USER MOD reduce.3.24.130724 H: found=0, std=0, add=1118, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1129 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 130 THR OG1 : rot -34:sc= 1.16 USER MOD Set 1.2: A 134 TYR OH : rot -29:sc= 2.92 USER MOD Set 2.1: A 78 ASN : amide:sc= 1.68 K(o=3,f=-9.5!) USER MOD Set 2.2: A 80 ASN : amide:sc= -0.497 K(o=3,f=-0.37!) USER MOD Set 2.3: A 85 HIS : no HD1:sc= 0.705 K(o=3,f=-4.3!) USER MOD Set 2.4: A 112 SER OG : rot 100:sc= 0.924 USER MOD Set 2.5: A 138 CYS SG : rot 28:sc= 0.8 USER MOD Set 2.6: A 143 HIS : no HE2:sc= -0.649 K(o=3,f=1.6) USER MOD Set 3.1: A 71 THR OG1 : rot -74:sc= 1.32 USER MOD Set 3.2: A 128 HIS : no HE2:sc= 0.871 K(o=2.2,f=-5.1!) USER MOD Set 4.1: A 33 TYR OH : rot -95:sc= 1.38 USER MOD Set 4.2: A 57 HIS : no HE2:sc= -0.388 K(o=0.99,f=-7.2!) USER MOD Set 5.1: A 53 SER OG : rot 180:sc= 0.0161 USER MOD Set 5.2: A 60 LYS NZ :NH3+ -160:sc= 0.637 (180deg=-0.378) USER MOD Set 5.3: A 61 ASN : amide:sc= -2.64! C(o=-2!,f=-8.9!) USER MOD Set 6.1: A 39 HIS : no HE2:sc= 1.44 K(o=2.6,f=-6!) USER MOD Set 6.2: A 75 THR OG1 : rot -174:sc= 1.18 USER MOD Set 7.1: A 27 SER OG : rot 169:sc= 0.912 USER MOD Set 7.2: A 32 THR OG1 : rot -109:sc= 1.71 USER MOD Set 8.1: A 25 LYS NZ :NH3+ 164:sc= 0.91 (180deg=0) USER MOD Set 8.2: A 34 SER OG : rot 10:sc= 1.5 USER MOD Set 9.1: A 11 THR OG1 : rot -63:sc= 1.09 USER MOD Set 9.2: A 14 GLN : amide:sc= 0.674 K(o=1.8,f=1.1) USER MOD Single : A 5 THR OG1 : rot -27:sc= 0.664 USER MOD Single : A 6 THR OG1 : rot 180:sc=0.000136 USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0583) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -171:sc=-0.00439 (180deg=-0.133) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -119:sc= 0.741 USER MOD Single : A 30 THR OG1 : rot 19:sc= 0.303 USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0.556 (180deg=0.555) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 0.945 (180deg=0.766) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0869 USER MOD Single : A 79 THR OG1 : rot 179:sc= 0.061 USER MOD Single : A 81 LYS NZ :NH3+ -118:sc=-0.00623 (180deg=-0.0217) USER MOD Single : A 86 SER OG : rot -57:sc= 1.12 USER MOD Single : A 90 THR OG1 : rot 106:sc= 1.45 USER MOD Single : A 91 LYS NZ :NH3+ -173:sc=-0.00853 (180deg=-0.0867) USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 0.937 (180deg=0.658) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 99 MET CE :methyl -176:sc= 0 (180deg=-0.0389) USER MOD Single : A 109 THR OG1 : rot 21:sc= 1.71 USER MOD Single : A 116 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00855) USER MOD Single : A 119 LYS NZ :NH3+ 170:sc= -0.0064 (180deg=-0.136) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 128:sc= 1.73 USER MOD Single : A 126 THR OG1 : rot -74:sc= 1 USER MOD Single : A 133 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot 76:sc= 1.21 USER MOD Single : A 139 GLN : amide:sc= 0.825 K(o=0.83,f=-0.34) USER MOD Single : A 146 THR OG1 : rot -77:sc= 1.08 USER MOD Single : A 148 MET CE :methyl -147:sc= -1.02 (180deg=-1.98) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 5 -4.068 -2.741 13.637 1.00 0.00 N ATOM 55 CA THR A 5 -5.269 -2.491 14.412 1.00 0.00 C ATOM 56 C THR A 5 -5.986 -1.235 13.893 1.00 0.00 C ATOM 57 O THR A 5 -7.205 -1.118 14.014 1.00 0.00 O ATOM 58 CB THR A 5 -4.841 -2.337 15.877 1.00 0.00 C ATOM 59 OG1 THR A 5 -3.625 -1.610 15.919 1.00 0.00 O ATOM 60 CG2 THR A 5 -4.594 -3.711 16.508 1.00 0.00 C ATOM 0 HA THR A 5 -5.977 -3.315 14.320 1.00 0.00 H new ATOM 0 HB THR A 5 -5.630 -1.821 16.424 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.135 -1.743 15.081 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.291 -3.585 17.547 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.510 -4.301 16.466 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.805 -4.226 15.960 1.00 0.00 H new ATOM 68 N THR A 6 -5.245 -0.302 13.289 1.00 0.00 N ATOM 69 CA THR A 6 -5.743 0.994 12.864 1.00 0.00 C ATOM 70 C THR A 6 -6.540 0.907 11.556 1.00 0.00 C ATOM 71 O THR A 6 -6.165 1.506 10.550 1.00 0.00 O ATOM 72 CB THR A 6 -4.547 1.956 12.749 1.00 0.00 C ATOM 73 OG1 THR A 6 -3.663 1.734 13.832 1.00 0.00 O ATOM 74 CG2 THR A 6 -5.051 3.400 12.806 1.00 0.00 C ATOM 0 H THR A 6 -4.256 -0.438 13.080 1.00 0.00 H new ATOM 0 HA THR A 6 -6.445 1.373 13.606 1.00 0.00 H new ATOM 0 HB THR A 6 -4.029 1.782 11.806 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.899 2.344 13.761 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.206 4.084 12.725 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.742 3.577 11.982 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.565 3.569 13.752 1.00 0.00 H new ATOM 82 N TRP A 7 -7.665 0.194 11.589 1.00 0.00 N ATOM 83 CA TRP A 7 -8.626 0.088 10.494 1.00 0.00 C ATOM 84 C TRP A 7 -9.779 1.065 10.729 1.00 0.00 C ATOM 85 O TRP A 7 -10.302 1.130 11.840 1.00 0.00 O ATOM 86 CB TRP A 7 -9.194 -1.334 10.415 1.00 0.00 C ATOM 87 CG TRP A 7 -8.284 -2.400 9.889 1.00 0.00 C ATOM 88 CD1 TRP A 7 -7.931 -3.529 10.543 1.00 0.00 C ATOM 89 CD2 TRP A 7 -7.648 -2.485 8.579 1.00 0.00 C ATOM 90 NE1 TRP A 7 -7.124 -4.302 9.734 1.00 0.00 N ATOM 91 CE2 TRP A 7 -6.900 -3.696 8.518 1.00 0.00 C ATOM 92 CE3 TRP A 7 -7.635 -1.667 7.428 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -6.158 -4.060 7.386 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -6.827 -1.980 6.321 1.00 0.00 C ATOM 95 CH2 TRP A 7 -6.120 -3.194 6.282 1.00 0.00 C ATOM 0 H TRP A 7 -7.942 -0.345 12.410 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.115 0.325 9.561 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -9.516 -1.626 11.414 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -10.085 -1.309 9.787 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -8.235 -3.787 11.547 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.741 -5.208 10.003 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.257 -0.785 7.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.621 -4.997 7.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.749 -1.285 5.498 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.549 -3.460 5.405 1.00 0.00 H new ATOM 106 N LYS A 8 -10.182 1.809 9.695 1.00 0.00 N ATOM 107 CA LYS A 8 -11.338 2.698 9.722 1.00 0.00 C ATOM 108 C LYS A 8 -11.920 2.755 8.305 1.00 0.00 C ATOM 109 O LYS A 8 -11.403 2.086 7.412 1.00 0.00 O ATOM 110 CB LYS A 8 -10.900 4.104 10.174 1.00 0.00 C ATOM 111 CG LYS A 8 -10.352 4.155 11.604 1.00 0.00 C ATOM 112 CD LYS A 8 -10.061 5.610 11.996 1.00 0.00 C ATOM 113 CE LYS A 8 -9.615 5.725 13.459 1.00 0.00 C ATOM 114 NZ LYS A 8 -8.382 4.963 13.725 1.00 0.00 N ATOM 0 H LYS A 8 -9.699 1.807 8.796 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.089 2.331 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.136 4.473 9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.751 4.781 10.097 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.073 3.719 12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.442 3.560 11.676 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.285 6.014 11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.954 6.215 11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.453 6.774 13.706 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.411 5.364 14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.052 5.163 14.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.575 3.946 13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.648 5.242 13.043 1.00 0.00 H new ATOM 128 N GLU A 9 -12.979 3.543 8.078 1.00 0.00 N ATOM 129 CA GLU A 9 -13.493 3.815 6.742 1.00 0.00 C ATOM 130 C GLU A 9 -13.768 5.311 6.628 1.00 0.00 C ATOM 131 O GLU A 9 -14.428 5.878 7.496 1.00 0.00 O ATOM 132 CB GLU A 9 -14.752 3.026 6.358 1.00 0.00 C ATOM 133 CG GLU A 9 -14.755 1.552 6.803 1.00 0.00 C ATOM 134 CD GLU A 9 -15.240 1.383 8.237 1.00 0.00 C ATOM 135 OE1 GLU A 9 -16.423 1.577 8.495 1.00 0.00 O ATOM 136 OE2 GLU A 9 -14.312 1.010 9.156 1.00 0.00 O ATOM 0 H GLU A 9 -13.500 4.008 8.822 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.726 3.484 6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.620 3.523 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.870 3.064 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.394 0.974 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.748 1.145 6.712 1.00 0.00 H new ATOM 144 N ALA A 10 -13.236 5.936 5.581 1.00 0.00 N ATOM 145 CA ALA A 10 -13.517 7.311 5.220 1.00 0.00 C ATOM 146 C ALA A 10 -14.673 7.253 4.214 1.00 0.00 C ATOM 147 O ALA A 10 -15.443 6.291 4.224 1.00 0.00 O ATOM 148 CB ALA A 10 -12.236 7.930 4.647 1.00 0.00 C ATOM 0 H ALA A 10 -12.580 5.482 4.946 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.813 7.939 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.426 8.967 4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.447 7.895 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.923 7.369 3.766 1.00 0.00 H new ATOM 154 N THR A 11 -14.781 8.221 3.304 1.00 0.00 N ATOM 155 CA THR A 11 -15.759 8.209 2.225 1.00 0.00 C ATOM 156 C THR A 11 -15.098 8.784 0.965 1.00 0.00 C ATOM 157 O THR A 11 -14.010 9.354 1.051 1.00 0.00 O ATOM 158 CB THR A 11 -17.021 8.984 2.631 1.00 0.00 C ATOM 159 OG1 THR A 11 -16.695 10.342 2.840 1.00 0.00 O ATOM 160 CG2 THR A 11 -17.693 8.462 3.906 1.00 0.00 C ATOM 0 H THR A 11 -14.181 9.046 3.299 1.00 0.00 H new ATOM 0 HA THR A 11 -16.081 7.189 2.013 1.00 0.00 H new ATOM 0 HB THR A 11 -17.726 8.850 1.810 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.065 10.416 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.576 9.063 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.988 7.422 3.763 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.994 8.529 4.739 1.00 0.00 H new ATOM 168 N LEU A 12 -15.740 8.641 -0.199 1.00 0.00 N ATOM 169 CA LEU A 12 -15.177 9.024 -1.497 1.00 0.00 C ATOM 170 C LEU A 12 -14.370 10.337 -1.500 1.00 0.00 C ATOM 171 O LEU A 12 -13.184 10.303 -1.832 1.00 0.00 O ATOM 172 CB LEU A 12 -16.267 8.983 -2.579 1.00 0.00 C ATOM 173 CG LEU A 12 -15.704 9.169 -4.002 1.00 0.00 C ATOM 174 CD1 LEU A 12 -16.458 8.261 -4.981 1.00 0.00 C ATOM 175 CD2 LEU A 12 -15.826 10.622 -4.483 1.00 0.00 C ATOM 0 H LEU A 12 -16.680 8.250 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.421 8.276 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -16.792 8.030 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.001 9.764 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 12 -14.647 8.905 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -16.057 8.396 -5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.337 7.221 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -17.517 8.520 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.417 10.707 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -16.876 10.916 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.272 11.276 -3.810 1.00 0.00 H new ATOM 187 N PRO A 13 -14.939 11.502 -1.138 1.00 0.00 N ATOM 188 CA PRO A 13 -14.195 12.757 -1.180 1.00 0.00 C ATOM 189 C PRO A 13 -12.962 12.730 -0.269 1.00 0.00 C ATOM 190 O PRO A 13 -11.960 13.387 -0.549 1.00 0.00 O ATOM 191 CB PRO A 13 -15.190 13.845 -0.765 1.00 0.00 C ATOM 192 CG PRO A 13 -16.235 13.086 0.051 1.00 0.00 C ATOM 193 CD PRO A 13 -16.294 11.736 -0.661 1.00 0.00 C ATOM 0 HA PRO A 13 -13.798 12.944 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.708 14.624 -0.174 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -15.635 14.332 -1.632 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -15.938 12.982 1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -17.201 13.591 0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -16.616 10.946 0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -17.005 11.756 -1.487 1.00 0.00 H new ATOM 201 N GLN A 14 -13.004 11.950 0.814 1.00 0.00 N ATOM 202 CA GLN A 14 -11.872 11.835 1.714 1.00 0.00 C ATOM 203 C GLN A 14 -10.699 11.141 1.022 1.00 0.00 C ATOM 204 O GLN A 14 -9.556 11.365 1.409 1.00 0.00 O ATOM 205 CB GLN A 14 -12.271 11.137 3.008 1.00 0.00 C ATOM 206 CG GLN A 14 -13.475 11.843 3.655 1.00 0.00 C ATOM 207 CD GLN A 14 -13.902 11.184 4.958 1.00 0.00 C ATOM 208 OE1 GLN A 14 -14.930 10.518 5.004 1.00 0.00 O ATOM 209 NE2 GLN A 14 -13.115 11.337 6.018 1.00 0.00 N ATOM 0 H GLN A 14 -13.814 11.391 1.082 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.541 12.838 1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -12.520 10.096 2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -11.429 11.134 3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.222 12.886 3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.313 11.839 2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.266 11.898 5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.360 10.893 6.903 1.00 0.00 H new ATOM 218 N VAL A 15 -10.953 10.316 -0.003 1.00 0.00 N ATOM 219 CA VAL A 15 -9.862 9.744 -0.783 1.00 0.00 C ATOM 220 C VAL A 15 -9.105 10.893 -1.446 1.00 0.00 C ATOM 221 O VAL A 15 -7.884 10.983 -1.343 1.00 0.00 O ATOM 222 CB VAL A 15 -10.371 8.765 -1.852 1.00 0.00 C ATOM 223 CG1 VAL A 15 -9.194 8.054 -2.533 1.00 0.00 C ATOM 224 CG2 VAL A 15 -11.307 7.705 -1.278 1.00 0.00 C ATOM 0 H VAL A 15 -11.887 10.038 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.210 9.177 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.928 9.363 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.573 7.364 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.548 8.793 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.624 7.499 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.637 7.040 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.780 7.127 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.174 8.190 -0.828 1.00 0.00 H new ATOM 234 N LYS A 16 -9.844 11.785 -2.115 1.00 0.00 N ATOM 235 CA LYS A 16 -9.272 12.951 -2.769 1.00 0.00 C ATOM 236 C LYS A 16 -8.524 13.799 -1.740 1.00 0.00 C ATOM 237 O LYS A 16 -7.414 14.266 -1.998 1.00 0.00 O ATOM 238 CB LYS A 16 -10.357 13.761 -3.491 1.00 0.00 C ATOM 239 CG LYS A 16 -11.065 12.930 -4.573 1.00 0.00 C ATOM 240 CD LYS A 16 -12.216 13.698 -5.237 1.00 0.00 C ATOM 241 CE LYS A 16 -11.736 14.937 -6.004 1.00 0.00 C ATOM 242 NZ LYS A 16 -12.838 15.557 -6.761 1.00 0.00 N ATOM 0 H LYS A 16 -10.857 11.712 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.561 12.624 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.090 14.114 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.909 14.644 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.341 12.635 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.452 12.013 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.743 13.034 -5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.932 14.003 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.319 15.662 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.935 14.657 -6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.483 16.392 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.218 14.872 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.591 15.846 -6.104 1.00 0.00 H new ATOM 256 N ALA A 17 -9.118 14.002 -0.563 1.00 0.00 N ATOM 257 CA ALA A 17 -8.438 14.704 0.515 1.00 0.00 C ATOM 258 C ALA A 17 -7.097 14.039 0.843 1.00 0.00 C ATOM 259 O ALA A 17 -6.056 14.682 0.751 1.00 0.00 O ATOM 260 CB ALA A 17 -9.336 14.807 1.744 1.00 0.00 C ATOM 0 H ALA A 17 -10.063 13.691 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.222 15.719 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.808 15.335 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.244 15.353 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.599 13.806 2.087 1.00 0.00 H new ATOM 266 N MET A 18 -7.108 12.754 1.208 1.00 0.00 N ATOM 267 CA MET A 18 -5.901 12.040 1.600 1.00 0.00 C ATOM 268 C MET A 18 -4.853 12.055 0.485 1.00 0.00 C ATOM 269 O MET A 18 -3.685 12.321 0.759 1.00 0.00 O ATOM 270 CB MET A 18 -6.235 10.616 2.055 1.00 0.00 C ATOM 271 CG MET A 18 -6.876 10.647 3.450 1.00 0.00 C ATOM 272 SD MET A 18 -7.289 9.036 4.161 1.00 0.00 S ATOM 273 CE MET A 18 -8.609 8.543 3.039 1.00 0.00 C ATOM 0 H MET A 18 -7.954 12.185 1.238 1.00 0.00 H new ATOM 0 HA MET A 18 -5.462 12.561 2.450 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.915 10.148 1.343 1.00 0.00 H new ATOM 0 HB3 MET A 18 -5.329 10.010 2.075 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.196 11.160 4.130 1.00 0.00 H new ATOM 0 HG3 MET A 18 -7.786 11.244 3.398 1.00 0.00 H new ATOM 0 HE1 MET A 18 -9.093 7.644 3.420 1.00 0.00 H new ATOM 0 HE2 MET A 18 -9.342 9.346 2.964 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.191 8.340 2.053 1.00 0.00 H new ATOM 283 N LEU A 19 -5.253 11.806 -0.765 1.00 0.00 N ATOM 284 CA LEU A 19 -4.364 11.901 -1.920 1.00 0.00 C ATOM 285 C LEU A 19 -3.624 13.238 -1.925 1.00 0.00 C ATOM 286 O LEU A 19 -2.402 13.268 -2.071 1.00 0.00 O ATOM 287 CB LEU A 19 -5.150 11.710 -3.227 1.00 0.00 C ATOM 288 CG LEU A 19 -5.537 10.249 -3.509 1.00 0.00 C ATOM 289 CD1 LEU A 19 -6.578 10.202 -4.633 1.00 0.00 C ATOM 290 CD2 LEU A 19 -4.322 9.427 -3.954 1.00 0.00 C ATOM 0 H LEU A 19 -6.206 11.532 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.625 11.104 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.056 12.315 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.552 12.085 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.938 9.828 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.852 9.166 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.464 10.760 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.159 10.647 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.629 8.399 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.906 9.857 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.567 9.440 -3.168 1.00 0.00 H new ATOM 302 N GLU A 20 -4.345 14.343 -1.717 1.00 0.00 N ATOM 303 CA GLU A 20 -3.736 15.668 -1.663 1.00 0.00 C ATOM 304 C GLU A 20 -2.723 15.818 -0.518 1.00 0.00 C ATOM 305 O GLU A 20 -1.949 16.772 -0.533 1.00 0.00 O ATOM 306 CB GLU A 20 -4.824 16.746 -1.584 1.00 0.00 C ATOM 307 CG GLU A 20 -5.659 16.785 -2.871 1.00 0.00 C ATOM 308 CD GLU A 20 -6.917 17.618 -2.694 1.00 0.00 C ATOM 309 OE1 GLU A 20 -6.938 18.776 -3.098 1.00 0.00 O ATOM 310 OE2 GLU A 20 -7.949 16.985 -2.079 1.00 0.00 O ATOM 0 H GLU A 20 -5.356 14.342 -1.583 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.169 15.798 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.474 16.549 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.364 17.720 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.059 17.198 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.931 15.770 -3.160 1.00 0.00 H new ATOM 318 N LYS A 21 -2.706 14.909 0.466 1.00 0.00 N ATOM 319 CA LYS A 21 -1.726 14.925 1.546 1.00 0.00 C ATOM 320 C LYS A 21 -0.567 13.961 1.272 1.00 0.00 C ATOM 321 O LYS A 21 0.262 13.747 2.154 1.00 0.00 O ATOM 322 CB LYS A 21 -2.395 14.572 2.885 1.00 0.00 C ATOM 323 CG LYS A 21 -3.671 15.363 3.205 1.00 0.00 C ATOM 324 CD LYS A 21 -3.535 16.884 3.069 1.00 0.00 C ATOM 325 CE LYS A 21 -2.446 17.457 3.985 1.00 0.00 C ATOM 326 NZ LYS A 21 -2.394 18.926 3.894 1.00 0.00 N ATOM 0 H LYS A 21 -3.376 14.142 0.530 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.319 15.935 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.636 13.509 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.675 14.734 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.468 15.023 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.981 15.130 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.304 17.134 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.490 17.354 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.640 17.160 5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.478 17.038 3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.649 19.287 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.185 19.206 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.311 19.324 4.180 1.00 0.00 H new ATOM 340 N ASP A 22 -0.507 13.322 0.100 1.00 0.00 N ATOM 341 CA ASP A 22 0.568 12.383 -0.193 1.00 0.00 C ATOM 342 C ASP A 22 1.870 13.132 -0.481 1.00 0.00 C ATOM 343 O ASP A 22 1.910 13.952 -1.395 1.00 0.00 O ATOM 344 CB ASP A 22 0.207 11.513 -1.396 1.00 0.00 C ATOM 345 CG ASP A 22 1.349 10.557 -1.683 1.00 0.00 C ATOM 346 OD1 ASP A 22 2.222 10.894 -2.473 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.376 9.393 -0.975 1.00 0.00 O ATOM 0 H ASP A 22 -1.186 13.439 -0.652 1.00 0.00 H new ATOM 0 HA ASP A 22 0.706 11.746 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.708 10.955 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.014 12.139 -2.267 1.00 0.00 H new ATOM 353 N THR A 23 2.949 12.816 0.238 1.00 0.00 N ATOM 354 CA THR A 23 4.226 13.506 0.110 1.00 0.00 C ATOM 355 C THR A 23 5.176 12.815 -0.889 1.00 0.00 C ATOM 356 O THR A 23 6.393 12.908 -0.738 1.00 0.00 O ATOM 357 CB THR A 23 4.814 13.639 1.527 1.00 0.00 C ATOM 358 OG1 THR A 23 4.626 12.446 2.275 1.00 0.00 O ATOM 359 CG2 THR A 23 4.093 14.758 2.286 1.00 0.00 C ATOM 0 H THR A 23 2.957 12.067 0.930 1.00 0.00 H new ATOM 0 HA THR A 23 4.082 14.498 -0.318 1.00 0.00 H new ATOM 0 HB THR A 23 5.878 13.851 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.081 12.639 3.067 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.513 14.847 3.288 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.221 15.700 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.031 14.523 2.358 1.00 0.00 H new ATOM 367 N GLY A 24 4.641 12.132 -1.909 1.00 0.00 N ATOM 368 CA GLY A 24 5.391 11.350 -2.886 1.00 0.00 C ATOM 369 C GLY A 24 5.486 12.082 -4.220 1.00 0.00 C ATOM 370 O GLY A 24 4.488 12.232 -4.920 1.00 0.00 O ATOM 0 H GLY A 24 3.635 12.112 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.393 11.151 -2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.907 10.384 -3.032 1.00 0.00 H new ATOM 374 N LYS A 25 6.691 12.520 -4.582 1.00 0.00 N ATOM 375 CA LYS A 25 6.965 13.109 -5.882 1.00 0.00 C ATOM 376 C LYS A 25 7.120 11.981 -6.903 1.00 0.00 C ATOM 377 O LYS A 25 7.376 10.834 -6.537 1.00 0.00 O ATOM 378 CB LYS A 25 8.245 13.948 -5.799 1.00 0.00 C ATOM 379 CG LYS A 25 8.056 15.149 -4.862 1.00 0.00 C ATOM 380 CD LYS A 25 9.373 15.891 -4.608 1.00 0.00 C ATOM 381 CE LYS A 25 10.286 15.090 -3.672 1.00 0.00 C ATOM 382 NZ LYS A 25 11.482 15.860 -3.293 1.00 0.00 N ATOM 0 H LYS A 25 7.508 12.473 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 25 6.147 13.760 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.067 13.329 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.520 14.298 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.330 15.837 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.643 14.807 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.883 16.068 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.165 16.868 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.733 14.810 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.588 14.164 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.933 15.417 -2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.153 15.873 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.207 16.834 -3.056 1.00 0.00 H new ATOM 396 N VAL A 26 6.963 12.304 -8.186 1.00 0.00 N ATOM 397 CA VAL A 26 7.109 11.348 -9.273 1.00 0.00 C ATOM 398 C VAL A 26 8.598 11.188 -9.591 1.00 0.00 C ATOM 399 O VAL A 26 9.385 12.114 -9.390 1.00 0.00 O ATOM 400 CB VAL A 26 6.310 11.833 -10.499 1.00 0.00 C ATOM 401 CG1 VAL A 26 6.200 10.729 -11.559 1.00 0.00 C ATOM 402 CG2 VAL A 26 4.894 12.268 -10.095 1.00 0.00 C ATOM 0 H VAL A 26 6.729 13.246 -8.499 1.00 0.00 H new ATOM 0 HA VAL A 26 6.712 10.375 -8.986 1.00 0.00 H new ATOM 0 HB VAL A 26 6.849 12.684 -10.916 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.632 11.099 -12.412 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.198 10.438 -11.887 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.692 9.864 -11.132 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.351 12.606 -10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.368 11.425 -9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.956 13.083 -9.373 1.00 0.00 H new ATOM 412 N SER A 27 9.012 10.017 -10.077 1.00 0.00 N ATOM 413 CA SER A 27 10.375 9.769 -10.521 1.00 0.00 C ATOM 414 C SER A 27 10.348 8.765 -11.671 1.00 0.00 C ATOM 415 O SER A 27 10.834 7.644 -11.546 1.00 0.00 O ATOM 416 CB SER A 27 11.225 9.295 -9.338 1.00 0.00 C ATOM 417 OG SER A 27 11.121 10.221 -8.272 1.00 0.00 O ATOM 0 H SER A 27 8.399 9.207 -10.173 1.00 0.00 H new ATOM 0 HA SER A 27 10.834 10.684 -10.894 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.892 8.310 -9.010 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.266 9.194 -9.644 1.00 0.00 H new ATOM 0 HG SER A 27 11.514 9.833 -7.462 1.00 0.00 H new ATOM 423 N GLY A 28 9.760 9.175 -12.798 1.00 0.00 N ATOM 424 CA GLY A 28 9.638 8.345 -13.984 1.00 0.00 C ATOM 425 C GLY A 28 8.821 7.091 -13.679 1.00 0.00 C ATOM 426 O GLY A 28 7.616 7.180 -13.457 1.00 0.00 O ATOM 0 H GLY A 28 9.353 10.104 -12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.161 8.911 -14.784 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.629 8.063 -14.341 1.00 0.00 H new ATOM 430 N ASP A 29 9.476 5.928 -13.646 1.00 0.00 N ATOM 431 CA ASP A 29 8.870 4.638 -13.330 1.00 0.00 C ATOM 432 C ASP A 29 9.087 4.296 -11.854 1.00 0.00 C ATOM 433 O ASP A 29 9.346 3.143 -11.517 1.00 0.00 O ATOM 434 CB ASP A 29 9.463 3.548 -14.240 1.00 0.00 C ATOM 435 CG ASP A 29 10.941 3.291 -13.973 1.00 0.00 C ATOM 436 OD1 ASP A 29 11.669 4.224 -13.642 1.00 0.00 O ATOM 437 OD2 ASP A 29 11.369 2.013 -14.143 1.00 0.00 O ATOM 0 H ASP A 29 10.474 5.859 -13.845 1.00 0.00 H new ATOM 0 HA ASP A 29 7.796 4.693 -13.508 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.907 2.621 -14.098 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.333 3.841 -15.282 1.00 0.00 H new ATOM 443 N THR A 30 9.026 5.293 -10.973 1.00 0.00 N ATOM 444 CA THR A 30 9.234 5.184 -9.539 1.00 0.00 C ATOM 445 C THR A 30 8.589 6.440 -8.925 1.00 0.00 C ATOM 446 O THR A 30 8.330 7.407 -9.646 1.00 0.00 O ATOM 447 CB THR A 30 10.757 5.073 -9.273 1.00 0.00 C ATOM 448 OG1 THR A 30 11.249 3.805 -9.651 1.00 0.00 O ATOM 449 CG2 THR A 30 11.224 5.349 -7.848 1.00 0.00 C ATOM 0 H THR A 30 8.818 6.249 -11.261 1.00 0.00 H new ATOM 0 HA THR A 30 8.780 4.300 -9.090 1.00 0.00 H new ATOM 0 HB THR A 30 11.164 5.875 -9.888 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.613 3.376 -10.261 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.307 5.239 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.947 6.364 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.752 4.641 -7.167 1.00 0.00 H new ATOM 457 N VAL A 31 8.311 6.424 -7.620 1.00 0.00 N ATOM 458 CA VAL A 31 7.838 7.544 -6.808 1.00 0.00 C ATOM 459 C VAL A 31 8.879 7.767 -5.705 1.00 0.00 C ATOM 460 O VAL A 31 9.572 6.825 -5.320 1.00 0.00 O ATOM 461 CB VAL A 31 6.407 7.252 -6.293 1.00 0.00 C ATOM 462 CG1 VAL A 31 6.083 7.852 -4.918 1.00 0.00 C ATOM 463 CG2 VAL A 31 5.384 7.847 -7.265 1.00 0.00 C ATOM 0 H VAL A 31 8.418 5.573 -7.068 1.00 0.00 H new ATOM 0 HA VAL A 31 7.748 8.470 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 31 6.357 6.166 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.061 7.595 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.772 7.451 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.186 8.936 -4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.376 7.642 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.532 8.925 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.514 7.398 -8.250 1.00 0.00 H new ATOM 473 N THR A 32 9.018 8.998 -5.208 1.00 0.00 N ATOM 474 CA THR A 32 10.051 9.366 -4.257 1.00 0.00 C ATOM 475 C THR A 32 9.463 10.313 -3.222 1.00 0.00 C ATOM 476 O THR A 32 9.021 11.409 -3.563 1.00 0.00 O ATOM 477 CB THR A 32 11.223 10.013 -5.006 1.00 0.00 C ATOM 478 OG1 THR A 32 11.791 9.064 -5.887 1.00 0.00 O ATOM 479 CG2 THR A 32 12.312 10.520 -4.058 1.00 0.00 C ATOM 0 H THR A 32 8.405 9.772 -5.463 1.00 0.00 H new ATOM 0 HA THR A 32 10.424 8.482 -3.740 1.00 0.00 H new ATOM 0 HB THR A 32 10.830 10.871 -5.552 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.670 8.790 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.119 10.969 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.890 11.266 -3.385 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.704 9.686 -3.475 1.00 0.00 H new ATOM 487 N TYR A 33 9.454 9.890 -1.961 1.00 0.00 N ATOM 488 CA TYR A 33 9.040 10.737 -0.860 1.00 0.00 C ATOM 489 C TYR A 33 10.210 11.614 -0.424 1.00 0.00 C ATOM 490 O TYR A 33 11.353 11.399 -0.827 1.00 0.00 O ATOM 491 CB TYR A 33 8.493 9.872 0.276 1.00 0.00 C ATOM 492 CG TYR A 33 7.178 9.204 -0.074 1.00 0.00 C ATOM 493 CD1 TYR A 33 7.150 8.034 -0.856 1.00 0.00 C ATOM 494 CD2 TYR A 33 5.971 9.832 0.280 1.00 0.00 C ATOM 495 CE1 TYR A 33 5.928 7.562 -1.363 1.00 0.00 C ATOM 496 CE2 TYR A 33 4.755 9.372 -0.246 1.00 0.00 C ATOM 497 CZ TYR A 33 4.741 8.263 -1.106 1.00 0.00 C ATOM 498 OH TYR A 33 3.587 7.887 -1.725 1.00 0.00 O ATOM 0 H TYR A 33 9.734 8.950 -1.680 1.00 0.00 H new ATOM 0 HA TYR A 33 8.236 11.403 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.227 9.107 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.356 10.490 1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.065 7.501 -1.066 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.980 10.672 0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.903 6.657 -1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.832 9.870 0.010 1.00 0.00 H new ATOM 0 HH TYR A 33 3.458 8.427 -2.532 1.00 0.00 H new ATOM 508 N SER A 34 9.936 12.632 0.390 1.00 0.00 N ATOM 509 CA SER A 34 10.945 13.506 0.964 1.00 0.00 C ATOM 510 C SER A 34 10.405 14.040 2.286 1.00 0.00 C ATOM 511 O SER A 34 9.191 14.081 2.481 1.00 0.00 O ATOM 512 CB SER A 34 11.287 14.635 -0.013 1.00 0.00 C ATOM 513 OG SER A 34 11.988 14.113 -1.127 1.00 0.00 O ATOM 0 H SER A 34 8.986 12.873 0.672 1.00 0.00 H new ATOM 0 HA SER A 34 11.871 12.961 1.150 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.374 15.129 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.893 15.390 0.488 1.00 0.00 H new ATOM 0 HG SER A 34 11.959 13.134 -1.102 1.00 0.00 H new ATOM 519 N GLY A 35 11.310 14.440 3.183 1.00 0.00 N ATOM 520 CA GLY A 35 10.950 14.834 4.534 1.00 0.00 C ATOM 521 C GLY A 35 10.656 13.588 5.372 1.00 0.00 C ATOM 522 O GLY A 35 10.498 12.492 4.839 1.00 0.00 O ATOM 0 H GLY A 35 12.309 14.497 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.762 15.405 4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.076 15.485 4.513 1.00 0.00 H new ATOM 526 N LYS A 36 10.602 13.741 6.697 1.00 0.00 N ATOM 527 CA LYS A 36 10.328 12.619 7.585 1.00 0.00 C ATOM 528 C LYS A 36 8.856 12.195 7.498 1.00 0.00 C ATOM 529 O LYS A 36 8.531 11.030 7.734 1.00 0.00 O ATOM 530 CB LYS A 36 10.737 12.976 9.020 1.00 0.00 C ATOM 531 CG LYS A 36 12.249 13.218 9.173 1.00 0.00 C ATOM 532 CD LYS A 36 13.062 11.917 9.075 1.00 0.00 C ATOM 533 CE LYS A 36 14.553 12.179 9.306 1.00 0.00 C ATOM 534 NZ LYS A 36 15.325 10.923 9.311 1.00 0.00 N ATOM 0 H LYS A 36 10.745 14.631 7.174 1.00 0.00 H new ATOM 0 HA LYS A 36 10.923 11.763 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.198 13.870 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.434 12.171 9.689 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.583 13.912 8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.443 13.693 10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.697 11.201 9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.917 11.467 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.933 12.839 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.690 12.696 10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.333 11.136 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.988 10.312 10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.199 10.434 8.402 1.00 0.00 H new ATOM 548 N THR A 37 7.965 13.127 7.151 1.00 0.00 N ATOM 549 CA THR A 37 6.532 12.894 7.074 1.00 0.00 C ATOM 550 C THR A 37 6.181 12.171 5.769 1.00 0.00 C ATOM 551 O THR A 37 5.533 12.716 4.875 1.00 0.00 O ATOM 552 CB THR A 37 5.806 14.239 7.216 1.00 0.00 C ATOM 553 OG1 THR A 37 6.467 15.022 8.193 1.00 0.00 O ATOM 554 CG2 THR A 37 4.354 14.004 7.638 1.00 0.00 C ATOM 0 H THR A 37 8.231 14.082 6.912 1.00 0.00 H new ATOM 0 HA THR A 37 6.206 12.244 7.886 1.00 0.00 H new ATOM 0 HB THR A 37 5.816 14.761 6.259 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.009 15.883 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.844 14.962 7.737 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.849 13.401 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.333 13.481 8.594 1.00 0.00 H new ATOM 562 N VAL A 38 6.619 10.920 5.668 1.00 0.00 N ATOM 563 CA VAL A 38 6.391 10.065 4.515 1.00 0.00 C ATOM 564 C VAL A 38 4.972 9.505 4.612 1.00 0.00 C ATOM 565 O VAL A 38 4.726 8.561 5.359 1.00 0.00 O ATOM 566 CB VAL A 38 7.484 8.986 4.478 1.00 0.00 C ATOM 567 CG1 VAL A 38 7.215 7.919 3.414 1.00 0.00 C ATOM 568 CG2 VAL A 38 8.833 9.646 4.176 1.00 0.00 C ATOM 0 H VAL A 38 7.156 10.464 6.406 1.00 0.00 H new ATOM 0 HA VAL A 38 6.459 10.609 3.573 1.00 0.00 H new ATOM 0 HB VAL A 38 7.491 8.497 5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.016 7.180 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.265 7.428 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.172 8.388 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.613 8.885 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.784 10.150 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.064 10.374 4.954 1.00 0.00 H new ATOM 578 N HIS A 39 4.029 10.107 3.882 1.00 0.00 N ATOM 579 CA HIS A 39 2.622 9.740 3.913 1.00 0.00 C ATOM 580 C HIS A 39 2.281 9.021 2.609 1.00 0.00 C ATOM 581 O HIS A 39 1.991 9.673 1.605 1.00 0.00 O ATOM 582 CB HIS A 39 1.783 11.005 4.123 1.00 0.00 C ATOM 583 CG HIS A 39 0.305 10.727 4.186 1.00 0.00 C ATOM 584 ND1 HIS A 39 -0.680 11.449 3.543 1.00 0.00 N ATOM 585 CD2 HIS A 39 -0.288 9.687 4.840 1.00 0.00 C ATOM 586 CE1 HIS A 39 -1.858 10.846 3.793 1.00 0.00 C ATOM 587 NE2 HIS A 39 -1.638 9.773 4.578 1.00 0.00 N ATOM 0 H HIS A 39 4.232 10.876 3.243 1.00 0.00 H new ATOM 0 HA HIS A 39 2.402 9.062 4.737 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.095 11.492 5.047 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.981 11.705 3.311 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -0.541 12.288 2.980 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.205 8.941 5.446 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.821 11.169 3.425 1.00 0.00 H new ATOM 596 N VAL A 40 2.334 7.686 2.612 1.00 0.00 N ATOM 597 CA VAL A 40 2.165 6.874 1.410 1.00 0.00 C ATOM 598 C VAL A 40 0.683 6.562 1.210 1.00 0.00 C ATOM 599 O VAL A 40 0.133 5.752 1.948 1.00 0.00 O ATOM 600 CB VAL A 40 3.004 5.585 1.502 1.00 0.00 C ATOM 601 CG1 VAL A 40 2.992 4.834 0.164 1.00 0.00 C ATOM 602 CG2 VAL A 40 4.452 5.877 1.911 1.00 0.00 C ATOM 0 H VAL A 40 2.497 7.137 3.456 1.00 0.00 H new ATOM 0 HA VAL A 40 2.522 7.432 0.544 1.00 0.00 H new ATOM 0 HB VAL A 40 2.549 4.962 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.590 3.927 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.967 4.569 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.410 5.472 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.010 4.942 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.913 6.533 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.464 6.363 2.887 1.00 0.00 H new ATOM 612 N VAL A 41 0.031 7.189 0.228 1.00 0.00 N ATOM 613 CA VAL A 41 -1.391 6.991 -0.029 1.00 0.00 C ATOM 614 C VAL A 41 -1.543 5.892 -1.086 1.00 0.00 C ATOM 615 O VAL A 41 -1.510 6.162 -2.286 1.00 0.00 O ATOM 616 CB VAL A 41 -2.048 8.334 -0.390 1.00 0.00 C ATOM 617 CG1 VAL A 41 -3.569 8.192 -0.535 1.00 0.00 C ATOM 618 CG2 VAL A 41 -1.795 9.347 0.736 1.00 0.00 C ATOM 0 H VAL A 41 0.477 7.848 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.923 6.645 0.858 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.616 8.665 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.002 9.159 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.794 7.474 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.993 7.842 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.260 10.299 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.223 8.972 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.722 9.490 0.862 1.00 0.00 H new ATOM 628 N ALA A 42 -1.658 4.644 -0.622 1.00 0.00 N ATOM 629 CA ALA A 42 -1.705 3.444 -1.444 1.00 0.00 C ATOM 630 C ALA A 42 -3.158 3.042 -1.714 1.00 0.00 C ATOM 631 O ALA A 42 -3.875 2.617 -0.807 1.00 0.00 O ATOM 632 CB ALA A 42 -0.943 2.320 -0.735 1.00 0.00 C ATOM 0 H ALA A 42 -1.723 4.441 0.375 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.231 3.638 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.974 1.418 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.094 2.621 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.406 2.120 0.232 1.00 0.00 H new ATOM 638 N ALA A 43 -3.595 3.159 -2.966 1.00 0.00 N ATOM 639 CA ALA A 43 -4.908 2.708 -3.393 1.00 0.00 C ATOM 640 C ALA A 43 -4.801 1.240 -3.800 1.00 0.00 C ATOM 641 O ALA A 43 -3.782 0.823 -4.351 1.00 0.00 O ATOM 642 CB ALA A 43 -5.384 3.572 -4.558 1.00 0.00 C ATOM 0 H ALA A 43 -3.040 3.573 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.635 2.801 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.369 3.236 -4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.442 4.613 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.681 3.485 -5.387 1.00 0.00 H new ATOM 648 N ALA A 44 -5.829 0.438 -3.516 1.00 0.00 N ATOM 649 CA ALA A 44 -5.797 -0.983 -3.820 1.00 0.00 C ATOM 650 C ALA A 44 -7.115 -1.435 -4.444 1.00 0.00 C ATOM 651 O ALA A 44 -8.126 -1.585 -3.760 1.00 0.00 O ATOM 652 CB ALA A 44 -5.433 -1.761 -2.560 1.00 0.00 C ATOM 0 H ALA A 44 -6.693 0.755 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.028 -1.187 -4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.408 -2.827 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.453 -1.442 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.178 -1.571 -1.787 1.00 0.00 H new ATOM 658 N VAL A 45 -7.064 -1.643 -5.761 1.00 0.00 N ATOM 659 CA VAL A 45 -8.111 -2.188 -6.604 1.00 0.00 C ATOM 660 C VAL A 45 -9.446 -1.466 -6.369 1.00 0.00 C ATOM 661 O VAL A 45 -10.451 -2.056 -5.966 1.00 0.00 O ATOM 662 CB VAL A 45 -8.139 -3.725 -6.482 1.00 0.00 C ATOM 663 CG1 VAL A 45 -8.963 -4.326 -7.622 1.00 0.00 C ATOM 664 CG2 VAL A 45 -6.729 -4.335 -6.595 1.00 0.00 C ATOM 0 H VAL A 45 -6.227 -1.416 -6.298 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.897 -1.993 -7.655 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.568 -3.951 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.977 -5.412 -7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.983 -3.944 -7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.517 -4.051 -8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.793 -5.419 -6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.297 -4.077 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.097 -3.941 -5.799 1.00 0.00 H new ATOM 674 N LEU A 46 -9.460 -0.169 -6.690 1.00 0.00 N ATOM 675 CA LEU A 46 -10.668 0.643 -6.627 1.00 0.00 C ATOM 676 C LEU A 46 -11.523 0.295 -7.855 1.00 0.00 C ATOM 677 O LEU A 46 -10.991 -0.285 -8.800 1.00 0.00 O ATOM 678 CB LEU A 46 -10.301 2.139 -6.692 1.00 0.00 C ATOM 679 CG LEU A 46 -9.146 2.601 -5.793 1.00 0.00 C ATOM 680 CD1 LEU A 46 -8.954 4.110 -5.995 1.00 0.00 C ATOM 681 CD2 LEU A 46 -9.412 2.318 -4.315 1.00 0.00 C ATOM 0 H LEU A 46 -8.633 0.342 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.204 0.447 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.049 2.384 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.187 2.719 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.251 2.046 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.137 4.460 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.718 4.310 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.871 4.633 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.566 2.663 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.314 2.843 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.546 1.246 -4.168 1.00 0.00 H new ATOM 693 N PRO A 47 -12.813 0.667 -7.904 1.00 0.00 N ATOM 694 CA PRO A 47 -13.658 0.447 -9.075 1.00 0.00 C ATOM 695 C PRO A 47 -13.000 0.876 -10.394 1.00 0.00 C ATOM 696 O PRO A 47 -13.108 0.175 -11.396 1.00 0.00 O ATOM 697 CB PRO A 47 -14.948 1.221 -8.794 1.00 0.00 C ATOM 698 CG PRO A 47 -15.048 1.152 -7.270 1.00 0.00 C ATOM 699 CD PRO A 47 -13.588 1.276 -6.833 1.00 0.00 C ATOM 0 HA PRO A 47 -13.845 -0.617 -9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.891 2.249 -9.151 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.810 0.763 -9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -15.661 1.958 -6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -15.493 0.215 -6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.308 2.320 -6.689 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.417 0.766 -5.885 1.00 0.00 H new ATOM 748 N PHE A 51 -8.960 -4.804 -11.032 1.00 0.00 N ATOM 749 CA PHE A 51 -7.893 -5.790 -10.880 1.00 0.00 C ATOM 750 C PHE A 51 -6.716 -5.512 -11.827 1.00 0.00 C ATOM 751 O PHE A 51 -6.870 -4.790 -12.812 1.00 0.00 O ATOM 752 CB PHE A 51 -8.445 -7.229 -10.984 1.00 0.00 C ATOM 753 CG PHE A 51 -9.246 -7.649 -9.765 1.00 0.00 C ATOM 754 CD1 PHE A 51 -10.608 -7.311 -9.665 1.00 0.00 C ATOM 755 CD2 PHE A 51 -8.616 -8.324 -8.699 1.00 0.00 C ATOM 756 CE1 PHE A 51 -11.330 -7.621 -8.500 1.00 0.00 C ATOM 757 CE2 PHE A 51 -9.341 -8.638 -7.536 1.00 0.00 C ATOM 758 CZ PHE A 51 -10.693 -8.276 -7.431 1.00 0.00 C ATOM 0 HA PHE A 51 -7.483 -5.694 -9.875 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.075 -7.307 -11.870 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.614 -7.921 -11.122 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -11.100 -6.812 -10.486 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.575 -8.600 -8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.374 -7.356 -8.426 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.857 -9.158 -6.723 1.00 0.00 H new ATOM 0 HZ PHE A 51 -11.244 -8.500 -6.530 1.00 0.00 H new ATOM 768 N PRO A 52 -5.522 -6.077 -11.565 1.00 0.00 N ATOM 769 CA PRO A 52 -5.165 -6.895 -10.409 1.00 0.00 C ATOM 770 C PRO A 52 -4.210 -6.214 -9.417 1.00 0.00 C ATOM 771 O PRO A 52 -4.116 -6.658 -8.279 1.00 0.00 O ATOM 772 CB PRO A 52 -4.436 -8.082 -11.044 1.00 0.00 C ATOM 773 CG PRO A 52 -3.639 -7.422 -12.174 1.00 0.00 C ATOM 774 CD PRO A 52 -4.543 -6.268 -12.626 1.00 0.00 C ATOM 0 HA PRO A 52 -6.054 -7.133 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.785 -8.586 -10.330 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.133 -8.830 -11.423 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.672 -7.061 -11.825 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.443 -8.120 -12.988 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.963 -5.360 -12.788 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.034 -6.505 -13.570 1.00 0.00 H new ATOM 782 N SER A 53 -3.466 -5.190 -9.845 1.00 0.00 N ATOM 783 CA SER A 53 -2.361 -4.598 -9.103 1.00 0.00 C ATOM 784 C SER A 53 -2.727 -3.402 -8.200 1.00 0.00 C ATOM 785 O SER A 53 -3.826 -2.854 -8.294 1.00 0.00 O ATOM 786 CB SER A 53 -1.271 -4.315 -10.134 1.00 0.00 C ATOM 787 OG SER A 53 -1.656 -3.255 -10.987 1.00 0.00 O ATOM 0 H SER A 53 -3.625 -4.740 -10.746 1.00 0.00 H new ATOM 0 HA SER A 53 -2.005 -5.298 -8.347 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.340 -4.061 -9.627 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.079 -5.212 -10.723 1.00 0.00 H new ATOM 0 HG SER A 53 -0.945 -3.086 -11.640 1.00 0.00 H new ATOM 793 N PHE A 54 -1.788 -2.953 -7.348 1.00 0.00 N ATOM 794 CA PHE A 54 -1.982 -1.808 -6.450 1.00 0.00 C ATOM 795 C PHE A 54 -1.853 -0.514 -7.253 1.00 0.00 C ATOM 796 O PHE A 54 -1.392 -0.543 -8.393 1.00 0.00 O ATOM 797 CB PHE A 54 -0.889 -1.769 -5.362 1.00 0.00 C ATOM 798 CG PHE A 54 -0.958 -2.832 -4.283 1.00 0.00 C ATOM 799 CD1 PHE A 54 -1.986 -2.749 -3.328 1.00 0.00 C ATOM 800 CD2 PHE A 54 0.108 -3.732 -4.079 1.00 0.00 C ATOM 801 CE1 PHE A 54 -1.985 -3.594 -2.204 1.00 0.00 C ATOM 802 CE2 PHE A 54 0.130 -4.548 -2.931 1.00 0.00 C ATOM 803 CZ PHE A 54 -0.917 -4.481 -1.996 1.00 0.00 C ATOM 0 H PHE A 54 -0.866 -3.381 -7.265 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.966 -1.906 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.081 -1.846 -5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.925 -0.792 -4.879 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.782 -2.031 -3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.907 -3.796 -4.803 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.805 -3.561 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.954 -5.227 -2.769 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.900 -5.111 -1.119 1.00 0.00 H new ATOM 813 N GLU A 55 -2.249 0.628 -6.684 1.00 0.00 N ATOM 814 CA GLU A 55 -2.050 1.927 -7.307 1.00 0.00 C ATOM 815 C GLU A 55 -1.505 2.906 -6.254 1.00 0.00 C ATOM 816 O GLU A 55 -1.805 2.764 -5.072 1.00 0.00 O ATOM 817 CB GLU A 55 -3.296 2.409 -8.057 1.00 0.00 C ATOM 818 CG GLU A 55 -4.187 1.290 -8.627 1.00 0.00 C ATOM 819 CD GLU A 55 -5.125 0.680 -7.591 1.00 0.00 C ATOM 820 OE1 GLU A 55 -5.929 1.404 -7.013 1.00 0.00 O ATOM 821 OE2 GLU A 55 -5.038 -0.662 -7.366 1.00 0.00 O ATOM 0 H GLU A 55 -2.716 0.671 -5.778 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.299 1.854 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.894 3.020 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.981 3.055 -8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.778 1.690 -9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.553 0.505 -9.040 1.00 0.00 H new ATOM 829 N VAL A 56 -0.678 3.875 -6.660 1.00 0.00 N ATOM 830 CA VAL A 56 0.060 4.745 -5.750 1.00 0.00 C ATOM 831 C VAL A 56 -0.047 6.194 -6.231 1.00 0.00 C ATOM 832 O VAL A 56 0.877 6.731 -6.844 1.00 0.00 O ATOM 833 CB VAL A 56 1.516 4.235 -5.646 1.00 0.00 C ATOM 834 CG1 VAL A 56 2.341 5.078 -4.666 1.00 0.00 C ATOM 835 CG2 VAL A 56 1.561 2.776 -5.167 1.00 0.00 C ATOM 0 H VAL A 56 -0.503 4.077 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.362 4.721 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 56 1.940 4.314 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.358 4.690 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.363 6.113 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.889 5.031 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.598 2.446 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.096 2.701 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.021 2.145 -5.873 1.00 0.00 H new ATOM 845 N HIS A 57 -1.192 6.816 -5.921 1.00 0.00 N ATOM 846 CA HIS A 57 -1.550 8.211 -6.170 1.00 0.00 C ATOM 847 C HIS A 57 -1.326 8.688 -7.611 1.00 0.00 C ATOM 848 O HIS A 57 -2.290 8.884 -8.345 1.00 0.00 O ATOM 849 CB HIS A 57 -0.954 9.153 -5.106 1.00 0.00 C ATOM 850 CG HIS A 57 0.537 9.078 -4.914 1.00 0.00 C ATOM 851 ND1 HIS A 57 1.492 9.831 -5.573 1.00 0.00 N ATOM 852 CD2 HIS A 57 1.175 8.258 -4.029 1.00 0.00 C ATOM 853 CE1 HIS A 57 2.696 9.446 -5.117 1.00 0.00 C ATOM 854 NE2 HIS A 57 2.523 8.502 -4.173 1.00 0.00 N ATOM 0 H HIS A 57 -1.948 6.315 -5.454 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.634 8.256 -6.061 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.214 10.178 -5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.434 8.939 -4.151 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.315 10.548 -6.277 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.714 7.556 -3.350 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.647 9.831 -5.453 1.00 0.00 H new ATOM 863 N ASP A 58 -0.070 8.914 -8.000 1.00 0.00 N ATOM 864 CA ASP A 58 0.319 9.341 -9.339 1.00 0.00 C ATOM 865 C ASP A 58 0.776 8.151 -10.181 1.00 0.00 C ATOM 866 O ASP A 58 0.537 8.114 -11.385 1.00 0.00 O ATOM 867 CB ASP A 58 1.427 10.395 -9.260 1.00 0.00 C ATOM 868 CG ASP A 58 1.815 10.854 -10.659 1.00 0.00 C ATOM 869 OD1 ASP A 58 1.250 11.819 -11.159 1.00 0.00 O ATOM 870 OD2 ASP A 58 2.801 10.149 -11.271 1.00 0.00 O ATOM 0 H ASP A 58 0.725 8.801 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.553 9.783 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.088 11.247 -8.671 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.297 9.981 -8.750 1.00 0.00 H new ATOM 876 N LYS A 59 1.471 7.210 -9.543 1.00 0.00 N ATOM 877 CA LYS A 59 2.011 6.015 -10.162 1.00 0.00 C ATOM 878 C LYS A 59 1.237 4.808 -9.627 1.00 0.00 C ATOM 879 O LYS A 59 0.113 4.930 -9.137 1.00 0.00 O ATOM 880 CB LYS A 59 3.523 5.955 -9.872 1.00 0.00 C ATOM 881 CG LYS A 59 4.305 7.086 -10.561 1.00 0.00 C ATOM 882 CD LYS A 59 4.295 7.024 -12.091 1.00 0.00 C ATOM 883 CE LYS A 59 4.846 5.676 -12.570 1.00 0.00 C ATOM 884 NZ LYS A 59 5.229 5.737 -13.989 1.00 0.00 N ATOM 0 H LYS A 59 1.677 7.267 -8.546 1.00 0.00 H new ATOM 0 HA LYS A 59 1.895 6.019 -11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.685 6.010 -8.795 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.915 4.993 -10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.889 8.043 -10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.338 7.059 -10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.279 7.162 -12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.896 7.837 -12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.711 5.398 -11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.094 4.900 -12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.355 4.772 -14.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.482 6.218 -14.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.121 6.263 -14.086 1.00 0.00 H new ATOM 898 N LYS A 60 1.827 3.622 -9.744 1.00 0.00 N ATOM 899 CA LYS A 60 1.277 2.376 -9.261 1.00 0.00 C ATOM 900 C LYS A 60 2.436 1.581 -8.680 1.00 0.00 C ATOM 901 O LYS A 60 3.507 2.144 -8.482 1.00 0.00 O ATOM 902 CB LYS A 60 0.574 1.637 -10.420 1.00 0.00 C ATOM 903 CG LYS A 60 -0.444 2.502 -11.181 1.00 0.00 C ATOM 904 CD LYS A 60 -1.154 1.755 -12.323 1.00 0.00 C ATOM 905 CE LYS A 60 -2.395 0.951 -11.907 1.00 0.00 C ATOM 906 NZ LYS A 60 -2.067 -0.277 -11.164 1.00 0.00 N ATOM 0 H LYS A 60 2.734 3.507 -10.196 1.00 0.00 H new ATOM 0 HA LYS A 60 0.522 2.529 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.328 1.279 -11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.065 0.759 -10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.192 2.871 -10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.066 3.374 -11.590 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.448 2.480 -13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.441 1.076 -12.790 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.038 1.580 -11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.965 0.688 -12.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.873 -0.933 -11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.232 -0.728 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.864 -0.039 -10.172 1.00 0.00 H new ATOM 920 N ASN A 61 2.206 0.286 -8.457 1.00 0.00 N ATOM 921 CA ASN A 61 3.163 -0.757 -8.057 1.00 0.00 C ATOM 922 C ASN A 61 4.648 -0.363 -8.167 1.00 0.00 C ATOM 923 O ASN A 61 5.332 -0.451 -7.146 1.00 0.00 O ATOM 924 CB ASN A 61 2.859 -2.067 -8.801 1.00 0.00 C ATOM 925 CG ASN A 61 1.387 -2.412 -8.667 1.00 0.00 C ATOM 926 OD1 ASN A 61 0.965 -3.107 -7.747 1.00 0.00 O ATOM 927 ND2 ASN A 61 0.566 -1.837 -9.547 1.00 0.00 N ATOM 0 H ASN A 61 1.266 -0.097 -8.559 1.00 0.00 H new ATOM 0 HA ASN A 61 3.013 -0.902 -6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.123 -1.966 -9.854 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.468 -2.875 -8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.442 -1.969 -9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.946 -1.265 -10.301 1.00 0.00 H new ATOM 934 N PRO A 62 5.152 0.065 -9.350 1.00 0.00 N ATOM 935 CA PRO A 62 6.387 0.820 -9.507 1.00 0.00 C ATOM 936 C PRO A 62 6.960 1.456 -8.235 1.00 0.00 C ATOM 937 O PRO A 62 6.294 2.197 -7.519 1.00 0.00 O ATOM 938 CB PRO A 62 6.080 1.850 -10.587 1.00 0.00 C ATOM 939 CG PRO A 62 5.234 1.028 -11.558 1.00 0.00 C ATOM 940 CD PRO A 62 4.514 0.009 -10.666 1.00 0.00 C ATOM 0 HA PRO A 62 7.193 0.138 -9.779 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.535 2.708 -10.193 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.985 2.235 -11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.525 1.656 -12.097 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.854 0.534 -12.306 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.453 0.245 -10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.588 -0.993 -11.088 1.00 0.00 H new ATOM 948 N THR A 63 8.224 1.123 -7.991 1.00 0.00 N ATOM 949 CA THR A 63 9.058 1.424 -6.851 1.00 0.00 C ATOM 950 C THR A 63 8.808 2.756 -6.128 1.00 0.00 C ATOM 951 O THR A 63 8.554 3.785 -6.749 1.00 0.00 O ATOM 952 CB THR A 63 10.476 1.354 -7.411 1.00 0.00 C ATOM 953 OG1 THR A 63 10.663 0.087 -8.012 1.00 0.00 O ATOM 954 CG2 THR A 63 11.517 1.616 -6.341 1.00 0.00 C ATOM 0 H THR A 63 8.741 0.570 -8.675 1.00 0.00 H new ATOM 0 HA THR A 63 8.839 0.712 -6.055 1.00 0.00 H new ATOM 0 HB THR A 63 10.603 2.136 -8.160 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.570 0.029 -8.378 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.513 1.557 -6.780 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.364 2.610 -5.920 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.424 0.870 -5.552 1.00 0.00 H new ATOM 962 N LEU A 64 8.963 2.730 -4.801 1.00 0.00 N ATOM 963 CA LEU A 64 8.902 3.879 -3.913 1.00 0.00 C ATOM 964 C LEU A 64 10.294 4.104 -3.313 1.00 0.00 C ATOM 965 O LEU A 64 10.938 3.149 -2.874 1.00 0.00 O ATOM 966 CB LEU A 64 7.899 3.610 -2.781 1.00 0.00 C ATOM 967 CG LEU A 64 6.435 3.864 -3.174 1.00 0.00 C ATOM 968 CD1 LEU A 64 5.982 3.041 -4.384 1.00 0.00 C ATOM 969 CD2 LEU A 64 5.537 3.544 -1.974 1.00 0.00 C ATOM 0 H LEU A 64 9.143 1.861 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 64 8.582 4.760 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.003 2.575 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.151 4.240 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 64 6.353 4.913 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.940 3.268 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.601 3.290 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.082 1.979 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.495 3.721 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.667 2.499 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.810 4.184 -1.135 1.00 0.00 H new ATOM 981 N GLU A 65 10.756 5.357 -3.289 1.00 0.00 N ATOM 982 CA GLU A 65 11.997 5.763 -2.635 1.00 0.00 C ATOM 983 C GLU A 65 11.650 6.600 -1.401 1.00 0.00 C ATOM 984 O GLU A 65 10.719 7.405 -1.442 1.00 0.00 O ATOM 985 CB GLU A 65 12.906 6.524 -3.603 1.00 0.00 C ATOM 986 CG GLU A 65 13.112 5.719 -4.889 1.00 0.00 C ATOM 987 CD GLU A 65 14.216 6.298 -5.763 1.00 0.00 C ATOM 988 OE1 GLU A 65 15.199 5.606 -6.007 1.00 0.00 O ATOM 989 OE2 GLU A 65 14.036 7.567 -6.216 1.00 0.00 O ATOM 0 H GLU A 65 10.265 6.132 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 65 12.553 4.880 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.466 7.493 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.869 6.719 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.357 4.688 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.180 5.695 -5.453 1.00 0.00 H new ATOM 997 N ILE A 66 12.389 6.398 -0.310 1.00 0.00 N ATOM 998 CA ILE A 66 12.125 6.970 1.000 1.00 0.00 C ATOM 999 C ILE A 66 13.423 7.480 1.640 1.00 0.00 C ATOM 1000 O ILE A 66 14.458 6.820 1.518 1.00 0.00 O ATOM 1001 CB ILE A 66 11.499 5.850 1.864 1.00 0.00 C ATOM 1002 CG1 ILE A 66 10.032 5.651 1.441 1.00 0.00 C ATOM 1003 CG2 ILE A 66 11.632 6.100 3.378 1.00 0.00 C ATOM 1004 CD1 ILE A 66 9.289 4.622 2.296 1.00 0.00 C ATOM 0 H ILE A 66 13.220 5.807 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 66 11.449 7.822 0.919 1.00 0.00 H new ATOM 0 HB ILE A 66 12.059 4.932 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.511 6.607 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.002 5.336 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.172 5.277 3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.687 6.168 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.131 7.033 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.261 4.531 1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.787 3.656 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.289 4.946 3.337 1.00 0.00 H new ATOM 1016 N PRO A 67 13.383 8.625 2.345 1.00 0.00 N ATOM 1017 CA PRO A 67 14.503 9.101 3.135 1.00 0.00 C ATOM 1018 C PRO A 67 14.533 8.306 4.449 1.00 0.00 C ATOM 1019 O PRO A 67 13.532 8.213 5.161 1.00 0.00 O ATOM 1020 CB PRO A 67 14.241 10.591 3.358 1.00 0.00 C ATOM 1021 CG PRO A 67 12.717 10.681 3.363 1.00 0.00 C ATOM 1022 CD PRO A 67 12.287 9.582 2.390 1.00 0.00 C ATOM 0 HA PRO A 67 15.473 8.966 2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.668 10.938 4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.678 11.199 2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.309 10.515 4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.373 11.662 3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.367 9.104 2.725 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.090 9.994 1.400 1.00 0.00 H new ATOM 1030 N ALA A 68 15.674 7.690 4.758 1.00 0.00 N ATOM 1031 CA ALA A 68 15.850 6.859 5.939 1.00 0.00 C ATOM 1032 C ALA A 68 15.467 7.586 7.231 1.00 0.00 C ATOM 1033 O ALA A 68 15.654 8.795 7.368 1.00 0.00 O ATOM 1034 CB ALA A 68 17.289 6.343 5.997 1.00 0.00 C ATOM 0 H ALA A 68 16.513 7.758 4.182 1.00 0.00 H new ATOM 0 HA ALA A 68 15.169 6.012 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.417 5.721 6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.500 5.753 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.977 7.187 6.044 1.00 0.00 H new ATOM 1040 N GLY A 69 14.913 6.830 8.184 1.00 0.00 N ATOM 1041 CA GLY A 69 14.481 7.351 9.472 1.00 0.00 C ATOM 1042 C GLY A 69 13.149 8.101 9.397 1.00 0.00 C ATOM 1043 O GLY A 69 12.698 8.637 10.408 1.00 0.00 O ATOM 0 H GLY A 69 14.753 5.829 8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.388 6.526 10.179 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.247 8.021 9.862 1.00 0.00 H new ATOM 1047 N ALA A 70 12.506 8.154 8.226 1.00 0.00 N ATOM 1048 CA ALA A 70 11.186 8.746 8.100 1.00 0.00 C ATOM 1049 C ALA A 70 10.137 7.997 8.917 1.00 0.00 C ATOM 1050 O ALA A 70 10.290 6.815 9.217 1.00 0.00 O ATOM 1051 CB ALA A 70 10.771 8.731 6.635 1.00 0.00 C ATOM 0 H ALA A 70 12.887 7.790 7.353 1.00 0.00 H new ATOM 0 HA ALA A 70 11.243 9.765 8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.780 9.174 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.488 9.305 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.747 7.703 6.274 1.00 0.00 H new ATOM 1057 N THR A 71 9.044 8.691 9.233 1.00 0.00 N ATOM 1058 CA THR A 71 7.882 8.101 9.869 1.00 0.00 C ATOM 1059 C THR A 71 6.942 7.719 8.726 1.00 0.00 C ATOM 1060 O THR A 71 6.105 8.511 8.289 1.00 0.00 O ATOM 1061 CB THR A 71 7.290 9.091 10.879 1.00 0.00 C ATOM 1062 OG1 THR A 71 8.299 9.454 11.803 1.00 0.00 O ATOM 1063 CG2 THR A 71 6.142 8.450 11.658 1.00 0.00 C ATOM 0 H THR A 71 8.946 9.690 9.050 1.00 0.00 H new ATOM 0 HA THR A 71 8.104 7.209 10.455 1.00 0.00 H new ATOM 0 HB THR A 71 6.916 9.960 10.338 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.455 8.713 12.425 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.737 9.171 12.369 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.358 8.144 10.965 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.511 7.577 12.197 1.00 0.00 H new ATOM 1071 N VAL A 72 7.103 6.492 8.232 1.00 0.00 N ATOM 1072 CA VAL A 72 6.417 5.990 7.059 1.00 0.00 C ATOM 1073 C VAL A 72 4.993 5.632 7.460 1.00 0.00 C ATOM 1074 O VAL A 72 4.735 4.575 8.031 1.00 0.00 O ATOM 1075 CB VAL A 72 7.194 4.803 6.460 1.00 0.00 C ATOM 1076 CG1 VAL A 72 6.527 4.334 5.160 1.00 0.00 C ATOM 1077 CG2 VAL A 72 8.621 5.242 6.114 1.00 0.00 C ATOM 0 H VAL A 72 7.732 5.808 8.653 1.00 0.00 H new ATOM 0 HA VAL A 72 6.368 6.746 6.275 1.00 0.00 H new ATOM 0 HB VAL A 72 7.203 3.997 7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.086 3.494 4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.504 4.021 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.517 5.153 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.168 4.400 5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.586 6.054 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.125 5.585 7.017 1.00 0.00 H new ATOM 1087 N ASP A 73 4.077 6.558 7.183 1.00 0.00 N ATOM 1088 CA ASP A 73 2.658 6.425 7.436 1.00 0.00 C ATOM 1089 C ASP A 73 2.008 5.866 6.175 1.00 0.00 C ATOM 1090 O ASP A 73 1.665 6.614 5.256 1.00 0.00 O ATOM 1091 CB ASP A 73 2.082 7.777 7.859 1.00 0.00 C ATOM 1092 CG ASP A 73 2.583 8.164 9.240 1.00 0.00 C ATOM 1093 OD1 ASP A 73 2.047 7.663 10.226 1.00 0.00 O ATOM 1094 OD2 ASP A 73 3.618 9.049 9.288 1.00 0.00 O ATOM 0 H ASP A 73 4.320 7.454 6.760 1.00 0.00 H new ATOM 0 HA ASP A 73 2.457 5.736 8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.366 8.542 7.136 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.993 7.730 7.862 1.00 0.00 H new ATOM 1100 N VAL A 74 1.869 4.543 6.129 1.00 0.00 N ATOM 1101 CA VAL A 74 1.256 3.842 5.019 1.00 0.00 C ATOM 1102 C VAL A 74 -0.258 3.946 5.173 1.00 0.00 C ATOM 1103 O VAL A 74 -0.861 3.328 6.054 1.00 0.00 O ATOM 1104 CB VAL A 74 1.744 2.391 4.955 1.00 0.00 C ATOM 1105 CG1 VAL A 74 1.166 1.683 3.721 1.00 0.00 C ATOM 1106 CG2 VAL A 74 3.274 2.327 4.902 1.00 0.00 C ATOM 0 H VAL A 74 2.186 3.925 6.876 1.00 0.00 H new ATOM 0 HA VAL A 74 1.544 4.296 4.071 1.00 0.00 H new ATOM 0 HB VAL A 74 1.400 1.887 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.523 0.654 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.077 1.688 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.487 2.204 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.593 1.286 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.630 2.854 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.689 2.796 5.794 1.00 0.00 H new ATOM 1116 N THR A 75 -0.853 4.770 4.316 1.00 0.00 N ATOM 1117 CA THR A 75 -2.273 5.023 4.250 1.00 0.00 C ATOM 1118 C THR A 75 -2.883 4.206 3.118 1.00 0.00 C ATOM 1119 O THR A 75 -2.727 4.551 1.950 1.00 0.00 O ATOM 1120 CB THR A 75 -2.502 6.532 4.109 1.00 0.00 C ATOM 1121 OG1 THR A 75 -1.989 7.136 5.282 1.00 0.00 O ATOM 1122 CG2 THR A 75 -3.975 6.915 3.934 1.00 0.00 C ATOM 0 H THR A 75 -0.327 5.299 3.621 1.00 0.00 H new ATOM 0 HA THR A 75 -2.775 4.707 5.164 1.00 0.00 H new ATOM 0 HB THR A 75 -1.998 6.877 3.206 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.199 8.093 5.276 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.061 7.998 3.841 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.370 6.441 3.036 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.544 6.579 4.801 1.00 0.00 H new ATOM 1130 N PHE A 76 -3.571 3.116 3.463 1.00 0.00 N ATOM 1131 CA PHE A 76 -4.294 2.334 2.472 1.00 0.00 C ATOM 1132 C PHE A 76 -5.644 2.938 2.147 1.00 0.00 C ATOM 1133 O PHE A 76 -6.273 3.524 3.016 1.00 0.00 O ATOM 1134 CB PHE A 76 -4.663 0.928 2.988 1.00 0.00 C ATOM 1135 CG PHE A 76 -3.737 -0.243 2.733 1.00 0.00 C ATOM 1136 CD1 PHE A 76 -3.286 -0.417 1.409 1.00 0.00 C ATOM 1137 CD2 PHE A 76 -3.986 -1.399 3.502 1.00 0.00 C ATOM 1138 CE1 PHE A 76 -3.424 -1.660 0.773 1.00 0.00 C ATOM 1139 CE2 PHE A 76 -4.104 -2.653 2.874 1.00 0.00 C ATOM 1140 CZ PHE A 76 -3.907 -2.766 1.488 1.00 0.00 C ATOM 0 H PHE A 76 -3.640 2.760 4.417 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.618 2.307 1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.798 1.005 4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.633 0.672 2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.833 0.410 0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.086 -1.322 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.158 -1.765 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.346 -3.529 3.458 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.125 -3.693 0.979 1.00 0.00 H new ATOM 1150 N ILE A 77 -6.100 2.676 0.925 1.00 0.00 N ATOM 1151 CA ILE A 77 -7.472 2.840 0.480 1.00 0.00 C ATOM 1152 C ILE A 77 -7.720 1.537 -0.289 1.00 0.00 C ATOM 1153 O ILE A 77 -7.594 1.480 -1.514 1.00 0.00 O ATOM 1154 CB ILE A 77 -7.739 4.146 -0.297 1.00 0.00 C ATOM 1155 CG1 ILE A 77 -7.739 5.366 0.650 1.00 0.00 C ATOM 1156 CG2 ILE A 77 -9.145 4.113 -0.904 1.00 0.00 C ATOM 1157 CD1 ILE A 77 -6.437 6.159 0.536 1.00 0.00 C ATOM 0 H ILE A 77 -5.490 2.327 0.186 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.184 2.976 1.294 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.958 4.228 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.583 6.013 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.874 5.031 1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.327 5.038 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.227 3.266 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -9.883 4.011 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.469 7.011 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.596 5.517 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.316 6.515 -0.487 1.00 0.00 H new ATOM 1169 N ASN A 78 -7.984 0.457 0.460 1.00 0.00 N ATOM 1170 CA ASN A 78 -8.317 -0.848 -0.098 1.00 0.00 C ATOM 1171 C ASN A 78 -9.819 -1.023 0.005 1.00 0.00 C ATOM 1172 O ASN A 78 -10.334 -1.585 0.970 1.00 0.00 O ATOM 1173 CB ASN A 78 -7.542 -2.005 0.554 1.00 0.00 C ATOM 1174 CG ASN A 78 -7.943 -3.318 -0.123 1.00 0.00 C ATOM 1175 OD1 ASN A 78 -7.419 -3.649 -1.180 1.00 0.00 O ATOM 1176 ND2 ASN A 78 -8.884 -4.062 0.450 1.00 0.00 N ATOM 0 H ASN A 78 -7.970 0.472 1.480 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.008 -0.881 -1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.469 -1.843 0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.760 -2.050 1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.186 -4.931 0.009 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.304 -3.764 1.330 1.00 0.00 H new ATOM 1183 N THR A 79 -10.517 -0.497 -0.998 1.00 0.00 N ATOM 1184 CA THR A 79 -11.964 -0.454 -1.042 1.00 0.00 C ATOM 1185 C THR A 79 -12.466 -1.372 -2.142 1.00 0.00 C ATOM 1186 O THR A 79 -13.484 -1.098 -2.780 1.00 0.00 O ATOM 1187 CB THR A 79 -12.376 1.002 -1.246 1.00 0.00 C ATOM 1188 OG1 THR A 79 -11.843 1.498 -2.456 1.00 0.00 O ATOM 1189 CG2 THR A 79 -11.791 1.806 -0.088 1.00 0.00 C ATOM 0 H THR A 79 -10.076 -0.081 -1.818 1.00 0.00 H new ATOM 0 HA THR A 79 -12.411 -0.812 -0.114 1.00 0.00 H new ATOM 0 HB THR A 79 -13.462 1.082 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.134 2.425 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.065 2.855 -0.199 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.185 1.426 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.705 1.712 -0.092 1.00 0.00 H new ATOM 1197 N ASN A 80 -11.748 -2.473 -2.362 1.00 0.00 N ATOM 1198 CA ASN A 80 -12.126 -3.473 -3.336 1.00 0.00 C ATOM 1199 C ASN A 80 -13.210 -4.340 -2.707 1.00 0.00 C ATOM 1200 O ASN A 80 -12.961 -5.481 -2.325 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.889 -4.278 -3.732 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.209 -5.154 -4.932 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -11.014 -6.364 -4.899 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -11.700 -4.547 -6.003 1.00 0.00 N ATOM 0 H ASN A 80 -10.885 -2.689 -1.863 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.523 -3.027 -4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.066 -3.604 -3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.562 -4.896 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.929 -5.089 -6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.849 -3.538 -5.994 1.00 0.00 H new ATOM 1211 N LYS A 81 -14.392 -3.738 -2.557 1.00 0.00 N ATOM 1212 CA LYS A 81 -15.563 -4.258 -1.859 1.00 0.00 C ATOM 1213 C LYS A 81 -15.690 -5.784 -1.982 1.00 0.00 C ATOM 1214 O LYS A 81 -16.082 -6.295 -3.027 1.00 0.00 O ATOM 1215 CB LYS A 81 -16.821 -3.522 -2.343 1.00 0.00 C ATOM 1216 CG LYS A 81 -16.827 -2.082 -1.808 1.00 0.00 C ATOM 1217 CD LYS A 81 -18.061 -1.302 -2.280 1.00 0.00 C ATOM 1218 CE LYS A 81 -18.151 0.062 -1.580 1.00 0.00 C ATOM 1219 NZ LYS A 81 -17.027 0.953 -1.924 1.00 0.00 N ATOM 0 H LYS A 81 -14.565 -2.812 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.442 -4.066 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -16.851 -3.514 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -17.713 -4.048 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.803 -2.099 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.924 -1.568 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -18.014 -1.158 -3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -18.962 -1.880 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -19.089 0.545 -1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -18.173 -0.089 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.486 1.176 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.406 0.479 -2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.396 1.832 -2.339 1.00 0.00 H new ATOM 1233 N GLY A 82 -15.335 -6.495 -0.904 1.00 0.00 N ATOM 1234 CA GLY A 82 -15.322 -7.949 -0.824 1.00 0.00 C ATOM 1235 C GLY A 82 -13.942 -8.471 -0.415 1.00 0.00 C ATOM 1236 O GLY A 82 -13.828 -9.322 0.463 1.00 0.00 O ATOM 0 H GLY A 82 -15.039 -6.050 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.068 -8.282 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.601 -8.371 -1.789 1.00 0.00 H new ATOM 1240 N PHE A 83 -12.889 -7.946 -1.040 1.00 0.00 N ATOM 1241 CA PHE A 83 -11.520 -8.414 -0.883 1.00 0.00 C ATOM 1242 C PHE A 83 -10.737 -7.565 0.122 1.00 0.00 C ATOM 1243 O PHE A 83 -10.308 -6.453 -0.184 1.00 0.00 O ATOM 1244 CB PHE A 83 -10.830 -8.396 -2.249 1.00 0.00 C ATOM 1245 CG PHE A 83 -11.452 -9.320 -3.280 1.00 0.00 C ATOM 1246 CD1 PHE A 83 -12.572 -8.898 -4.022 1.00 0.00 C ATOM 1247 CD2 PHE A 83 -10.927 -10.612 -3.481 1.00 0.00 C ATOM 1248 CE1 PHE A 83 -13.164 -9.761 -4.960 1.00 0.00 C ATOM 1249 CE2 PHE A 83 -11.507 -11.466 -4.435 1.00 0.00 C ATOM 1250 CZ PHE A 83 -12.624 -11.040 -5.175 1.00 0.00 C ATOM 0 H PHE A 83 -12.971 -7.162 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 83 -11.545 -9.430 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.845 -7.377 -2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -9.784 -8.671 -2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -12.977 -7.908 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.079 -10.946 -2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.033 -9.441 -5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.094 -12.450 -4.600 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.067 -11.696 -5.909 1.00 0.00 H new ATOM 1260 N GLY A 84 -10.471 -8.122 1.304 1.00 0.00 N ATOM 1261 CA GLY A 84 -9.639 -7.489 2.321 1.00 0.00 C ATOM 1262 C GLY A 84 -8.179 -7.258 1.896 1.00 0.00 C ATOM 1263 O GLY A 84 -7.473 -6.498 2.560 1.00 0.00 O ATOM 0 H GLY A 84 -10.832 -9.034 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.082 -6.530 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.650 -8.108 3.218 1.00 0.00 H new ATOM 1267 N HIS A 85 -7.729 -7.932 0.825 1.00 0.00 N ATOM 1268 CA HIS A 85 -6.412 -7.902 0.205 1.00 0.00 C ATOM 1269 C HIS A 85 -5.212 -8.009 1.148 1.00 0.00 C ATOM 1270 O HIS A 85 -4.550 -9.042 1.131 1.00 0.00 O ATOM 1271 CB HIS A 85 -6.285 -6.714 -0.745 1.00 0.00 C ATOM 1272 CG HIS A 85 -6.960 -6.912 -2.081 1.00 0.00 C ATOM 1273 ND1 HIS A 85 -6.480 -7.666 -3.157 1.00 0.00 N ATOM 1274 CD2 HIS A 85 -8.138 -6.332 -2.452 1.00 0.00 C ATOM 1275 CE1 HIS A 85 -7.384 -7.526 -4.134 1.00 0.00 C ATOM 1276 NE2 HIS A 85 -8.401 -6.752 -3.733 1.00 0.00 N ATOM 0 H HIS A 85 -8.348 -8.573 0.329 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.362 -8.831 -0.362 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -6.709 -5.832 -0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.228 -6.509 -0.912 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -8.746 -5.670 -1.854 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.304 -7.976 -5.113 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -9.227 -6.516 -4.283 1.00 0.00 H new ATOM 1284 N SER A 86 -4.928 -6.952 1.911 1.00 0.00 N ATOM 1285 CA SER A 86 -3.776 -6.723 2.782 1.00 0.00 C ATOM 1286 C SER A 86 -2.612 -6.070 2.029 1.00 0.00 C ATOM 1287 O SER A 86 -2.511 -6.171 0.806 1.00 0.00 O ATOM 1288 CB SER A 86 -3.296 -7.964 3.560 1.00 0.00 C ATOM 1289 OG SER A 86 -2.540 -8.863 2.773 1.00 0.00 O ATOM 0 H SER A 86 -5.564 -6.155 1.936 1.00 0.00 H new ATOM 0 HA SER A 86 -4.143 -6.028 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.693 -7.641 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.162 -8.487 3.965 1.00 0.00 H new ATOM 0 HG SER A 86 -3.070 -9.146 1.999 1.00 0.00 H new ATOM 1295 N PHE A 87 -1.750 -5.383 2.784 1.00 0.00 N ATOM 1296 CA PHE A 87 -0.483 -4.815 2.360 1.00 0.00 C ATOM 1297 C PHE A 87 0.517 -5.412 3.344 1.00 0.00 C ATOM 1298 O PHE A 87 0.235 -5.425 4.545 1.00 0.00 O ATOM 1299 CB PHE A 87 -0.508 -3.290 2.505 1.00 0.00 C ATOM 1300 CG PHE A 87 0.543 -2.551 1.701 1.00 0.00 C ATOM 1301 CD1 PHE A 87 0.250 -2.145 0.386 1.00 0.00 C ATOM 1302 CD2 PHE A 87 1.761 -2.171 2.292 1.00 0.00 C ATOM 1303 CE1 PHE A 87 1.152 -1.338 -0.327 1.00 0.00 C ATOM 1304 CE2 PHE A 87 2.652 -1.339 1.589 1.00 0.00 C ATOM 1305 CZ PHE A 87 2.344 -0.915 0.285 1.00 0.00 C ATOM 0 H PHE A 87 -1.938 -5.201 3.770 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.248 -5.030 1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.492 -2.928 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.381 -3.038 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.674 -2.456 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.012 -2.517 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.930 -1.044 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.575 -1.025 2.053 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.023 -0.265 -0.246 1.00 0.00 H new ATOM 1315 N ASP A 88 1.637 -5.954 2.870 1.00 0.00 N ATOM 1316 CA ASP A 88 2.593 -6.668 3.704 1.00 0.00 C ATOM 1317 C ASP A 88 3.998 -6.281 3.270 1.00 0.00 C ATOM 1318 O ASP A 88 4.364 -6.559 2.130 1.00 0.00 O ATOM 1319 CB ASP A 88 2.375 -8.175 3.539 1.00 0.00 C ATOM 1320 CG ASP A 88 0.944 -8.576 3.841 1.00 0.00 C ATOM 1321 OD1 ASP A 88 0.607 -8.784 5.003 1.00 0.00 O ATOM 1322 OD2 ASP A 88 0.116 -8.703 2.773 1.00 0.00 O ATOM 0 H ASP A 88 1.906 -5.908 1.887 1.00 0.00 H new ATOM 0 HA ASP A 88 2.457 -6.408 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.627 -8.469 2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.051 -8.714 4.203 1.00 0.00 H new ATOM 1328 N ILE A 89 4.764 -5.640 4.155 1.00 0.00 N ATOM 1329 CA ILE A 89 6.120 -5.181 3.893 1.00 0.00 C ATOM 1330 C ILE A 89 7.116 -6.207 4.432 1.00 0.00 C ATOM 1331 O ILE A 89 7.073 -6.575 5.607 1.00 0.00 O ATOM 1332 CB ILE A 89 6.362 -3.777 4.480 1.00 0.00 C ATOM 1333 CG1 ILE A 89 5.310 -2.791 3.938 1.00 0.00 C ATOM 1334 CG2 ILE A 89 7.784 -3.338 4.107 1.00 0.00 C ATOM 1335 CD1 ILE A 89 5.522 -1.346 4.403 1.00 0.00 C ATOM 0 H ILE A 89 4.445 -5.422 5.099 1.00 0.00 H new ATOM 0 HA ILE A 89 6.265 -5.092 2.816 1.00 0.00 H new ATOM 0 HB ILE A 89 6.265 -3.794 5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.326 -2.819 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.320 -3.122 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 89 7.977 -2.345 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.503 -4.045 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.884 -3.312 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.743 -0.710 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.476 -1.303 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.498 -0.995 4.067 1.00 0.00 H new ATOM 1347 N THR A 90 8.020 -6.662 3.565 1.00 0.00 N ATOM 1348 CA THR A 90 9.087 -7.590 3.898 1.00 0.00 C ATOM 1349 C THR A 90 10.160 -7.470 2.816 1.00 0.00 C ATOM 1350 O THR A 90 10.418 -6.360 2.361 1.00 0.00 O ATOM 1351 CB THR A 90 8.505 -8.997 4.104 1.00 0.00 C ATOM 1352 OG1 THR A 90 9.527 -9.932 4.398 1.00 0.00 O ATOM 1353 CG2 THR A 90 7.693 -9.507 2.906 1.00 0.00 C ATOM 0 H THR A 90 8.026 -6.383 2.584 1.00 0.00 H new ATOM 0 HA THR A 90 9.572 -7.356 4.846 1.00 0.00 H new ATOM 0 HB THR A 90 7.822 -8.905 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.497 -10.160 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.313 -10.505 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.857 -8.833 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.332 -9.545 2.023 1.00 0.00 H new ATOM 1361 N LYS A 91 10.791 -8.570 2.402 1.00 0.00 N ATOM 1362 CA LYS A 91 11.805 -8.562 1.355 1.00 0.00 C ATOM 1363 C LYS A 91 11.407 -9.510 0.217 1.00 0.00 C ATOM 1364 O LYS A 91 10.465 -9.212 -0.517 1.00 0.00 O ATOM 1365 CB LYS A 91 13.184 -8.852 1.975 1.00 0.00 C ATOM 1366 CG LYS A 91 13.590 -7.735 2.948 1.00 0.00 C ATOM 1367 CD LYS A 91 15.001 -7.929 3.525 1.00 0.00 C ATOM 1368 CE LYS A 91 15.165 -9.215 4.348 1.00 0.00 C ATOM 1369 NZ LYS A 91 14.169 -9.310 5.431 1.00 0.00 N ATOM 0 H LYS A 91 10.609 -9.496 2.789 1.00 0.00 H new ATOM 0 HA LYS A 91 11.877 -7.576 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.158 -9.807 2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.931 -8.943 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.542 -6.776 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.871 -7.693 3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.720 -7.940 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.247 -7.073 4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.070 -10.080 3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.168 -9.247 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.388 -10.129 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.195 -8.442 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.220 -9.425 5.021 1.00 0.00 H new ATOM 1383 N LYS A 92 12.123 -10.629 0.053 1.00 0.00 N ATOM 1384 CA LYS A 92 11.980 -11.597 -1.034 1.00 0.00 C ATOM 1385 C LYS A 92 12.358 -11.005 -2.397 1.00 0.00 C ATOM 1386 O LYS A 92 13.337 -11.429 -3.005 1.00 0.00 O ATOM 1387 CB LYS A 92 10.578 -12.227 -1.082 1.00 0.00 C ATOM 1388 CG LYS A 92 10.215 -12.959 0.214 1.00 0.00 C ATOM 1389 CD LYS A 92 8.903 -13.737 0.043 1.00 0.00 C ATOM 1390 CE LYS A 92 7.665 -12.833 0.069 1.00 0.00 C ATOM 1391 NZ LYS A 92 6.443 -13.614 -0.189 1.00 0.00 N ATOM 0 H LYS A 92 12.855 -10.895 0.711 1.00 0.00 H new ATOM 0 HA LYS A 92 12.689 -12.395 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.840 -11.448 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.527 -12.927 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.017 -13.644 0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.116 -12.241 1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.930 -14.281 -0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.821 -14.480 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.589 -12.340 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.766 -12.048 -0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.610 -13.059 0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.381 -13.837 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.474 -14.498 0.359 1.00 0.00 H new ATOM 1405 N GLY A 93 11.585 -10.025 -2.866 1.00 0.00 N ATOM 1406 CA GLY A 93 11.723 -9.456 -4.196 1.00 0.00 C ATOM 1407 C GLY A 93 10.979 -10.318 -5.223 1.00 0.00 C ATOM 1408 O GLY A 93 10.622 -11.460 -4.931 1.00 0.00 O ATOM 0 H GLY A 93 10.835 -9.601 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.326 -8.441 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.778 -9.389 -4.463 1.00 0.00 H new ATOM 1412 N PRO A 94 10.696 -9.775 -6.416 1.00 0.00 N ATOM 1413 CA PRO A 94 10.052 -10.518 -7.486 1.00 0.00 C ATOM 1414 C PRO A 94 11.036 -11.541 -8.075 1.00 0.00 C ATOM 1415 O PRO A 94 12.248 -11.351 -7.960 1.00 0.00 O ATOM 1416 CB PRO A 94 9.663 -9.458 -8.522 1.00 0.00 C ATOM 1417 CG PRO A 94 10.736 -8.384 -8.338 1.00 0.00 C ATOM 1418 CD PRO A 94 11.002 -8.419 -6.832 1.00 0.00 C ATOM 0 HA PRO A 94 9.182 -11.081 -7.147 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.667 -9.863 -9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.663 -9.064 -8.340 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.635 -8.609 -8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.387 -7.404 -8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 94 12.039 -8.165 -6.611 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.377 -7.697 -6.306 1.00 0.00 H new ATOM 1426 N PRO A 95 10.555 -12.598 -8.749 1.00 0.00 N ATOM 1427 CA PRO A 95 9.154 -12.944 -8.937 1.00 0.00 C ATOM 1428 C PRO A 95 8.589 -13.578 -7.661 1.00 0.00 C ATOM 1429 O PRO A 95 9.201 -14.473 -7.084 1.00 0.00 O ATOM 1430 CB PRO A 95 9.147 -13.941 -10.100 1.00 0.00 C ATOM 1431 CG PRO A 95 10.497 -14.649 -9.963 1.00 0.00 C ATOM 1432 CD PRO A 95 11.416 -13.545 -9.440 1.00 0.00 C ATOM 0 HA PRO A 95 8.533 -12.074 -9.150 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.316 -14.642 -10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.053 -13.437 -11.062 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.443 -15.490 -9.271 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.844 -15.044 -10.918 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.169 -13.952 -8.765 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.949 -13.062 -10.258 1.00 0.00 H new ATOM 1440 N TYR A 96 7.417 -13.118 -7.218 1.00 0.00 N ATOM 1441 CA TYR A 96 6.765 -13.681 -6.047 1.00 0.00 C ATOM 1442 C TYR A 96 6.051 -14.974 -6.428 1.00 0.00 C ATOM 1443 O TYR A 96 5.632 -15.157 -7.570 1.00 0.00 O ATOM 1444 CB TYR A 96 5.795 -12.671 -5.440 1.00 0.00 C ATOM 1445 CG TYR A 96 6.470 -11.382 -5.024 1.00 0.00 C ATOM 1446 CD1 TYR A 96 7.199 -11.340 -3.821 1.00 0.00 C ATOM 1447 CD2 TYR A 96 6.503 -10.284 -5.902 1.00 0.00 C ATOM 1448 CE1 TYR A 96 7.923 -10.186 -3.477 1.00 0.00 C ATOM 1449 CE2 TYR A 96 7.283 -9.162 -5.587 1.00 0.00 C ATOM 1450 CZ TYR A 96 7.968 -9.102 -4.366 1.00 0.00 C ATOM 1451 OH TYR A 96 8.723 -8.011 -4.073 1.00 0.00 O ATOM 0 H TYR A 96 6.903 -12.355 -7.658 1.00 0.00 H new ATOM 0 HA TYR A 96 7.517 -13.912 -5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.011 -12.448 -6.164 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.310 -13.117 -4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.202 -12.195 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.929 -10.305 -6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.443 -10.134 -2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.356 -8.343 -6.287 1.00 0.00 H new ATOM 0 HH TYR A 96 8.642 -7.354 -4.795 1.00 0.00 H new ATOM 1461 N ALA A 97 5.917 -15.875 -5.457 1.00 0.00 N ATOM 1462 CA ALA A 97 5.278 -17.163 -5.661 1.00 0.00 C ATOM 1463 C ALA A 97 3.759 -17.017 -5.599 1.00 0.00 C ATOM 1464 O ALA A 97 3.235 -16.134 -4.922 1.00 0.00 O ATOM 1465 CB ALA A 97 5.784 -18.156 -4.611 1.00 0.00 C ATOM 0 H ALA A 97 6.251 -15.727 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 97 5.534 -17.544 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.305 -19.123 -4.764 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.864 -18.267 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.544 -17.786 -3.614 1.00 0.00 H new ATOM 1471 N VAL A 98 3.051 -17.900 -6.310 1.00 0.00 N ATOM 1472 CA VAL A 98 1.597 -17.960 -6.272 1.00 0.00 C ATOM 1473 C VAL A 98 1.144 -18.280 -4.845 1.00 0.00 C ATOM 1474 O VAL A 98 0.205 -17.668 -4.338 1.00 0.00 O ATOM 1475 CB VAL A 98 1.088 -18.982 -7.303 1.00 0.00 C ATOM 1476 CG1 VAL A 98 -0.434 -19.167 -7.216 1.00 0.00 C ATOM 1477 CG2 VAL A 98 1.448 -18.529 -8.726 1.00 0.00 C ATOM 0 H VAL A 98 3.476 -18.592 -6.927 1.00 0.00 H new ATOM 0 HA VAL A 98 1.166 -16.997 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 98 1.571 -19.933 -7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.755 -19.896 -7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.701 -19.522 -6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.928 -18.214 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.082 -19.262 -9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.988 -17.562 -8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.531 -18.442 -8.817 1.00 0.00 H new ATOM 1487 N MET A 99 1.838 -19.210 -4.184 1.00 0.00 N ATOM 1488 CA MET A 99 1.577 -19.513 -2.787 1.00 0.00 C ATOM 1489 C MET A 99 2.234 -18.398 -1.965 1.00 0.00 C ATOM 1490 O MET A 99 3.410 -18.104 -2.184 1.00 0.00 O ATOM 1491 CB MET A 99 2.166 -20.886 -2.429 1.00 0.00 C ATOM 1492 CG MET A 99 1.481 -22.028 -3.190 1.00 0.00 C ATOM 1493 SD MET A 99 -0.312 -22.209 -2.966 1.00 0.00 S ATOM 1494 CE MET A 99 -0.407 -22.577 -1.200 1.00 0.00 C ATOM 0 H MET A 99 2.586 -19.764 -4.601 1.00 0.00 H new ATOM 0 HA MET A 99 0.508 -19.558 -2.580 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.233 -20.891 -2.653 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.065 -21.054 -1.357 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.678 -21.892 -4.253 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.955 -22.964 -2.895 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.442 -22.784 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.209 -23.448 -0.976 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.046 -21.721 -0.630 1.00 0.00 H new ATOM 1504 N PRO A 100 1.507 -17.759 -1.036 1.00 0.00 N ATOM 1505 CA PRO A 100 2.013 -16.614 -0.305 1.00 0.00 C ATOM 1506 C PRO A 100 2.985 -17.065 0.785 1.00 0.00 C ATOM 1507 O PRO A 100 2.676 -17.032 1.975 1.00 0.00 O ATOM 1508 CB PRO A 100 0.767 -15.919 0.242 1.00 0.00 C ATOM 1509 CG PRO A 100 -0.200 -17.077 0.477 1.00 0.00 C ATOM 1510 CD PRO A 100 0.125 -18.027 -0.677 1.00 0.00 C ATOM 0 HA PRO A 100 2.590 -15.926 -0.924 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.979 -15.378 1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.365 -15.195 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.039 -17.548 1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.239 -16.748 0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.006 -19.066 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.539 -17.854 -1.524 1.00 0.00 H new ATOM 1518 N VAL A 101 4.201 -17.433 0.376 1.00 0.00 N ATOM 1519 CA VAL A 101 5.262 -17.791 1.303 1.00 0.00 C ATOM 1520 C VAL A 101 5.805 -16.474 1.858 1.00 0.00 C ATOM 1521 O VAL A 101 6.846 -15.969 1.440 1.00 0.00 O ATOM 1522 CB VAL A 101 6.334 -18.640 0.590 1.00 0.00 C ATOM 1523 CG1 VAL A 101 7.434 -19.076 1.570 1.00 0.00 C ATOM 1524 CG2 VAL A 101 5.715 -19.905 -0.019 1.00 0.00 C ATOM 0 H VAL A 101 4.472 -17.489 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 101 4.905 -18.412 2.124 1.00 0.00 H new ATOM 0 HB VAL A 101 6.761 -18.017 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.177 -19.673 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.913 -18.194 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.994 -19.671 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.491 -20.487 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.262 -20.505 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.952 -19.624 -0.745 1.00 0.00 H new ATOM 1534 N ILE A 102 5.057 -15.882 2.790 1.00 0.00 N ATOM 1535 CA ILE A 102 5.400 -14.591 3.350 1.00 0.00 C ATOM 1536 C ILE A 102 6.515 -14.754 4.380 1.00 0.00 C ATOM 1537 O ILE A 102 6.287 -14.949 5.572 1.00 0.00 O ATOM 1538 CB ILE A 102 4.192 -13.864 3.950 1.00 0.00 C ATOM 1539 CG1 ILE A 102 3.286 -14.772 4.803 1.00 0.00 C ATOM 1540 CG2 ILE A 102 3.374 -13.140 2.868 1.00 0.00 C ATOM 1541 CD1 ILE A 102 2.587 -13.976 5.908 1.00 0.00 C ATOM 0 H ILE A 102 4.202 -16.288 3.171 1.00 0.00 H new ATOM 0 HA ILE A 102 5.754 -13.962 2.533 1.00 0.00 H new ATOM 0 HB ILE A 102 4.608 -13.120 4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.540 -15.247 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.881 -15.570 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.525 -12.636 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 102 4.004 -12.405 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.012 -13.865 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.955 -14.644 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.335 -13.522 6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.973 -13.194 5.461 1.00 0.00 H new ATOM 1553 N ASP A 103 7.744 -14.662 3.879 1.00 0.00 N ATOM 1554 CA ASP A 103 8.938 -14.616 4.715 1.00 0.00 C ATOM 1555 C ASP A 103 8.761 -13.445 5.694 1.00 0.00 C ATOM 1556 O ASP A 103 8.122 -12.464 5.314 1.00 0.00 O ATOM 1557 CB ASP A 103 10.194 -14.432 3.852 1.00 0.00 C ATOM 1558 CG ASP A 103 10.639 -15.734 3.205 1.00 0.00 C ATOM 1559 OD1 ASP A 103 10.654 -15.835 1.984 1.00 0.00 O ATOM 1560 OD2 ASP A 103 11.017 -16.721 4.057 1.00 0.00 O ATOM 0 H ASP A 103 7.939 -14.617 2.879 1.00 0.00 H new ATOM 0 HA ASP A 103 9.065 -15.550 5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.996 -13.692 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.003 -14.039 4.468 1.00 0.00 H new ATOM 1566 N PRO A 104 9.286 -13.554 6.930 1.00 0.00 N ATOM 1567 CA PRO A 104 8.988 -12.684 8.059 1.00 0.00 C ATOM 1568 C PRO A 104 8.522 -11.272 7.701 1.00 0.00 C ATOM 1569 O PRO A 104 9.261 -10.495 7.096 1.00 0.00 O ATOM 1570 CB PRO A 104 10.255 -12.710 8.908 1.00 0.00 C ATOM 1571 CG PRO A 104 10.659 -14.181 8.785 1.00 0.00 C ATOM 1572 CD PRO A 104 10.262 -14.551 7.351 1.00 0.00 C ATOM 0 HA PRO A 104 8.116 -13.052 8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.023 -12.038 8.524 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.065 -12.420 9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.727 -14.318 8.952 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.140 -14.801 9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.131 -14.547 6.693 1.00 0.00 H new ATOM 0 HD3 PRO A 104 9.836 -15.554 7.311 1.00 0.00 H new ATOM 1580 N ILE A 105 7.279 -10.954 8.072 1.00 0.00 N ATOM 1581 CA ILE A 105 6.669 -9.672 7.776 1.00 0.00 C ATOM 1582 C ILE A 105 7.205 -8.646 8.763 1.00 0.00 C ATOM 1583 O ILE A 105 7.233 -8.901 9.965 1.00 0.00 O ATOM 1584 CB ILE A 105 5.135 -9.784 7.831 1.00 0.00 C ATOM 1585 CG1 ILE A 105 4.586 -10.705 6.726 1.00 0.00 C ATOM 1586 CG2 ILE A 105 4.460 -8.407 7.746 1.00 0.00 C ATOM 1587 CD1 ILE A 105 5.027 -10.306 5.314 1.00 0.00 C ATOM 0 H ILE A 105 6.671 -11.589 8.589 1.00 0.00 H new ATOM 0 HA ILE A 105 6.923 -9.351 6.766 1.00 0.00 H new ATOM 0 HB ILE A 105 4.895 -10.227 8.797 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.910 -11.727 6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.497 -10.702 6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.378 -8.529 7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.788 -7.789 8.582 1.00 0.00 H new ATOM 0 HG23 ILE A 105 4.734 -7.925 6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.601 -11.001 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.679 -9.296 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.115 -10.337 5.250 1.00 0.00 H new ATOM 1599 N VAL A 106 7.639 -7.496 8.246 1.00 0.00 N ATOM 1600 CA VAL A 106 8.061 -6.386 9.075 1.00 0.00 C ATOM 1601 C VAL A 106 6.774 -5.667 9.475 1.00 0.00 C ATOM 1602 O VAL A 106 6.226 -5.918 10.545 1.00 0.00 O ATOM 1603 CB VAL A 106 9.079 -5.517 8.307 1.00 0.00 C ATOM 1604 CG1 VAL A 106 9.518 -4.307 9.144 1.00 0.00 C ATOM 1605 CG2 VAL A 106 10.323 -6.343 7.952 1.00 0.00 C ATOM 0 H VAL A 106 7.705 -7.316 7.244 1.00 0.00 H new ATOM 0 HA VAL A 106 8.591 -6.685 9.979 1.00 0.00 H new ATOM 0 HB VAL A 106 8.590 -5.166 7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.235 -3.713 8.577 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.648 -3.695 9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.983 -4.653 10.067 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.033 -5.718 7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.788 -6.712 8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 106 10.033 -7.187 7.327 1.00 0.00 H new ATOM 1615 N ALA A 107 6.306 -4.750 8.628 1.00 0.00 N ATOM 1616 CA ALA A 107 5.011 -4.104 8.793 1.00 0.00 C ATOM 1617 C ALA A 107 3.989 -4.851 7.941 1.00 0.00 C ATOM 1618 O ALA A 107 4.354 -5.356 6.883 1.00 0.00 O ATOM 1619 CB ALA A 107 5.106 -2.626 8.422 1.00 0.00 C ATOM 0 H ALA A 107 6.820 -4.435 7.805 1.00 0.00 H new ATOM 0 HA ALA A 107 4.691 -4.144 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 107 4.131 -2.155 8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.834 -2.135 9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.421 -2.531 7.383 1.00 0.00 H new ATOM 1625 N GLY A 108 2.717 -4.902 8.332 1.00 0.00 N ATOM 1626 CA GLY A 108 1.703 -5.501 7.483 1.00 0.00 C ATOM 1627 C GLY A 108 0.317 -5.215 8.035 1.00 0.00 C ATOM 1628 O GLY A 108 0.195 -4.776 9.181 1.00 0.00 O ATOM 0 H GLY A 108 2.372 -4.539 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.787 -5.106 6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.862 -6.578 7.420 1.00 0.00 H new ATOM 1632 N THR A 109 -0.716 -5.445 7.217 1.00 0.00 N ATOM 1633 CA THR A 109 -2.089 -5.113 7.560 1.00 0.00 C ATOM 1634 C THR A 109 -2.983 -6.353 7.587 1.00 0.00 C ATOM 1635 O THR A 109 -3.108 -7.024 6.563 1.00 0.00 O ATOM 1636 CB THR A 109 -2.614 -4.073 6.561 1.00 0.00 C ATOM 1637 OG1 THR A 109 -2.767 -4.659 5.283 1.00 0.00 O ATOM 1638 CG2 THR A 109 -1.683 -2.869 6.425 1.00 0.00 C ATOM 0 H THR A 109 -0.615 -5.869 6.295 1.00 0.00 H new ATOM 0 HA THR A 109 -2.110 -4.694 8.566 1.00 0.00 H new ATOM 0 HB THR A 109 -3.572 -3.727 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.827 -5.633 5.375 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.102 -2.165 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.577 -2.380 7.393 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.705 -3.203 6.078 1.00 0.00 H new ATOM 1646 N GLY A 110 -3.658 -6.639 8.702 1.00 0.00 N ATOM 1647 CA GLY A 110 -4.450 -7.853 8.849 1.00 0.00 C ATOM 1648 C GLY A 110 -5.812 -7.789 8.143 1.00 0.00 C ATOM 1649 O GLY A 110 -6.830 -7.995 8.793 1.00 0.00 O ATOM 0 H GLY A 110 -3.669 -6.035 9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.884 -8.696 8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -4.609 -8.047 9.910 1.00 0.00 H new ATOM 1653 N PHE A 111 -5.810 -7.550 6.824 1.00 0.00 N ATOM 1654 CA PHE A 111 -6.963 -7.554 5.916 1.00 0.00 C ATOM 1655 C PHE A 111 -7.988 -6.447 6.213 1.00 0.00 C ATOM 1656 O PHE A 111 -8.494 -6.329 7.325 1.00 0.00 O ATOM 1657 CB PHE A 111 -7.596 -8.950 5.860 1.00 0.00 C ATOM 1658 CG PHE A 111 -6.612 -10.027 5.434 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -6.283 -10.183 4.074 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -5.925 -10.776 6.407 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -5.254 -11.063 3.693 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -4.894 -11.653 6.026 1.00 0.00 C ATOM 1663 CZ PHE A 111 -4.556 -11.793 4.670 1.00 0.00 C ATOM 0 H PHE A 111 -4.943 -7.334 6.331 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.586 -7.314 4.922 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.999 -9.201 6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.435 -8.936 5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.822 -9.626 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -6.190 -10.677 7.449 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.000 -11.178 2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.362 -12.219 6.776 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.760 -12.462 4.378 1.00 0.00 H new ATOM 1673 N SER A 112 -8.313 -5.613 5.218 1.00 0.00 N ATOM 1674 CA SER A 112 -9.171 -4.458 5.460 1.00 0.00 C ATOM 1675 C SER A 112 -10.640 -4.850 5.652 1.00 0.00 C ATOM 1676 O SER A 112 -11.146 -5.628 4.840 1.00 0.00 O ATOM 1677 CB SER A 112 -9.059 -3.479 4.286 1.00 0.00 C ATOM 1678 OG SER A 112 -9.525 -4.095 3.105 1.00 0.00 O ATOM 0 H SER A 112 -7.998 -5.717 4.253 1.00 0.00 H new ATOM 0 HA SER A 112 -8.830 -3.990 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 112 -9.641 -2.581 4.493 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.023 -3.166 4.159 1.00 0.00 H new ATOM 0 HG SER A 112 -10.442 -3.801 2.923 1.00 0.00 H new ATOM 1684 N PRO A 113 -11.356 -4.276 6.636 1.00 0.00 N ATOM 1685 CA PRO A 113 -12.786 -4.473 6.770 1.00 0.00 C ATOM 1686 C PRO A 113 -13.455 -3.704 5.626 1.00 0.00 C ATOM 1687 O PRO A 113 -13.815 -2.536 5.769 1.00 0.00 O ATOM 1688 CB PRO A 113 -13.146 -3.924 8.154 1.00 0.00 C ATOM 1689 CG PRO A 113 -12.101 -2.835 8.388 1.00 0.00 C ATOM 1690 CD PRO A 113 -10.864 -3.368 7.659 1.00 0.00 C ATOM 0 HA PRO A 113 -13.114 -5.510 6.703 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -14.158 -3.520 8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -13.096 -4.699 8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -12.423 -1.875 7.984 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.908 -2.685 9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.293 -2.553 7.214 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -10.197 -3.884 8.350 1.00 0.00 H new ATOM 1698 N VAL A 114 -13.544 -4.356 4.464 1.00 0.00 N ATOM 1699 CA VAL A 114 -14.036 -3.774 3.223 1.00 0.00 C ATOM 1700 C VAL A 114 -15.323 -2.953 3.417 1.00 0.00 C ATOM 1701 O VAL A 114 -16.211 -3.356 4.168 1.00 0.00 O ATOM 1702 CB VAL A 114 -14.196 -4.851 2.136 1.00 0.00 C ATOM 1703 CG1 VAL A 114 -12.850 -5.116 1.458 1.00 0.00 C ATOM 1704 CG2 VAL A 114 -14.772 -6.169 2.677 1.00 0.00 C ATOM 0 H VAL A 114 -13.266 -5.332 4.363 1.00 0.00 H new ATOM 0 HA VAL A 114 -13.281 -3.065 2.883 1.00 0.00 H new ATOM 0 HB VAL A 114 -14.912 -4.462 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -12.973 -5.880 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -12.486 -4.196 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -12.130 -5.461 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -14.861 -6.888 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.108 -6.569 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.756 -5.986 3.109 1.00 0.00 H new ATOM 1714 N PRO A 115 -15.424 -1.794 2.744 1.00 0.00 N ATOM 1715 CA PRO A 115 -16.511 -0.847 2.930 1.00 0.00 C ATOM 1716 C PRO A 115 -17.822 -1.281 2.274 1.00 0.00 C ATOM 1717 O PRO A 115 -17.920 -2.336 1.649 1.00 0.00 O ATOM 1718 CB PRO A 115 -16.006 0.448 2.291 1.00 0.00 C ATOM 1719 CG PRO A 115 -15.094 -0.045 1.174 1.00 0.00 C ATOM 1720 CD PRO A 115 -14.446 -1.274 1.799 1.00 0.00 C ATOM 0 HA PRO A 115 -16.750 -0.750 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -16.826 1.052 1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -15.466 1.066 3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -15.654 -0.295 0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -14.355 0.705 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -14.201 -2.017 1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -13.515 -1.013 2.302 1.00 0.00 H new ATOM 1728 N LYS A 116 -18.821 -0.402 2.406 1.00 0.00 N ATOM 1729 CA LYS A 116 -20.135 -0.475 1.797 1.00 0.00 C ATOM 1730 C LYS A 116 -20.370 0.853 1.065 1.00 0.00 C ATOM 1731 O LYS A 116 -19.518 1.742 1.120 1.00 0.00 O ATOM 1732 CB LYS A 116 -21.201 -0.737 2.875 1.00 0.00 C ATOM 1733 CG LYS A 116 -20.896 -1.999 3.701 1.00 0.00 C ATOM 1734 CD LYS A 116 -20.131 -1.682 4.996 1.00 0.00 C ATOM 1735 CE LYS A 116 -19.490 -2.943 5.588 1.00 0.00 C ATOM 1736 NZ LYS A 116 -20.497 -3.949 5.966 1.00 0.00 N ATOM 0 H LYS A 116 -18.716 0.433 2.982 1.00 0.00 H new ATOM 0 HA LYS A 116 -20.201 -1.299 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -21.262 0.124 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -22.177 -0.843 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -21.831 -2.502 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -20.311 -2.692 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.359 -0.940 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -20.812 -1.241 5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.801 -3.375 4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.901 -2.673 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.025 -4.763 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.170 -3.531 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.008 -4.264 5.117 1.00 0.00 H new ATOM 1750 N ASP A 117 -21.506 0.974 0.371 1.00 0.00 N ATOM 1751 CA ASP A 117 -21.854 2.116 -0.477 1.00 0.00 C ATOM 1752 C ASP A 117 -21.377 3.458 0.089 1.00 0.00 C ATOM 1753 O ASP A 117 -21.761 3.833 1.195 1.00 0.00 O ATOM 1754 CB ASP A 117 -23.372 2.158 -0.694 1.00 0.00 C ATOM 1755 CG ASP A 117 -23.785 3.376 -1.511 1.00 0.00 C ATOM 1756 OD1 ASP A 117 -24.780 4.014 -1.190 1.00 0.00 O ATOM 1757 OD2 ASP A 117 -22.993 3.681 -2.570 1.00 0.00 O ATOM 0 H ASP A 117 -22.231 0.257 0.385 1.00 0.00 H new ATOM 0 HA ASP A 117 -21.336 1.971 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -23.693 1.250 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -23.878 2.177 0.271 1.00 0.00 H new ATOM 1763 N GLY A 118 -20.545 4.178 -0.670 1.00 0.00 N ATOM 1764 CA GLY A 118 -20.076 5.514 -0.323 1.00 0.00 C ATOM 1765 C GLY A 118 -18.859 5.518 0.604 1.00 0.00 C ATOM 1766 O GLY A 118 -18.089 6.481 0.584 1.00 0.00 O ATOM 0 H GLY A 118 -20.175 3.838 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -19.826 6.051 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -20.888 6.061 0.156 1.00 0.00 H new ATOM 1770 N LYS A 119 -18.684 4.472 1.420 1.00 0.00 N ATOM 1771 CA LYS A 119 -17.631 4.411 2.423 1.00 0.00 C ATOM 1772 C LYS A 119 -16.339 3.887 1.793 1.00 0.00 C ATOM 1773 O LYS A 119 -16.373 3.223 0.757 1.00 0.00 O ATOM 1774 CB LYS A 119 -18.074 3.538 3.605 1.00 0.00 C ATOM 1775 CG LYS A 119 -19.437 3.978 4.156 1.00 0.00 C ATOM 1776 CD LYS A 119 -19.825 3.127 5.372 1.00 0.00 C ATOM 1777 CE LYS A 119 -21.184 3.553 5.942 1.00 0.00 C ATOM 1778 NZ LYS A 119 -22.281 3.340 4.981 1.00 0.00 N ATOM 0 H LYS A 119 -19.276 3.642 1.397 1.00 0.00 H new ATOM 0 HA LYS A 119 -17.438 5.414 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -18.129 2.497 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -17.327 3.591 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -19.399 5.030 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -20.197 3.883 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -19.862 2.076 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -19.060 3.221 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -21.387 2.990 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -21.146 4.606 6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -23.194 3.479 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -22.194 4.019 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -22.231 2.371 4.606 1.00 0.00 H new ATOM 1792 N PHE A 120 -15.200 4.201 2.418 1.00 0.00 N ATOM 1793 CA PHE A 120 -13.869 3.917 1.897 1.00 0.00 C ATOM 1794 C PHE A 120 -12.943 3.387 2.991 1.00 0.00 C ATOM 1795 O PHE A 120 -12.281 4.170 3.665 1.00 0.00 O ATOM 1796 CB PHE A 120 -13.299 5.195 1.257 1.00 0.00 C ATOM 1797 CG PHE A 120 -13.666 5.336 -0.215 1.00 0.00 C ATOM 1798 CD1 PHE A 120 -14.992 5.606 -0.599 1.00 0.00 C ATOM 1799 CD2 PHE A 120 -12.733 4.983 -1.203 1.00 0.00 C ATOM 1800 CE1 PHE A 120 -15.387 5.476 -1.942 1.00 0.00 C ATOM 1801 CE2 PHE A 120 -13.118 4.854 -2.546 1.00 0.00 C ATOM 1802 CZ PHE A 120 -14.443 5.112 -2.917 1.00 0.00 C ATOM 0 H PHE A 120 -15.183 4.672 3.323 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.942 3.136 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -13.667 6.064 1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.214 5.192 1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -15.712 5.916 0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -11.704 4.808 -0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -16.414 5.656 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -12.395 4.557 -3.291 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.740 5.031 -3.952 1.00 0.00 H new ATOM 1812 N GLY A 121 -12.894 2.061 3.154 1.00 0.00 N ATOM 1813 CA GLY A 121 -11.985 1.369 4.059 1.00 0.00 C ATOM 1814 C GLY A 121 -10.550 1.877 3.918 1.00 0.00 C ATOM 1815 O GLY A 121 -9.981 1.807 2.826 1.00 0.00 O ATOM 0 H GLY A 121 -13.506 1.425 2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.320 1.507 5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.014 0.299 3.855 1.00 0.00 H new ATOM 1819 N TYR A 122 -9.974 2.382 5.014 1.00 0.00 N ATOM 1820 CA TYR A 122 -8.628 2.926 5.049 1.00 0.00 C ATOM 1821 C TYR A 122 -7.936 2.618 6.372 1.00 0.00 C ATOM 1822 O TYR A 122 -8.511 2.042 7.298 1.00 0.00 O ATOM 1823 CB TYR A 122 -8.626 4.436 4.747 1.00 0.00 C ATOM 1824 CG TYR A 122 -8.924 5.376 5.903 1.00 0.00 C ATOM 1825 CD1 TYR A 122 -10.180 5.355 6.526 1.00 0.00 C ATOM 1826 CD2 TYR A 122 -7.952 6.300 6.334 1.00 0.00 C ATOM 1827 CE1 TYR A 122 -10.482 6.271 7.548 1.00 0.00 C ATOM 1828 CE2 TYR A 122 -8.256 7.223 7.349 1.00 0.00 C ATOM 1829 CZ TYR A 122 -9.515 7.200 7.965 1.00 0.00 C ATOM 1830 OH TYR A 122 -9.803 8.068 8.975 1.00 0.00 O ATOM 0 H TYR A 122 -10.447 2.421 5.917 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.055 2.435 4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.649 4.698 4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.358 4.624 3.961 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -10.920 4.631 6.219 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.971 6.299 5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -11.457 6.261 8.012 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -7.519 7.951 7.655 1.00 0.00 H new ATOM 0 HH TYR A 122 -9.028 8.643 9.143 1.00 0.00 H new ATOM 1840 N THR A 123 -6.673 3.030 6.420 1.00 0.00 N ATOM 1841 CA THR A 123 -5.729 2.822 7.494 1.00 0.00 C ATOM 1842 C THR A 123 -4.687 3.919 7.346 1.00 0.00 C ATOM 1843 O THR A 123 -4.652 4.569 6.306 1.00 0.00 O ATOM 1844 CB THR A 123 -5.131 1.413 7.326 1.00 0.00 C ATOM 1845 OG1 THR A 123 -5.920 0.503 8.042 1.00 0.00 O ATOM 1846 CG2 THR A 123 -3.676 1.216 7.750 1.00 0.00 C ATOM 0 H THR A 123 -6.260 3.555 5.649 1.00 0.00 H new ATOM 0 HA THR A 123 -6.170 2.874 8.490 1.00 0.00 H new ATOM 0 HB THR A 123 -5.132 1.249 6.248 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.185 -0.234 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.384 0.180 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.034 1.875 7.166 1.00 0.00 H new ATOM 0 HG23 THR A 123 -3.570 1.452 8.809 1.00 0.00 H new ATOM 1854 N ASP A 124 -3.857 4.117 8.372 1.00 0.00 N ATOM 1855 CA ASP A 124 -2.712 5.015 8.369 1.00 0.00 C ATOM 1856 C ASP A 124 -1.662 4.356 9.265 1.00 0.00 C ATOM 1857 O ASP A 124 -1.389 4.868 10.348 1.00 0.00 O ATOM 1858 CB ASP A 124 -3.101 6.398 8.922 1.00 0.00 C ATOM 1859 CG ASP A 124 -4.263 7.067 8.202 1.00 0.00 C ATOM 1860 OD1 ASP A 124 -5.369 7.044 8.734 1.00 0.00 O ATOM 1861 OD2 ASP A 124 -3.994 7.698 7.026 1.00 0.00 O ATOM 0 H ASP A 124 -3.974 3.633 9.262 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.335 5.175 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.356 6.294 9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -2.232 7.054 8.868 1.00 0.00 H new ATOM 1867 N PHE A 125 -1.130 3.188 8.879 1.00 0.00 N ATOM 1868 CA PHE A 125 -0.222 2.479 9.775 1.00 0.00 C ATOM 1869 C PHE A 125 1.153 3.133 9.725 1.00 0.00 C ATOM 1870 O PHE A 125 1.647 3.463 8.649 1.00 0.00 O ATOM 1871 CB PHE A 125 -0.158 0.965 9.525 1.00 0.00 C ATOM 1872 CG PHE A 125 0.606 0.480 8.304 1.00 0.00 C ATOM 1873 CD1 PHE A 125 2.008 0.344 8.359 1.00 0.00 C ATOM 1874 CD2 PHE A 125 -0.086 0.017 7.170 1.00 0.00 C ATOM 1875 CE1 PHE A 125 2.706 -0.239 7.288 1.00 0.00 C ATOM 1876 CE2 PHE A 125 0.607 -0.627 6.129 1.00 0.00 C ATOM 1877 CZ PHE A 125 2.001 -0.778 6.200 1.00 0.00 C ATOM 0 H PHE A 125 -1.307 2.731 7.984 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.624 2.567 10.784 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.286 0.499 10.405 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -1.180 0.595 9.449 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.548 0.689 9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.155 0.157 7.098 1.00 0.00 H new ATOM 0 HE1 PHE A 125 3.785 -0.273 7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 125 0.066 -1.006 5.274 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.529 -1.307 5.420 1.00 0.00 H new ATOM 1887 N THR A 126 1.760 3.323 10.891 1.00 0.00 N ATOM 1888 CA THR A 126 3.031 4.016 11.031 1.00 0.00 C ATOM 1889 C THR A 126 4.169 3.003 11.149 1.00 0.00 C ATOM 1890 O THR A 126 4.067 2.062 11.934 1.00 0.00 O ATOM 1891 CB THR A 126 2.965 4.934 12.258 1.00 0.00 C ATOM 1892 OG1 THR A 126 1.772 5.694 12.229 1.00 0.00 O ATOM 1893 CG2 THR A 126 4.154 5.891 12.274 1.00 0.00 C ATOM 0 H THR A 126 1.376 2.994 11.777 1.00 0.00 H new ATOM 0 HA THR A 126 3.225 4.627 10.149 1.00 0.00 H new ATOM 0 HB THR A 126 2.988 4.310 13.151 1.00 0.00 H new ATOM 0 HG1 THR A 126 1.849 6.398 11.551 1.00 0.00 H new ATOM 0 HG21 THR A 126 4.091 6.535 13.151 1.00 0.00 H new ATOM 0 HG22 THR A 126 5.081 5.319 12.310 1.00 0.00 H new ATOM 0 HG23 THR A 126 4.140 6.504 11.373 1.00 0.00 H new ATOM 1901 N TRP A 127 5.251 3.198 10.389 1.00 0.00 N ATOM 1902 CA TRP A 127 6.448 2.374 10.435 1.00 0.00 C ATOM 1903 C TRP A 127 7.688 3.263 10.368 1.00 0.00 C ATOM 1904 O TRP A 127 7.693 4.276 9.676 1.00 0.00 O ATOM 1905 CB TRP A 127 6.413 1.383 9.259 1.00 0.00 C ATOM 1906 CG TRP A 127 7.635 0.544 8.998 1.00 0.00 C ATOM 1907 CD1 TRP A 127 8.375 -0.093 9.928 1.00 0.00 C ATOM 1908 CD2 TRP A 127 8.259 0.213 7.720 1.00 0.00 C ATOM 1909 NE1 TRP A 127 9.394 -0.799 9.320 1.00 0.00 N ATOM 1910 CE2 TRP A 127 9.360 -0.662 7.946 1.00 0.00 C ATOM 1911 CE3 TRP A 127 8.002 0.568 6.384 1.00 0.00 C ATOM 1912 CZ2 TRP A 127 10.144 -1.169 6.893 1.00 0.00 C ATOM 1913 CZ3 TRP A 127 8.794 0.099 5.326 1.00 0.00 C ATOM 1914 CH2 TRP A 127 9.846 -0.794 5.572 1.00 0.00 C ATOM 0 H TRP A 127 5.313 3.955 9.709 1.00 0.00 H new ATOM 0 HA TRP A 127 6.486 1.813 11.369 1.00 0.00 H new ATOM 0 HB2 TRP A 127 5.573 0.707 9.419 1.00 0.00 H new ATOM 0 HB3 TRP A 127 6.199 1.949 8.353 1.00 0.00 H new ATOM 0 HD1 TRP A 127 8.197 -0.056 10.993 1.00 0.00 H new ATOM 0 HE1 TRP A 127 10.087 -1.353 9.823 1.00 0.00 H new ATOM 0 HE3 TRP A 127 7.170 1.221 6.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 10.966 -1.839 7.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 8.592 0.427 4.317 1.00 0.00 H new ATOM 0 HH2 TRP A 127 10.424 -1.192 4.751 1.00 0.00 H new ATOM 1925 N HIS A 128 8.735 2.881 11.102 1.00 0.00 N ATOM 1926 CA HIS A 128 10.045 3.505 11.046 1.00 0.00 C ATOM 1927 C HIS A 128 10.974 2.470 10.414 1.00 0.00 C ATOM 1928 O HIS A 128 11.366 1.527 11.100 1.00 0.00 O ATOM 1929 CB HIS A 128 10.504 3.902 12.454 1.00 0.00 C ATOM 1930 CG HIS A 128 9.731 5.080 12.987 1.00 0.00 C ATOM 1931 ND1 HIS A 128 8.644 5.026 13.840 1.00 0.00 N ATOM 1932 CD2 HIS A 128 9.894 6.377 12.587 1.00 0.00 C ATOM 1933 CE1 HIS A 128 8.159 6.276 13.959 1.00 0.00 C ATOM 1934 NE2 HIS A 128 8.899 7.109 13.202 1.00 0.00 N ATOM 0 H HIS A 128 8.687 2.109 11.767 1.00 0.00 H new ATOM 0 HA HIS A 128 10.039 4.423 10.458 1.00 0.00 H new ATOM 0 HB2 HIS A 128 10.383 3.054 13.128 1.00 0.00 H new ATOM 0 HB3 HIS A 128 11.567 4.144 12.434 1.00 0.00 H new ATOM 0 HD1 HIS A 128 8.277 4.191 14.296 1.00 0.00 H new ATOM 0 HD2 HIS A 128 10.654 6.755 11.919 1.00 0.00 H new ATOM 0 HE1 HIS A 128 7.312 6.565 14.564 1.00 0.00 H new ATOM 1943 N PRO A 129 11.273 2.570 9.110 1.00 0.00 N ATOM 1944 CA PRO A 129 12.104 1.600 8.429 1.00 0.00 C ATOM 1945 C PRO A 129 13.574 1.836 8.803 1.00 0.00 C ATOM 1946 O PRO A 129 13.900 2.841 9.435 1.00 0.00 O ATOM 1947 CB PRO A 129 11.901 1.895 6.947 1.00 0.00 C ATOM 1948 CG PRO A 129 11.719 3.407 6.931 1.00 0.00 C ATOM 1949 CD PRO A 129 10.889 3.632 8.196 1.00 0.00 C ATOM 0 HA PRO A 129 11.851 0.572 8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.759 1.584 6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.029 1.378 6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.672 3.935 6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.200 3.748 6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.090 4.612 8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 129 9.822 3.593 7.977 1.00 0.00 H new ATOM 1957 N THR A 130 14.472 0.950 8.364 1.00 0.00 N ATOM 1958 CA THR A 130 15.917 1.136 8.496 1.00 0.00 C ATOM 1959 C THR A 130 16.532 1.164 7.097 1.00 0.00 C ATOM 1960 O THR A 130 15.941 0.613 6.169 1.00 0.00 O ATOM 1961 CB THR A 130 16.534 0.074 9.419 1.00 0.00 C ATOM 1962 OG1 THR A 130 16.344 -1.232 8.919 1.00 0.00 O ATOM 1963 CG2 THR A 130 15.938 0.163 10.827 1.00 0.00 C ATOM 0 H THR A 130 14.213 0.077 7.904 1.00 0.00 H new ATOM 0 HA THR A 130 16.136 2.089 8.978 1.00 0.00 H new ATOM 0 HB THR A 130 17.604 0.278 9.460 1.00 0.00 H new ATOM 0 HG1 THR A 130 15.478 -1.285 8.464 1.00 0.00 H new ATOM 0 HG21 THR A 130 16.390 -0.599 11.462 1.00 0.00 H new ATOM 0 HG22 THR A 130 16.138 1.150 11.245 1.00 0.00 H new ATOM 0 HG23 THR A 130 14.861 0.001 10.777 1.00 0.00 H new ATOM 1971 N ALA A 131 17.677 1.828 6.919 1.00 0.00 N ATOM 1972 CA ALA A 131 18.232 2.031 5.586 1.00 0.00 C ATOM 1973 C ALA A 131 18.489 0.725 4.824 1.00 0.00 C ATOM 1974 O ALA A 131 18.922 -0.266 5.408 1.00 0.00 O ATOM 1975 CB ALA A 131 19.483 2.915 5.632 1.00 0.00 C ATOM 0 H ALA A 131 18.231 2.229 7.676 1.00 0.00 H new ATOM 0 HA ALA A 131 17.465 2.557 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 131 19.872 3.047 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 131 19.226 3.887 6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 131 20.241 2.440 6.254 1.00 0.00 H new ATOM 1981 N GLY A 132 18.233 0.750 3.513 1.00 0.00 N ATOM 1982 CA GLY A 132 18.425 -0.347 2.580 1.00 0.00 C ATOM 1983 C GLY A 132 17.211 -0.455 1.670 1.00 0.00 C ATOM 1984 O GLY A 132 16.840 0.527 1.022 1.00 0.00 O ATOM 0 H GLY A 132 17.866 1.585 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.324 -0.181 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 132 18.570 -1.280 3.124 1.00 0.00 H new ATOM 1988 N THR A 133 16.602 -1.638 1.567 1.00 0.00 N ATOM 1989 CA THR A 133 15.497 -1.865 0.650 1.00 0.00 C ATOM 1990 C THR A 133 14.588 -2.966 1.190 1.00 0.00 C ATOM 1991 O THR A 133 15.068 -3.929 1.785 1.00 0.00 O ATOM 1992 CB THR A 133 16.032 -2.187 -0.757 1.00 0.00 C ATOM 1993 OG1 THR A 133 16.927 -1.175 -1.178 1.00 0.00 O ATOM 1994 CG2 THR A 133 14.915 -2.294 -1.801 1.00 0.00 C ATOM 0 H THR A 133 16.863 -2.457 2.116 1.00 0.00 H new ATOM 0 HA THR A 133 14.897 -0.958 0.567 1.00 0.00 H new ATOM 0 HB THR A 133 16.533 -3.152 -0.684 1.00 0.00 H new ATOM 0 HG1 THR A 133 17.264 -1.388 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 133 15.348 -2.522 -2.775 1.00 0.00 H new ATOM 0 HG22 THR A 133 14.225 -3.088 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 133 14.377 -1.348 -1.856 1.00 0.00 H new ATOM 2002 N TYR A 134 13.281 -2.799 0.982 1.00 0.00 N ATOM 2003 CA TYR A 134 12.229 -3.746 1.317 1.00 0.00 C ATOM 2004 C TYR A 134 11.320 -3.851 0.097 1.00 0.00 C ATOM 2005 O TYR A 134 11.559 -3.185 -0.912 1.00 0.00 O ATOM 2006 CB TYR A 134 11.437 -3.257 2.541 1.00 0.00 C ATOM 2007 CG TYR A 134 12.285 -2.840 3.720 1.00 0.00 C ATOM 2008 CD1 TYR A 134 12.891 -1.574 3.707 1.00 0.00 C ATOM 2009 CD2 TYR A 134 12.402 -3.666 4.854 1.00 0.00 C ATOM 2010 CE1 TYR A 134 13.661 -1.155 4.796 1.00 0.00 C ATOM 2011 CE2 TYR A 134 13.134 -3.221 5.969 1.00 0.00 C ATOM 2012 CZ TYR A 134 13.777 -1.973 5.929 1.00 0.00 C ATOM 2013 OH TYR A 134 14.513 -1.542 6.988 1.00 0.00 O ATOM 0 H TYR A 134 12.913 -1.951 0.551 1.00 0.00 H new ATOM 0 HA TYR A 134 12.648 -4.720 1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 134 10.817 -2.412 2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 134 10.762 -4.051 2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 134 12.762 -0.923 2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 134 11.931 -4.638 4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 134 14.167 -0.201 4.765 1.00 0.00 H new ATOM 0 HE2 TYR A 134 13.202 -3.837 6.854 1.00 0.00 H new ATOM 0 HH TYR A 134 15.224 -0.946 6.672 1.00 0.00 H new ATOM 2023 N TYR A 135 10.271 -4.661 0.189 1.00 0.00 N ATOM 2024 CA TYR A 135 9.249 -4.791 -0.828 1.00 0.00 C ATOM 2025 C TYR A 135 7.900 -4.946 -0.138 1.00 0.00 C ATOM 2026 O TYR A 135 7.836 -5.524 0.948 1.00 0.00 O ATOM 2027 CB TYR A 135 9.519 -6.003 -1.723 1.00 0.00 C ATOM 2028 CG TYR A 135 10.775 -5.937 -2.574 1.00 0.00 C ATOM 2029 CD1 TYR A 135 12.028 -6.258 -2.019 1.00 0.00 C ATOM 2030 CD2 TYR A 135 10.679 -5.665 -3.951 1.00 0.00 C ATOM 2031 CE1 TYR A 135 13.178 -6.288 -2.825 1.00 0.00 C ATOM 2032 CE2 TYR A 135 11.821 -5.750 -4.766 1.00 0.00 C ATOM 2033 CZ TYR A 135 13.073 -6.035 -4.201 1.00 0.00 C ATOM 2034 OH TYR A 135 14.170 -6.104 -5.006 1.00 0.00 O ATOM 0 H TYR A 135 10.109 -5.260 0.999 1.00 0.00 H new ATOM 0 HA TYR A 135 9.253 -3.902 -1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 135 9.578 -6.890 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 135 8.663 -6.139 -2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 135 12.106 -6.483 -0.966 1.00 0.00 H new ATOM 0 HD2 TYR A 135 9.727 -5.391 -4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 135 14.141 -6.505 -2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 135 11.734 -5.595 -5.831 1.00 0.00 H new ATOM 0 HH TYR A 135 13.912 -5.900 -5.929 1.00 0.00 H new ATOM 2044 N TYR A 136 6.842 -4.428 -0.765 1.00 0.00 N ATOM 2045 CA TYR A 136 5.470 -4.611 -0.322 1.00 0.00 C ATOM 2046 C TYR A 136 4.819 -5.665 -1.211 1.00 0.00 C ATOM 2047 O TYR A 136 5.153 -5.737 -2.394 1.00 0.00 O ATOM 2048 CB TYR A 136 4.686 -3.293 -0.334 1.00 0.00 C ATOM 2049 CG TYR A 136 4.594 -2.545 -1.655 1.00 0.00 C ATOM 2050 CD1 TYR A 136 5.542 -1.548 -1.949 1.00 0.00 C ATOM 2051 CD2 TYR A 136 3.450 -2.673 -2.467 1.00 0.00 C ATOM 2052 CE1 TYR A 136 5.329 -0.657 -3.014 1.00 0.00 C ATOM 2053 CE2 TYR A 136 3.235 -1.776 -3.532 1.00 0.00 C ATOM 2054 CZ TYR A 136 4.162 -0.755 -3.791 1.00 0.00 C ATOM 2055 OH TYR A 136 3.960 0.082 -4.847 1.00 0.00 O ATOM 0 H TYR A 136 6.922 -3.861 -1.609 1.00 0.00 H new ATOM 0 HA TYR A 136 5.463 -4.951 0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 136 3.672 -3.501 0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 136 5.138 -2.626 0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 136 6.439 -1.467 -1.353 1.00 0.00 H new ATOM 0 HD2 TYR A 136 2.736 -3.460 -2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 136 6.063 0.104 -3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 136 2.355 -1.874 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 136 4.517 -0.202 -5.601 1.00 0.00 H new ATOM 2065 N VAL A 137 3.919 -6.476 -0.647 1.00 0.00 N ATOM 2066 CA VAL A 137 3.123 -7.465 -1.365 1.00 0.00 C ATOM 2067 C VAL A 137 1.740 -7.606 -0.719 1.00 0.00 C ATOM 2068 O VAL A 137 1.570 -7.221 0.436 1.00 0.00 O ATOM 2069 CB VAL A 137 3.828 -8.838 -1.387 1.00 0.00 C ATOM 2070 CG1 VAL A 137 5.205 -8.800 -2.053 1.00 0.00 C ATOM 2071 CG2 VAL A 137 3.980 -9.460 0.009 1.00 0.00 C ATOM 0 H VAL A 137 3.721 -6.458 0.353 1.00 0.00 H new ATOM 0 HA VAL A 137 3.008 -7.119 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 137 3.164 -9.462 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.646 -9.797 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 137 5.101 -8.468 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.851 -8.108 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.483 -10.423 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.570 -8.796 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.995 -9.602 0.453 1.00 0.00 H new ATOM 2081 N CYS A 138 0.761 -8.153 -1.452 1.00 0.00 N ATOM 2082 CA CYS A 138 -0.558 -8.530 -0.934 1.00 0.00 C ATOM 2083 C CYS A 138 -0.589 -10.041 -0.645 1.00 0.00 C ATOM 2084 O CYS A 138 -0.299 -10.828 -1.544 1.00 0.00 O ATOM 2085 CB CYS A 138 -1.602 -8.219 -2.003 1.00 0.00 C ATOM 2086 SG CYS A 138 -3.255 -8.880 -1.716 1.00 0.00 S ATOM 0 H CYS A 138 0.869 -8.350 -2.447 1.00 0.00 H new ATOM 0 HA CYS A 138 -0.765 -7.978 -0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -1.678 -7.136 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -1.240 -8.602 -2.957 1.00 0.00 H new ATOM 0 HG CYS A 138 -3.457 -9.004 -0.438 1.00 0.00 H new ATOM 2091 N GLN A 139 -0.953 -10.463 0.576 1.00 0.00 N ATOM 2092 CA GLN A 139 -0.966 -11.880 0.970 1.00 0.00 C ATOM 2093 C GLN A 139 -1.876 -12.806 0.152 1.00 0.00 C ATOM 2094 O GLN A 139 -1.625 -14.007 0.137 1.00 0.00 O ATOM 2095 CB GLN A 139 -1.305 -12.061 2.461 1.00 0.00 C ATOM 2096 CG GLN A 139 -0.081 -12.111 3.371 1.00 0.00 C ATOM 2097 CD GLN A 139 -0.490 -12.336 4.825 1.00 0.00 C ATOM 2098 OE1 GLN A 139 -0.994 -13.400 5.167 1.00 0.00 O ATOM 2099 NE2 GLN A 139 -0.280 -11.361 5.705 1.00 0.00 N ATOM 0 H GLN A 139 -1.247 -9.830 1.319 1.00 0.00 H new ATOM 0 HA GLN A 139 0.058 -12.188 0.757 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -1.949 -11.241 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -1.876 -12.981 2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 139 0.584 -12.912 3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 139 0.478 -11.179 3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 139 0.141 -10.482 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -0.539 -11.492 6.683 1.00 0.00 H new ATOM 2108 N ILE A 140 -2.967 -12.326 -0.451 1.00 0.00 N ATOM 2109 CA ILE A 140 -3.896 -13.236 -1.128 1.00 0.00 C ATOM 2110 C ILE A 140 -3.146 -14.041 -2.207 1.00 0.00 C ATOM 2111 O ILE A 140 -2.450 -13.432 -3.025 1.00 0.00 O ATOM 2112 CB ILE A 140 -5.085 -12.470 -1.732 1.00 0.00 C ATOM 2113 CG1 ILE A 140 -5.853 -11.609 -0.717 1.00 0.00 C ATOM 2114 CG2 ILE A 140 -6.062 -13.401 -2.465 1.00 0.00 C ATOM 2115 CD1 ILE A 140 -6.498 -12.376 0.441 1.00 0.00 C ATOM 0 H ILE A 140 -3.225 -11.340 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 140 -4.301 -13.931 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 140 -4.631 -11.790 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -5.169 -10.868 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -6.633 -11.062 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -6.885 -12.815 -2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -5.541 -13.910 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -6.455 -14.139 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -7.014 -11.676 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -7.213 -13.098 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -5.726 -12.901 1.004 1.00 0.00 H new ATOM 2127 N PRO A 141 -3.265 -15.384 -2.229 1.00 0.00 N ATOM 2128 CA PRO A 141 -2.590 -16.229 -3.202 1.00 0.00 C ATOM 2129 C PRO A 141 -2.660 -15.679 -4.627 1.00 0.00 C ATOM 2130 O PRO A 141 -3.690 -15.160 -5.053 1.00 0.00 O ATOM 2131 CB PRO A 141 -3.256 -17.601 -3.094 1.00 0.00 C ATOM 2132 CG PRO A 141 -3.676 -17.662 -1.626 1.00 0.00 C ATOM 2133 CD PRO A 141 -4.021 -16.209 -1.295 1.00 0.00 C ATOM 0 HA PRO A 141 -1.523 -16.278 -2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -4.112 -17.688 -3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -2.567 -18.406 -3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -4.532 -18.321 -1.480 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -2.872 -18.038 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -5.091 -16.031 -1.398 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -3.756 -15.972 -0.265 1.00 0.00 H new ATOM 2141 N GLY A 142 -1.544 -15.752 -5.351 1.00 0.00 N ATOM 2142 CA GLY A 142 -1.456 -15.289 -6.725 1.00 0.00 C ATOM 2143 C GLY A 142 -1.292 -13.775 -6.846 1.00 0.00 C ATOM 2144 O GLY A 142 -0.708 -13.312 -7.823 1.00 0.00 O ATOM 0 H GLY A 142 -0.671 -16.138 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -0.613 -15.778 -7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -2.355 -15.594 -7.261 1.00 0.00 H new ATOM 2148 N HIS A 143 -1.777 -12.978 -5.891 1.00 0.00 N ATOM 2149 CA HIS A 143 -1.778 -11.527 -6.043 1.00 0.00 C ATOM 2150 C HIS A 143 -0.357 -10.971 -6.162 1.00 0.00 C ATOM 2151 O HIS A 143 -0.062 -10.239 -7.109 1.00 0.00 O ATOM 2152 CB HIS A 143 -2.586 -10.862 -4.925 1.00 0.00 C ATOM 2153 CG HIS A 143 -4.084 -11.066 -5.019 1.00 0.00 C ATOM 2154 ND1 HIS A 143 -5.038 -10.251 -4.411 1.00 0.00 N ATOM 2155 CD2 HIS A 143 -4.732 -12.051 -5.715 1.00 0.00 C ATOM 2156 CE1 HIS A 143 -6.231 -10.763 -4.746 1.00 0.00 C ATOM 2157 NE2 HIS A 143 -6.077 -11.842 -5.529 1.00 0.00 N ATOM 0 H HIS A 143 -2.171 -13.313 -5.012 1.00 0.00 H new ATOM 0 HA HIS A 143 -2.276 -11.283 -6.981 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -2.240 -11.248 -3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -2.378 -9.792 -4.932 1.00 0.00 H new ATOM 0 HD1 HIS A 143 -4.864 -9.431 -3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -4.275 -12.838 -6.296 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -7.183 -10.363 -4.430 1.00 0.00 H new ATOM 2165 N ALA A 144 0.533 -11.329 -5.231 1.00 0.00 N ATOM 2166 CA ALA A 144 1.929 -10.912 -5.312 1.00 0.00 C ATOM 2167 C ALA A 144 2.561 -11.383 -6.625 1.00 0.00 C ATOM 2168 O ALA A 144 3.274 -10.628 -7.276 1.00 0.00 O ATOM 2169 CB ALA A 144 2.730 -11.425 -4.113 1.00 0.00 C ATOM 0 H ALA A 144 0.310 -11.903 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 144 1.953 -9.822 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 144 3.766 -11.099 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 144 2.302 -11.028 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 144 2.693 -12.514 -4.090 1.00 0.00 H new ATOM 2175 N ALA A 145 2.307 -12.635 -7.017 1.00 0.00 N ATOM 2176 CA ALA A 145 2.863 -13.195 -8.242 1.00 0.00 C ATOM 2177 C ALA A 145 2.403 -12.409 -9.474 1.00 0.00 C ATOM 2178 O ALA A 145 3.201 -12.136 -10.367 1.00 0.00 O ATOM 2179 CB ALA A 145 2.498 -14.678 -8.356 1.00 0.00 C ATOM 0 H ALA A 145 1.714 -13.281 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 145 3.949 -13.111 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 145 2.918 -15.087 -9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 145 2.902 -15.219 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.413 -14.785 -8.374 1.00 0.00 H new ATOM 2185 N THR A 146 1.119 -12.048 -9.529 1.00 0.00 N ATOM 2186 CA THR A 146 0.537 -11.403 -10.699 1.00 0.00 C ATOM 2187 C THR A 146 0.871 -9.911 -10.762 1.00 0.00 C ATOM 2188 O THR A 146 1.134 -9.407 -11.852 1.00 0.00 O ATOM 2189 CB THR A 146 -0.978 -11.640 -10.759 1.00 0.00 C ATOM 2190 OG1 THR A 146 -1.593 -11.321 -9.529 1.00 0.00 O ATOM 2191 CG2 THR A 146 -1.296 -13.095 -11.114 1.00 0.00 C ATOM 0 H THR A 146 0.459 -12.195 -8.765 1.00 0.00 H new ATOM 0 HA THR A 146 0.987 -11.863 -11.579 1.00 0.00 H new ATOM 0 HB THR A 146 -1.372 -10.986 -11.537 1.00 0.00 H new ATOM 0 HG1 THR A 146 -1.427 -12.040 -8.884 1.00 0.00 H new ATOM 0 HG21 THR A 146 -2.377 -13.233 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 146 -0.868 -13.334 -12.087 1.00 0.00 H new ATOM 0 HG23 THR A 146 -0.870 -13.755 -10.358 1.00 0.00 H new ATOM 2199 N GLY A 147 0.841 -9.181 -9.641 1.00 0.00 N ATOM 2200 CA GLY A 147 1.081 -7.743 -9.733 1.00 0.00 C ATOM 2201 C GLY A 147 0.997 -6.942 -8.435 1.00 0.00 C ATOM 2202 O GLY A 147 1.446 -5.799 -8.419 1.00 0.00 O ATOM 0 H GLY A 147 0.662 -9.542 -8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 147 2.072 -7.592 -10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.362 -7.324 -10.437 1.00 0.00 H new ATOM 2206 N MET A 148 0.421 -7.475 -7.355 1.00 0.00 N ATOM 2207 CA MET A 148 0.221 -6.697 -6.139 1.00 0.00 C ATOM 2208 C MET A 148 1.521 -6.606 -5.344 1.00 0.00 C ATOM 2209 O MET A 148 1.662 -7.301 -4.336 1.00 0.00 O ATOM 2210 CB MET A 148 -0.896 -7.322 -5.289 1.00 0.00 C ATOM 2211 CG MET A 148 -2.228 -7.318 -6.042 1.00 0.00 C ATOM 2212 SD MET A 148 -3.767 -7.054 -5.115 1.00 0.00 S ATOM 2213 CE MET A 148 -3.555 -5.327 -4.664 1.00 0.00 C ATOM 0 H MET A 148 0.088 -8.438 -7.301 1.00 0.00 H new ATOM 0 HA MET A 148 -0.080 -5.686 -6.414 1.00 0.00 H new ATOM 0 HB2 MET A 148 -0.627 -8.345 -5.025 1.00 0.00 H new ATOM 0 HB3 MET A 148 -1.000 -6.768 -4.356 1.00 0.00 H new ATOM 0 HG2 MET A 148 -2.170 -6.545 -6.808 1.00 0.00 H new ATOM 0 HG3 MET A 148 -2.316 -8.274 -6.559 1.00 0.00 H new ATOM 0 HE1 MET A 148 -4.012 -5.146 -3.691 1.00 0.00 H new ATOM 0 HE2 MET A 148 -2.492 -5.092 -4.614 1.00 0.00 H new ATOM 0 HE3 MET A 148 -4.032 -4.694 -5.412 1.00 0.00 H new ATOM 2223 N PHE A 149 2.453 -5.748 -5.781 1.00 0.00 N ATOM 2224 CA PHE A 149 3.735 -5.562 -5.109 1.00 0.00 C ATOM 2225 C PHE A 149 4.418 -4.235 -5.473 1.00 0.00 C ATOM 2226 O PHE A 149 3.836 -3.419 -6.178 1.00 0.00 O ATOM 2227 CB PHE A 149 4.630 -6.769 -5.419 1.00 0.00 C ATOM 2228 CG PHE A 149 5.019 -6.907 -6.881 1.00 0.00 C ATOM 2229 CD1 PHE A 149 6.153 -6.248 -7.398 1.00 0.00 C ATOM 2230 CD2 PHE A 149 4.273 -7.755 -7.718 1.00 0.00 C ATOM 2231 CE1 PHE A 149 6.572 -6.495 -8.716 1.00 0.00 C ATOM 2232 CE2 PHE A 149 4.717 -8.038 -9.020 1.00 0.00 C ATOM 2233 CZ PHE A 149 5.867 -7.407 -9.520 1.00 0.00 C ATOM 0 H PHE A 149 2.334 -5.166 -6.610 1.00 0.00 H new ATOM 0 HA PHE A 149 3.557 -5.502 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 149 5.538 -6.695 -4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 149 4.115 -7.677 -5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 149 6.701 -5.552 -6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 149 3.353 -8.191 -7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 149 7.437 -5.983 -9.112 1.00 0.00 H new ATOM 0 HE2 PHE A 149 4.174 -8.740 -9.636 1.00 0.00 H new ATOM 0 HZ PHE A 149 6.210 -7.622 -10.521 1.00 0.00 H new ATOM 2243 N GLY A 150 5.651 -4.017 -4.993 1.00 0.00 N ATOM 2244 CA GLY A 150 6.504 -2.868 -5.306 1.00 0.00 C ATOM 2245 C GLY A 150 7.668 -2.842 -4.330 1.00 0.00 C ATOM 2246 O GLY A 150 7.645 -3.557 -3.328 1.00 0.00 O ATOM 0 H GLY A 150 6.098 -4.668 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 150 6.871 -2.939 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 150 5.932 -1.943 -5.236 1.00 0.00 H new ATOM 2250 N LYS A 151 8.699 -2.059 -4.654 1.00 0.00 N ATOM 2251 CA LYS A 151 9.933 -1.983 -3.888 1.00 0.00 C ATOM 2252 C LYS A 151 9.893 -0.720 -3.026 1.00 0.00 C ATOM 2253 O LYS A 151 9.317 0.285 -3.443 1.00 0.00 O ATOM 2254 CB LYS A 151 11.157 -1.975 -4.818 1.00 0.00 C ATOM 2255 CG LYS A 151 10.940 -2.718 -6.144 1.00 0.00 C ATOM 2256 CD LYS A 151 12.279 -2.880 -6.873 1.00 0.00 C ATOM 2257 CE LYS A 151 12.072 -3.557 -8.232 1.00 0.00 C ATOM 2258 NZ LYS A 151 13.355 -3.759 -8.928 1.00 0.00 N ATOM 0 H LYS A 151 8.694 -1.451 -5.473 1.00 0.00 H new ATOM 0 HA LYS A 151 10.021 -2.861 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 151 11.430 -0.942 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 151 12.001 -2.425 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 151 10.497 -3.696 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 151 10.239 -2.166 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 151 12.744 -1.904 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 151 12.961 -3.474 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 151 11.577 -4.518 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 151 11.413 -2.946 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 13.184 -4.219 -9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 13.815 -2.839 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 13.973 -4.362 -8.348 1.00 0.00 H new ATOM 2272 N ILE A 152 10.510 -0.767 -1.847 1.00 0.00 N ATOM 2273 CA ILE A 152 10.648 0.351 -0.927 1.00 0.00 C ATOM 2274 C ILE A 152 12.144 0.558 -0.712 1.00 0.00 C ATOM 2275 O ILE A 152 12.745 -0.190 0.056 1.00 0.00 O ATOM 2276 CB ILE A 152 9.959 0.019 0.412 1.00 0.00 C ATOM 2277 CG1 ILE A 152 8.516 -0.461 0.203 1.00 0.00 C ATOM 2278 CG2 ILE A 152 10.005 1.236 1.342 1.00 0.00 C ATOM 2279 CD1 ILE A 152 7.731 -0.588 1.508 1.00 0.00 C ATOM 0 H ILE A 152 10.943 -1.621 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 152 10.182 1.252 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 152 10.504 -0.801 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 152 8.000 0.235 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 152 8.530 -1.427 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 152 9.516 0.992 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 152 11.043 1.510 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 152 9.489 2.073 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 152 6.719 -0.931 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 152 8.226 -1.306 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 152 7.687 0.383 2.002 1.00 0.00 H new ATOM 2291 N VAL A 153 12.762 1.538 -1.376 1.00 0.00 N ATOM 2292 CA VAL A 153 14.165 1.859 -1.130 1.00 0.00 C ATOM 2293 C VAL A 153 14.223 2.891 -0.011 1.00 0.00 C ATOM 2294 O VAL A 153 13.655 3.971 -0.153 1.00 0.00 O ATOM 2295 CB VAL A 153 14.851 2.405 -2.389 1.00 0.00 C ATOM 2296 CG1 VAL A 153 16.361 2.533 -2.123 1.00 0.00 C ATOM 2297 CG2 VAL A 153 14.620 1.493 -3.601 1.00 0.00 C ATOM 0 H VAL A 153 12.313 2.119 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 153 14.696 0.951 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 153 14.420 3.380 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.856 2.921 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 153 16.527 3.216 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 153 16.771 1.554 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 153 15.121 1.913 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.024 0.502 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 153 13.551 1.415 -3.799 1.00 0.00 H new ATOM 2307 N VAL A 154 14.904 2.580 1.090 1.00 0.00 N ATOM 2308 CA VAL A 154 15.010 3.455 2.245 1.00 0.00 C ATOM 2309 C VAL A 154 16.445 3.970 2.293 1.00 0.00 C ATOM 2310 O VAL A 154 17.324 3.285 2.806 1.00 0.00 O ATOM 2311 CB VAL A 154 14.613 2.669 3.505 1.00 0.00 C ATOM 2312 CG1 VAL A 154 14.678 3.552 4.754 1.00 0.00 C ATOM 2313 CG2 VAL A 154 13.180 2.149 3.354 1.00 0.00 C ATOM 0 H VAL A 154 15.404 1.698 1.202 1.00 0.00 H new ATOM 0 HA VAL A 154 14.338 4.311 2.183 1.00 0.00 H new ATOM 0 HB VAL A 154 15.314 1.842 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 154 14.392 2.967 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 154 15.694 3.925 4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 154 13.995 4.394 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 154 12.899 1.592 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 154 12.500 2.990 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 154 13.120 1.494 2.485 1.00 0.00 H new ATOM 2323 N LYS A 155 16.708 5.150 1.734 1.00 0.00 N ATOM 2324 CA LYS A 155 18.036 5.754 1.754 1.00 0.00 C ATOM 2325 C LYS A 155 17.897 7.272 1.753 1.00 0.00 C ATOM 2326 O LYS A 155 17.710 7.874 2.810 1.00 0.00 O ATOM 2327 CB LYS A 155 18.890 5.287 0.563 1.00 0.00 C ATOM 2328 CG LYS A 155 19.128 3.771 0.518 1.00 0.00 C ATOM 2329 CD LYS A 155 20.061 3.408 -0.641 1.00 0.00 C ATOM 2330 CE LYS A 155 20.271 1.891 -0.693 1.00 0.00 C ATOM 2331 NZ LYS A 155 21.150 1.512 -1.812 1.00 0.00 N ATOM 0 H LYS A 155 16.005 5.713 1.255 1.00 0.00 H new ATOM 0 HA LYS A 155 18.549 5.434 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 155 18.403 5.595 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 155 19.854 5.794 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 155 19.562 3.437 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 155 18.177 3.251 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 155 19.637 3.757 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 155 21.020 3.912 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 155 20.706 1.549 0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 155 19.308 1.392 -0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 21.274 0.479 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 20.722 1.818 -2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 22.076 1.971 -1.697 1.00 0.00 H new