 C ATOM 239 CG1 VAL A 40 0.514 -3.112 2.383 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.701 -4.748 3.838 1.00 0.00 C ATOM 0 H VAL A 40 -0.274 -7.002 2.783 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.053 -4.955 1.084 1.00 0.00 H new ATOM 0 HB VAL A 40 1.271 -4.984 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.824 -2.573 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.283 -3.014 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.422 -2.694 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.375 -4.183 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.671 -4.376 3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.787 -5.803 4.099 1.00 0.00 H new ATOM 250 N ILE A 41 1.903 -6.179 0.392 1.00 0.00 N ATOM 251 CA ILE A 41 2.992 -6.154 -0.580 1.00 0.00 C ATOM 252 C ILE A 41 2.500 -6.475 -1.989 1.00 0.00 C ATOM 253 O ILE A 41 2.610 -5.649 -2.895 1.00 0.00 O ATOM 254 CB ILE A 41 4.110 -7.145 -0.195 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.771 -6.709 1.114 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.142 -7.249 -1.313 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.829 -7.669 1.613 1.00 0.00 C ATOM 0 H ILE A 41 1.939 -6.960 1.048 1.00 0.00 H new ATOM 0 HA ILE A 41 3.392 -5.140 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 41 3.669 -8.131 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.222 -5.727 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.003 -6.600 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.923 -7.952 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.657 -7.600 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.585 -6.269 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.252 -7.292 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.380 -8.647 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.618 -7.760 0.867 1.00 0.00 H new ATOM 269 N THR A 42 1.968 -7.681 -2.166 1.00 0.00 N ATOM 270 CA THR A 42 1.468 -8.120 -3.466 1.00 0.00 C ATOM 271 C THR A 42 0.572 -7.068 -4.111 1.00 0.00 C ATOM 272 O THR A 42 0.797 -6.666 -5.252 1.00 0.00 O ATOM 273 CB THR A 42 0.685 -9.440 -3.346 1.00 0.00 C ATOM 274 OG1 THR A 42 1.493 -10.432 -2.703 1.00 0.00 O ATOM 275 CG2 THR A 42 0.256 -9.943 -4.716 1.00 0.00 C ATOM 0 H THR A 42 1.872 -8.374 -1.424 1.00 0.00 H new ATOM 0 HA THR A 42 2.342 -8.274 -4.098 1.00 0.00 H new ATOM 0 HB THR A 42 -0.207 -9.253 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.399 -10.350 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.295 -10.877 -4.605 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.382 -9.199 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.138 -10.114 -5.333 1.00 0.00 H new ATOM 283 N TRP A 43 -0.445 -6.627 -3.379 1.00 0.00 N ATOM 284 CA TRP A 43 -1.374 -5.623 -3.887 1.00 0.00 C ATOM 285 C TRP A 43 -0.641 -4.338 -4.262 1.00 0.00 C ATOM 286 O TRP A 43 -0.873 -3.770 -5.330 1.00 0.00 O ATOM 287 CB TRP A 43 -2.456 -5.321 -2.848 1.00 0.00 C ATOM 288 CG TRP A 43 -3.417 -4.259 -3.287 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.606 -4.445 -3.930 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.268 -2.843 -3.118 1.00 0.00 C ATOM 291 NE1 TRP A 43 -5.205 -3.233 -4.174 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.404 -2.234 -3.685 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.285 -2.032 -2.544 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.581 -0.852 -3.694 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.463 -0.662 -2.553 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.603 -0.084 -3.124 1.00 0.00 C ATOM 0 H TRP A 43 -0.647 -6.948 -2.432 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.844 -6.026 -4.784 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.009 -6.235 -2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.980 -5.009 -1.918 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.016 -5.405 -4.207 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.101 -3.098 -4.643 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.402 -2.469 -2.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.459 -0.403 -4.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.710 -0.026 -2.112 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.713 0.990 -3.114 1.00 0.00 H new ATOM 307 N CYS A 44 0.239 -3.887 -3.375 1.00 0.00 N ATOM 308 CA CYS A 44 1.006 -2.665 -3.599 1.00 0.00 C ATOM 309 C CYS A 44 1.732 -2.699 -4.941 1.00 0.00 C ATOM 310 O CYS A 44 1.416 -1.929 -5.845 1.00 0.00 O ATOM 311 CB CYS A 44 2.017 -2.464 -2.468 1.00 0.00 C ATOM 312 SG CYS A 44 3.132 -1.062 -2.712 1.00 0.00 S ATOM 0 H CYS A 44 0.440 -4.351 -2.489 1.00 0.00 H new ATOM 0 HA CYS A 44 0.305 -1.830 -3.614 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.476 -2.325 -1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.611 -3.372 -2.361 1.00 0.00 H new ATOM 0 HG CYS A 44 2.887 -0.152 -1.817 1.00 0.00 H new ATOM 318 N ILE A 45 2.699 -3.601 -5.058 1.00 0.00 N ATOM 319 CA ILE A 45 3.491 -3.742 -6.277 1.00 0.00 C ATOM 320 C ILE A 45 2.615 -3.901 -7.520 1.00 0.00 C ATOM 321 O ILE A 45 2.775 -3.174 -8.500 1.00 0.00 O ATOM 322 CB ILE A 45 4.432 -4.957 -6.177 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.242 -4.899 -4.880 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.356 -5.006 -7.383 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.073 -6.138 -4.628 1.00 0.00 C ATOM 0 H ILE A 45 2.956 -4.252 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 45 4.072 -2.825 -6.377 1.00 0.00 H new ATOM 0 HB ILE A 45 3.830 -5.866 -6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.900 -4.031 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.560 -4.752 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.016 -5.869 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.762 -5.089 -8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.953 -4.095 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.620 -6.025 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.419 -7.008 -4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.780 -6.275 -5.446 1.00 0.00 H new ATOM 337 N SER A 46 1.692 -4.855 -7.469 1.00 0.00 N ATOM 338 CA SER A 46 0.802 -5.133 -8.596 1.00 0.00 C ATOM 339 C SER A 46 -0.025 -3.913 -9.002 1.00 0.00 C ATOM 340 O SER A 46 -0.655 -3.916 -10.060 1.00 0.00 O ATOM 341 CB SER A 46 -0.129 -6.298 -8.258 1.00 0.00 C ATOM 342 OG SER A 46 -0.981 -5.975 -7.173 1.00 0.00 O ATOM 0 H SER A 46 1.538 -5.452 -6.657 1.00 0.00 H new ATOM 0 HA SER A 46 1.434 -5.397 -9.444 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.729 -6.553 -9.132 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.462 -7.179 -8.010 1.00 0.00 H new ATOM 0 HG SER A 46 -0.483 -6.051 -6.332 1.00 0.00 H new ATOM 348 N THR A 47 -0.033 -2.876 -8.168 1.00 0.00 N ATOM 349 CA THR A 47 -0.811 -1.677 -8.473 1.00 0.00 C ATOM 350 C THR A 47 0.011 -0.398 -8.338 1.00 0.00 C ATOM 351 O THR A 47 -0.519 0.699 -8.519 1.00 0.00 O ATOM 352 CB THR A 47 -2.042 -1.558 -7.554 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.626 -1.339 -6.201 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.900 -2.812 -7.625 1.00 0.00 C ATOM 0 H THR A 47 0.482 -2.840 -7.288 1.00 0.00 H new ATOM 0 HA THR A 47 -1.127 -1.787 -9.510 1.00 0.00 H new ATOM 0 HB THR A 47 -2.637 -0.711 -7.895 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.502 -2.202 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.762 -2.701 -6.967 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.242 -2.961 -8.649 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.312 -3.674 -7.310 1.00 0.00 H new ATOM 362 N LEU A 48 1.298 -0.524 -8.023 1.00 0.00 N ATOM 363 CA LEU A 48 2.137 0.659 -7.863 1.00 0.00 C ATOM 364 C LEU A 48 2.885 1.004 -9.149 1.00 0.00 C ATOM 365 O LEU A 48 2.569 1.997 -9.804 1.00 0.00 O ATOM 366 CB LEU A 48 3.128 0.456 -6.712 1.00 0.00 C ATOM 367 CG LEU A 48 3.679 1.745 -6.095 1.00 0.00 C ATOM 368 CD1 LEU A 48 4.031 1.527 -4.631 1.00 0.00 C ATOM 369 CD2 LEU A 48 4.898 2.228 -6.861 1.00 0.00 C ATOM 0 H LEU A 48 1.774 -1.414 -7.876 1.00 0.00 H new ATOM 0 HA LEU A 48 1.481 1.497 -7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.638 -0.123 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.964 -0.142 -7.074 1.00 0.00 H new ATOM 0 HG LEU A 48 2.905 2.510 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.421 2.453 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.138 1.226 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.787 0.745 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.274 3.145 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.674 1.463 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.623 2.423 -7.897 1.00 0.00 H new ATOM 381 N GLU A 49 3.872 0.190 -9.511 1.00 0.00 N ATOM 382 CA GLU A 49 4.643 0.441 -10.725 1.00 0.00 C ATOM 383 C GLU A 49 5.043 -0.845 -11.444 1.00 0.00 C ATOM 384 O GLU A 49 4.585 -1.116 -12.554 1.00 0.00 O ATOM 385 CB GLU A 49 5.887 1.270 -10.403 1.00 0.00 C ATOM 386 CG GLU A 49 5.611 2.763 -10.308 1.00 0.00 C ATOM 387 CD GLU A 49 6.848 3.568 -9.964 1.00 0.00 C ATOM 388 OE1 GLU A 49 7.662 3.823 -10.875 1.00 0.00 O ATOM 389 OE2 GLU A 49 7.000 3.946 -8.784 1.00 0.00 O ATOM 0 H GLU A 49 4.155 -0.639 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 49 3.995 1.000 -11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.310 0.926 -9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.640 1.096 -11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.207 3.114 -11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.846 2.939 -9.551 1.00 0.00 H new ATOM 396 N VAL A 50 5.901 -1.635 -10.801 1.00 0.00 N ATOM 397 CA VAL A 50 6.396 -2.872 -11.399 1.00 0.00 C ATOM 398 C VAL A 50 5.669 -4.104 -10.869 1.00 0.00 C ATOM 399 O VAL A 50 4.649 -3.998 -10.190 1.00 0.00 O ATOM 400 CB VAL A 50 7.906 -3.041 -11.144 1.00 0.00 C ATOM 401 CG1 VAL A 50 8.676 -1.843 -11.677 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.181 -3.236 -9.660 1.00 0.00 C ATOM 0 H VAL A 50 6.267 -1.441 -9.869 1.00 0.00 H new ATOM 0 HA VAL A 50 6.205 -2.790 -12.469 1.00 0.00 H new ATOM 0 HB VAL A 50 8.245 -3.931 -11.675 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.740 -1.981 -11.487 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.507 -1.750 -12.750 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.333 -0.938 -11.176 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.253 -3.353 -9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.825 -2.367 -9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.662 -4.128 -9.308 1.00 0.00 H new ATOM 412 N GLU A 51 6.209 -5.273 -11.206 1.00 0.00 N ATOM 413 CA GLU A 51 5.644 -6.546 -10.773 1.00 0.00 C ATOM 414 C GLU A 51 6.428 -7.093 -9.585 1.00 0.00 C ATOM 415 O GLU A 51 7.323 -6.425 -9.068 1.00 0.00 O ATOM 416 CB GLU A 51 5.680 -7.553 -11.922 1.00 0.00 C ATOM 417 CG GLU A 51 7.080 -7.803 -12.458 1.00 0.00 C ATOM 418 CD GLU A 51 7.132 -8.951 -13.447 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.111 -10.118 -13.004 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.189 -8.683 -14.666 1.00 0.00 O ATOM 0 H GLU A 51 7.045 -5.363 -11.783 1.00 0.00 H new ATOM 0 HA GLU A 51 4.609 -6.384 -10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.255 -8.497 -11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.047 -7.192 -12.733 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.447 -6.897 -12.940 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.751 -8.015 -11.625 1.00 0.00 H new ATOM 427 N GLU A 52 6.100 -8.311 -9.159 1.00 0.00 N ATOM 428 CA GLU A 52 6.790 -8.920 -8.028 1.00 0.00 C ATOM 429 C GLU A 52 8.157 -9.456 -8.446 1.00 0.00 C ATOM 430 O GLU A 52 8.351 -10.664 -8.586 1.00 0.00 O ATOM 431 CB GLU A 52 5.945 -10.049 -7.432 1.00 0.00 C ATOM 432 CG GLU A 52 4.576 -9.597 -6.954 1.00 0.00 C ATOM 433 CD GLU A 52 3.776 -10.723 -6.327 1.00 0.00 C ATOM 434 OE1 GLU A 52 4.001 -11.019 -5.135 1.00 0.00 O ATOM 435 OE2 GLU A 52 2.926 -11.310 -7.030 1.00 0.00 O ATOM 0 H GLU A 52 5.369 -8.889 -9.575 1.00 0.00 H new ATOM 0 HA GLU A 52 6.939 -8.150 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.819 -10.831 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.485 -10.492 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.696 -8.793 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.019 -9.185 -7.796 1.00 0.00 H new ATOM 442 N THR A 53 9.099 -8.541 -8.649 1.00 0.00 N ATOM 443 CA THR A 53 10.459 -8.897 -9.038 1.00 0.00 C ATOM 444 C THR A 53 11.461 -7.982 -8.347 1.00 0.00 C ATOM 445 O THR A 53 12.429 -8.439 -7.739 1.00 0.00 O ATOM 446 CB THR A 53 10.658 -8.805 -10.562 1.00 0.00 C ATOM 447 OG1 THR A 53 10.321 -7.493 -11.024 1.00 0.00 O ATOM 448 CG2 THR A 53 9.804 -9.837 -11.283 1.00 0.00 C ATOM 0 H THR A 53 8.943 -7.538 -8.549 1.00 0.00 H new ATOM 0 HA THR A 53 10.625 -9.930 -8.731 1.00 0.00 H new ATOM 0 HB THR A 53 11.707 -9.007 -10.781 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.452 -7.444 -11.994 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.962 -9.753 -12.358 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.085 -10.837 -10.952 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.752 -9.662 -11.056 1.00 0.00 H new ATOM 456 N ASP A 54 11.212 -6.682 -8.456 1.00 0.00 N ATOM 457 CA ASP A 54 12.068 -5.671 -7.847 1.00 0.00 C ATOM 458 C ASP A 54 12.136 -5.864 -6.329 1.00 0.00 C ATOM 459 O ASP A 54 11.162 -6.299 -5.715 1.00 0.00 O ATOM 460 CB ASP A 54 11.525 -4.278 -8.187 1.00 0.00 C ATOM 461 CG ASP A 54 12.319 -3.159 -7.543 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.289 -2.683 -8.168 1.00 0.00 O ATOM 463 OD2 ASP A 54 11.969 -2.755 -6.414 1.00 0.00 O ATOM 0 H ASP A 54 10.415 -6.301 -8.966 1.00 0.00 H new ATOM 0 HA ASP A 54 13.078 -5.771 -8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.533 -4.145 -9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.486 -4.211 -7.865 1.00 0.00 H new ATOM 468 N PRO A 55 13.292 -5.552 -5.702 1.00 0.00 N ATOM 469 CA PRO A 55 13.475 -5.696 -4.248 1.00 0.00 C ATOM 470 C PRO A 55 12.445 -4.917 -3.428 1.00 0.00 C ATOM 471 O PRO A 55 12.479 -4.944 -2.197 1.00 0.00 O ATOM 472 CB PRO A 55 14.876 -5.129 -4.005 1.00 0.00 C ATOM 473 CG PRO A 55 15.573 -5.263 -5.312 1.00 0.00 C ATOM 474 CD PRO A 55 14.517 -5.058 -6.360 1.00 0.00 C ATOM 0 HA PRO A 55 13.350 -6.733 -3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 55 14.831 -4.088 -3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.395 -5.681 -3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.369 -4.524 -5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.036 -6.245 -5.410 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.428 -4.009 -6.643 1.00 0.00 H new ATOM 0 HD3 PRO A 55 14.739 -5.616 -7.270 1.00 0.00 H new ATOM 482 N LEU A 56 11.541 -4.218 -4.111 1.00 0.00 N ATOM 483 CA LEU A 56 10.503 -3.436 -3.443 1.00 0.00 C ATOM 484 C LEU A 56 9.799 -4.268 -2.372 1.00 0.00 C ATOM 485 O LEU A 56 9.454 -3.761 -1.303 1.00 0.00 O ATOM 486 CB LEU A 56 9.484 -2.936 -4.473 1.00 0.00 C ATOM 487 CG LEU A 56 8.458 -1.927 -3.951 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.130 -0.606 -3.603 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.359 -1.707 -4.979 1.00 0.00 C ATOM 0 H LEU A 56 11.506 -4.177 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 56 10.974 -2.581 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.026 -2.481 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.949 -3.796 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 56 8.010 -2.333 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.383 0.096 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.883 -0.773 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.606 -0.195 -4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.638 -0.987 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.795 -1.324 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.855 -2.652 -5.181 1.00 0.00 H new ATOM 501 N CYS A 57 9.597 -5.551 -2.664 1.00 0.00 N ATOM 502 CA CYS A 57 8.936 -6.458 -1.730 1.00 0.00 C ATOM 503 C CYS A 57 9.872 -6.847 -0.590 1.00 0.00 C ATOM 504 O CYS A 57 9.435 -7.059 0.540 1.00 0.00 O ATOM 505 CB CYS A 57 8.459 -7.715 -2.456 1.00 0.00 C ATOM 506 SG CYS A 57 9.788 -8.683 -3.208 1.00 0.00 S ATOM 0 H CYS A 57 9.882 -5.986 -3.541 1.00 0.00 H new ATOM 0 HA CYS A 57 8.075 -5.937 -1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.919 -8.346 -1.750 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.750 -7.426 -3.232 1.00 0.00 H new ATOM 0 HG CYS A 57 9.285 -9.727 -3.796 1.00 0.00 H new ATOM 512 N GLN A 58 11.163 -6.942 -0.897 1.00 0.00 N ATOM 513 CA GLN A 58 12.163 -7.307 0.100 1.00 0.00 C ATOM 514 C GLN A 58 12.183 -6.299 1.244 1.00 0.00 C ATOM 515 O GLN A 58 12.412 -6.658 2.399 1.00 0.00 O ATOM 516 CB GLN A 58 13.550 -7.389 -0.540 1.00 0.00 C ATOM 517 CG GLN A 58 13.637 -8.382 -1.688 1.00 0.00 C ATOM 518 CD GLN A 58 13.394 -9.812 -1.244 1.00 0.00 C ATOM 519 OE1 GLN A 58 13.688 -10.179 -0.106 1.00 0.00 O ATOM 520 NE2 GLN A 58 12.857 -10.627 -2.143 1.00 0.00 N ATOM 0 H GLN A 58 11.540 -6.771 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 58 11.896 -8.285 0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.831 -6.401 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.277 -7.666 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.907 -8.114 -2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.622 -8.312 -2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.629 -10.280 -3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.672 -11.601 -1.902 1.00 0.00 H new ATOM 529 N ARG A 59 11.939 -5.035 0.911 1.00 0.00 N ATOM 530 CA ARG A 59 11.932 -3.970 1.906 1.00 0.00 C ATOM 531 C ARG A 59 10.633 -3.970 2.705 1.00 0.00 C ATOM 532 O ARG A 59 10.652 -4.032 3.935 1.00 0.00 O ATOM 533 CB ARG A 59 12.134 -2.617 1.226 1.00 0.00 C ATOM 534 CG ARG A 59 13.470 -2.497 0.515 1.00 0.00 C ATOM 535 CD ARG A 59 14.631 -2.558 1.496 1.00 0.00 C ATOM 536 NE ARG A 59 14.955 -1.245 2.049 1.00 0.00 N ATOM 537 CZ ARG A 59 15.978 -1.024 2.868 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.774 -2.023 3.224 1.00 0.00 N ATOM 539 NH2 ARG A 59 16.204 0.198 3.332 1.00 0.00 N ATOM 0 H ARG A 59 11.744 -4.724 -0.041 1.00 0.00 H new ATOM 0 HA ARG A 59 12.753 -4.148 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.331 -2.456 0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.055 -1.827 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.568 -3.299 -0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.507 -1.557 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.383 -3.241 2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.508 -2.965 0.993 1.00 0.00 H new ATOM 0 HE ARG A 59 14.364 -0.455 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.602 -2.964 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.559 -1.851 3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.593 0.968 3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.989 0.368 3.961 1.00 0.00 H new ATOM 553 N LEU A 60 9.506 -3.895 1.999 1.00 0.00 N ATOM 554 CA LEU A 60 8.194 -3.886 2.643 1.00 0.00 C ATOM 555 C LEU A 60 8.048 -5.060 3.608 1.00 0.00 C ATOM 556 O LEU A 60 7.385 -4.950 4.639 1.00 0.00 O ATOM 557 CB LEU A 60 7.083 -3.941 1.590 1.00 0.00 C ATOM 558 CG LEU A 60 7.083 -2.795 0.577 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.005 -3.013 -0.474 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.879 -1.459 1.279 1.00 0.00 C ATOM 0 H LEU A 60 9.475 -3.840 0.981 1.00 0.00 H new ATOM 0 HA LEU A 60 8.106 -2.959 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.166 -4.883 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.121 -3.951 2.102 1.00 0.00 H new ATOM 0 HG LEU A 60 8.053 -2.777 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.019 -2.188 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.193 -3.949 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.029 -3.058 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.882 -0.656 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.924 -1.466 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.685 -1.297 1.995 1.00 0.00 H new ATOM 572 N ARG A 61 8.672 -6.183 3.264 1.00 0.00 N ATOM 573 CA ARG A 61 8.613 -7.379 4.097 1.00 0.00 C ATOM 574 C ARG A 61 9.535 -7.251 5.304 1.00 0.00 C ATOM 575 O ARG A 61 9.176 -7.646 6.414 1.00 0.00 O ATOM 576 CB ARG A 61 8.994 -8.614 3.277 1.00 0.00 C ATOM 577 CG ARG A 61 8.842 -9.920 4.039 1.00 0.00 C ATOM 578 CD ARG A 61 9.305 -11.106 3.208 1.00 0.00 C ATOM 579 NE ARG A 61 10.739 -11.056 2.934 1.00 0.00 N ATOM 580 CZ ARG A 61 11.514 -12.134 2.856 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.996 -13.341 3.045 1.00 0.00 N ATOM 582 NH2 ARG A 61 12.807 -12.006 2.595 1.00 0.00 N ATOM 0 H ARG A 61 9.225 -6.289 2.413 1.00 0.00 H new ATOM 0 HA ARG A 61 7.590 -7.490 4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.374 -8.651 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.027 -8.515 2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.420 -9.873 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.799 -10.058 4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.068 -12.031 3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.756 -11.125 2.266 1.00 0.00 H new ATOM 0 HE ARG A 61 11.170 -10.142 2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.002 -13.443 3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.592 -14.167 2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.209 -11.079 2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.400 -12.834 2.536 1.00 0.00 H new ATOM 596 N GLU A 62 10.726 -6.702 5.081 1.00 0.00 N ATOM 597 CA GLU A 62 11.693 -6.520 6.157 1.00 0.00 C ATOM 598 C GLU A 62 11.109 -5.636 7.250 1.00 0.00 C ATOM 599 O GLU A 62 11.492 -5.734 8.417 1.00 0.00 O ATOM 600 CB GLU A 62 12.984 -5.902 5.613 1.00 0.00 C ATOM 601 CG GLU A 62 14.110 -5.845 6.632 1.00 0.00 C ATOM 602 CD GLU A 62 14.589 -7.222 7.047 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.024 -7.782 8.010 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.529 -7.741 6.409 1.00 0.00 O ATOM 0 H GLU A 62 11.043 -6.377 4.168 1.00 0.00 H new ATOM 0 HA GLU A 62 11.924 -7.496 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.316 -6.478 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.773 -4.892 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.946 -5.284 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.770 -5.301 7.514 1.00 0.00 H new ATOM 611 N ASN A 63 10.177 -4.773 6.860 1.00 0.00 N ATOM 612 CA ASN A 63 9.522 -3.876 7.800 1.00 0.00 C ATOM 613 C ASN A 63 8.061 -4.273 7.979 1.00 0.00 C ATOM 614 O ASN A 63 7.190 -3.815 7.241 1.00 0.00 O ATOM 615 CB ASN A 63 9.615 -2.427 7.316 1.00 0.00 C ATOM 616 CG ASN A 63 11.047 -1.959 7.165 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.651 -1.451 8.110 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.601 -2.125 5.969 1.00 0.00 N ATOM 0 H ASN A 63 9.859 -4.677 5.896 1.00 0.00 H new ATOM 0 HA ASN A 63 10.031 -3.955 8.761 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.102 -2.333 6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.096 -1.777 8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.563 -1.827 5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.065 -2.551 5.213 1.00 0.00 H new ATOM 625 N ASP A 64 7.809 -5.148 8.947 1.00 0.00 N ATOM 626 CA ASP A 64 6.455 -5.611 9.231 1.00 0.00 C ATOM 627 C ASP A 64 5.506 -4.434 9.439 1.00 0.00 C ATOM 628 O ASP A 64 5.592 -3.724 10.441 1.00 0.00 O ATOM 629 CB ASP A 64 6.452 -6.510 10.470 1.00 0.00 C ATOM 630 CG ASP A 64 5.062 -7.004 10.822 1.00 0.00 C ATOM 631 OD1 ASP A 64 4.344 -6.289 11.552 1.00 0.00 O ATOM 632 OD2 ASP A 64 4.692 -8.109 10.371 1.00 0.00 O ATOM 0 H ASP A 64 8.526 -5.552 9.549 1.00 0.00 H new ATOM 0 HA ASP A 64 6.107 -6.184 8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.106 -7.365 10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.864 -5.960 11.316 1.00 0.00 H new ATOM 637 N ILE A 65 4.604 -4.234 8.482 1.00 0.00 N ATOM 638 CA ILE A 65 3.635 -3.147 8.553 1.00 0.00 C ATOM 639 C ILE A 65 2.231 -3.645 8.220 1.00 0.00 C ATOM 640 O ILE A 65 2.047 -4.452 7.308 1.00 0.00 O ATOM 641 CB ILE A 65 4.008 -1.996 7.593 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.362 -1.389 7.979 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.923 -0.927 7.585 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.377 -0.731 9.343 1.00 0.00 C ATOM 0 H ILE A 65 4.525 -4.813 7.646 1.00 0.00 H new ATOM 0 HA ILE A 65 3.651 -2.771 9.576 1.00 0.00 H new ATOM 0 HB ILE A 65 4.090 -2.405 6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.119 -2.173 7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.645 -0.651 7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.206 -0.126 6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.981 -1.367 7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.804 -0.522 8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.370 -0.327 9.541 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.645 0.076 9.365 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.127 -1.469 10.106 1.00 0.00 H new ATOM 656 N VAL A 66 1.244 -3.158 8.966 1.00 0.00 N ATOM 657 CA VAL A 66 -0.144 -3.551 8.753 1.00 0.00 C ATOM 658 C VAL A 66 -0.926 -2.419 8.090 1.00 0.00 C ATOM 659 O VAL A 66 -0.452 -1.285 8.021 1.00 0.00 O ATOM 660 CB VAL A 66 -0.819 -3.946 10.085 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.961 -2.738 10.998 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.172 -4.605 9.843 1.00 0.00 C ATOM 0 H VAL A 66 1.381 -2.490 9.724 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.147 -4.419 8.093 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.178 -4.674 10.581 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.439 -3.040 11.930 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.025 -2.326 11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.571 -1.980 10.507 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.623 -4.872 10.799 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.826 -3.911 9.315 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.036 -5.504 9.242 1.00 0.00 H new ATOM 672 N GLY A 67 -2.117 -2.735 7.591 1.00 0.00 N ATOM 673 CA GLY A 67 -2.942 -1.734 6.938 1.00 0.00 C ATOM 674 C GLY A 67 -3.283 -0.568 7.848 1.00 0.00 C ATOM 675 O GLY A 67 -3.567 0.531 7.376 1.00 0.00 O ATOM 0 H GLY A 67 -2.526 -3.668 7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.422 -1.360 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.864 -2.200 6.591 1.00 0.00 H new ATOM 679 N ASP A 68 -3.253 -0.810 9.155 1.00 0.00 N ATOM 680 CA ASP A 68 -3.566 0.225 10.137 1.00 0.00 C ATOM 681 C ASP A 68 -2.399 1.195 10.305 1.00 0.00 C ATOM 682 O ASP A 68 -2.516 2.210 10.993 1.00 0.00 O ATOM 683 CB ASP A 68 -3.909 -0.417 11.483 1.00 0.00 C ATOM 684 CG ASP A 68 -4.310 0.604 12.530 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.490 1.013 12.540 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.445 0.993 13.342 1.00 0.00 O ATOM 0 H ASP A 68 -3.015 -1.715 9.560 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.427 0.787 9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.722 -1.129 11.345 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.048 -0.982 11.842 1.00 0.00 H new ATOM 691 N LEU A 69 -1.277 0.878 9.669 1.00 0.00 N ATOM 692 CA LEU A 69 -0.083 1.713 9.753 1.00 0.00 C ATOM 693 C LEU A 69 0.124 2.526 8.478 1.00 0.00 C ATOM 694 O LEU A 69 0.899 3.482 8.463 1.00 0.00 O ATOM 695 CB LEU A 69 1.147 0.839 10.014 1.00 0.00 C ATOM 696 CG LEU A 69 1.485 0.581 11.487 1.00 0.00 C ATOM 697 CD1 LEU A 69 0.229 0.300 12.300 1.00 0.00 C ATOM 698 CD2 LEU A 69 2.461 -0.580 11.605 1.00 0.00 C ATOM 0 H LEU A 69 -1.168 0.047 9.088 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.221 2.411 10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.997 -0.122 9.522 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.009 1.308 9.540 1.00 0.00 H new ATOM 0 HG LEU A 69 1.951 1.480 11.890 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.501 0.121 13.340 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.441 1.158 12.243 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.274 -0.580 11.900 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.694 -0.754 12.655 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.012 -1.477 11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.377 -0.341 11.065 1.00 0.00 H new ATOM 710 N LEU A 70 -0.571 2.144 7.411 1.00 0.00 N ATOM 711 CA LEU A 70 -0.448 2.839 6.132 1.00 0.00 C ATOM 712 C LEU A 70 -0.932 4.291 6.224 1.00 0.00 C ATOM 713 O LEU A 70 -0.219 5.206 5.808 1.00 0.00 O ATOM 714 CB LEU A 70 -1.214 2.088 5.036 1.00 0.00 C ATOM 715 CG LEU A 70 -0.694 0.681 4.729 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.586 -0.006 3.707 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.742 0.738 4.228 1.00 0.00 C ATOM 0 H LEU A 70 -1.223 1.360 7.405 1.00 0.00 H new ATOM 0 HA LEU A 70 0.610 2.861 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.261 2.016 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.180 2.679 4.121 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.714 0.100 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.201 -1.005 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.599 -0.082 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.598 0.575 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.094 -0.272 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.786 1.337 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.376 1.190 4.991 1.00 0.00 H new ATOM 729 N PRO A 71 -2.145 4.536 6.766 1.00 0.00 N ATOM 730 CA PRO A 71 -2.686 5.889 6.891 1.00 0.00 C ATOM 731 C PRO A 71 -2.203 6.602 8.152 1.00 0.00 C ATOM 732 O PRO A 71 -2.519 7.771 8.374 1.00 0.00 O ATOM 733 CB PRO A 71 -4.189 5.640 6.963 1.00 0.00 C ATOM 734 CG PRO A 71 -4.313 4.328 7.660 1.00 0.00 C ATOM 735 CD PRO A 71 -3.089 3.526 7.292 1.00 0.00 C ATOM 0 HA PRO A 71 -2.374 6.536 6.071 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.697 6.432 7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.634 5.606 5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.375 4.467 8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.222 3.811 7.353 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.677 3.007 8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.319 2.767 6.544 1.00 0.00 H new ATOM 743 N GLU A 72 -1.436 5.891 8.975 1.00 0.00 N ATOM 744 CA GLU A 72 -0.916 6.455 10.216 1.00 0.00 C ATOM 745 C GLU A 72 0.488 7.018 10.018 1.00 0.00 C ATOM 746 O GLU A 72 0.864 8.010 10.644 1.00 0.00 O ATOM 747 CB GLU A 72 -0.904 5.390 11.316 1.00 0.00 C ATOM 748 CG GLU A 72 -0.452 5.917 12.668 1.00 0.00 C ATOM 749 CD GLU A 72 -0.497 4.856 13.751 1.00 0.00 C ATOM 750 OE1 GLU A 72 -1.554 4.717 14.403 1.00 0.00 O ATOM 751 OE2 GLU A 72 0.524 4.164 13.946 1.00 0.00 O ATOM 0 H GLU A 72 -1.161 4.924 8.804 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.571 7.273 10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.905 4.971 11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.246 4.575 11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.564 6.301 12.583 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.086 6.755 12.958 1.00 0.00 H new ATOM 758 N LEU A 73 1.261 6.383 9.142 1.00 0.00 N ATOM 759 CA LEU A 73 2.624 6.821 8.864 1.00 0.00 C ATOM 760 C LEU A 73 2.646 7.887 7.772 1.00 0.00 C ATOM 761 O LEU A 73 1.627 8.159 7.136 1.00 0.00 O ATOM 762 CB LEU A 73 3.491 5.629 8.453 1.00 0.00 C ATOM 763 CG LEU A 73 3.716 4.586 9.550 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.435 3.368 8.990 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.508 5.185 10.703 1.00 0.00 C ATOM 0 H LEU A 73 0.966 5.563 8.612 1.00 0.00 H new ATOM 0 HA LEU A 73 3.030 7.259 9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.027 5.140 7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.460 6.001 8.121 1.00 0.00 H new ATOM 0 HG LEU A 73 2.743 4.270 9.926 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.586 2.637 9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.833 2.923 8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.401 3.670 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.658 4.428 11.473 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.476 5.529 10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.958 6.027 11.124 1.00 0.00 H new ATOM 777 N CYS A 74 3.814 8.488 7.561 1.00 0.00 N ATOM 778 CA CYS A 74 3.970 9.529 6.550 1.00 0.00 C ATOM 779 C CYS A 74 5.001 9.126 5.499 1.00 0.00 C ATOM 780 O CYS A 74 5.375 7.957 5.398 1.00 0.00 O ATOM 781 CB CYS A 74 4.384 10.847 7.210 1.00 0.00 C ATOM 782 SG CYS A 74 3.180 11.489 8.397 1.00 0.00 S ATOM 0 H CYS A 74 4.667 8.272 8.077 1.00 0.00 H new ATOM 0 HA CYS A 74 3.010 9.662 6.052 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.337 10.703 7.718 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.547 11.594 6.433 1.00 0.00 H new ATOM 0 HG CYS A 74 3.620 12.603 8.902 1.00 0.00 H new ATOM 788 N LEU A 75 5.455 10.103 4.716 1.00 0.00 N ATOM 789 CA LEU A 75 6.442 9.853 3.669 1.00 0.00 C ATOM 790 C LEU A 75 7.779 9.426 4.268 1.00 0.00 C ATOM 791 O LEU A 75 8.681 8.995 3.551 1.00 0.00 O ATOM 792 CB LEU A 75 6.634 11.104 2.805 1.00 0.00 C ATOM 793 CG LEU A 75 5.379 11.590 2.078 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.651 12.909 1.370 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.896 10.542 1.086 1.00 0.00 C ATOM 0 H LEU A 75 5.155 11.075 4.787 1.00 0.00 H new ATOM 0 HA LEU A 75 6.069 9.042 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.003 11.911 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.408 10.900 2.065 1.00 0.00 H new ATOM 0 HG LEU A 75 4.594 11.751 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.748 13.240 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.949 13.660 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.451 12.773 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.002 10.906 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.678 10.349 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.662 9.619 1.617 1.00 0.00 H new ATOM 807 N GLN A 76 7.901 9.554 5.585 1.00 0.00 N ATOM 808 CA GLN A 76 9.126 9.178 6.279 1.00 0.00 C ATOM 809 C GLN A 76 9.391 7.683 6.135 1.00 0.00 C ATOM 810 O GLN A 76 10.447 7.272 5.650 1.00 0.00 O ATOM 811 CB GLN A 76 9.034 9.560 7.760 1.00 0.00 C ATOM 812 CG GLN A 76 10.322 9.333 8.538 1.00 0.00 C ATOM 813 CD GLN A 76 10.530 7.882 8.935 1.00 0.00 C ATOM 814 OE1 GLN A 76 11.662 7.409 9.025 1.00 0.00 O ATOM 815 NE2 GLN A 76 9.436 7.170 9.182 1.00 0.00 N ATOM 0 H GLN A 76 7.166 9.915 6.193 1.00 0.00 H new ATOM 0 HA GLN A 76 9.957 9.719 5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.755 10.611 7.837 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.234 8.983 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.167 9.663 7.934 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.311 9.951 9.436 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.516 7.602 9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.516 6.191 9.458 1.00 0.00 H new ATOM 824 N ASP A 77 8.424 6.873 6.554 1.00 0.00 N ATOM 825 CA ASP A 77 8.551 5.422 6.471 1.00 0.00 C ATOM 826 C ASP A 77 8.461 4.948 5.023 1.00 0.00 C ATOM 827 O ASP A 77 8.993 3.894 4.672 1.00 0.00 O ATOM 828 CB ASP A 77 7.468 4.745 7.311 1.00 0.00 C ATOM 829 CG ASP A 77 7.553 3.232 7.254 1.00 0.00 C ATOM 830 OD1 ASP A 77 8.363 2.654 8.008 1.00 0.00 O ATOM 831 OD2 ASP A 77 6.807 2.627 6.456 1.00 0.00 O ATOM 0 H ASP A 77 7.544 7.197 6.955 1.00 0.00 H new ATOM 0 HA ASP A 77 9.530 5.146 6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.558 5.072 8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.487 5.064 6.960 1.00 0.00 H new ATOM 836 N CYS A 78 7.785 5.731 4.188 1.00 0.00 N ATOM 837 CA CYS A 78 7.627 5.390 2.779 1.00 0.00 C ATOM 838 C CYS A 78 8.968 5.442 2.054 1.00 0.00 C ATOM 839 O CYS A 78 9.350 4.493 1.369 1.00 0.00 O ATOM 840 CB CYS A 78 6.633 6.340 2.109 1.00 0.00 C ATOM 841 SG CYS A 78 4.976 6.301 2.829 1.00 0.00 S ATOM 0 H CYS A 78 7.338 6.606 4.463 1.00 0.00 H new ATOM 0 HA CYS A 78 7.241 4.373 2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.021 7.357 2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.564 6.089 1.051 1.00 0.00 H new ATOM 0 HG CYS A 78 4.967 6.986 3.934 1.00 0.00 H new ATOM 847 N GLN A 79 9.677 6.556 2.207 1.00 0.00 N ATOM 848 CA GLN A 79 10.977 6.720 1.568 1.00 0.00 C ATOM 849 C GLN A 79 11.972 5.708 2.123 1.00 0.00 C ATOM 850 O GLN A 79 12.812 5.181 1.393 1.00 0.00 O ATOM 851 CB GLN A 79 11.500 8.143 1.776 1.00 0.00 C ATOM 852 CG GLN A 79 12.660 8.498 0.863 1.00 0.00 C ATOM 853 CD GLN A 79 13.143 9.922 1.059 1.00 0.00 C ATOM 854 OE1 GLN A 79 13.056 10.474 2.157 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.651 10.527 -0.008 1.00 0.00 N ATOM 0 H GLN A 79 9.375 7.355 2.765 1.00 0.00 H new ATOM 0 HA GLN A 79 10.860 6.545 0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.687 8.849 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.815 8.259 2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.485 7.810 1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.356 8.361 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.704 10.032 -0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.988 11.487 0.062 1.00 0.00 H new ATOM 864 N ASP A 80 11.871 5.444 3.423 1.00 0.00 N ATOM 865 CA ASP A 80 12.748 4.482 4.082 1.00 0.00 C ATOM 866 C ASP A 80 12.503 3.087 3.525 1.00 0.00 C ATOM 867 O ASP A 80 13.415 2.264 3.441 1.00 0.00 O ATOM 868 CB ASP A 80 12.502 4.488 5.592 1.00 0.00 C ATOM 869 CG ASP A 80 13.457 3.576 6.336 1.00 0.00 C ATOM 870 OD1 ASP A 80 13.127 2.383 6.509 1.00 0.00 O ATOM 871 OD2 ASP A 80 14.537 4.053 6.746 1.00 0.00 O ATOM 0 H ASP A 80 11.189 5.884 4.041 1.00 0.00 H new ATOM 0 HA ASP A 80 13.783 4.766 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.606 5.505 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.477 4.177 5.792 1.00 0.00 H new ATOM 876 N LEU A 81 11.256 2.838 3.144 1.00 0.00 N ATOM 877 CA LEU A 81 10.858 1.555 2.583 1.00 0.00 C ATOM 878 C LEU A 81 11.385 1.404 1.160 1.00 0.00 C ATOM 879 O LEU A 81 11.370 0.311 0.592 1.00 0.00 O ATOM 880 CB LEU A 81 9.331 1.432 2.607 1.00 0.00 C ATOM 881 CG LEU A 81 8.753 0.556 3.727 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.513 0.758 5.031 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.279 0.864 3.928 1.00 0.00 C ATOM 0 H LEU A 81 10.497 3.516 3.215 1.00 0.00 H new ATOM 0 HA LEU A 81 11.288 0.757 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.905 2.432 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.002 1.029 1.649 1.00 0.00 H new ATOM 0 HG LEU A 81 8.862 -0.487 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.081 0.125 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.560 0.492 4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.443 1.802 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.881 0.236 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.160 1.913 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.736 0.664 3.004 1.00 0.00 H new ATOM 895 N CYS A 82 11.849 2.511 0.591 1.00 0.00 N ATOM 896 CA CYS A 82 12.392 2.512 -0.761 1.00 0.00 C ATOM 897 C CYS A 82 13.914 2.618 -0.726 1.00 0.00 C ATOM 898 O CYS A 82 14.488 3.103 0.249 1.00 0.00 O ATOM 899 CB CYS A 82 11.803 3.670 -1.569 1.00 0.00 C ATOM 900 SG CYS A 82 12.366 3.734 -3.286 1.00 0.00 S ATOM 0 H CYS A 82 11.860 3.423 1.048 1.00 0.00 H new ATOM 0 HA CYS A 82 12.119 1.573 -1.242 1.00 0.00 H new ATOM 0 HB2 CYS A 82 10.716 3.591 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.060 4.609 -1.078 1.00 0.00 H new ATOM 0 HG CYS A 82 12.261 4.950 -3.732 1.00 0.00 H new ATOM 906 N ASP A 83 14.562 2.161 -1.793 1.00 0.00 N ATOM 907 CA ASP A 83 16.018 2.205 -1.879 1.00 0.00 C ATOM 908 C ASP A 83 16.523 3.645 -1.846 1.00 0.00 C ATOM 909 O ASP A 83 17.664 3.903 -1.463 1.00 0.00 O ATOM 910 CB ASP A 83 16.498 1.513 -3.156 1.00 0.00 C ATOM 911 CG ASP A 83 18.011 1.467 -3.255 1.00 0.00 C ATOM 912 OD1 ASP A 83 18.610 0.495 -2.750 1.00 0.00 O ATOM 913 OD2 ASP A 83 18.596 2.404 -3.838 1.00 0.00 O ATOM 0 H ASP A 83 14.103 1.756 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 83 16.422 1.677 -1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.104 0.497 -3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.096 2.037 -4.023 1.00 0.00 H new ATOM 918 N GLY A 84 15.666 4.578 -2.251 1.00 0.00 N ATOM 919 CA GLY A 84 16.045 5.980 -2.257 1.00 0.00 C ATOM 920 C GLY A 84 15.263 6.791 -3.273 1.00 0.00 C ATOM 921 O GLY A 84 15.356 8.019 -3.299 1.00 0.00 O ATOM 0 H GLY A 84 14.717 4.389 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.887 6.400 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.110 6.064 -2.473 1.00 0.00 H new ATOM 925 N ASP A 85 14.492 6.104 -4.111 1.00 0.00 N ATOM 926 CA ASP A 85 13.694 6.770 -5.135 1.00 0.00 C ATOM 927 C ASP A 85 12.510 7.499 -4.506 1.00 0.00 C ATOM 928 O ASP A 85 11.583 6.872 -3.992 1.00 0.00 O ATOM 929 CB ASP A 85 13.199 5.754 -6.165 1.00 0.00 C ATOM 930 CG ASP A 85 12.647 6.415 -7.412 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.438 6.685 -8.340 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.424 6.662 -7.462 1.00 0.00 O ATOM 0 H ASP A 85 14.403 5.088 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 85 14.324 7.504 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.020 5.092 -6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.426 5.132 -5.715 1.00 0.00 H new ATOM 937 N LEU A 86 12.551 8.827 -4.547 1.00 0.00 N ATOM 938 CA LEU A 86 11.486 9.645 -3.978 1.00 0.00 C ATOM 939 C LEU A 86 10.172 9.433 -4.726 1.00 0.00 C ATOM 940 O LEU A 86 9.123 9.239 -4.112 1.00 0.00 O ATOM 941 CB LEU A 86 11.873 11.126 -4.018 1.00 0.00 C ATOM 942 CG LEU A 86 10.886 12.073 -3.330 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.837 11.803 -1.834 1.00 0.00 C ATOM 944 CD2 LEU A 86 11.263 13.523 -3.600 1.00 0.00 C ATOM 0 H LEU A 86 13.311 9.360 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 86 11.346 9.339 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.851 11.243 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.979 11.430 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 86 9.893 11.892 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.130 12.486 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.519 10.775 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.827 11.954 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.551 14.183 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.265 13.716 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.243 13.710 -4.674 1.00 0.00 H new ATOM 956 N ASN A 87 10.240 9.472 -6.053 1.00 0.00 N ATOM 957 CA ASN A 87 9.057 9.286 -6.889 1.00 0.00 C ATOM 958 C ASN A 87 8.323 7.999 -6.526 1.00 0.00 C ATOM 959 O ASN A 87 7.099 7.918 -6.634 1.00 0.00 O ATOM 960 CB ASN A 87 9.454 9.257 -8.365 1.00 0.00 C ATOM 961 CG ASN A 87 9.967 10.597 -8.854 1.00 0.00 C ATOM 962 OD1 ASN A 87 9.564 11.649 -8.356 1.00 0.00 O ATOM 963 ND2 ASN A 87 10.858 10.566 -9.838 1.00 0.00 N ATOM 0 H ASN A 87 11.102 9.631 -6.574 1.00 0.00 H new ATOM 0 HA ASN A 87 8.385 10.126 -6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.223 8.500 -8.516 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.593 8.961 -8.964 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.236 11.437 -10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.164 9.672 -10.221 1.00 0.00 H new ATOM 970 N LYS A 88 9.079 6.997 -6.094 1.00 0.00 N ATOM 971 CA LYS A 88 8.507 5.711 -5.719 1.00 0.00 C ATOM 972 C LYS A 88 7.660 5.835 -4.455 1.00 0.00 C ATOM 973 O LYS A 88 6.565 5.276 -4.374 1.00 0.00 O ATOM 974 CB LYS A 88 9.621 4.681 -5.510 1.00 0.00 C ATOM 975 CG LYS A 88 9.118 3.300 -5.111 1.00 0.00 C ATOM 976 CD LYS A 88 8.256 2.670 -6.198 1.00 0.00 C ATOM 977 CE LYS A 88 9.094 2.106 -7.337 1.00 0.00 C ATOM 978 NZ LYS A 88 9.739 3.177 -8.147 1.00 0.00 N ATOM 0 H LYS A 88 10.093 7.051 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 88 7.859 5.377 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.199 4.594 -6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.300 5.046 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.968 2.651 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.541 3.377 -4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.651 1.874 -5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.566 3.416 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.862 1.449 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.462 1.496 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.730 2.906 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.216 4.068 -8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.722 3.306 -7.832 1.00 0.00 H new ATOM 992 N ALA A 89 8.170 6.572 -3.473 1.00 0.00 N ATOM 993 CA ALA A 89 7.456 6.763 -2.214 1.00 0.00 C ATOM 994 C ALA A 89 6.217 7.629 -2.406 1.00 0.00 C ATOM 995 O ALA A 89 5.205 7.437 -1.732 1.00 0.00 O ATOM 996 CB ALA A 89 8.375 7.380 -1.170 1.00 0.00 C ATOM 0 H ALA A 89 9.072 7.046 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 89 7.131 5.784 -1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.827 7.516 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.225 6.720 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.732 8.347 -1.525 1.00 0.00 H new ATOM 1002 N ILE A 90 6.303 8.586 -3.326 1.00 0.00 N ATOM 1003 CA ILE A 90 5.183 9.478 -3.602 1.00 0.00 C ATOM 1004 C ILE A 90 3.973 8.693 -4.100 1.00 0.00 C ATOM 1005 O ILE A 90 2.878 8.808 -3.548 1.00 0.00 O ATOM 1006 CB ILE A 90 5.558 10.551 -4.645 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.693 11.430 -4.112 1.00 0.00 C ATOM 1008 CG2 ILE A 90 4.343 11.397 -5.000 1.00 0.00 C ATOM 1009 CD1 ILE A 90 7.210 12.434 -5.121 1.00 0.00 C ATOM 0 H ILE A 90 7.134 8.763 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 90 4.932 9.974 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 90 5.902 10.053 -5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.343 11.963 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.517 10.791 -3.793 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.626 12.149 -5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.563 10.758 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.969 11.891 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 90 8.012 13.020 -4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.591 11.907 -5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.400 13.098 -5.422 1.00 0.00 H new ATOM 1021 N LYS A 91 4.178 7.896 -5.145 1.00 0.00 N ATOM 1022 CA LYS A 91 3.103 7.086 -5.709 1.00 0.00 C ATOM 1023 C LYS A 91 2.543 6.133 -4.662 1.00 0.00 C ATOM 1024 O LYS A 91 1.342 5.878 -4.620 1.00 0.00 O ATOM 1025 CB LYS A 91 3.609 6.294 -6.916 1.00 0.00 C ATOM 1026 CG LYS A 91 3.893 7.150 -8.141 1.00 0.00 C ATOM 1027 CD LYS A 91 2.644 7.866 -8.643 1.00 0.00 C ATOM 1028 CE LYS A 91 1.645 6.899 -9.266 1.00 0.00 C ATOM 1029 NZ LYS A 91 0.866 6.155 -8.238 1.00 0.00 N ATOM 0 H LYS A 91 5.076 7.794 -5.617 1.00 0.00 H new ATOM 0 HA LYS A 91 2.307 7.756 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.520 5.766 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.869 5.537 -7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.659 7.886 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.295 6.522 -8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.170 8.393 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.928 8.618 -9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.960 7.451 -9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.176 6.190 -9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.238 5.188 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.949 6.640 -7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.134 6.118 -8.520 1.00 0.00 H new ATOM 1043 N PHE A 92 3.427 5.610 -3.818 1.00 0.00 N ATOM 1044 CA PHE A 92 3.026 4.686 -2.764 1.00 0.00 C ATOM 1045 C PHE A 92 1.980 5.326 -1.855 1.00 0.00 C ATOM 1046 O PHE A 92 0.851 4.842 -1.749 1.00 0.00 O ATOM 1047 CB PHE A 92 4.253 4.262 -1.949 1.00 0.00 C ATOM 1048 CG PHE A 92 3.943 3.322 -0.817 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.210 2.166 -1.037 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.389 3.595 0.466 1.00 0.00 C ATOM 1051 CE1 PHE A 92 2.928 1.300 0.003 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.110 2.732 1.510 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.379 1.583 1.277 1.00 0.00 C ATOM 0 H PHE A 92 4.427 5.811 -3.844 1.00 0.00 H new ATOM 0 HA PHE A 92 2.582 3.803 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.972 3.786 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.734 5.153 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.855 1.940 -2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.961 4.492 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.355 0.403 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.463 2.956 2.506 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.161 0.907 2.090 1.00 0.00 H new ATOM 1063 N LYS A 93 2.362 6.424 -1.208 1.00 0.00 N ATOM 1064 CA LYS A 93 1.464 7.139 -0.309 1.00 0.00 C ATOM 1065 C LYS A 93 0.173 7.522 -1.028 1.00 0.00 C ATOM 1066 O LYS A 93 -0.914 7.438 -0.458 1.00 0.00 O ATOM 1067 CB LYS A 93 2.155 8.392 0.237 1.00 0.00 C ATOM 1068 CG LYS A 93 1.757 8.746 1.664 1.00 0.00 C ATOM 1069 CD LYS A 93 0.333 9.279 1.746 1.00 0.00 C ATOM 1070 CE LYS A 93 0.178 10.588 0.988 1.00 0.00 C ATOM 1071 NZ LYS A 93 -1.196 11.149 1.118 1.00 0.00 N ATOM 0 H LYS A 93 3.291 6.838 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 93 1.212 6.481 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.234 8.246 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.923 9.235 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.850 7.862 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.446 9.493 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.356 8.539 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.060 9.429 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.902 11.312 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.405 10.426 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.557 11.405 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.822 10.438 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.170 11.996 1.721 1.00 0.00 H new ATOM 1085 N ILE A 94 0.302 7.939 -2.285 1.00 0.00 N ATOM 1086 CA ILE A 94 -0.853 8.331 -3.083 1.00 0.00 C ATOM 1087 C ILE A 94 -1.880 7.208 -3.160 1.00 0.00 C ATOM 1088 O ILE A 94 -3.019 7.367 -2.726 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.443 8.725 -4.515 1.00 0.00 C ATOM 1090 CG1 ILE A 94 0.211 10.108 -4.520 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.654 8.695 -5.440 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.818 10.489 -5.853 1.00 0.00 C ATOM 0 H ILE A 94 1.195 8.014 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.295 9.194 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 94 0.285 8.002 -4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.534 10.854 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.988 10.136 -3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.349 8.976 -6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.076 7.690 -5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.405 9.398 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.263 11.481 -5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.587 9.766 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.042 10.495 -6.618 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.466 6.081 -3.734 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.345 4.926 -3.879 1.00 0.00 C ATOM 1106 C LEU A 95 -3.049 4.617 -2.568 1.00 0.00 C ATOM 1107 O LEU A 95 -4.180 4.132 -2.559 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.546 3.707 -4.338 1.00 0.00 C ATOM 1109 CG LEU A 95 -0.842 3.864 -5.688 1.00 0.00 C ATOM 1110 CD1 LEU A 95 0.095 2.694 -5.933 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -1.863 3.977 -6.811 1.00 0.00 C ATOM 0 H LEU A 95 -0.526 5.944 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.098 5.164 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.798 3.476 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.218 2.851 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.252 4.780 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.589 2.819 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.845 2.657 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.476 1.765 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.345 4.088 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.478 3.078 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.498 4.846 -6.640 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.371 4.898 -1.462 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.938 4.650 -0.147 1.00 0.00 C ATOM 1125 C ILE A 96 -4.013 5.676 0.196 1.00 0.00 C ATOM 1126 O ILE A 96 -5.020 5.347 0.825 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.851 4.667 0.945 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.769 3.634 0.633 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.465 4.400 2.313 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.483 3.801 1.463 1.00 0.00 C ATOM 0 H ILE A 96 -1.432 5.296 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.391 3.659 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.392 5.655 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.173 2.635 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.507 3.702 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.683 4.416 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.203 5.170 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.949 3.423 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.207 3.034 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.912 4.786 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.235 3.703 2.520 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.793 6.918 -0.221 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.743 7.994 0.043 1.00 0.00 C ATOM 1144 C ASN A 97 -6.042 7.778 -0.728 1.00 0.00 C ATOM 1145 O ASN A 97 -7.133 7.957 -0.186 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.129 9.343 -0.333 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.036 10.506 0.013 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -4.971 11.052 1.115 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -5.889 10.893 -0.928 1.00 0.00 N ATOM 0 H ASN A 97 -2.965 7.205 -0.743 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.973 7.990 1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.177 9.462 0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.916 9.357 -1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.524 11.671 -0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.909 10.412 -1.827 1.00 0.00 H new ATOM 1156 N LYS A 98 -5.917 7.393 -1.994 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.080 7.152 -2.842 1.00 0.00 C ATOM 1158 C LYS A 98 -7.805 5.876 -2.425 1.00 0.00 C ATOM 1159 O LYS A 98 -9.030 5.793 -2.507 1.00 0.00 O ATOM 1160 CB LYS A 98 -6.660 7.058 -4.312 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.389 8.406 -4.965 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.186 9.103 -4.347 1.00 0.00 C ATOM 1163 CE LYS A 98 -4.914 10.442 -5.014 1.00 0.00 C ATOM 1164 NZ LYS A 98 -4.577 10.288 -6.456 1.00 0.00 N ATOM 0 H LYS A 98 -5.021 7.241 -2.456 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.764 7.992 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.763 6.444 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.443 6.546 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.218 8.265 -6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.269 9.042 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.360 9.255 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.307 8.464 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.790 11.082 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.093 10.942 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.065 11.131 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.978 9.447 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.452 10.177 -7.007 1.00 0.00 H new ATOM 1178 N MET A 99 -7.041 4.883 -1.979 1.00 0.00 N ATOM 1179 CA MET A 99 -7.611 3.610 -1.549 1.00 0.00 C ATOM 1180 C MET A 99 -8.434 3.782 -0.275 1.00 0.00 C ATOM 1181 O MET A 99 -9.554 3.280 -0.177 1.00 0.00 O ATOM 1182 CB MET A 99 -6.499 2.584 -1.319 1.00 0.00 C ATOM 1183 CG MET A 99 -7.006 1.221 -0.870 1.00 0.00 C ATOM 1184 SD MET A 99 -8.130 0.469 -2.060 1.00 0.00 S ATOM 1185 CE MET A 99 -8.489 -1.087 -1.249 1.00 0.00 C ATOM 0 H MET A 99 -6.025 4.935 -1.906 1.00 0.00 H new ATOM 0 HA MET A 99 -8.272 3.251 -2.338 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.931 2.464 -2.242 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.810 2.971 -0.568 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.157 0.557 -0.709 1.00 0.00 H new ATOM 0 HG3 MET A 99 -7.515 1.325 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 99 -9.175 -1.668 -1.865 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.564 -1.646 -1.109 1.00 0.00 H new ATOM 0 HE3 MET A 99 -8.947 -0.894 -0.279 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.869 4.492 0.698 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.547 4.732 1.969 1.00 0.00 C ATOM 1197 C ARG A 100 -9.866 5.471 1.756 1.00 0.00 C ATOM 1198 O ARG A 100 -10.929 4.988 2.147 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.640 5.535 2.904 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.282 5.878 4.239 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.365 6.748 5.086 1.00 0.00 C ATOM 1202 NE ARG A 100 -7.999 7.167 6.333 1.00 0.00 N ATOM 1203 CZ ARG A 100 -7.586 8.205 7.056 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -6.553 8.932 6.649 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -8.207 8.519 8.183 1.00 0.00 N ATOM 0 H ARG A 100 -6.942 4.912 0.630 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.768 3.767 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.728 4.967 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.346 6.459 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.225 6.398 4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.517 4.960 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.452 6.198 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.073 7.629 4.515 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.802 6.635 6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.074 8.696 5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.238 9.727 7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.003 7.965 8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.889 9.315 8.736 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.789 6.643 1.135 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.975 7.451 0.872 1.00 0.00 C ATOM 1221 C ASP A 101 -11.828 6.829 -0.229 1.00 0.00 C ATOM 1222 O ASP A 101 -12.959 7.254 -0.461 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.572 8.871 0.474 1.00 0.00 C ATOM 1224 CG ASP A 101 -9.858 9.605 1.592 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -8.618 9.488 1.682 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -10.539 10.295 2.378 1.00 0.00 O ATOM 0 H ASP A 101 -8.917 7.055 0.804 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.566 7.488 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -9.924 8.830 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.462 9.431 0.186 1.00 0.00 H new ATOM 1231 N SER A 102 -11.270 5.827 -0.904 1.00 0.00 N ATOM 1232 CA SER A 102 -11.965 5.133 -1.987 1.00 0.00 C ATOM 1233 C SER A 102 -12.460 6.118 -3.044 1.00 0.00 C ATOM 1234 O SER A 102 -12.119 7.301 -3.014 1.00 0.00 O ATOM 1235 CB SER A 102 -13.137 4.311 -1.439 1.00 0.00 C ATOM 1236 OG SER A 102 -14.190 5.145 -0.986 1.00 0.00 O ATOM 0 H SER A 102 -10.331 5.475 -0.718 1.00 0.00 H new ATOM 0 HA SER A 102 -11.253 4.456 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.509 3.643 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.790 3.683 -0.618 1.00 0.00 H new ATOM 0 HG SER A 102 -13.938 6.084 -1.106 1.00 0.00 H new ATOM 1242 N LYS A 103 -13.257 5.619 -3.983 1.00 0.00 N ATOM 1243 CA LYS A 103 -13.796 6.455 -5.051 1.00 0.00 C ATOM 1244 C LYS A 103 -15.320 6.505 -4.984 1.00 0.00 C ATOM 1245 O LYS A 103 -15.996 5.508 -5.240 1.00 0.00 O ATOM 1246 CB LYS A 103 -13.339 5.931 -6.416 1.00 0.00 C ATOM 1247 CG LYS A 103 -13.610 4.449 -6.625 1.00 0.00 C ATOM 1248 CD LYS A 103 -13.050 3.964 -7.953 1.00 0.00 C ATOM 1249 CE LYS A 103 -13.353 2.491 -8.180 1.00 0.00 C ATOM 1250 NZ LYS A 103 -12.776 1.997 -9.461 1.00 0.00 N ATOM 0 H LYS A 103 -13.544 4.641 -4.027 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.416 7.468 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.842 6.497 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.270 6.115 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.165 3.878 -5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.684 4.266 -6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.475 4.554 -8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -11.972 4.122 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -12.953 1.906 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.432 2.339 -8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.004 0.989 -9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.177 2.538 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -11.743 2.118 -9.446 1.00 0.00 H new ATOM 1264 N LEU A 104 -15.857 7.673 -4.636 1.00 0.00 N ATOM 1265 CA LEU A 104 -17.297 7.849 -4.525 1.00 0.00 C ATOM 1266 C LEU A 104 -17.651 9.324 -4.369 1.00 0.00 C ATOM 1267 O LEU A 104 -18.108 9.969 -5.313 1.00 0.00 O ATOM 1268 CB LEU A 104 -17.801 7.063 -3.322 1.00 0.00 C ATOM 1269 CG LEU A 104 -19.098 6.275 -3.542 1.00 0.00 C ATOM 1270 CD1 LEU A 104 -20.232 7.207 -3.940 1.00 0.00 C ATOM 1271 CD2 LEU A 104 -18.901 5.194 -4.594 1.00 0.00 C ATOM 0 H LEU A 104 -15.313 8.510 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 104 -17.772 7.481 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.022 6.366 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -17.954 7.757 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 104 -19.365 5.792 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -21.143 6.628 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -20.395 7.940 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.972 7.722 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -19.834 4.648 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -18.605 5.654 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -18.123 4.505 -4.266 1.00 0.00 H new ATOM 1283 N GLU A 105 -17.432 9.848 -3.168 1.00 0.00 N ATOM 1284 CA GLU A 105 -17.715 11.247 -2.874 1.00 0.00 C ATOM 1285 C GLU A 105 -16.473 11.923 -2.305 1.00 0.00 C ATOM 1286 O GLU A 105 -16.175 11.798 -1.116 1.00 0.00 O ATOM 1287 CB GLU A 105 -18.876 11.362 -1.885 1.00 0.00 C ATOM 1288 CG GLU A 105 -19.285 12.797 -1.588 1.00 0.00 C ATOM 1289 CD GLU A 105 -19.772 13.532 -2.821 1.00 0.00 C ATOM 1290 OE1 GLU A 105 -20.962 13.378 -3.171 1.00 0.00 O ATOM 1291 OE2 GLU A 105 -18.966 14.261 -3.436 1.00 0.00 O ATOM 0 H GLU A 105 -17.057 9.321 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 105 -17.998 11.747 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -19.736 10.823 -2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -18.597 10.872 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -20.073 12.798 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -18.436 13.332 -1.162 1.00 0.00 H new ATOM 1298 N TRP A 106 -15.750 12.632 -3.162 1.00 0.00 N ATOM 1299 CA TRP A 106 -14.533 13.317 -2.748 1.00 0.00 C ATOM 1300 C TRP A 106 -14.777 14.814 -2.605 1.00 0.00 C ATOM 1301 O TRP A 106 -13.837 15.596 -2.465 1.00 0.00 O ATOM 1302 CB TRP A 106 -13.416 13.065 -3.764 1.00 0.00 C ATOM 1303 CG TRP A 106 -13.471 11.709 -4.396 1.00 0.00 C ATOM 1304 CD1 TRP A 106 -12.770 10.603 -4.019 1.00 0.00 C ATOM 1305 CD2 TRP A 106 -14.266 11.318 -5.522 1.00 0.00 C ATOM 1306 NE1 TRP A 106 -13.079 9.548 -4.843 1.00 0.00 N ATOM 1307 CE2 TRP A 106 -13.994 9.964 -5.774 1.00 0.00 C ATOM 1308 CE3 TRP A 106 -15.180 11.984 -6.339 1.00 0.00 C ATOM 1309 CZ2 TRP A 106 -14.603 9.264 -6.814 1.00 0.00 C ATOM 1310 CZ3 TRP A 106 -15.785 11.289 -7.369 1.00 0.00 C ATOM 1311 CH2 TRP A 106 -15.495 9.941 -7.598 1.00 0.00 C ATOM 0 H TRP A 106 -15.985 12.748 -4.148 1.00 0.00 H new ATOM 0 HA TRP A 106 -14.231 12.922 -1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -13.470 13.823 -4.546 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -12.453 13.186 -3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -12.074 10.562 -3.194 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -12.690 8.608 -4.773 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -15.411 13.025 -6.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -14.378 8.223 -6.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -16.493 11.796 -8.007 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -15.985 9.424 -8.410 1.00 0.00 H new ATOM 1322 N LYS A 107 -16.047 15.202 -2.635 1.00 0.00 N ATOM 1323 CA LYS A 107 -16.422 16.606 -2.513 1.00 0.00 C ATOM 1324 C LYS A 107 -17.518 16.786 -1.467 1.00 0.00 C ATOM 1325 O LYS A 107 -18.705 16.652 -1.767 1.00 0.00 O ATOM 1326 CB LYS A 107 -16.893 17.149 -3.863 1.00 0.00 C ATOM 1327 CG LYS A 107 -15.877 16.965 -4.979 1.00 0.00 C ATOM 1328 CD LYS A 107 -16.431 17.418 -6.320 1.00 0.00 C ATOM 1329 CE LYS A 107 -15.424 17.201 -7.439 1.00 0.00 C ATOM 1330 NZ LYS A 107 -15.972 17.595 -8.766 1.00 0.00 N ATOM 0 H LYS A 107 -16.835 14.563 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 107 -15.543 17.165 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -17.821 16.651 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.119 18.210 -3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.975 17.531 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -15.588 15.916 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -17.347 16.869 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -16.697 18.474 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -14.523 17.778 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -15.131 16.151 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -15.254 17.431 -9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -16.817 17.026 -8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -16.228 18.603 -8.751 1.00 0.00 H new ATOM 1344 N ASP A 108 -17.109 17.080 -0.236 1.00 0.00 N ATOM 1345 CA ASP A 108 -18.052 17.278 0.858 1.00 0.00 C ATOM 1346 C ASP A 108 -17.748 18.569 1.615 1.00 0.00 C ATOM 1347 O ASP A 108 -18.376 19.601 1.296 1.00 0.00 O ATOM 1348 CB ASP A 108 -18.018 16.080 1.811 1.00 0.00 C ATOM 1349 CG ASP A 108 -16.616 15.758 2.294 1.00 0.00 C ATOM 1350 OD1 ASP A 108 -15.839 15.170 1.513 1.00 0.00 O ATOM 1351 OD2 ASP A 108 -16.298 16.091 3.455 1.00 0.00 O ATOM 1352 OXT ASP A 108 -16.885 18.540 2.517 1.00 0.00 O ATOM 0 H ASP A 108 -16.130 17.186 0.028 1.00 0.00 H new ATOM 0 HA ASP A 108 -19.053 17.362 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -18.656 16.286 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -18.434 15.208 1.307 1.00 0.00 H new TER 1357 ASP A 108