USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 934 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 85 GLN : amide:sc= -0.954 X(o=-1.1,f=-1.2!) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -158:sc= -0.137 (180deg=-0.577) USER MOD Set 1.3: A 101 SER OG : rot -160:sc= 0.0301 USER MOD Set 2.1: A 61 LYS NZ :NH3+ 173:sc= 0.369 (180deg=0) USER MOD Set 2.2: A 110 THR OG1 : rot 180:sc= 0.496 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= -0.962 USER MOD Set 3.2: A 29 ASN : amide:sc= -0.116 K(o=-1.1,f=-2.1) USER MOD Single : A 1 GLN : amide:sc= -0.216 K(o=-0.22,f=-0.89) USER MOD Single : A 1 GLN N :NH3+ -149:sc= -0.208 (180deg=-1.6!) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.384 F(o=-0.91,f=-0.38) USER MOD Single : A 15 GLN :FLIP amide:sc= 0.74 F(o=-9.7!,f=0.74) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 90:sc= -0.062 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -1.64 USER MOD Single : A 36 TYR OH : rot 90:sc= -0.0581 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 83:sc= 0.434 USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0315) USER MOD Single : A 48 ASN : amide:sc= -0.18 K(o=-0.18,f=-0.81) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.3) USER MOD Single : A 71 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.1) USER MOD Single : A 73 MET CE :methyl -125:sc= -0.973 (180deg=-2.06!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -1.55 F(o=-2.4!,f=-1.6) USER MOD Single : A 84 SER OG : rot -150:sc= -0.944 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 70:sc= -2.77! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -44:sc= 0.477 USER MOD Single : A 115 GLN : amide:sc= -1.1 K(o=-1.1,f=-6.4!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 24.349 -6.107 -15.658 1.00 0.00 N ATOM 2 CA GLN A 1 23.982 -7.447 -16.076 1.00 0.00 C ATOM 3 C GLN A 1 22.469 -7.598 -16.120 1.00 0.00 C ATOM 4 O GLN A 1 21.869 -7.534 -17.180 1.00 0.00 O ATOM 5 CB GLN A 1 24.602 -8.340 -15.053 1.00 0.00 C ATOM 6 CG GLN A 1 26.109 -8.287 -15.119 1.00 0.00 C ATOM 7 CD GLN A 1 26.762 -9.031 -14.016 1.00 0.00 C ATOM 8 OE1 GLN A 1 27.024 -10.226 -14.098 1.00 0.00 O ATOM 9 NE2 GLN A 1 27.005 -8.295 -12.942 1.00 0.00 N ATOM 0 H1 GLN A 1 25.249 -5.838 -16.105 1.00 0.00 H new ATOM 0 H2 GLN A 1 23.606 -5.438 -15.945 1.00 0.00 H new ATOM 0 H3 GLN A 1 24.455 -6.083 -14.624 1.00 0.00 H new ATOM 0 HA GLN A 1 24.329 -7.688 -17.081 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.269 -8.043 -14.058 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.265 -9.365 -15.210 1.00 0.00 H new ATOM 0 HG2 GLN A 1 26.440 -8.697 -16.073 1.00 0.00 H new ATOM 0 HG3 GLN A 1 26.432 -7.246 -15.090 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.763 -7.304 -12.937 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.434 -8.719 -12.120 1.00 0.00 H new ATOM 18 N CYS A 2 21.856 -7.796 -14.949 1.00 0.00 N ATOM 19 CA CYS A 2 20.403 -7.792 -14.833 1.00 0.00 C ATOM 20 C CYS A 2 19.963 -6.350 -14.944 1.00 0.00 C ATOM 21 O CYS A 2 18.816 -6.054 -15.259 1.00 0.00 O ATOM 22 CB CYS A 2 19.952 -8.463 -13.514 1.00 0.00 C ATOM 23 SG CYS A 2 20.798 -10.078 -13.268 1.00 0.00 S ATOM 0 H CYS A 2 22.348 -7.961 -14.071 1.00 0.00 H new ATOM 0 HA CYS A 2 19.934 -8.377 -15.624 1.00 0.00 H new ATOM 0 HB2 CYS A 2 20.170 -7.803 -12.674 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.873 -8.613 -13.530 1.00 0.00 H new ATOM 28 N ASN A 3 20.935 -5.448 -14.657 1.00 0.00 N ATOM 29 CA ASN A 3 20.759 -4.019 -14.762 1.00 0.00 C ATOM 30 C ASN A 3 19.607 -3.557 -13.869 1.00 0.00 C ATOM 31 O ASN A 3 18.863 -2.649 -14.209 1.00 0.00 O ATOM 32 CB ASN A 3 20.479 -3.707 -16.236 1.00 0.00 C ATOM 33 CG ASN A 3 20.497 -2.254 -16.573 1.00 0.00 C ATOM 34 OD1 ASN A 3 19.333 -1.709 -16.677 1.00 0.00 O flip ATOM 35 ND2 ASN A 3 21.548 -1.631 -16.714 1.00 0.00 N flip ATOM 0 H ASN A 3 21.867 -5.720 -14.344 1.00 0.00 H new ATOM 0 HA ASN A 3 21.651 -3.489 -14.428 1.00 0.00 H new ATOM 0 HB2 ASN A 3 21.220 -4.219 -16.850 1.00 0.00 H new ATOM 0 HB3 ASN A 3 19.505 -4.117 -16.503 1.00 0.00 H new ATOM 0 HD21 ASN A 3 22.443 -2.112 -16.621 1.00 0.00 H new ATOM 0 HD22 ASN A 3 21.525 -0.633 -16.924 1.00 0.00 H new ATOM 42 N ALA A 4 19.535 -4.170 -12.686 1.00 0.00 N ATOM 43 CA ALA A 4 18.534 -3.852 -11.671 1.00 0.00 C ATOM 44 C ALA A 4 17.128 -4.210 -12.110 1.00 0.00 C ATOM 45 O ALA A 4 16.696 -3.865 -13.200 1.00 0.00 O ATOM 46 CB ALA A 4 18.626 -2.396 -11.263 1.00 0.00 C ATOM 0 H ALA A 4 20.179 -4.910 -12.404 1.00 0.00 H new ATOM 0 HA ALA A 4 18.755 -4.469 -10.800 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.871 -2.182 -10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 4 19.616 -2.194 -10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 4 18.457 -1.763 -12.134 1.00 0.00 H new ATOM 52 N PRO A 5 16.392 -4.939 -11.254 1.00 0.00 N ATOM 53 CA PRO A 5 15.014 -5.361 -11.571 1.00 0.00 C ATOM 54 C PRO A 5 14.127 -4.194 -11.826 1.00 0.00 C ATOM 55 O PRO A 5 13.272 -4.229 -12.712 1.00 0.00 O ATOM 56 CB PRO A 5 14.574 -6.055 -10.270 1.00 0.00 C ATOM 57 CG PRO A 5 15.499 -5.542 -9.220 1.00 0.00 C ATOM 58 CD PRO A 5 16.809 -5.330 -9.907 1.00 0.00 C ATOM 0 HA PRO A 5 14.962 -5.983 -12.464 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.537 -5.820 -10.030 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.643 -7.139 -10.360 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.127 -4.612 -8.790 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.597 -6.255 -8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.402 -4.554 -9.423 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.416 -6.236 -9.915 1.00 0.00 H new ATOM 66 N GLU A 6 14.431 -3.151 -11.070 1.00 0.00 N ATOM 67 CA GLU A 6 13.789 -1.839 -11.082 1.00 0.00 C ATOM 68 C GLU A 6 13.549 -1.429 -9.652 1.00 0.00 C ATOM 69 O GLU A 6 13.869 -2.179 -8.722 1.00 0.00 O ATOM 70 CB GLU A 6 12.433 -1.784 -11.836 1.00 0.00 C ATOM 71 CG GLU A 6 11.290 -2.554 -11.170 1.00 0.00 C ATOM 72 CD GLU A 6 9.999 -2.458 -11.949 1.00 0.00 C ATOM 73 OE1 GLU A 6 9.681 -1.352 -12.462 1.00 0.00 O ATOM 74 OE2 GLU A 6 9.299 -3.480 -12.086 1.00 0.00 O ATOM 0 H GLU A 6 15.184 -3.198 -10.384 1.00 0.00 H new ATOM 0 HA GLU A 6 14.462 -1.169 -11.617 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.135 -0.741 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.578 -2.177 -12.842 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.572 -3.602 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.133 -2.167 -10.163 1.00 0.00 H new ATOM 81 N TRP A 7 13.006 -0.257 -9.466 1.00 0.00 N ATOM 82 CA TRP A 7 12.576 0.143 -8.167 1.00 0.00 C ATOM 83 C TRP A 7 11.245 -0.480 -7.866 1.00 0.00 C ATOM 84 O TRP A 7 10.266 -0.251 -8.569 1.00 0.00 O ATOM 85 CB TRP A 7 12.497 1.655 -8.057 1.00 0.00 C ATOM 86 CG TRP A 7 11.902 2.107 -6.764 1.00 0.00 C ATOM 87 CD1 TRP A 7 12.428 2.000 -5.515 1.00 0.00 C ATOM 88 CD2 TRP A 7 10.647 2.774 -6.619 1.00 0.00 C ATOM 89 NE1 TRP A 7 11.539 2.513 -4.593 1.00 0.00 N ATOM 90 CE2 TRP A 7 10.448 3.009 -5.253 1.00 0.00 C ATOM 91 CE3 TRP A 7 9.667 3.183 -7.526 1.00 0.00 C ATOM 92 CZ2 TRP A 7 9.302 3.639 -4.763 1.00 0.00 C ATOM 93 CZ3 TRP A 7 8.535 3.811 -7.045 1.00 0.00 C ATOM 94 CH2 TRP A 7 8.358 4.035 -5.676 1.00 0.00 C ATOM 0 H TRP A 7 12.854 0.433 -10.201 1.00 0.00 H new ATOM 0 HA TRP A 7 13.307 -0.201 -7.435 1.00 0.00 H new ATOM 0 HB2 TRP A 7 13.497 2.076 -8.159 1.00 0.00 H new ATOM 0 HB3 TRP A 7 11.902 2.045 -8.883 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.394 1.578 -5.280 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.674 2.521 -3.582 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.792 3.011 -8.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.164 3.808 -3.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 7.773 4.135 -7.738 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.462 4.529 -5.331 1.00 0.00 H new ATOM 105 N LEU A 8 11.219 -1.274 -6.811 1.00 0.00 N ATOM 106 CA LEU A 8 10.023 -1.943 -6.402 1.00 0.00 C ATOM 107 C LEU A 8 9.329 -1.078 -5.364 1.00 0.00 C ATOM 108 O LEU A 8 9.861 -0.856 -4.283 1.00 0.00 O ATOM 109 CB LEU A 8 10.357 -3.329 -5.838 1.00 0.00 C ATOM 110 CG LEU A 8 9.238 -4.369 -5.933 1.00 0.00 C ATOM 111 CD1 LEU A 8 8.785 -4.548 -7.382 1.00 0.00 C ATOM 112 CD2 LEU A 8 9.694 -5.692 -5.362 1.00 0.00 C ATOM 0 H LEU A 8 12.030 -1.465 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 8 9.359 -2.091 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.232 -3.714 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.637 -3.217 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 8 8.391 -4.009 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.989 -5.292 -7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.415 -3.598 -7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.627 -4.882 -7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.886 -6.419 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.558 -6.051 -5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.967 -5.562 -4.315 1.00 0.00 H new ATOM 124 N PRO A 9 8.135 -0.575 -5.681 1.00 0.00 N ATOM 125 CA PRO A 9 7.436 0.368 -4.815 1.00 0.00 C ATOM 126 C PRO A 9 7.037 -0.213 -3.461 1.00 0.00 C ATOM 127 O PRO A 9 6.845 0.528 -2.503 1.00 0.00 O ATOM 128 CB PRO A 9 6.157 0.723 -5.573 1.00 0.00 C ATOM 129 CG PRO A 9 6.121 -0.110 -6.816 1.00 0.00 C ATOM 130 CD PRO A 9 7.420 -0.851 -6.929 1.00 0.00 C ATOM 0 HA PRO A 9 8.093 1.211 -4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.280 0.528 -4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.142 1.784 -5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.287 -0.811 -6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.968 0.522 -7.691 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.252 -1.920 -7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.992 -0.512 -7.793 1.00 0.00 H new ATOM 138 N PHE A 10 6.914 -1.524 -3.376 1.00 0.00 N ATOM 139 CA PHE A 10 6.473 -2.142 -2.129 1.00 0.00 C ATOM 140 C PHE A 10 7.609 -2.846 -1.394 1.00 0.00 C ATOM 141 O PHE A 10 7.368 -3.550 -0.410 1.00 0.00 O ATOM 142 CB PHE A 10 5.321 -3.137 -2.360 1.00 0.00 C ATOM 143 CG PHE A 10 5.271 -3.771 -3.732 1.00 0.00 C ATOM 144 CD1 PHE A 10 5.940 -4.966 -3.978 1.00 0.00 C ATOM 145 CD2 PHE A 10 4.543 -3.195 -4.762 1.00 0.00 C ATOM 146 CE1 PHE A 10 5.883 -5.571 -5.218 1.00 0.00 C ATOM 147 CE2 PHE A 10 4.487 -3.797 -6.010 1.00 0.00 C ATOM 148 CZ PHE A 10 5.156 -4.985 -6.235 1.00 0.00 C ATOM 0 H PHE A 10 7.108 -2.176 -4.137 1.00 0.00 H new ATOM 0 HA PHE A 10 6.116 -1.323 -1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.395 -3.930 -1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.378 -2.620 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.513 -5.427 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.015 -2.269 -4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.406 -6.500 -5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.920 -3.337 -6.806 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.110 -5.455 -7.206 1.00 0.00 H new ATOM 158 N ALA A 11 8.834 -2.658 -1.844 1.00 0.00 N ATOM 159 CA ALA A 11 9.958 -3.346 -1.228 1.00 0.00 C ATOM 160 C ALA A 11 11.193 -2.473 -1.179 1.00 0.00 C ATOM 161 O ALA A 11 11.400 -1.638 -2.042 1.00 0.00 O ATOM 162 CB ALA A 11 10.256 -4.641 -1.973 1.00 0.00 C ATOM 0 H ALA A 11 9.078 -2.045 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 11 9.679 -3.579 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.099 -5.146 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.380 -5.289 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.502 -4.415 -3.011 1.00 0.00 H new ATOM 168 N ARG A 12 12.014 -2.674 -0.158 1.00 0.00 N ATOM 169 CA ARG A 12 13.267 -1.938 -0.049 1.00 0.00 C ATOM 170 C ARG A 12 14.418 -2.888 0.315 1.00 0.00 C ATOM 171 O ARG A 12 14.694 -3.163 1.485 1.00 0.00 O ATOM 172 CB ARG A 12 13.159 -0.682 0.893 1.00 0.00 C ATOM 173 CG ARG A 12 12.947 -0.951 2.391 1.00 0.00 C ATOM 174 CD ARG A 12 11.620 -1.642 2.672 1.00 0.00 C ATOM 175 NE ARG A 12 11.358 -1.766 4.110 1.00 0.00 N ATOM 176 CZ ARG A 12 11.914 -2.695 4.896 1.00 0.00 C ATOM 177 NH1 ARG A 12 12.903 -3.452 4.429 1.00 0.00 N ATOM 178 NH2 ARG A 12 11.525 -2.828 6.164 1.00 0.00 N ATOM 0 H ARG A 12 11.839 -3.334 0.600 1.00 0.00 H new ATOM 0 HA ARG A 12 13.498 -1.519 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.070 -0.094 0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.334 -0.063 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.763 -1.569 2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.986 -0.008 2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.812 -1.080 2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.624 -2.633 2.218 1.00 0.00 H new ATOM 0 HE ARG A 12 10.712 -1.103 4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.236 -3.324 3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.328 -4.161 5.026 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.799 -2.219 6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.954 -3.539 6.757 1.00 0.00 H new ATOM 192 N PRO A 13 15.055 -3.456 -0.727 1.00 0.00 N ATOM 193 CA PRO A 13 16.177 -4.364 -0.605 1.00 0.00 C ATOM 194 C PRO A 13 17.399 -3.658 -0.135 1.00 0.00 C ATOM 195 O PRO A 13 17.571 -2.459 -0.348 1.00 0.00 O ATOM 196 CB PRO A 13 16.384 -4.953 -1.989 1.00 0.00 C ATOM 197 CG PRO A 13 15.237 -4.486 -2.792 1.00 0.00 C ATOM 198 CD PRO A 13 14.724 -3.232 -2.134 1.00 0.00 C ATOM 0 HA PRO A 13 15.978 -5.140 0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.327 -4.619 -2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.419 -6.042 -1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.541 -4.286 -3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.458 -5.247 -2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.209 -2.339 -2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.652 -3.104 -2.284 1.00 0.00 H new ATOM 206 N THR A 14 18.251 -4.406 0.455 1.00 0.00 N ATOM 207 CA THR A 14 19.386 -3.890 1.162 1.00 0.00 C ATOM 208 C THR A 14 20.595 -3.749 0.235 1.00 0.00 C ATOM 209 O THR A 14 21.658 -3.288 0.636 1.00 0.00 O ATOM 210 CB THR A 14 19.746 -4.923 2.230 1.00 0.00 C ATOM 211 OG1 THR A 14 20.248 -6.119 1.595 1.00 0.00 O ATOM 212 CG2 THR A 14 18.518 -5.314 3.015 1.00 0.00 C ATOM 0 H THR A 14 18.187 -5.424 0.467 1.00 0.00 H new ATOM 0 HA THR A 14 19.144 -2.912 1.577 1.00 0.00 H new ATOM 0 HB THR A 14 20.495 -4.484 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.480 -6.780 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.789 -6.050 3.772 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.100 -4.432 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.777 -5.743 2.341 1.00 0.00 H new ATOM 220 N GLN A 15 20.407 -4.127 -1.005 1.00 0.00 N ATOM 221 CA GLN A 15 21.518 -4.268 -1.924 1.00 0.00 C ATOM 222 C GLN A 15 21.266 -3.354 -3.129 1.00 0.00 C ATOM 223 O GLN A 15 22.122 -2.682 -3.612 1.00 0.00 O ATOM 224 CB GLN A 15 21.408 -5.657 -2.420 1.00 0.00 C ATOM 225 CG GLN A 15 21.350 -6.692 -1.361 1.00 0.00 C ATOM 226 CD GLN A 15 20.968 -7.938 -2.029 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.680 -8.001 -2.297 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 21.782 -8.742 -2.441 1.00 0.00 N flip ATOM 0 H GLN A 15 19.494 -4.344 -1.406 1.00 0.00 H new ATOM 0 HA GLN A 15 22.476 -4.034 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.513 -5.738 -3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.261 -5.866 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.315 -6.796 -0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.624 -6.423 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.768 -8.640 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 15 21.479 -9.519 -3.029 1.00 0.00 H new ATOM 237 N LEU A 16 20.024 -3.291 -3.501 1.00 0.00 N ATOM 238 CA LEU A 16 19.546 -2.646 -4.708 1.00 0.00 C ATOM 239 C LEU A 16 19.799 -1.164 -4.798 1.00 0.00 C ATOM 240 O LEU A 16 20.167 -0.667 -5.857 1.00 0.00 O ATOM 241 CB LEU A 16 18.067 -3.014 -4.909 1.00 0.00 C ATOM 242 CG LEU A 16 17.328 -2.349 -6.055 1.00 0.00 C ATOM 243 CD1 LEU A 16 16.235 -3.253 -6.549 1.00 0.00 C ATOM 244 CD2 LEU A 16 16.706 -1.072 -5.537 1.00 0.00 C ATOM 0 H LEU A 16 19.271 -3.705 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 16 20.143 -3.032 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.005 -4.093 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.535 -2.783 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 16 18.020 -2.141 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.708 -2.770 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.668 -4.191 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.535 -3.454 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 16 16.168 -0.575 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.012 -1.307 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.488 -0.412 -5.163 1.00 0.00 H new ATOM 256 N THR A 17 19.616 -0.489 -3.735 1.00 0.00 N ATOM 257 CA THR A 17 19.610 0.935 -3.741 1.00 0.00 C ATOM 258 C THR A 17 20.951 1.512 -4.206 1.00 0.00 C ATOM 259 O THR A 17 20.984 2.442 -5.004 1.00 0.00 O ATOM 260 CB THR A 17 19.263 1.462 -2.326 1.00 0.00 C ATOM 261 OG1 THR A 17 19.215 2.893 -2.314 1.00 0.00 O ATOM 262 CG2 THR A 17 20.288 0.959 -1.299 1.00 0.00 C ATOM 0 H THR A 17 19.463 -0.906 -2.817 1.00 0.00 H new ATOM 0 HA THR A 17 18.851 1.263 -4.452 1.00 0.00 H new ATOM 0 HB THR A 17 18.278 1.081 -2.055 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.993 3.205 -1.412 1.00 0.00 H new ATOM 0 HG21 THR A 17 20.029 1.339 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.282 -0.131 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.282 1.312 -1.574 1.00 0.00 H new ATOM 270 N ASP A 18 22.040 0.978 -3.685 1.00 0.00 N ATOM 271 CA ASP A 18 23.351 1.516 -3.995 1.00 0.00 C ATOM 272 C ASP A 18 24.046 0.719 -5.068 1.00 0.00 C ATOM 273 O ASP A 18 25.130 1.097 -5.514 1.00 0.00 O ATOM 274 CB ASP A 18 24.222 1.496 -2.736 1.00 0.00 C ATOM 275 CG ASP A 18 23.743 2.412 -1.650 1.00 0.00 C ATOM 276 OD1 ASP A 18 22.978 3.346 -1.944 1.00 0.00 O ATOM 277 OD2 ASP A 18 24.105 2.170 -0.472 1.00 0.00 O ATOM 0 H ASP A 18 22.044 0.179 -3.051 1.00 0.00 H new ATOM 0 HA ASP A 18 23.210 2.535 -4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.260 0.478 -2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.241 1.772 -3.007 1.00 0.00 H new ATOM 282 N GLU A 19 23.442 -0.380 -5.504 1.00 0.00 N ATOM 283 CA GLU A 19 24.217 -1.307 -6.296 1.00 0.00 C ATOM 284 C GLU A 19 23.609 -1.506 -7.690 1.00 0.00 C ATOM 285 O GLU A 19 24.236 -1.220 -8.697 1.00 0.00 O ATOM 286 CB GLU A 19 24.250 -2.610 -5.530 1.00 0.00 C ATOM 287 CG GLU A 19 24.897 -2.407 -4.153 1.00 0.00 C ATOM 288 CD GLU A 19 25.003 -3.649 -3.287 1.00 0.00 C ATOM 289 OE1 GLU A 19 24.623 -4.734 -3.740 1.00 0.00 O ATOM 290 OE2 GLU A 19 25.468 -3.515 -2.128 1.00 0.00 O ATOM 0 H GLU A 19 22.470 -0.637 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 19 25.223 -0.920 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 19 23.237 -2.994 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.809 -3.357 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.898 -2.001 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 19 24.324 -1.655 -3.610 1.00 0.00 H new ATOM 297 N PHE A 20 22.361 -1.976 -7.700 1.00 0.00 N ATOM 298 CA PHE A 20 21.533 -2.181 -8.917 1.00 0.00 C ATOM 299 C PHE A 20 22.032 -3.333 -9.836 1.00 0.00 C ATOM 300 O PHE A 20 21.228 -4.044 -10.436 1.00 0.00 O ATOM 301 CB PHE A 20 21.444 -0.891 -9.752 1.00 0.00 C ATOM 302 CG PHE A 20 20.665 0.237 -9.108 1.00 0.00 C ATOM 303 CD1 PHE A 20 19.281 0.209 -9.064 1.00 0.00 C ATOM 304 CD2 PHE A 20 21.326 1.321 -8.544 1.00 0.00 C ATOM 305 CE1 PHE A 20 18.568 1.238 -8.477 1.00 0.00 C ATOM 306 CE2 PHE A 20 20.623 2.352 -7.960 1.00 0.00 C ATOM 307 CZ PHE A 20 19.236 2.312 -7.925 1.00 0.00 C ATOM 0 H PHE A 20 21.873 -2.236 -6.843 1.00 0.00 H new ATOM 0 HA PHE A 20 20.550 -2.463 -8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 20 22.455 -0.541 -9.961 1.00 0.00 H new ATOM 0 HB3 PHE A 20 20.984 -1.128 -10.711 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.751 -0.628 -9.494 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.405 1.356 -8.564 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.489 1.201 -8.451 1.00 0.00 H new ATOM 0 HE2 PHE A 20 21.151 3.190 -7.530 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.682 3.118 -7.468 1.00 0.00 H new ATOM 317 N GLU A 21 23.312 -3.544 -9.901 1.00 0.00 N ATOM 318 CA GLU A 21 23.883 -4.547 -10.826 1.00 0.00 C ATOM 319 C GLU A 21 24.222 -5.876 -10.144 1.00 0.00 C ATOM 320 O GLU A 21 25.026 -5.927 -9.218 1.00 0.00 O ATOM 321 CB GLU A 21 25.153 -3.989 -11.482 1.00 0.00 C ATOM 322 CG GLU A 21 25.897 -3.043 -10.578 1.00 0.00 C ATOM 323 CD GLU A 21 27.268 -2.666 -11.103 1.00 0.00 C ATOM 324 OE1 GLU A 21 28.036 -3.589 -11.463 1.00 0.00 O ATOM 325 OE2 GLU A 21 27.596 -1.462 -11.143 1.00 0.00 O ATOM 0 H GLU A 21 24.002 -3.049 -9.336 1.00 0.00 H new ATOM 0 HA GLU A 21 23.114 -4.749 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 21 25.809 -4.815 -11.758 1.00 0.00 H new ATOM 0 HB3 GLU A 21 24.886 -3.472 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 21 25.305 -2.138 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 21 26.005 -3.501 -9.595 1.00 0.00 H new ATOM 332 N PHE A 22 23.600 -6.954 -10.632 1.00 0.00 N ATOM 333 CA PHE A 22 23.891 -8.297 -10.136 1.00 0.00 C ATOM 334 C PHE A 22 23.954 -9.316 -11.291 1.00 0.00 C ATOM 335 O PHE A 22 23.347 -9.103 -12.334 1.00 0.00 O ATOM 336 CB PHE A 22 22.856 -8.754 -9.095 1.00 0.00 C ATOM 337 CG PHE A 22 22.913 -7.986 -7.821 1.00 0.00 C ATOM 338 CD1 PHE A 22 23.817 -8.333 -6.837 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.073 -6.904 -7.612 1.00 0.00 C ATOM 340 CE1 PHE A 22 23.889 -7.624 -5.668 1.00 0.00 C ATOM 341 CE2 PHE A 22 22.143 -6.183 -6.447 1.00 0.00 C ATOM 342 CZ PHE A 22 23.054 -6.544 -5.470 1.00 0.00 C ATOM 0 H PHE A 22 22.894 -6.920 -11.368 1.00 0.00 H new ATOM 0 HA PHE A 22 24.867 -8.251 -9.653 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.858 -8.660 -9.522 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.012 -9.811 -8.880 1.00 0.00 H new ATOM 0 HD1 PHE A 22 24.476 -9.175 -6.991 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.358 -6.626 -8.372 1.00 0.00 H new ATOM 0 HE1 PHE A 22 24.597 -7.909 -4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 22 21.490 -5.337 -6.293 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.111 -5.979 -4.551 1.00 0.00 H new ATOM 352 N PRO A 23 24.767 -10.387 -11.127 1.00 0.00 N ATOM 353 CA PRO A 23 24.904 -11.507 -12.091 1.00 0.00 C ATOM 354 C PRO A 23 23.675 -12.424 -12.136 1.00 0.00 C ATOM 355 O PRO A 23 22.929 -12.518 -11.164 1.00 0.00 O ATOM 356 CB PRO A 23 26.121 -12.297 -11.594 1.00 0.00 C ATOM 357 CG PRO A 23 26.737 -11.447 -10.529 1.00 0.00 C ATOM 358 CD PRO A 23 25.636 -10.607 -9.963 1.00 0.00 C ATOM 0 HA PRO A 23 25.011 -11.122 -13.105 1.00 0.00 H new ATOM 0 HB2 PRO A 23 25.824 -13.269 -11.199 1.00 0.00 H new ATOM 0 HB3 PRO A 23 26.826 -12.484 -12.404 1.00 0.00 H new ATOM 0 HG2 PRO A 23 27.191 -12.065 -9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.529 -10.822 -10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.111 -11.118 -9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.011 -9.669 -9.555 1.00 0.00 H new ATOM 366 N ILE A 24 23.488 -13.118 -13.255 1.00 0.00 N ATOM 367 CA ILE A 24 22.392 -14.091 -13.400 1.00 0.00 C ATOM 368 C ILE A 24 22.686 -15.282 -12.493 1.00 0.00 C ATOM 369 O ILE A 24 23.802 -15.800 -12.481 1.00 0.00 O ATOM 370 CB ILE A 24 22.237 -14.590 -14.888 1.00 0.00 C ATOM 371 CG1 ILE A 24 21.521 -13.540 -15.753 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.478 -15.920 -14.948 1.00 0.00 C ATOM 373 CD1 ILE A 24 22.317 -12.268 -15.985 1.00 0.00 C ATOM 0 H ILE A 24 24.080 -13.029 -14.081 1.00 0.00 H new ATOM 0 HA ILE A 24 21.457 -13.605 -13.121 1.00 0.00 H new ATOM 0 HB ILE A 24 23.240 -14.743 -15.285 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.281 -13.985 -16.719 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.575 -13.280 -15.278 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.386 -16.240 -15.986 1.00 0.00 H new ATOM 0 HG22 ILE A 24 22.023 -16.676 -14.382 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.484 -15.792 -14.519 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.737 -11.584 -16.604 1.00 0.00 H new ATOM 0 HD12 ILE A 24 22.534 -11.795 -15.027 1.00 0.00 H new ATOM 0 HD13 ILE A 24 23.252 -12.511 -16.490 1.00 0.00 H new ATOM 385 N GLY A 25 21.679 -15.706 -11.727 1.00 0.00 N ATOM 386 CA GLY A 25 21.901 -16.745 -10.737 1.00 0.00 C ATOM 387 C GLY A 25 22.315 -16.181 -9.371 1.00 0.00 C ATOM 388 O GLY A 25 22.938 -16.877 -8.563 1.00 0.00 O ATOM 0 H GLY A 25 20.724 -15.351 -11.775 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.990 -17.333 -10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.675 -17.424 -11.095 1.00 0.00 H new ATOM 392 N THR A 26 21.955 -14.923 -9.128 1.00 0.00 N ATOM 393 CA THR A 26 22.252 -14.257 -7.873 1.00 0.00 C ATOM 394 C THR A 26 20.960 -13.918 -7.144 1.00 0.00 C ATOM 395 O THR A 26 20.024 -13.368 -7.724 1.00 0.00 O ATOM 396 CB THR A 26 23.062 -12.967 -8.094 1.00 0.00 C ATOM 397 OG1 THR A 26 24.305 -13.291 -8.736 1.00 0.00 O ATOM 398 CG2 THR A 26 23.342 -12.266 -6.762 1.00 0.00 C ATOM 0 H THR A 26 21.450 -14.342 -9.797 1.00 0.00 H new ATOM 0 HA THR A 26 22.851 -14.941 -7.272 1.00 0.00 H new ATOM 0 HB THR A 26 22.481 -12.293 -8.724 1.00 0.00 H new ATOM 0 HG1 THR A 26 24.188 -13.262 -9.709 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.916 -11.357 -6.943 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.398 -12.010 -6.280 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.912 -12.931 -6.113 1.00 0.00 H new ATOM 406 N TYR A 27 20.920 -14.286 -5.883 1.00 0.00 N ATOM 407 CA TYR A 27 19.747 -14.119 -5.041 1.00 0.00 C ATOM 408 C TYR A 27 19.831 -12.808 -4.216 1.00 0.00 C ATOM 409 O TYR A 27 20.847 -12.507 -3.595 1.00 0.00 O ATOM 410 CB TYR A 27 19.687 -15.345 -4.102 1.00 0.00 C ATOM 411 CG TYR A 27 19.279 -16.647 -4.780 1.00 0.00 C ATOM 412 CD1 TYR A 27 20.119 -17.270 -5.696 1.00 0.00 C ATOM 413 CD2 TYR A 27 18.068 -17.278 -4.471 1.00 0.00 C ATOM 414 CE1 TYR A 27 19.769 -18.460 -6.296 1.00 0.00 C ATOM 415 CE2 TYR A 27 17.715 -18.473 -5.066 1.00 0.00 C ATOM 416 CZ TYR A 27 18.570 -19.056 -5.983 1.00 0.00 C ATOM 417 OH TYR A 27 18.217 -20.241 -6.591 1.00 0.00 O ATOM 0 H TYR A 27 21.710 -14.716 -5.403 1.00 0.00 H new ATOM 0 HA TYR A 27 18.848 -14.050 -5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.666 -15.482 -3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.983 -15.135 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 27 21.065 -16.812 -5.942 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.399 -16.823 -3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.434 -18.923 -7.010 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.778 -18.949 -4.817 1.00 0.00 H new ATOM 0 HH TYR A 27 17.341 -20.530 -6.260 1.00 0.00 H new ATOM 427 N LEU A 28 18.731 -12.056 -4.234 1.00 0.00 N ATOM 428 CA LEU A 28 18.606 -10.723 -3.551 1.00 0.00 C ATOM 429 C LEU A 28 17.657 -10.701 -2.357 1.00 0.00 C ATOM 430 O LEU A 28 16.624 -11.341 -2.345 1.00 0.00 O ATOM 431 CB LEU A 28 18.226 -9.595 -4.532 1.00 0.00 C ATOM 432 CG LEU A 28 19.362 -8.970 -5.363 1.00 0.00 C ATOM 433 CD1 LEU A 28 20.091 -10.011 -6.183 1.00 0.00 C ATOM 434 CD2 LEU A 28 18.805 -7.864 -6.265 1.00 0.00 C ATOM 0 H LEU A 28 17.881 -12.338 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 28 19.607 -10.543 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.479 -9.986 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.748 -8.799 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 28 20.085 -8.535 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.885 -9.532 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.523 -10.760 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.391 -10.492 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.616 -7.428 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.059 -8.285 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.344 -7.091 -5.650 1.00 0.00 H new ATOM 446 N ASN A 29 18.029 -9.881 -1.386 1.00 0.00 N ATOM 447 CA ASN A 29 17.334 -9.729 -0.137 1.00 0.00 C ATOM 448 C ASN A 29 16.271 -8.636 -0.256 1.00 0.00 C ATOM 449 O ASN A 29 16.576 -7.450 -0.337 1.00 0.00 O ATOM 450 CB ASN A 29 18.361 -9.304 0.924 1.00 0.00 C ATOM 451 CG ASN A 29 17.894 -9.557 2.341 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.157 -10.499 2.595 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.344 -8.730 3.278 1.00 0.00 N ATOM 0 H ASN A 29 18.854 -9.286 -1.458 1.00 0.00 H new ATOM 0 HA ASN A 29 16.850 -10.667 0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.293 -9.842 0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.579 -8.243 0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.076 -8.869 4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.957 -7.956 3.023 1.00 0.00 H new ATOM 460 N TYR A 30 15.047 -9.086 -0.309 1.00 0.00 N ATOM 461 CA TYR A 30 13.826 -8.253 -0.382 1.00 0.00 C ATOM 462 C TYR A 30 12.919 -8.351 0.831 1.00 0.00 C ATOM 463 O TYR A 30 12.688 -9.425 1.370 1.00 0.00 O ATOM 464 CB TYR A 30 13.051 -8.551 -1.665 1.00 0.00 C ATOM 465 CG TYR A 30 13.619 -7.895 -2.885 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.887 -8.182 -3.363 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.844 -6.987 -3.587 1.00 0.00 C ATOM 468 CE1 TYR A 30 15.364 -7.557 -4.493 1.00 0.00 C ATOM 469 CE2 TYR A 30 13.309 -6.370 -4.716 1.00 0.00 C ATOM 470 CZ TYR A 30 14.566 -6.652 -5.162 1.00 0.00 C ATOM 471 OH TYR A 30 15.040 -6.024 -6.266 1.00 0.00 O ATOM 0 H TYR A 30 14.839 -10.085 -0.304 1.00 0.00 H new ATOM 0 HA TYR A 30 14.177 -7.221 -0.393 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.029 -9.629 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.018 -8.226 -1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.505 -8.901 -2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.849 -6.761 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.358 -7.774 -4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.686 -5.666 -5.249 1.00 0.00 H new ATOM 0 HH TYR A 30 14.354 -5.420 -6.619 1.00 0.00 H new ATOM 481 N GLU A 31 12.411 -7.198 1.239 1.00 0.00 N ATOM 482 CA GLU A 31 11.473 -7.101 2.336 1.00 0.00 C ATOM 483 C GLU A 31 10.345 -6.156 1.920 1.00 0.00 C ATOM 484 O GLU A 31 10.578 -5.211 1.164 1.00 0.00 O ATOM 485 CB GLU A 31 12.185 -6.591 3.596 1.00 0.00 C ATOM 486 CG GLU A 31 11.313 -6.536 4.859 1.00 0.00 C ATOM 487 CD GLU A 31 12.071 -6.064 6.107 1.00 0.00 C ATOM 488 OE1 GLU A 31 13.207 -5.553 5.969 1.00 0.00 O ATOM 489 OE2 GLU A 31 11.522 -6.188 7.220 1.00 0.00 O ATOM 0 H GLU A 31 12.642 -6.301 0.813 1.00 0.00 H new ATOM 0 HA GLU A 31 11.057 -8.081 2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.044 -7.232 3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.572 -5.592 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.471 -5.867 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.899 -7.526 5.048 1.00 0.00 H new ATOM 496 N CYS A 32 9.142 -6.399 2.405 1.00 0.00 N ATOM 497 CA CYS A 32 7.982 -5.597 2.007 1.00 0.00 C ATOM 498 C CYS A 32 7.785 -4.403 2.920 1.00 0.00 C ATOM 499 O CYS A 32 8.195 -4.432 4.089 1.00 0.00 O ATOM 500 CB CYS A 32 6.659 -6.400 2.006 1.00 0.00 C ATOM 501 SG CYS A 32 6.524 -7.760 0.799 1.00 0.00 S ATOM 0 H CYS A 32 8.935 -7.141 3.073 1.00 0.00 H new ATOM 0 HA CYS A 32 8.207 -5.273 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.513 -6.815 3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.839 -5.704 1.827 1.00 0.00 H new ATOM 506 N ARG A 33 7.218 -3.321 2.359 1.00 0.00 N ATOM 507 CA ARG A 33 6.774 -2.189 3.173 1.00 0.00 C ATOM 508 C ARG A 33 5.894 -2.732 4.303 1.00 0.00 C ATOM 509 O ARG A 33 5.309 -3.817 4.162 1.00 0.00 O ATOM 510 CB ARG A 33 5.949 -1.214 2.327 1.00 0.00 C ATOM 511 CG ARG A 33 6.748 -0.208 1.532 1.00 0.00 C ATOM 512 CD ARG A 33 5.824 0.656 0.694 1.00 0.00 C ATOM 513 NE ARG A 33 6.514 1.822 0.143 1.00 0.00 N ATOM 514 CZ ARG A 33 5.930 2.772 -0.594 1.00 0.00 C ATOM 515 NH1 ARG A 33 4.643 2.666 -0.918 1.00 0.00 N ATOM 516 NH2 ARG A 33 6.638 3.810 -1.020 1.00 0.00 N ATOM 0 H ARG A 33 7.060 -3.212 1.357 1.00 0.00 H new ATOM 0 HA ARG A 33 7.642 -1.662 3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.333 -1.790 1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.269 -0.674 2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.330 0.419 2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.458 -0.726 0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.411 0.061 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.984 0.987 1.305 1.00 0.00 H new ATOM 0 HE ARG A 33 7.511 1.917 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.103 1.860 -0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.197 3.391 -1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.628 3.883 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.192 4.535 -1.582 1.00 0.00 H new ATOM 530 N PRO A 34 5.767 -2.022 5.423 1.00 0.00 N ATOM 531 CA PRO A 34 5.001 -2.544 6.529 1.00 0.00 C ATOM 532 C PRO A 34 3.536 -2.757 6.133 1.00 0.00 C ATOM 533 O PRO A 34 2.950 -1.973 5.383 1.00 0.00 O ATOM 534 CB PRO A 34 5.119 -1.452 7.605 1.00 0.00 C ATOM 535 CG PRO A 34 6.273 -0.603 7.190 1.00 0.00 C ATOM 536 CD PRO A 34 6.320 -0.686 5.692 1.00 0.00 C ATOM 0 HA PRO A 34 5.364 -3.515 6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.203 -0.864 7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.287 -1.888 8.590 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.140 0.427 7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.202 -0.963 7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.726 0.099 5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.337 -0.585 5.313 1.00 0.00 H new ATOM 544 N GLY A 35 2.972 -3.819 6.651 1.00 0.00 N ATOM 545 CA GLY A 35 1.580 -4.125 6.432 1.00 0.00 C ATOM 546 C GLY A 35 1.278 -4.831 5.103 1.00 0.00 C ATOM 547 O GLY A 35 0.134 -5.188 4.832 1.00 0.00 O ATOM 0 H GLY A 35 3.464 -4.495 7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.228 -4.754 7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.008 -3.198 6.473 1.00 0.00 H new ATOM 551 N TYR A 36 2.296 -5.064 4.287 1.00 0.00 N ATOM 552 CA TYR A 36 2.107 -5.838 3.057 1.00 0.00 C ATOM 553 C TYR A 36 2.141 -7.324 3.232 1.00 0.00 C ATOM 554 O TYR A 36 2.915 -7.869 4.013 1.00 0.00 O ATOM 555 CB TYR A 36 2.996 -5.423 1.880 1.00 0.00 C ATOM 556 CG TYR A 36 2.615 -4.136 1.213 1.00 0.00 C ATOM 557 CD1 TYR A 36 3.106 -2.906 1.593 1.00 0.00 C ATOM 558 CD2 TYR A 36 1.735 -4.191 0.143 1.00 0.00 C ATOM 559 CE1 TYR A 36 2.716 -1.753 0.908 1.00 0.00 C ATOM 560 CE2 TYR A 36 1.346 -3.074 -0.533 1.00 0.00 C ATOM 561 CZ TYR A 36 1.829 -1.857 -0.160 1.00 0.00 C ATOM 562 OH TYR A 36 1.434 -0.731 -0.852 1.00 0.00 O ATOM 0 H TYR A 36 3.249 -4.737 4.445 1.00 0.00 H new ATOM 0 HA TYR A 36 1.084 -5.567 2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.024 -5.340 2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.979 -6.218 1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.794 -2.833 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.345 -5.150 -0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.100 -0.788 1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.657 -3.154 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 36 2.052 -0.571 -1.596 1.00 0.00 H new ATOM 572 N SER A 37 1.242 -7.963 2.503 1.00 0.00 N ATOM 573 CA SER A 37 1.123 -9.381 2.423 1.00 0.00 C ATOM 574 C SER A 37 2.131 -9.907 1.405 1.00 0.00 C ATOM 575 O SER A 37 2.858 -9.135 0.789 1.00 0.00 O ATOM 576 CB SER A 37 -0.296 -9.752 2.021 1.00 0.00 C ATOM 577 OG SER A 37 -1.213 -9.311 3.004 1.00 0.00 O ATOM 0 H SER A 37 0.553 -7.473 1.932 1.00 0.00 H new ATOM 0 HA SER A 37 1.333 -9.831 3.393 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.539 -9.302 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.376 -10.832 1.897 1.00 0.00 H new ATOM 0 HG SER A 37 -2.123 -9.553 2.734 1.00 0.00 H new ATOM 583 N GLY A 38 2.142 -11.184 1.216 1.00 0.00 N ATOM 584 CA GLY A 38 3.132 -11.801 0.366 1.00 0.00 C ATOM 585 C GLY A 38 4.306 -12.273 1.183 1.00 0.00 C ATOM 586 O GLY A 38 4.391 -11.970 2.372 1.00 0.00 O ATOM 0 H GLY A 38 1.477 -11.833 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.689 -12.643 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.468 -11.089 -0.387 1.00 0.00 H new ATOM 590 N ARG A 39 5.207 -13.011 0.577 1.00 0.00 N ATOM 591 CA ARG A 39 6.331 -13.524 1.315 1.00 0.00 C ATOM 592 C ARG A 39 7.593 -13.520 0.445 1.00 0.00 C ATOM 593 O ARG A 39 7.924 -14.510 -0.209 1.00 0.00 O ATOM 594 CB ARG A 39 6.028 -14.932 1.815 1.00 0.00 C ATOM 595 CG ARG A 39 6.601 -15.262 3.189 1.00 0.00 C ATOM 596 CD ARG A 39 8.092 -15.018 3.244 1.00 0.00 C ATOM 597 NE ARG A 39 8.708 -15.668 4.397 1.00 0.00 N ATOM 598 CZ ARG A 39 9.953 -15.443 4.802 1.00 0.00 C ATOM 599 NH1 ARG A 39 10.710 -14.530 4.178 1.00 0.00 N ATOM 600 NH2 ARG A 39 10.449 -16.136 5.824 1.00 0.00 N ATOM 0 H ARG A 39 5.183 -13.265 -0.411 1.00 0.00 H new ATOM 0 HA ARG A 39 6.510 -12.879 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.947 -15.066 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.417 -15.650 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.104 -14.655 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.393 -16.305 3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.554 -15.388 2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.283 -13.946 3.287 1.00 0.00 H new ATOM 0 HE ARG A 39 8.147 -16.337 4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.331 -14.006 3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.666 -14.360 4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.874 -16.836 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.404 -15.967 6.139 1.00 0.00 H new ATOM 614 N PRO A 40 8.263 -12.383 0.379 1.00 0.00 N ATOM 615 CA PRO A 40 9.505 -12.241 -0.350 1.00 0.00 C ATOM 616 C PRO A 40 10.594 -13.112 0.238 1.00 0.00 C ATOM 617 O PRO A 40 10.640 -13.339 1.459 1.00 0.00 O ATOM 618 CB PRO A 40 9.883 -10.763 -0.186 1.00 0.00 C ATOM 619 CG PRO A 40 8.653 -10.106 0.315 1.00 0.00 C ATOM 620 CD PRO A 40 7.900 -11.156 1.072 1.00 0.00 C ATOM 0 HA PRO A 40 9.393 -12.543 -1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.709 -10.642 0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.204 -10.330 -1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.897 -9.261 0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.056 -9.716 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.192 -11.184 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.825 -10.980 1.045 1.00 0.00 H new ATOM 628 N PHE A 41 11.436 -13.619 -0.600 1.00 0.00 N ATOM 629 CA PHE A 41 12.613 -14.276 -0.137 1.00 0.00 C ATOM 630 C PHE A 41 13.767 -13.665 -0.871 1.00 0.00 C ATOM 631 O PHE A 41 14.461 -12.789 -0.362 1.00 0.00 O ATOM 632 CB PHE A 41 12.563 -15.797 -0.365 1.00 0.00 C ATOM 633 CG PHE A 41 13.750 -16.520 0.218 1.00 0.00 C ATOM 634 CD1 PHE A 41 13.813 -16.753 1.574 1.00 0.00 C ATOM 635 CD2 PHE A 41 14.794 -16.956 -0.579 1.00 0.00 C ATOM 636 CE1 PHE A 41 14.889 -17.404 2.132 1.00 0.00 C ATOM 637 CE2 PHE A 41 15.880 -17.611 -0.027 1.00 0.00 C ATOM 638 CZ PHE A 41 15.925 -17.834 1.331 1.00 0.00 C ATOM 0 H PHE A 41 11.330 -13.591 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 41 12.711 -14.142 0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.649 -16.195 0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.513 -15.997 -1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.005 -16.420 2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 41 14.760 -16.783 -1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.922 -17.578 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 41 16.689 -17.946 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 41 16.770 -18.345 1.768 1.00 0.00 H new ATOM 648 N SER A 42 13.960 -14.127 -2.065 1.00 0.00 N ATOM 649 CA SER A 42 14.938 -13.571 -2.944 1.00 0.00 C ATOM 650 C SER A 42 14.419 -13.586 -4.390 1.00 0.00 C ATOM 651 O SER A 42 13.606 -14.439 -4.751 1.00 0.00 O ATOM 652 CB SER A 42 16.243 -14.336 -2.842 1.00 0.00 C ATOM 653 OG SER A 42 16.708 -14.367 -1.496 1.00 0.00 O ATOM 0 H SER A 42 13.438 -14.909 -2.461 1.00 0.00 H new ATOM 0 HA SER A 42 15.123 -12.538 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.102 -15.354 -3.206 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.994 -13.870 -3.480 1.00 0.00 H new ATOM 0 HG SER A 42 16.257 -15.089 -1.010 1.00 0.00 H new ATOM 659 N ILE A 43 14.867 -12.636 -5.187 1.00 0.00 N ATOM 660 CA ILE A 43 14.591 -12.627 -6.636 1.00 0.00 C ATOM 661 C ILE A 43 15.870 -12.934 -7.384 1.00 0.00 C ATOM 662 O ILE A 43 16.928 -12.461 -7.005 1.00 0.00 O ATOM 663 CB ILE A 43 13.982 -11.306 -7.175 1.00 0.00 C ATOM 664 CG1 ILE A 43 14.910 -10.123 -6.928 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.609 -11.057 -6.577 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.439 -8.853 -7.606 1.00 0.00 C ATOM 0 H ILE A 43 15.430 -11.848 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 43 13.831 -13.390 -6.803 1.00 0.00 H new ATOM 0 HB ILE A 43 13.866 -11.412 -8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.990 -9.948 -5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.909 -10.371 -7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.204 -10.125 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.944 -11.880 -6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.692 -10.987 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.140 -8.046 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.386 -9.014 -8.683 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.452 -8.584 -7.230 1.00 0.00 H new ATOM 678 N ILE A 44 15.773 -13.829 -8.351 1.00 0.00 N ATOM 679 CA ILE A 44 16.919 -14.298 -9.149 1.00 0.00 C ATOM 680 C ILE A 44 16.686 -14.031 -10.670 1.00 0.00 C ATOM 681 O ILE A 44 15.618 -14.286 -11.154 1.00 0.00 O ATOM 682 CB ILE A 44 17.166 -15.798 -8.927 1.00 0.00 C ATOM 683 CG1 ILE A 44 16.979 -16.136 -7.463 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.608 -16.111 -9.298 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.605 -16.691 -7.133 1.00 0.00 C ATOM 0 H ILE A 44 14.889 -14.263 -8.617 1.00 0.00 H new ATOM 0 HA ILE A 44 17.796 -13.741 -8.820 1.00 0.00 H new ATOM 0 HB ILE A 44 16.468 -16.374 -9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.735 -16.864 -7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 44 17.151 -15.239 -6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.800 -17.173 -9.146 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.778 -15.858 -10.344 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.280 -15.527 -8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.547 -16.909 -6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.843 -15.957 -7.395 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.437 -17.606 -7.700 1.00 0.00 H new ATOM 697 N CYS A 45 17.653 -13.425 -11.363 1.00 0.00 N ATOM 698 CA CYS A 45 17.568 -13.090 -12.853 1.00 0.00 C ATOM 699 C CYS A 45 17.188 -14.300 -13.805 1.00 0.00 C ATOM 700 O CYS A 45 17.547 -14.309 -14.980 1.00 0.00 O ATOM 701 CB CYS A 45 18.914 -12.498 -13.300 1.00 0.00 C ATOM 702 SG CYS A 45 19.597 -11.269 -12.140 1.00 0.00 S ATOM 0 H CYS A 45 18.534 -13.137 -10.938 1.00 0.00 H new ATOM 0 HA CYS A 45 16.746 -12.381 -12.952 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.634 -13.307 -13.423 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.789 -12.032 -14.277 1.00 0.00 H new ATOM 707 N LEU A 46 16.475 -15.266 -13.288 1.00 0.00 N ATOM 708 CA LEU A 46 16.108 -16.489 -14.014 1.00 0.00 C ATOM 709 C LEU A 46 15.204 -16.222 -15.209 1.00 0.00 C ATOM 710 O LEU A 46 15.374 -16.796 -16.281 1.00 0.00 O ATOM 711 CB LEU A 46 15.346 -17.434 -13.099 1.00 0.00 C ATOM 712 CG LEU A 46 15.989 -17.774 -11.776 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.089 -18.703 -10.988 1.00 0.00 C ATOM 714 CD2 LEU A 46 17.377 -18.357 -11.950 1.00 0.00 C ATOM 0 H LEU A 46 16.118 -15.240 -12.333 1.00 0.00 H new ATOM 0 HA LEU A 46 17.048 -16.919 -14.360 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.368 -16.996 -12.898 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.173 -18.364 -13.641 1.00 0.00 H new ATOM 0 HG LEU A 46 16.114 -16.849 -11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.560 -18.944 -10.035 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.131 -18.215 -10.807 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.927 -19.620 -11.555 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.801 -18.586 -10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.317 -19.270 -12.542 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.014 -17.635 -12.461 1.00 0.00 H new ATOM 726 N LYS A 47 14.246 -15.333 -15.023 1.00 0.00 N ATOM 727 CA LYS A 47 13.203 -15.162 -16.000 1.00 0.00 C ATOM 728 C LYS A 47 13.534 -14.029 -16.916 1.00 0.00 C ATOM 729 O LYS A 47 13.684 -12.888 -16.481 1.00 0.00 O ATOM 730 CB LYS A 47 11.926 -14.904 -15.260 1.00 0.00 C ATOM 731 CG LYS A 47 10.808 -14.782 -16.173 1.00 0.00 C ATOM 732 CD LYS A 47 10.817 -16.062 -16.935 1.00 0.00 C ATOM 733 CE LYS A 47 9.592 -16.347 -17.618 1.00 0.00 C ATOM 734 NZ LYS A 47 9.094 -15.253 -18.500 1.00 0.00 N ATOM 0 H LYS A 47 14.174 -14.725 -14.208 1.00 0.00 H new ATOM 0 HA LYS A 47 13.100 -16.055 -16.616 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.739 -15.716 -14.558 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.021 -13.991 -14.673 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.869 -14.644 -15.637 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.926 -13.924 -16.835 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.628 -16.033 -17.663 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.035 -16.879 -16.248 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.730 -17.245 -18.220 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.825 -16.574 -16.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.294 -15.600 -19.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.783 -14.451 -17.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.858 -14.944 -19.134 1.00 0.00 H new ATOM 748 N ASN A 48 13.666 -14.372 -18.195 1.00 0.00 N ATOM 749 CA ASN A 48 14.048 -13.430 -19.256 1.00 0.00 C ATOM 750 C ASN A 48 15.359 -12.766 -18.868 1.00 0.00 C ATOM 751 O ASN A 48 15.612 -11.619 -19.228 1.00 0.00 O ATOM 752 CB ASN A 48 12.948 -12.371 -19.428 1.00 0.00 C ATOM 753 CG ASN A 48 13.069 -11.540 -20.708 1.00 0.00 C ATOM 754 OD1 ASN A 48 13.484 -12.045 -21.758 1.00 0.00 O ATOM 755 ND2 ASN A 48 12.671 -10.271 -20.636 1.00 0.00 N ATOM 0 H ASN A 48 13.510 -15.322 -18.533 1.00 0.00 H new ATOM 0 HA ASN A 48 14.172 -13.959 -20.201 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.978 -12.867 -19.421 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.969 -11.700 -18.569 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.702 -9.679 -21.466 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.335 -9.891 -19.751 1.00 0.00 H new ATOM 762 N SER A 49 16.248 -13.543 -18.198 1.00 0.00 N ATOM 763 CA SER A 49 17.517 -13.021 -17.694 1.00 0.00 C ATOM 764 C SER A 49 17.310 -11.709 -16.913 1.00 0.00 C ATOM 765 O SER A 49 18.240 -10.917 -16.738 1.00 0.00 O ATOM 766 CB SER A 49 18.498 -12.838 -18.853 1.00 0.00 C ATOM 767 OG SER A 49 18.493 -13.986 -19.701 1.00 0.00 O ATOM 0 H SER A 49 16.097 -14.532 -18.001 1.00 0.00 H new ATOM 0 HA SER A 49 17.941 -13.742 -16.995 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.228 -11.953 -19.429 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.502 -12.671 -18.464 1.00 0.00 H new ATOM 0 HG SER A 49 19.125 -13.851 -20.438 1.00 0.00 H new ATOM 773 N VAL A 50 16.074 -11.499 -16.429 1.00 0.00 N ATOM 774 CA VAL A 50 15.750 -10.321 -15.675 1.00 0.00 C ATOM 775 C VAL A 50 15.644 -10.704 -14.220 1.00 0.00 C ATOM 776 O VAL A 50 16.617 -10.608 -13.516 1.00 0.00 O ATOM 777 CB VAL A 50 14.412 -9.648 -16.159 1.00 0.00 C ATOM 778 CG1 VAL A 50 14.063 -8.442 -15.301 1.00 0.00 C ATOM 779 CG2 VAL A 50 14.504 -9.226 -17.623 1.00 0.00 C ATOM 0 H VAL A 50 15.295 -12.144 -16.558 1.00 0.00 H new ATOM 0 HA VAL A 50 16.540 -9.585 -15.825 1.00 0.00 H new ATOM 0 HB VAL A 50 13.622 -10.393 -16.058 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.134 -7.998 -15.659 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.939 -8.756 -14.265 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.865 -7.706 -15.364 1.00 0.00 H new ATOM 0 HG21 VAL A 50 13.565 -8.764 -17.928 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.317 -8.510 -17.745 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.696 -10.102 -18.243 1.00 0.00 H new ATOM 789 N TRP A 51 14.449 -11.199 -13.792 1.00 0.00 N ATOM 790 CA TRP A 51 14.217 -11.672 -12.406 1.00 0.00 C ATOM 791 C TRP A 51 13.080 -12.699 -12.381 1.00 0.00 C ATOM 792 O TRP A 51 12.279 -12.740 -13.302 1.00 0.00 O ATOM 793 CB TRP A 51 13.987 -10.497 -11.430 1.00 0.00 C ATOM 794 CG TRP A 51 15.226 -9.631 -11.301 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.467 -8.463 -11.956 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.387 -9.868 -10.494 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.709 -7.982 -11.641 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.283 -8.807 -10.732 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.762 -10.856 -9.606 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.515 -8.714 -10.111 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.991 -10.756 -8.986 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.851 -9.690 -9.244 1.00 0.00 C ATOM 0 H TRP A 51 13.630 -11.279 -14.395 1.00 0.00 H new ATOM 0 HA TRP A 51 15.118 -12.174 -12.054 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.152 -9.890 -11.780 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.710 -10.885 -10.450 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.774 -7.982 -12.631 1.00 0.00 H new ATOM 0 HE1 TRP A 51 17.134 -7.139 -12.028 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.107 -11.690 -9.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.183 -7.890 -10.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.293 -11.521 -8.286 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.805 -9.645 -8.740 1.00 0.00 H new ATOM 813 N THR A 52 12.996 -13.487 -11.313 1.00 0.00 N ATOM 814 CA THR A 52 12.043 -14.612 -11.217 1.00 0.00 C ATOM 815 C THR A 52 10.601 -14.139 -11.203 1.00 0.00 C ATOM 816 O THR A 52 9.709 -14.808 -11.725 1.00 0.00 O ATOM 817 CB THR A 52 12.292 -15.385 -9.919 1.00 0.00 C ATOM 818 OG1 THR A 52 12.137 -14.512 -8.789 1.00 0.00 O ATOM 819 CG2 THR A 52 13.679 -15.870 -9.915 1.00 0.00 C ATOM 0 H THR A 52 13.581 -13.372 -10.486 1.00 0.00 H new ATOM 0 HA THR A 52 12.201 -15.241 -12.093 1.00 0.00 H new ATOM 0 HB THR A 52 11.582 -16.210 -9.858 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.296 -15.015 -7.963 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.869 -16.423 -8.995 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.838 -16.526 -10.771 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.361 -15.022 -9.976 1.00 0.00 H new ATOM 827 N GLY A 53 10.389 -13.000 -10.603 1.00 0.00 N ATOM 828 CA GLY A 53 9.058 -12.463 -10.494 1.00 0.00 C ATOM 829 C GLY A 53 8.904 -11.565 -9.296 1.00 0.00 C ATOM 830 O GLY A 53 8.214 -11.899 -8.356 1.00 0.00 O ATOM 0 H GLY A 53 11.119 -12.425 -10.182 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.818 -11.904 -11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.342 -13.282 -10.427 1.00 0.00 H new ATOM 834 N ALA A 54 9.558 -10.420 -9.347 1.00 0.00 N ATOM 835 CA ALA A 54 9.497 -9.417 -8.283 1.00 0.00 C ATOM 836 C ALA A 54 8.119 -8.756 -8.267 1.00 0.00 C ATOM 837 O ALA A 54 7.767 -8.025 -7.341 1.00 0.00 O ATOM 838 CB ALA A 54 10.586 -8.386 -8.491 1.00 0.00 C ATOM 0 H ALA A 54 10.153 -10.151 -10.131 1.00 0.00 H new ATOM 0 HA ALA A 54 9.656 -9.900 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.538 -7.641 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.560 -8.876 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.446 -7.898 -9.456 1.00 0.00 H new ATOM 844 N LYS A 55 7.373 -9.001 -9.327 1.00 0.00 N ATOM 845 CA LYS A 55 6.027 -8.494 -9.484 1.00 0.00 C ATOM 846 C LYS A 55 5.064 -9.114 -8.492 1.00 0.00 C ATOM 847 O LYS A 55 5.080 -10.328 -8.258 1.00 0.00 O ATOM 848 CB LYS A 55 5.477 -8.820 -10.845 1.00 0.00 C ATOM 849 CG LYS A 55 4.125 -8.185 -11.105 1.00 0.00 C ATOM 850 CD LYS A 55 3.624 -8.518 -12.487 1.00 0.00 C ATOM 851 CE LYS A 55 3.273 -9.998 -12.530 1.00 0.00 C ATOM 852 NZ LYS A 55 2.658 -10.409 -13.808 1.00 0.00 N ATOM 0 H LYS A 55 7.691 -9.566 -10.114 1.00 0.00 H new ATOM 0 HA LYS A 55 6.105 -7.418 -9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.182 -8.485 -11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.390 -9.902 -10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.408 -8.533 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.201 -7.103 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.749 -7.914 -12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.386 -8.288 -13.232 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.176 -10.585 -12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.588 -10.227 -11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.441 -11.426 -13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.780 -9.872 -13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.319 -10.219 -14.588 1.00 0.00 H new ATOM 866 N ASP A 56 4.251 -8.254 -7.914 1.00 0.00 N ATOM 867 CA ASP A 56 3.131 -8.623 -7.031 1.00 0.00 C ATOM 868 C ASP A 56 3.613 -9.450 -5.862 1.00 0.00 C ATOM 869 O ASP A 56 2.866 -10.253 -5.306 1.00 0.00 O ATOM 870 CB ASP A 56 2.073 -9.443 -7.833 1.00 0.00 C ATOM 871 CG ASP A 56 1.287 -8.614 -8.848 1.00 0.00 C ATOM 872 OD1 ASP A 56 1.326 -7.365 -8.762 1.00 0.00 O ATOM 873 OD2 ASP A 56 0.650 -9.219 -9.754 1.00 0.00 O ATOM 0 H ASP A 56 4.342 -7.246 -8.041 1.00 0.00 H new ATOM 0 HA ASP A 56 2.683 -7.705 -6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.577 -10.256 -8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.374 -9.900 -7.132 1.00 0.00 H new ATOM 878 N ARG A 57 4.854 -9.230 -5.465 1.00 0.00 N ATOM 879 CA ARG A 57 5.404 -9.960 -4.347 1.00 0.00 C ATOM 880 C ARG A 57 4.701 -9.602 -3.064 1.00 0.00 C ATOM 881 O ARG A 57 4.453 -10.451 -2.216 1.00 0.00 O ATOM 882 CB ARG A 57 6.896 -9.729 -4.170 1.00 0.00 C ATOM 883 CG ARG A 57 7.713 -10.250 -5.319 1.00 0.00 C ATOM 884 CD ARG A 57 7.514 -11.732 -5.514 1.00 0.00 C ATOM 885 NE ARG A 57 7.920 -12.556 -4.373 1.00 0.00 N ATOM 886 CZ ARG A 57 7.668 -13.874 -4.301 1.00 0.00 C ATOM 887 NH1 ARG A 57 7.053 -14.485 -5.323 1.00 0.00 N ATOM 888 NH2 ARG A 57 8.008 -14.576 -3.214 1.00 0.00 N ATOM 0 H ARG A 57 5.490 -8.559 -5.897 1.00 0.00 H new ATOM 0 HA ARG A 57 5.246 -11.014 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.081 -8.661 -4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.226 -10.211 -3.249 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.437 -9.722 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.768 -10.044 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.461 -11.920 -5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.076 -12.049 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 57 8.415 -12.110 -3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.780 -13.950 -6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.858 -15.485 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.464 -14.111 -2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.812 -15.576 -3.171 1.00 0.00 H new ATOM 902 N CYS A 58 4.399 -8.341 -2.936 1.00 0.00 N ATOM 903 CA CYS A 58 3.808 -7.821 -1.734 1.00 0.00 C ATOM 904 C CYS A 58 2.396 -7.443 -2.083 1.00 0.00 C ATOM 905 O CYS A 58 2.163 -6.893 -3.160 1.00 0.00 O ATOM 906 CB CYS A 58 4.564 -6.561 -1.326 1.00 0.00 C ATOM 907 SG CYS A 58 6.359 -6.789 -0.967 1.00 0.00 S ATOM 0 H CYS A 58 4.556 -7.643 -3.663 1.00 0.00 H new ATOM 0 HA CYS A 58 3.841 -8.547 -0.922 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.462 -5.824 -2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.085 -6.142 -0.441 1.00 0.00 H new ATOM 912 N ARG A 59 1.443 -7.708 -1.214 1.00 0.00 N ATOM 913 CA ARG A 59 0.077 -7.465 -1.602 1.00 0.00 C ATOM 914 C ARG A 59 -0.651 -6.645 -0.525 1.00 0.00 C ATOM 915 O ARG A 59 -0.408 -6.820 0.670 1.00 0.00 O ATOM 916 CB ARG A 59 -0.602 -8.816 -1.814 1.00 0.00 C ATOM 917 CG ARG A 59 0.085 -9.608 -2.909 1.00 0.00 C ATOM 918 CD ARG A 59 -0.504 -10.980 -3.116 1.00 0.00 C ATOM 919 NE ARG A 59 -1.878 -10.935 -3.666 1.00 0.00 N ATOM 920 CZ ARG A 59 -2.656 -12.016 -3.862 1.00 0.00 C ATOM 921 NH1 ARG A 59 -2.262 -13.215 -3.448 1.00 0.00 N ATOM 922 NH2 ARG A 59 -3.835 -11.894 -4.483 1.00 0.00 N ATOM 0 H ARG A 59 1.582 -8.076 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 59 0.044 -6.887 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.585 -9.385 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.649 -8.663 -2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.024 -9.050 -3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.143 -9.708 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.135 -11.547 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.515 -11.513 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.261 -10.023 -3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.363 -13.322 -2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.858 -14.029 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.147 -10.980 -4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.422 -12.715 -4.630 1.00 0.00 H new ATOM 936 N ARG A 60 -1.533 -5.771 -0.955 1.00 0.00 N ATOM 937 CA ARG A 60 -2.312 -4.932 -0.058 1.00 0.00 C ATOM 938 C ARG A 60 -3.772 -5.436 0.008 1.00 0.00 C ATOM 939 O ARG A 60 -4.339 -5.853 -1.002 1.00 0.00 O ATOM 940 CB ARG A 60 -2.285 -3.481 -0.546 1.00 0.00 C ATOM 941 CG ARG A 60 -2.968 -3.287 -1.889 1.00 0.00 C ATOM 942 CD ARG A 60 -2.976 -1.823 -2.327 1.00 0.00 C ATOM 943 NE ARG A 60 -1.637 -1.287 -2.579 1.00 0.00 N ATOM 944 CZ ARG A 60 -0.996 -1.358 -3.749 1.00 0.00 C ATOM 945 NH1 ARG A 60 -1.588 -1.902 -4.819 1.00 0.00 N ATOM 946 NH2 ARG A 60 0.227 -0.852 -3.858 1.00 0.00 N ATOM 0 H ARG A 60 -1.735 -5.618 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.875 -4.982 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.770 -2.846 0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.249 -3.149 -0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.459 -3.887 -2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.993 -3.652 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.575 -1.725 -3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.461 -1.223 -1.557 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.159 -0.826 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.538 -2.267 -4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.090 -1.951 -5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.671 -0.413 -3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.722 -0.903 -4.748 1.00 0.00 H new ATOM 960 N LYS A 61 -4.356 -5.415 1.207 1.00 0.00 N ATOM 961 CA LYS A 61 -5.711 -5.912 1.435 1.00 0.00 C ATOM 962 C LYS A 61 -6.780 -4.918 1.030 1.00 0.00 C ATOM 963 O LYS A 61 -6.593 -3.701 1.133 1.00 0.00 O ATOM 964 CB LYS A 61 -5.973 -6.314 2.874 1.00 0.00 C ATOM 965 CG LYS A 61 -7.356 -6.919 3.028 1.00 0.00 C ATOM 966 CD LYS A 61 -7.687 -7.389 4.424 1.00 0.00 C ATOM 967 CE LYS A 61 -9.085 -7.979 4.415 1.00 0.00 C ATOM 968 NZ LYS A 61 -9.506 -8.495 5.742 1.00 0.00 N ATOM 0 H LYS A 61 -3.902 -5.053 2.046 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.770 -6.796 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.220 -7.033 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.880 -5.442 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.097 -6.180 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.447 -7.763 2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.963 -8.134 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.631 -6.558 5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.792 -7.218 4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.127 -8.789 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.507 -8.776 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.924 -9.319 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.382 -7.752 6.459 1.00 0.00 H new ATOM 982 N SER A 62 -7.870 -5.445 0.522 1.00 0.00 N ATOM 983 CA SER A 62 -9.015 -4.657 0.200 1.00 0.00 C ATOM 984 C SER A 62 -9.594 -4.076 1.505 1.00 0.00 C ATOM 985 O SER A 62 -9.648 -4.760 2.526 1.00 0.00 O ATOM 986 CB SER A 62 -10.060 -5.552 -0.479 1.00 0.00 C ATOM 987 OG SER A 62 -11.242 -4.841 -0.825 1.00 0.00 O ATOM 0 H SER A 62 -7.978 -6.440 0.323 1.00 0.00 H new ATOM 0 HA SER A 62 -8.743 -3.845 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.628 -5.992 -1.378 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.317 -6.375 0.187 1.00 0.00 H new ATOM 0 HG SER A 62 -11.877 -5.451 -1.256 1.00 0.00 H new ATOM 993 N CYS A 63 -10.052 -2.854 1.439 1.00 0.00 N ATOM 994 CA CYS A 63 -10.576 -2.139 2.602 1.00 0.00 C ATOM 995 C CYS A 63 -12.067 -2.321 2.729 1.00 0.00 C ATOM 996 O CYS A 63 -12.711 -2.799 1.804 1.00 0.00 O ATOM 997 CB CYS A 63 -10.198 -0.657 2.535 1.00 0.00 C ATOM 998 SG CYS A 63 -8.426 -0.345 2.825 1.00 0.00 S ATOM 0 H CYS A 63 -10.078 -2.311 0.576 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.121 -2.564 3.497 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.473 -0.264 1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.781 -0.108 3.274 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.609 -2.020 3.904 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.036 -2.176 4.125 1.00 0.00 C ATOM 1005 C ARG A 64 -14.511 -1.022 4.972 1.00 0.00 C ATOM 1006 O ARG A 64 -13.736 -0.493 5.773 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.327 -3.515 4.844 1.00 0.00 C ATOM 1008 CG ARG A 64 -14.065 -3.542 6.360 1.00 0.00 C ATOM 1009 CD ARG A 64 -12.600 -3.437 6.732 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.438 -3.509 8.188 1.00 0.00 N ATOM 1011 CZ ARG A 64 -12.331 -2.438 8.991 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -12.335 -1.206 8.473 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -12.229 -2.599 10.302 1.00 0.00 N ATOM 0 H ARG A 64 -12.087 -1.671 4.707 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.560 -2.184 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.371 -3.777 4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.722 -4.293 4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.608 -2.721 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.469 -4.467 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.039 -4.241 6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.190 -2.498 6.360 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.404 -4.433 8.619 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.420 -1.077 7.465 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.254 -0.395 9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.232 -3.537 10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.148 -1.785 10.911 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.751 -0.611 4.814 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.243 0.492 5.586 1.00 0.00 C ATOM 1029 C ASN A 65 -17.692 0.286 6.079 1.00 0.00 C ATOM 1030 O ASN A 65 -18.610 0.956 5.619 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.146 1.755 4.757 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.522 2.985 5.521 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -16.320 3.075 6.733 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -17.085 3.929 4.818 1.00 0.00 N ATOM 0 H ASN A 65 -16.423 -1.022 4.166 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.624 0.572 6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.127 1.862 4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.795 1.662 3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.382 4.794 5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.228 3.802 3.816 1.00 0.00 H new ATOM 1041 N PRO A 66 -17.926 -0.691 6.984 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.232 -0.849 7.625 1.00 0.00 C ATOM 1043 C PRO A 66 -19.517 0.113 8.848 1.00 0.00 C ATOM 1044 O PRO A 66 -20.666 0.204 9.259 1.00 0.00 O ATOM 1045 CB PRO A 66 -19.241 -2.302 8.087 1.00 0.00 C ATOM 1046 CG PRO A 66 -17.801 -2.655 8.300 1.00 0.00 C ATOM 1047 CD PRO A 66 -16.985 -1.765 7.379 1.00 0.00 C ATOM 0 HA PRO A 66 -20.017 -0.586 6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.815 -2.420 9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.699 -2.950 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.515 -2.499 9.340 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.625 -3.707 8.076 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.110 -1.361 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.622 -2.316 6.511 1.00 0.00 H new ATOM 1055 N PRO A 67 -18.486 0.832 9.473 1.00 0.00 N ATOM 1056 CA PRO A 67 -18.774 1.721 10.616 1.00 0.00 C ATOM 1057 C PRO A 67 -19.723 2.858 10.248 1.00 0.00 C ATOM 1058 O PRO A 67 -20.484 3.320 11.097 1.00 0.00 O ATOM 1059 CB PRO A 67 -17.401 2.358 10.947 1.00 0.00 C ATOM 1060 CG PRO A 67 -16.433 1.872 9.918 1.00 0.00 C ATOM 1061 CD PRO A 67 -17.048 0.708 9.234 1.00 0.00 C ATOM 0 HA PRO A 67 -19.239 1.160 11.427 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -17.467 3.446 10.931 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -17.075 2.073 11.947 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.208 2.662 9.201 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.490 1.587 10.384 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.825 0.716 8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.663 -0.231 9.633 1.00 0.00 H new ATOM 1069 N ASP A 68 -19.702 3.232 8.950 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.495 4.339 8.365 1.00 0.00 C ATOM 1071 C ASP A 68 -20.432 5.678 9.151 1.00 0.00 C ATOM 1072 O ASP A 68 -20.192 5.724 10.355 1.00 0.00 O ATOM 1073 CB ASP A 68 -21.963 3.929 8.044 1.00 0.00 C ATOM 1074 CG ASP A 68 -22.850 3.644 9.264 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -23.226 4.594 9.977 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.200 2.454 9.488 1.00 0.00 O ATOM 0 H ASP A 68 -19.117 2.760 8.260 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.995 4.541 7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.424 4.724 7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.944 3.040 7.414 1.00 0.00 H new ATOM 1081 N PRO A 69 -20.597 6.802 8.431 1.00 0.00 N ATOM 1082 CA PRO A 69 -20.665 8.127 9.022 1.00 0.00 C ATOM 1083 C PRO A 69 -21.903 8.293 9.878 1.00 0.00 C ATOM 1084 O PRO A 69 -22.923 7.657 9.635 1.00 0.00 O ATOM 1085 CB PRO A 69 -20.700 9.092 7.842 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.326 8.279 6.663 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.713 6.867 6.968 1.00 0.00 C ATOM 0 HA PRO A 69 -19.816 8.309 9.681 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.691 9.529 7.720 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.003 9.917 7.988 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.839 8.636 5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.256 8.352 6.467 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.726 6.645 6.633 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.051 6.152 6.478 1.00 0.00 H new ATOM 1095 N VAL A 70 -21.816 9.177 10.854 1.00 0.00 N ATOM 1096 CA VAL A 70 -22.890 9.382 11.818 1.00 0.00 C ATOM 1097 C VAL A 70 -24.150 9.834 11.073 1.00 0.00 C ATOM 1098 O VAL A 70 -25.252 9.348 11.342 1.00 0.00 O ATOM 1099 CB VAL A 70 -22.485 10.448 12.873 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -23.637 10.770 13.813 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -21.256 9.997 13.653 1.00 0.00 C ATOM 0 H VAL A 70 -21.003 9.774 11.004 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.085 8.445 12.340 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.234 11.364 12.338 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -23.317 11.519 14.537 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.478 11.157 13.238 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -23.942 9.865 14.338 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -20.990 10.759 14.386 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.474 9.060 14.166 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -20.423 9.849 12.966 1.00 0.00 H new ATOM 1111 N ASN A 71 -23.991 10.757 10.149 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.123 11.203 9.348 1.00 0.00 C ATOM 1113 C ASN A 71 -25.231 10.388 8.051 1.00 0.00 C ATOM 1114 O ASN A 71 -26.080 10.663 7.216 1.00 0.00 O ATOM 1115 CB ASN A 71 -24.992 12.692 9.014 1.00 0.00 C ATOM 1116 CG ASN A 71 -25.191 13.593 10.216 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -25.800 13.202 11.214 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -24.668 14.797 10.134 1.00 0.00 N ATOM 0 H ASN A 71 -23.104 11.211 9.931 1.00 0.00 H new ATOM 0 HA ASN A 71 -26.029 11.048 9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -24.006 12.877 8.589 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -25.723 12.952 8.248 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -24.759 15.447 10.915 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -24.172 15.081 9.289 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.375 9.362 7.911 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.446 8.468 6.748 1.00 0.00 C ATOM 1127 C GLY A 72 -23.880 9.111 5.510 1.00 0.00 C ATOM 1128 O GLY A 72 -24.195 8.724 4.395 1.00 0.00 O ATOM 0 H GLY A 72 -23.638 9.135 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.899 7.550 6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.484 8.187 6.569 1.00 0.00 H new ATOM 1132 N MET A 73 -23.047 10.080 5.723 1.00 0.00 N ATOM 1133 CA MET A 73 -22.559 10.932 4.669 1.00 0.00 C ATOM 1134 C MET A 73 -21.107 10.552 4.310 1.00 0.00 C ATOM 1135 O MET A 73 -20.170 11.035 4.938 1.00 0.00 O ATOM 1136 CB MET A 73 -22.576 12.331 5.259 1.00 0.00 C ATOM 1137 CG MET A 73 -23.971 12.808 5.654 1.00 0.00 C ATOM 1138 SD MET A 73 -25.149 12.912 4.305 1.00 0.00 S ATOM 1139 CE MET A 73 -24.507 14.335 3.464 1.00 0.00 C ATOM 0 H MET A 73 -22.677 10.310 6.645 1.00 0.00 H new ATOM 0 HA MET A 73 -23.161 10.847 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 73 -21.930 12.354 6.137 1.00 0.00 H new ATOM 0 HB3 MET A 73 -22.154 13.028 4.534 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.368 12.132 6.412 1.00 0.00 H new ATOM 0 HG3 MET A 73 -23.885 13.791 6.117 1.00 0.00 H new ATOM 0 HE1 MET A 73 -25.295 15.080 3.357 1.00 0.00 H new ATOM 0 HE2 MET A 73 -23.684 14.757 4.040 1.00 0.00 H new ATOM 0 HE3 MET A 73 -24.147 14.043 2.477 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.931 9.630 3.346 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.581 9.208 2.917 1.00 0.00 C ATOM 1151 C VAL A 74 -19.466 9.105 1.374 1.00 0.00 C ATOM 1152 O VAL A 74 -20.398 8.672 0.699 1.00 0.00 O ATOM 1153 CB VAL A 74 -19.176 7.840 3.560 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -20.242 6.820 3.351 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -17.828 7.337 3.052 1.00 0.00 C ATOM 0 H VAL A 74 -21.695 9.167 2.853 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.896 9.981 3.264 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.066 8.010 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -19.938 5.878 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -21.169 7.163 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -20.400 6.672 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.592 6.385 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.874 7.201 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.054 8.065 3.293 1.00 0.00 H new ATOM 1165 N HIS A 75 -18.334 9.549 0.833 1.00 0.00 N ATOM 1166 CA HIS A 75 -18.030 9.399 -0.609 1.00 0.00 C ATOM 1167 C HIS A 75 -16.807 8.508 -0.762 1.00 0.00 C ATOM 1168 O HIS A 75 -15.937 8.559 0.074 1.00 0.00 O ATOM 1169 CB HIS A 75 -17.721 10.747 -1.267 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.869 11.708 -1.336 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -18.721 13.005 -1.768 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -20.174 11.562 -1.029 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -19.881 13.619 -1.732 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -20.786 12.766 -1.287 1.00 0.00 N ATOM 0 H HIS A 75 -17.602 10.019 1.365 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.905 8.967 -1.094 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.906 11.220 -0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -17.362 10.564 -2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -20.649 10.668 -0.652 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.064 14.645 -2.017 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -21.777 12.968 -1.156 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.732 7.699 -1.810 1.00 0.00 N ATOM 1183 CA VAL A 76 -15.543 6.838 -1.986 1.00 0.00 C ATOM 1184 C VAL A 76 -14.738 7.211 -3.267 1.00 0.00 C ATOM 1185 O VAL A 76 -15.171 6.949 -4.389 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.970 5.343 -2.044 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -17.146 5.134 -3.007 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -14.807 4.476 -2.454 1.00 0.00 C ATOM 0 H VAL A 76 -17.445 7.612 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.891 6.999 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.294 5.054 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.419 4.079 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.999 5.725 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.856 5.450 -4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.125 3.434 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.455 4.781 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.999 4.585 -1.730 1.00 0.00 H new ATOM 1198 N ILE A 77 -13.575 7.859 -3.070 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.706 8.305 -4.191 1.00 0.00 C ATOM 1200 C ILE A 77 -12.089 7.146 -5.059 1.00 0.00 C ATOM 1201 O ILE A 77 -12.092 7.186 -6.287 1.00 0.00 O ATOM 1202 CB ILE A 77 -11.530 9.124 -3.641 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.996 10.443 -3.039 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -10.515 9.394 -4.746 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.900 11.142 -2.276 1.00 0.00 C ATOM 0 H ILE A 77 -13.209 8.089 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.366 8.884 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.063 8.538 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.356 11.096 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.839 10.258 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.685 9.976 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.140 8.447 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.993 9.952 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.281 12.077 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -10.558 10.502 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.067 11.353 -2.947 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.573 6.122 -4.365 1.00 0.00 N ATOM 1218 CA LYS A 78 -10.765 5.033 -5.001 1.00 0.00 C ATOM 1219 C LYS A 78 -11.386 3.625 -5.021 1.00 0.00 C ATOM 1220 O LYS A 78 -10.706 2.671 -5.384 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.356 4.978 -4.406 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.507 6.213 -4.640 1.00 0.00 C ATOM 1223 CD LYS A 78 -8.198 6.395 -6.136 1.00 0.00 C ATOM 1224 CE LYS A 78 -7.350 7.625 -6.389 1.00 0.00 C ATOM 1225 NZ LYS A 78 -7.018 7.792 -7.829 1.00 0.00 N ATOM 0 H LYS A 78 -11.693 6.011 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.736 5.326 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.439 4.812 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.836 4.115 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.028 7.093 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.575 6.130 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.679 5.512 -6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.131 6.476 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.881 8.509 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.428 7.554 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.437 8.646 -7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.489 6.961 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.896 7.886 -8.379 1.00 0.00 H new ATOM 1239 N GLY A 79 -12.633 3.479 -4.635 1.00 0.00 N ATOM 1240 CA GLY A 79 -13.251 2.153 -4.697 1.00 0.00 C ATOM 1241 C GLY A 79 -12.966 1.257 -3.483 1.00 0.00 C ATOM 1242 O GLY A 79 -13.104 0.037 -3.570 1.00 0.00 O ATOM 0 H GLY A 79 -13.231 4.227 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.330 2.274 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.902 1.646 -5.596 1.00 0.00 H new ATOM 1246 N ILE A 80 -12.550 1.866 -2.369 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.347 1.152 -1.088 1.00 0.00 C ATOM 1248 C ILE A 80 -11.204 0.079 -1.188 1.00 0.00 C ATOM 1249 O ILE A 80 -11.449 -1.117 -1.351 1.00 0.00 O ATOM 1250 CB ILE A 80 -13.675 0.459 -0.627 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -14.839 1.459 -0.562 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.503 -0.183 0.730 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.631 2.602 0.406 1.00 0.00 C ATOM 0 H ILE A 80 -12.343 2.864 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.049 1.898 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.908 -0.307 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.005 1.869 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.746 0.923 -0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.438 -0.658 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.714 -0.934 0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.233 0.579 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.501 3.258 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.497 2.206 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.745 3.167 0.117 1.00 0.00 H new ATOM 1265 N GLN A 81 -9.972 0.557 -1.121 1.00 0.00 N ATOM 1266 CA GLN A 81 -8.760 -0.291 -1.190 1.00 0.00 C ATOM 1267 C GLN A 81 -7.662 0.327 -0.319 1.00 0.00 C ATOM 1268 O GLN A 81 -7.798 1.457 0.114 1.00 0.00 O ATOM 1269 CB GLN A 81 -8.273 -0.406 -2.642 1.00 0.00 C ATOM 1270 CG GLN A 81 -7.080 -1.312 -2.859 1.00 0.00 C ATOM 1271 CD GLN A 81 -7.380 -2.774 -2.562 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -6.407 -3.461 -2.027 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -8.472 -3.271 -2.812 1.00 0.00 N flip ATOM 0 H GLN A 81 -9.767 1.551 -1.016 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.999 -1.290 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.098 -0.767 -3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.020 0.591 -3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.743 -1.219 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.258 -0.980 -2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.208 -2.702 -3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.645 -4.254 -2.602 1.00 0.00 H new ATOM 1282 N PHE A 82 -6.599 -0.408 -0.029 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.486 0.187 0.720 1.00 0.00 C ATOM 1284 C PHE A 82 -4.878 1.331 -0.074 1.00 0.00 C ATOM 1285 O PHE A 82 -4.534 1.182 -1.248 1.00 0.00 O ATOM 1286 CB PHE A 82 -4.418 -0.878 0.994 1.00 0.00 C ATOM 1287 CG PHE A 82 -3.137 -0.333 1.611 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -3.087 0.124 2.926 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.972 -0.285 0.851 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.896 0.618 3.460 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.793 0.203 1.380 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.753 0.655 2.683 1.00 0.00 C ATOM 0 H PHE A 82 -6.477 -1.387 -0.288 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.862 0.572 1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.836 -1.633 1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.172 -1.379 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.977 0.096 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.990 -0.635 -0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.867 0.971 4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.099 0.231 0.772 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.169 1.037 3.095 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.734 2.466 0.601 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.252 3.679 -0.027 1.00 0.00 C ATOM 1304 C GLY A 83 -5.394 4.535 -0.534 1.00 0.00 C ATOM 1305 O GLY A 83 -5.187 5.637 -1.023 1.00 0.00 O ATOM 0 H GLY A 83 -4.948 2.566 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.659 4.249 0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.592 3.423 -0.856 1.00 0.00 H new ATOM 1309 N SER A 84 -6.600 3.995 -0.434 1.00 0.00 N ATOM 1310 CA SER A 84 -7.826 4.699 -0.815 1.00 0.00 C ATOM 1311 C SER A 84 -8.200 5.738 0.218 1.00 0.00 C ATOM 1312 O SER A 84 -7.843 5.615 1.398 1.00 0.00 O ATOM 1313 CB SER A 84 -8.993 3.739 -1.002 1.00 0.00 C ATOM 1314 OG SER A 84 -8.884 3.017 -2.220 1.00 0.00 O ATOM 0 H SER A 84 -6.761 3.050 -0.085 1.00 0.00 H new ATOM 0 HA SER A 84 -7.621 5.191 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.028 3.041 -0.166 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.929 4.297 -0.991 1.00 0.00 H new ATOM 0 HG SER A 84 -9.780 2.799 -2.552 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.882 6.773 -0.227 1.00 0.00 N ATOM 1321 CA GLN A 85 -9.364 7.799 0.649 1.00 0.00 C ATOM 1322 C GLN A 85 -10.880 8.022 0.397 1.00 0.00 C ATOM 1323 O GLN A 85 -11.316 8.045 -0.756 1.00 0.00 O ATOM 1324 CB GLN A 85 -8.546 9.056 0.403 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.897 10.237 1.287 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.923 11.381 1.098 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.816 11.189 0.621 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -8.313 12.561 1.503 1.00 0.00 N ATOM 0 H GLN A 85 -9.114 6.919 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.250 7.514 1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.492 8.818 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.669 9.353 -0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.907 10.576 1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.895 9.925 2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.246 12.682 1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.684 13.360 1.426 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.680 8.143 1.473 1.00 0.00 N ATOM 1338 CA ILE A 86 -13.144 8.352 1.328 1.00 0.00 C ATOM 1339 C ILE A 86 -13.571 9.565 2.125 1.00 0.00 C ATOM 1340 O ILE A 86 -12.849 9.999 3.001 1.00 0.00 O ATOM 1341 CB ILE A 86 -14.025 7.119 1.746 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -14.211 7.012 3.273 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.440 5.839 1.191 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.022 6.521 4.021 1.00 0.00 C ATOM 0 H ILE A 86 -11.351 8.102 2.438 1.00 0.00 H new ATOM 0 HA ILE A 86 -13.315 8.500 0.262 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.015 7.276 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -14.484 7.994 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -15.049 6.345 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.062 4.995 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.405 5.897 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.431 5.702 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.253 6.481 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.757 5.524 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.184 7.198 3.857 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.735 10.116 1.822 1.00 0.00 N ATOM 1357 CA LYS A 87 -15.161 11.361 2.439 1.00 0.00 C ATOM 1358 C LYS A 87 -16.231 11.198 3.454 1.00 0.00 C ATOM 1359 O LYS A 87 -17.014 10.282 3.407 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.612 12.357 1.448 1.00 0.00 C ATOM 1361 CG LYS A 87 -14.576 12.762 0.470 1.00 0.00 C ATOM 1362 CD LYS A 87 -13.388 13.431 1.082 1.00 0.00 C ATOM 1363 CE LYS A 87 -12.402 13.812 -0.016 1.00 0.00 C ATOM 1364 NZ LYS A 87 -11.196 14.524 0.499 1.00 0.00 N ATOM 0 H LYS A 87 -15.399 9.723 1.155 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.263 11.718 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.466 11.951 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.962 13.244 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.242 11.880 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.024 13.437 -0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.700 14.320 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.911 12.764 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.087 12.911 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.907 14.446 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.762 15.073 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.474 15.166 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.510 13.830 0.858 1.00 0.00 H new ATOM 1378 N TYR A 88 -16.228 12.109 4.363 1.00 0.00 N ATOM 1379 CA TYR A 88 -17.170 12.180 5.458 1.00 0.00 C ATOM 1380 C TYR A 88 -17.962 13.488 5.463 1.00 0.00 C ATOM 1381 O TYR A 88 -18.253 14.028 6.518 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.439 11.955 6.781 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.113 10.507 7.029 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -17.126 9.564 7.059 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.812 10.072 7.223 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.858 8.232 7.282 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.538 8.734 7.451 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.567 7.824 7.480 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.301 6.496 7.722 1.00 0.00 O ATOM 0 H TYR A 88 -15.544 12.865 4.377 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.906 11.387 5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.517 12.536 6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.055 12.329 7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -18.147 9.880 6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.002 10.785 7.196 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.663 7.512 7.301 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.520 8.407 7.605 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.336 6.372 7.840 1.00 0.00 H new ATOM 1399 N SER A 89 -18.351 13.964 4.287 1.00 0.00 N ATOM 1400 CA SER A 89 -19.040 15.252 4.188 1.00 0.00 C ATOM 1401 C SER A 89 -20.466 15.164 4.748 1.00 0.00 C ATOM 1402 O SER A 89 -21.371 14.657 4.105 1.00 0.00 O ATOM 1403 CB SER A 89 -19.040 15.719 2.733 1.00 0.00 C ATOM 1404 OG SER A 89 -17.738 15.584 2.181 1.00 0.00 O ATOM 0 H SER A 89 -18.205 13.488 3.397 1.00 0.00 H new ATOM 0 HA SER A 89 -18.507 15.986 4.792 1.00 0.00 H new ATOM 0 HB2 SER A 89 -19.753 15.132 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.363 16.759 2.676 1.00 0.00 H new ATOM 0 HG SER A 89 -17.746 15.883 1.248 1.00 0.00 H new ATOM 1410 N CYS A 90 -20.645 15.725 5.950 1.00 0.00 N ATOM 1411 CA CYS A 90 -21.909 15.598 6.728 1.00 0.00 C ATOM 1412 C CYS A 90 -23.085 16.363 6.114 1.00 0.00 C ATOM 1413 O CYS A 90 -24.231 15.904 6.149 1.00 0.00 O ATOM 1414 CB CYS A 90 -21.681 16.294 8.070 1.00 0.00 C ATOM 1415 SG CYS A 90 -20.227 15.812 9.001 1.00 0.00 S ATOM 0 H CYS A 90 -19.929 16.279 6.419 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.144 14.535 6.774 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -21.627 17.368 7.890 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -22.557 16.119 8.695 1.00 0.00 H new ATOM 1420 N THR A 91 -22.802 17.538 5.606 1.00 0.00 N ATOM 1421 CA THR A 91 -23.856 18.467 5.204 1.00 0.00 C ATOM 1422 C THR A 91 -23.410 19.391 4.041 1.00 0.00 C ATOM 1423 O THR A 91 -22.222 19.520 3.780 1.00 0.00 O ATOM 1424 CB THR A 91 -24.224 19.283 6.459 1.00 0.00 C ATOM 1425 OG1 THR A 91 -24.721 18.396 7.481 1.00 0.00 O ATOM 1426 CG2 THR A 91 -25.236 20.366 6.194 1.00 0.00 C ATOM 0 H THR A 91 -21.854 17.883 5.457 1.00 0.00 H new ATOM 0 HA THR A 91 -24.718 17.919 4.824 1.00 0.00 H new ATOM 0 HB THR A 91 -23.312 19.781 6.788 1.00 0.00 H new ATOM 0 HG1 THR A 91 -24.953 18.915 8.279 1.00 0.00 H new ATOM 0 HG21 THR A 91 -25.448 20.900 7.120 1.00 0.00 H new ATOM 0 HG22 THR A 91 -24.838 21.063 5.456 1.00 0.00 H new ATOM 0 HG23 THR A 91 -26.155 19.920 5.813 1.00 0.00 H new ATOM 1434 N LYS A 92 -24.363 19.983 3.321 1.00 0.00 N ATOM 1435 CA LYS A 92 -24.048 20.992 2.336 1.00 0.00 C ATOM 1436 C LYS A 92 -23.414 22.254 2.933 1.00 0.00 C ATOM 1437 O LYS A 92 -22.397 22.750 2.433 1.00 0.00 O ATOM 1438 CB LYS A 92 -25.296 21.348 1.572 1.00 0.00 C ATOM 1439 CG LYS A 92 -25.064 22.392 0.535 1.00 0.00 C ATOM 1440 CD LYS A 92 -24.106 21.889 -0.481 1.00 0.00 C ATOM 1441 CE LYS A 92 -24.068 22.768 -1.682 1.00 0.00 C ATOM 1442 NZ LYS A 92 -23.470 24.100 -1.407 1.00 0.00 N ATOM 0 H LYS A 92 -25.357 19.774 3.409 1.00 0.00 H new ATOM 0 HA LYS A 92 -23.299 20.565 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -25.692 20.451 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -26.055 21.699 2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -26.007 22.659 0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -24.674 23.298 0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -23.110 21.827 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -24.387 20.879 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -23.497 22.275 -2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -25.082 22.902 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -23.470 24.667 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -24.028 24.587 -0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -22.493 23.979 -1.073 1.00 0.00 H new ATOM 1456 N GLY A 93 -24.001 22.751 4.002 1.00 0.00 N ATOM 1457 CA GLY A 93 -23.481 23.949 4.638 1.00 0.00 C ATOM 1458 C GLY A 93 -23.030 23.701 6.051 1.00 0.00 C ATOM 1459 O GLY A 93 -23.738 24.019 7.001 1.00 0.00 O ATOM 0 H GLY A 93 -24.828 22.352 4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -22.644 24.332 4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -24.251 24.721 4.636 1.00 0.00 H new ATOM 1463 N TYR A 94 -21.872 23.118 6.188 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.313 22.804 7.485 1.00 0.00 C ATOM 1465 C TYR A 94 -19.801 22.774 7.310 1.00 0.00 C ATOM 1466 O TYR A 94 -19.315 22.806 6.182 1.00 0.00 O ATOM 1467 CB TYR A 94 -21.775 21.435 7.972 1.00 0.00 C ATOM 1468 CG TYR A 94 -20.919 20.305 7.484 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.782 20.006 6.143 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.163 19.599 8.395 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.923 19.006 5.724 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.303 18.618 7.999 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.185 18.320 6.663 1.00 0.00 C ATOM 1474 OH TYR A 94 -18.327 17.340 6.266 1.00 0.00 O ATOM 0 H TYR A 94 -21.282 22.843 5.403 1.00 0.00 H new ATOM 0 HA TYR A 94 -21.634 23.545 8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -21.783 21.430 9.062 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -22.802 21.270 7.645 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -21.353 20.560 5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -20.254 19.828 9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.832 18.766 4.675 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -18.719 18.079 8.730 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.566 17.742 5.797 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.066 22.721 8.377 1.00 0.00 N ATOM 1485 CA ARG A 95 -17.637 22.558 8.262 1.00 0.00 C ATOM 1486 C ARG A 95 -17.291 21.326 9.058 1.00 0.00 C ATOM 1487 O ARG A 95 -17.916 21.055 10.077 1.00 0.00 O ATOM 1488 CB ARG A 95 -16.816 23.778 8.818 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.519 24.658 9.865 1.00 0.00 C ATOM 1490 CD ARG A 95 -18.619 25.514 9.255 1.00 0.00 C ATOM 1491 NE ARG A 95 -19.274 26.361 10.247 1.00 0.00 N ATOM 1492 CZ ARG A 95 -20.562 26.685 10.227 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -21.339 26.286 9.222 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -21.076 27.424 11.211 1.00 0.00 N ATOM 0 H ARG A 95 -19.420 22.787 9.331 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.375 22.480 7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -15.894 23.397 9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -16.532 24.410 7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.944 24.024 10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -16.784 25.303 10.346 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -18.196 26.139 8.469 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -19.361 24.868 8.785 1.00 0.00 H new ATOM 0 HE ARG A 95 -18.703 26.729 11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -20.946 25.729 8.463 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -22.328 26.537 9.211 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -20.480 27.739 11.977 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -22.065 27.674 11.198 1.00 0.00 H new ATOM 1508 N LEU A 96 -16.361 20.540 8.589 1.00 0.00 N ATOM 1509 CA LEU A 96 -15.993 19.385 9.342 1.00 0.00 C ATOM 1510 C LEU A 96 -14.630 19.641 9.940 1.00 0.00 C ATOM 1511 O LEU A 96 -13.636 19.840 9.245 1.00 0.00 O ATOM 1512 CB LEU A 96 -15.980 18.159 8.440 1.00 0.00 C ATOM 1513 CG LEU A 96 -15.880 16.825 9.157 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -16.460 15.724 8.324 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -14.466 16.510 9.556 1.00 0.00 C ATOM 0 H LEU A 96 -15.859 20.676 7.712 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.712 19.194 10.139 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.889 18.162 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.141 18.245 7.750 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.466 16.904 10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.376 14.779 8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.510 15.935 8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.917 15.656 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.438 15.547 10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.838 16.468 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.095 17.286 10.225 1.00 0.00 H new ATOM 1527 N ILE A 97 -14.631 19.653 11.236 1.00 0.00 N ATOM 1528 CA ILE A 97 -13.480 20.010 12.038 1.00 0.00 C ATOM 1529 C ILE A 97 -12.279 19.041 11.959 1.00 0.00 C ATOM 1530 O ILE A 97 -11.133 19.482 11.807 1.00 0.00 O ATOM 1531 CB ILE A 97 -13.947 20.223 13.470 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -15.060 21.278 13.409 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -12.792 20.698 14.331 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -15.835 21.467 14.660 1.00 0.00 C ATOM 0 H ILE A 97 -15.451 19.409 11.791 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.073 20.929 11.617 1.00 0.00 H new ATOM 0 HB ILE A 97 -14.316 19.298 13.914 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -14.615 22.233 13.131 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -15.752 21.004 12.612 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -13.138 20.847 15.354 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -11.999 19.950 14.321 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.408 21.639 13.937 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -16.594 22.234 14.506 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -16.318 20.529 14.934 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -15.164 21.777 15.461 1.00 0.00 H new ATOM 1546 N GLY A 98 -12.548 17.735 12.040 1.00 0.00 N ATOM 1547 CA GLY A 98 -11.470 16.753 11.987 1.00 0.00 C ATOM 1548 C GLY A 98 -11.245 16.229 10.598 1.00 0.00 C ATOM 1549 O GLY A 98 -11.083 17.007 9.659 1.00 0.00 O ATOM 0 H GLY A 98 -13.484 17.342 12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.550 17.207 12.355 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.705 15.923 12.653 1.00 0.00 H new ATOM 1553 N SER A 99 -11.243 14.919 10.430 1.00 0.00 N ATOM 1554 CA SER A 99 -11.038 14.395 9.109 1.00 0.00 C ATOM 1555 C SER A 99 -12.388 14.322 8.356 1.00 0.00 C ATOM 1556 O SER A 99 -13.337 13.668 8.786 1.00 0.00 O ATOM 1557 CB SER A 99 -10.399 12.998 9.219 1.00 0.00 C ATOM 1558 OG SER A 99 -9.007 13.076 9.508 1.00 0.00 O ATOM 0 H SER A 99 -11.376 14.227 11.167 1.00 0.00 H new ATOM 0 HA SER A 99 -10.371 15.050 8.548 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.902 12.429 10.001 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.547 12.456 8.285 1.00 0.00 H new ATOM 0 HG SER A 99 -8.635 12.172 9.572 1.00 0.00 H new ATOM 1564 N SER A 100 -12.435 15.027 7.227 1.00 0.00 N ATOM 1565 CA SER A 100 -13.576 15.064 6.320 1.00 0.00 C ATOM 1566 C SER A 100 -13.412 13.992 5.298 1.00 0.00 C ATOM 1567 O SER A 100 -14.228 13.827 4.394 1.00 0.00 O ATOM 1568 CB SER A 100 -13.716 16.445 5.661 1.00 0.00 C ATOM 1569 OG SER A 100 -12.597 16.743 4.838 1.00 0.00 O ATOM 0 H SER A 100 -11.656 15.605 6.911 1.00 0.00 H new ATOM 0 HA SER A 100 -14.492 14.888 6.883 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.627 16.474 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.816 17.209 6.432 1.00 0.00 H new ATOM 0 HG SER A 100 -12.716 17.627 4.431 1.00 0.00 H new ATOM 1575 N SER A 101 -12.304 13.305 5.423 1.00 0.00 N ATOM 1576 CA SER A 101 -11.940 12.241 4.564 1.00 0.00 C ATOM 1577 C SER A 101 -11.047 11.290 5.378 1.00 0.00 C ATOM 1578 O SER A 101 -10.486 11.707 6.393 1.00 0.00 O ATOM 1579 CB SER A 101 -11.175 12.817 3.370 1.00 0.00 C ATOM 1580 OG SER A 101 -10.098 13.624 3.778 1.00 0.00 O ATOM 0 H SER A 101 -11.618 13.489 6.155 1.00 0.00 H new ATOM 0 HA SER A 101 -12.810 11.703 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.803 12.002 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.855 13.404 2.752 1.00 0.00 H new ATOM 0 HG SER A 101 -9.835 14.215 3.042 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.912 10.055 4.944 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.133 9.059 5.673 1.00 0.00 C ATOM 1588 C ALA A 102 -9.247 8.280 4.727 1.00 0.00 C ATOM 1589 O ALA A 102 -9.608 8.067 3.571 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.048 8.113 6.422 1.00 0.00 C ATOM 0 H ALA A 102 -11.333 9.708 4.082 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.503 9.581 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.450 7.377 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.653 8.677 7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.701 7.602 5.715 1.00 0.00 H new ATOM 1596 N THR A 103 -8.115 7.832 5.221 1.00 0.00 N ATOM 1597 CA THR A 103 -7.143 7.155 4.407 1.00 0.00 C ATOM 1598 C THR A 103 -6.929 5.745 4.967 1.00 0.00 C ATOM 1599 O THR A 103 -6.733 5.573 6.169 1.00 0.00 O ATOM 1600 CB THR A 103 -5.801 7.906 4.446 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.018 9.273 4.072 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.850 7.309 3.428 1.00 0.00 C ATOM 0 H THR A 103 -7.846 7.929 6.200 1.00 0.00 H new ATOM 0 HA THR A 103 -7.504 7.113 3.379 1.00 0.00 H new ATOM 0 HB THR A 103 -5.385 7.831 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.167 9.758 4.096 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.901 7.844 3.459 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.682 6.257 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.283 7.396 2.431 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.986 4.747 4.105 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.880 3.365 4.547 1.00 0.00 C ATOM 1612 C CYS A 104 -5.421 2.904 4.665 1.00 0.00 C ATOM 1613 O CYS A 104 -4.630 3.040 3.725 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.673 2.461 3.584 1.00 0.00 C ATOM 1615 SG CYS A 104 -8.432 0.995 4.341 1.00 0.00 S ATOM 0 H CYS A 104 -7.105 4.864 3.099 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.306 3.291 5.547 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.458 3.056 3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.005 2.133 2.787 1.00 0.00 H new ATOM 1620 N ILE A 105 -5.095 2.366 5.843 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.761 1.874 6.175 1.00 0.00 C ATOM 1622 C ILE A 105 -3.849 0.448 6.730 1.00 0.00 C ATOM 1623 O ILE A 105 -4.917 0.010 7.169 1.00 0.00 O ATOM 1624 CB ILE A 105 -3.015 2.782 7.202 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.753 2.851 8.559 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.794 4.177 6.632 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.916 3.829 8.587 1.00 0.00 C ATOM 0 H ILE A 105 -5.765 2.259 6.605 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.185 1.888 5.249 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.042 2.327 7.388 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.123 1.857 8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.039 3.130 9.334 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.272 4.791 7.366 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.194 4.108 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.757 4.631 6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.379 3.816 9.574 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.552 4.833 8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.653 3.540 7.837 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.740 -0.279 6.709 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.741 -1.660 7.210 1.00 0.00 C ATOM 1641 C ILE A 106 -2.668 -1.658 8.757 1.00 0.00 C ATOM 1642 O ILE A 106 -1.785 -1.024 9.327 1.00 0.00 O ATOM 1643 CB ILE A 106 -1.465 -2.413 6.741 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -1.221 -2.298 5.224 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -1.573 -3.888 7.127 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -2.308 -2.850 4.365 1.00 0.00 C ATOM 0 H ILE A 106 -1.840 0.050 6.359 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.648 -2.137 6.838 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.617 -1.943 7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.079 -1.247 4.973 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.291 -2.812 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.678 -4.417 6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.669 -3.975 8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.449 -4.326 6.649 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.043 -2.722 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.438 -3.911 4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.239 -2.321 4.571 1.00 0.00 H new ATOM 1658 N SER A 107 -3.602 -2.357 9.436 1.00 0.00 N ATOM 1659 CA SER A 107 -3.512 -2.527 10.895 1.00 0.00 C ATOM 1660 C SER A 107 -2.692 -3.773 11.225 1.00 0.00 C ATOM 1661 O SER A 107 -2.338 -4.036 12.375 1.00 0.00 O ATOM 1662 CB SER A 107 -4.906 -2.629 11.533 1.00 0.00 C ATOM 1663 OG SER A 107 -5.611 -3.788 11.097 1.00 0.00 O ATOM 0 H SER A 107 -4.411 -2.804 9.004 1.00 0.00 H new ATOM 0 HA SER A 107 -3.017 -1.648 11.308 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.807 -2.652 12.618 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.484 -1.739 11.285 1.00 0.00 H new ATOM 0 HG SER A 107 -5.504 -3.891 10.128 1.00 0.00 H new ATOM 1669 N GLY A 108 -2.393 -4.514 10.194 1.00 0.00 N ATOM 1670 CA GLY A 108 -1.671 -5.750 10.313 1.00 0.00 C ATOM 1671 C GLY A 108 -2.539 -6.917 9.909 1.00 0.00 C ATOM 1672 O GLY A 108 -2.301 -7.538 8.878 1.00 0.00 O ATOM 0 H GLY A 108 -2.647 -4.273 9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.781 -5.718 9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.332 -5.881 11.341 1.00 0.00 H new ATOM 1676 N ASP A 109 -3.550 -7.209 10.720 1.00 0.00 N ATOM 1677 CA ASP A 109 -4.511 -8.273 10.408 1.00 0.00 C ATOM 1678 C ASP A 109 -5.291 -7.923 9.138 1.00 0.00 C ATOM 1679 O ASP A 109 -5.552 -8.769 8.278 1.00 0.00 O ATOM 1680 CB ASP A 109 -5.513 -8.433 11.565 1.00 0.00 C ATOM 1681 CG ASP A 109 -6.545 -9.526 11.311 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -6.280 -10.700 11.669 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -7.649 -9.213 10.791 1.00 0.00 O ATOM 0 H ASP A 109 -3.730 -6.726 11.600 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.959 -9.201 10.261 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.968 -8.661 12.481 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.027 -7.486 11.727 1.00 0.00 H new ATOM 1688 N THR A 110 -5.662 -6.662 9.052 1.00 0.00 N ATOM 1689 CA THR A 110 -6.524 -6.159 8.015 1.00 0.00 C ATOM 1690 C THR A 110 -6.157 -4.701 7.689 1.00 0.00 C ATOM 1691 O THR A 110 -5.162 -4.185 8.182 1.00 0.00 O ATOM 1692 CB THR A 110 -8.018 -6.278 8.451 1.00 0.00 C ATOM 1693 OG1 THR A 110 -8.896 -5.953 7.354 1.00 0.00 O ATOM 1694 CG2 THR A 110 -8.308 -5.358 9.640 1.00 0.00 C ATOM 0 H THR A 110 -5.364 -5.948 9.717 1.00 0.00 H new ATOM 0 HA THR A 110 -6.387 -6.756 7.114 1.00 0.00 H new ATOM 0 HB THR A 110 -8.200 -7.310 8.752 1.00 0.00 H new ATOM 0 HG1 THR A 110 -9.828 -6.035 7.646 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.355 -5.456 9.929 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.672 -5.638 10.480 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.104 -4.325 9.359 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.964 -4.061 6.869 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.786 -2.653 6.523 1.00 0.00 C ATOM 1704 C VAL A 111 -7.924 -1.811 7.121 1.00 0.00 C ATOM 1705 O VAL A 111 -9.108 -2.170 7.034 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.791 -2.445 4.998 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.517 -2.929 4.389 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.955 -3.175 4.391 1.00 0.00 C ATOM 0 H VAL A 111 -7.768 -4.498 6.418 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.824 -2.341 6.929 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.883 -1.378 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.546 -2.771 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.678 -2.378 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.395 -3.992 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.955 -3.025 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -7.871 -4.239 4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.885 -2.791 4.811 1.00 0.00 H new ATOM 1718 N ILE A 112 -7.542 -0.728 7.773 1.00 0.00 N ATOM 1719 CA ILE A 112 -8.477 0.175 8.433 1.00 0.00 C ATOM 1720 C ILE A 112 -8.266 1.615 7.989 1.00 0.00 C ATOM 1721 O ILE A 112 -7.228 1.961 7.435 1.00 0.00 O ATOM 1722 CB ILE A 112 -8.425 0.106 9.984 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -7.040 0.483 10.527 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -8.858 -1.267 10.491 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.990 0.598 12.042 1.00 0.00 C ATOM 0 H ILE A 112 -6.566 -0.445 7.862 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.465 -0.168 8.125 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.133 0.843 10.362 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.316 -0.265 10.204 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.734 1.433 10.089 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.811 -1.284 11.580 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.880 -1.468 10.169 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.193 -2.030 10.087 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.981 0.867 12.353 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -7.689 1.367 12.372 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -7.265 -0.358 12.489 1.00 0.00 H new ATOM 1737 N TRP A 113 -9.259 2.433 8.240 1.00 0.00 N ATOM 1738 CA TRP A 113 -9.269 3.823 7.840 1.00 0.00 C ATOM 1739 C TRP A 113 -8.758 4.682 9.025 1.00 0.00 C ATOM 1740 O TRP A 113 -8.977 4.329 10.187 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.717 4.188 7.490 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.241 3.426 6.291 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -12.062 2.327 6.311 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.994 3.708 4.909 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.328 1.912 5.043 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.695 2.741 4.156 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.258 4.678 4.236 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.673 2.721 2.763 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.239 4.660 2.851 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -10.944 3.686 2.126 1.00 0.00 C ATOM 0 H TRP A 113 -10.102 2.147 8.739 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.625 4.002 6.979 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.356 3.987 8.350 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.779 5.258 7.290 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.443 1.858 7.206 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.907 1.110 4.793 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.711 5.431 4.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.213 1.969 2.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.671 5.409 2.319 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.910 3.699 1.047 1.00 0.00 H new ATOM 1761 N ASP A 114 -8.063 5.791 8.724 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.388 6.605 9.771 1.00 0.00 C ATOM 1763 C ASP A 114 -8.280 7.688 10.379 1.00 0.00 C ATOM 1764 O ASP A 114 -7.815 8.480 11.203 1.00 0.00 O ATOM 1765 CB ASP A 114 -6.075 7.239 9.267 1.00 0.00 C ATOM 1766 CG ASP A 114 -6.285 8.343 8.240 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.404 8.458 7.693 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -5.331 9.120 8.004 1.00 0.00 O ATOM 0 H ASP A 114 -7.949 6.149 7.776 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.156 5.891 10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.528 7.645 10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.451 6.461 8.829 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.535 7.731 9.977 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.485 8.692 10.545 1.00 0.00 C ATOM 1775 C GLN A 115 -10.555 8.537 12.067 1.00 0.00 C ATOM 1776 O GLN A 115 -10.759 7.444 12.592 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.868 8.407 9.982 1.00 0.00 C ATOM 1778 CG GLN A 115 -12.972 9.309 10.481 1.00 0.00 C ATOM 1779 CD GLN A 115 -12.820 10.728 10.010 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -12.383 10.957 8.894 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -13.192 11.690 10.838 1.00 0.00 N ATOM 0 H GLN A 115 -9.928 7.118 9.263 1.00 0.00 H new ATOM 0 HA GLN A 115 -10.157 9.700 10.293 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.822 8.485 8.896 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -12.131 7.376 10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.933 8.920 10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.985 9.292 11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.552 11.456 11.763 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -13.119 12.666 10.552 1.00 0.00 H new ATOM 1790 N GLU A 116 -10.379 9.653 12.747 1.00 0.00 N ATOM 1791 CA GLU A 116 -10.388 9.703 14.206 1.00 0.00 C ATOM 1792 C GLU A 116 -11.768 9.371 14.770 1.00 0.00 C ATOM 1793 O GLU A 116 -11.911 8.641 15.753 1.00 0.00 O ATOM 1794 CB GLU A 116 -9.947 11.108 14.625 1.00 0.00 C ATOM 1795 CG GLU A 116 -10.907 12.220 14.200 1.00 0.00 C ATOM 1796 CD GLU A 116 -10.438 13.599 14.608 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -10.303 13.856 15.818 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -10.217 14.431 13.711 1.00 0.00 O ATOM 0 H GLU A 116 -10.224 10.559 12.305 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.704 8.955 14.606 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.837 11.134 15.709 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.964 11.310 14.200 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.031 12.191 13.117 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.887 12.032 14.638 1.00 0.00 H new ATOM 1805 N THR A 117 -12.734 9.895 14.103 1.00 0.00 N ATOM 1806 CA THR A 117 -14.141 9.725 14.390 1.00 0.00 C ATOM 1807 C THR A 117 -14.859 10.761 13.559 1.00 0.00 C ATOM 1808 O THR A 117 -14.302 11.835 13.333 1.00 0.00 O ATOM 1809 CB THR A 117 -14.484 9.930 15.908 1.00 0.00 C ATOM 1810 OG1 THR A 117 -15.806 9.450 16.166 1.00 0.00 O ATOM 1811 CG2 THR A 117 -14.403 11.404 16.326 1.00 0.00 C ATOM 0 H THR A 117 -12.569 10.491 13.292 1.00 0.00 H new ATOM 0 HA THR A 117 -14.445 8.706 14.152 1.00 0.00 H new ATOM 0 HB THR A 117 -13.748 9.373 16.487 1.00 0.00 H new ATOM 0 HG1 THR A 117 -16.021 9.576 17.114 1.00 0.00 H new ATOM 0 HG21 THR A 117 -14.648 11.496 17.384 1.00 0.00 H new ATOM 0 HG22 THR A 117 -13.393 11.776 16.154 1.00 0.00 H new ATOM 0 HG23 THR A 117 -15.110 11.989 15.737 1.00 0.00 H new ATOM 1819 N PRO A 118 -16.042 10.474 13.003 1.00 0.00 N ATOM 1820 CA PRO A 118 -16.726 11.481 12.211 1.00 0.00 C ATOM 1821 C PRO A 118 -17.054 12.703 13.053 1.00 0.00 C ATOM 1822 O PRO A 118 -17.464 12.592 14.211 1.00 0.00 O ATOM 1823 CB PRO A 118 -18.000 10.752 11.745 1.00 0.00 C ATOM 1824 CG PRO A 118 -17.692 9.296 11.919 1.00 0.00 C ATOM 1825 CD PRO A 118 -16.756 9.210 13.080 1.00 0.00 C ATOM 0 HA PRO A 118 -16.130 11.859 11.381 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.865 11.047 12.339 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.232 10.986 10.706 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.601 8.725 12.107 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.236 8.883 11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -17.290 9.102 14.024 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -16.082 8.357 12.996 1.00 0.00 H new ATOM 1833 N ILE A 119 -16.886 13.863 12.455 1.00 0.00 N ATOM 1834 CA ILE A 119 -17.106 15.129 13.111 1.00 0.00 C ATOM 1835 C ILE A 119 -18.006 15.990 12.293 1.00 0.00 C ATOM 1836 O ILE A 119 -17.778 16.155 11.117 1.00 0.00 O ATOM 1837 CB ILE A 119 -15.780 15.833 13.295 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -14.927 15.003 14.192 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -15.974 17.230 13.891 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -13.523 15.410 14.200 1.00 0.00 C ATOM 0 H ILE A 119 -16.588 13.952 11.484 1.00 0.00 H new ATOM 0 HA ILE A 119 -17.573 14.947 14.079 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.299 15.956 12.325 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -15.319 15.059 15.207 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -14.993 13.960 13.881 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.004 17.712 14.012 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -16.595 17.827 13.224 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -16.461 17.147 14.862 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.961 14.763 14.874 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.115 15.328 13.193 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.446 16.443 14.540 1.00 0.00 H new ATOM 1852 N CYS A 120 -19.003 16.540 12.873 1.00 0.00 N ATOM 1853 CA CYS A 120 -19.819 17.420 12.101 1.00 0.00 C ATOM 1854 C CYS A 120 -20.052 18.725 12.892 1.00 0.00 C ATOM 1855 O CYS A 120 -20.744 18.711 13.911 1.00 0.00 O ATOM 1856 CB CYS A 120 -21.147 16.734 11.741 1.00 0.00 C ATOM 1857 SG CYS A 120 -20.949 15.166 10.769 1.00 0.00 S ATOM 0 H CYS A 120 -19.276 16.409 13.847 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.314 17.668 11.167 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -21.691 16.513 12.660 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -21.759 17.430 11.167 1.00 0.00 H new ATOM 1862 N ASP A 121 -19.452 19.852 12.436 1.00 0.00 N ATOM 1863 CA ASP A 121 -19.594 21.145 13.157 1.00 0.00 C ATOM 1864 C ASP A 121 -21.035 21.616 13.178 1.00 0.00 C ATOM 1865 O ASP A 121 -21.548 22.012 14.216 1.00 0.00 O ATOM 1866 CB ASP A 121 -18.709 22.219 12.534 1.00 0.00 C ATOM 1867 CG ASP A 121 -18.835 23.569 13.217 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -18.524 23.668 14.411 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -19.219 24.540 12.544 1.00 0.00 O ATOM 0 H ASP A 121 -18.878 19.896 11.594 1.00 0.00 H new ATOM 0 HA ASP A 121 -19.273 20.975 14.185 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -17.670 21.893 12.576 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -18.967 22.327 11.480 1.00 0.00 H new ATOM 1874 N ARG A 122 -21.683 21.498 12.016 1.00 0.00 N ATOM 1875 CA ARG A 122 -23.089 21.879 11.822 1.00 0.00 C ATOM 1876 C ARG A 122 -23.515 23.102 12.678 1.00 0.00 C ATOM 1877 O ARG A 122 -24.183 22.898 13.743 1.00 0.00 O ATOM 1878 CB ARG A 122 -23.970 20.665 12.097 1.00 0.00 C ATOM 1879 CG ARG A 122 -25.446 20.899 11.843 1.00 0.00 C ATOM 1880 CD ARG A 122 -26.262 19.657 12.113 1.00 0.00 C ATOM 1881 NE ARG A 122 -26.199 19.251 13.524 1.00 0.00 N ATOM 1882 CZ ARG A 122 -27.000 19.711 14.507 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -27.850 20.713 14.272 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -26.918 19.190 15.735 1.00 0.00 N ATOM 0 H ARG A 122 -21.243 21.131 11.172 1.00 0.00 H new ATOM 0 HA ARG A 122 -23.214 22.199 10.788 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -23.632 19.836 11.474 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -23.835 20.360 13.135 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -25.800 21.712 12.477 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -25.592 21.213 10.810 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -27.300 19.838 11.834 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -25.901 18.843 11.485 1.00 0.00 H new ATOM 0 HE ARG A 122 -25.490 18.564 13.782 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -27.897 21.135 13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -28.453 21.056 15.020 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -26.250 18.444 15.929 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -27.524 19.538 16.478 1.00 0.00 H new