USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 641 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 71 GLN : amide:sc= 0.751 K(o=0.75,f=-3.3!) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 ASN :FLIP amide:sc= 0.107 F(o=-4.3!,f=0.17) USER MOD Set 2.2: A 40 GLN : amide:sc= 0.0614 K(o=0.17,f=-7.6!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 8 TYR OH : rot 6:sc= 1.26 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.675 K(o=0.68,f=-8.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0281) USER MOD Single : A 30 SER OG : rot 52:sc= 1.28 USER MOD Single : A 44 HIS :FLIP no HD1:sc= 0.037 F(o=-0.95,f=0.037) USER MOD Single : A 45 SER OG : rot 24:sc= 1.2 USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 0.116 (180deg=0.105) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.663 K(o=0.66,f=-1.1) USER MOD Single : A 56 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.027) USER MOD Single : A 59 TYR OH : rot 110:sc= -0.0148 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 40:sc= 0.261 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.576 K(o=-0.58,f=-1.7) USER MOD Single : A 83 THR OG1 : rot -14:sc= 0.88 USER MOD Single : A 85 SER OG : rot -59:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -21.838 12.406 8.588 1.00 0.00 N ATOM 58 CA GLU A 5 -22.832 11.326 8.752 1.00 0.00 C ATOM 59 C GLU A 5 -23.459 10.890 7.419 1.00 0.00 C ATOM 60 O GLU A 5 -23.742 11.717 6.554 1.00 0.00 O ATOM 61 CB GLU A 5 -23.968 11.751 9.688 1.00 0.00 C ATOM 62 CG GLU A 5 -23.523 11.858 11.146 1.00 0.00 C ATOM 63 CD GLU A 5 -24.725 12.038 12.073 1.00 0.00 C ATOM 64 OE1 GLU A 5 -25.124 13.208 12.259 1.00 0.00 O ATOM 65 OE2 GLU A 5 -25.245 10.998 12.532 1.00 0.00 O ATOM 0 HA GLU A 5 -22.281 10.487 9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -24.362 12.713 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -24.783 11.031 9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -22.972 10.961 11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.841 12.700 11.261 1.00 0.00 H new ATOM 72 N ALA A 6 -23.852 9.619 7.393 1.00 0.00 N ATOM 73 CA ALA A 6 -24.454 8.981 6.206 1.00 0.00 C ATOM 74 C ALA A 6 -25.703 8.151 6.544 1.00 0.00 C ATOM 75 O ALA A 6 -25.829 7.613 7.642 1.00 0.00 O ATOM 76 CB ALA A 6 -23.402 8.110 5.521 1.00 0.00 C ATOM 0 H ALA A 6 -23.765 8.993 8.194 1.00 0.00 H new ATOM 0 HA ALA A 6 -24.785 9.772 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -23.839 7.635 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -22.559 8.730 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -23.057 7.343 6.214 1.00 0.00 H new ATOM 82 N GLN A 7 -26.573 8.027 5.544 1.00 0.00 N ATOM 83 CA GLN A 7 -27.858 7.301 5.662 1.00 0.00 C ATOM 84 C GLN A 7 -27.836 5.891 5.033 1.00 0.00 C ATOM 85 O GLN A 7 -28.347 4.939 5.617 1.00 0.00 O ATOM 86 CB GLN A 7 -28.931 8.184 5.011 1.00 0.00 C ATOM 87 CG GLN A 7 -30.368 7.744 5.311 1.00 0.00 C ATOM 88 CD GLN A 7 -31.391 8.654 4.620 1.00 0.00 C ATOM 89 OE1 GLN A 7 -31.262 9.056 3.472 1.00 0.00 O ATOM 90 NE2 GLN A 7 -32.468 8.959 5.308 1.00 0.00 N ATOM 0 H GLN A 7 -26.415 8.426 4.619 1.00 0.00 H new ATOM 0 HA GLN A 7 -28.070 7.124 6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -28.798 9.211 5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -28.780 8.185 3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -30.511 6.716 4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -30.536 7.758 6.388 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -32.574 8.623 6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -33.198 9.532 4.885 1.00 0.00 H new ATOM 99 N TYR A 8 -27.181 5.775 3.877 1.00 0.00 N ATOM 100 CA TYR A 8 -27.035 4.547 3.056 1.00 0.00 C ATOM 101 C TYR A 8 -26.185 3.388 3.631 1.00 0.00 C ATOM 102 O TYR A 8 -25.420 2.717 2.930 1.00 0.00 O ATOM 103 CB TYR A 8 -26.554 4.962 1.653 1.00 0.00 C ATOM 104 CG TYR A 8 -25.348 5.911 1.676 1.00 0.00 C ATOM 105 CD1 TYR A 8 -24.080 5.445 2.007 1.00 0.00 C ATOM 106 CD2 TYR A 8 -25.565 7.277 1.541 1.00 0.00 C ATOM 107 CE1 TYR A 8 -23.039 6.338 2.229 1.00 0.00 C ATOM 108 CE2 TYR A 8 -24.525 8.170 1.753 1.00 0.00 C ATOM 109 CZ TYR A 8 -23.263 7.702 2.093 1.00 0.00 C ATOM 110 OH TYR A 8 -22.282 8.598 2.366 1.00 0.00 O ATOM 0 H TYR A 8 -26.707 6.574 3.455 1.00 0.00 H new ATOM 0 HA TYR A 8 -28.027 4.095 3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.292 4.068 1.088 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -27.376 5.444 1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -23.904 4.383 2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -26.544 7.644 1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -22.061 5.973 2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -24.697 9.231 1.653 1.00 0.00 H new ATOM 0 HH TYR A 8 -21.447 8.121 2.556 1.00 0.00 H new ATOM 120 N VAL A 9 -26.363 3.110 4.917 1.00 0.00 N ATOM 121 CA VAL A 9 -25.644 2.019 5.607 1.00 0.00 C ATOM 122 C VAL A 9 -26.370 0.666 5.465 1.00 0.00 C ATOM 123 O VAL A 9 -27.311 0.353 6.189 1.00 0.00 O ATOM 124 CB VAL A 9 -25.270 2.433 7.051 1.00 0.00 C ATOM 125 CG1 VAL A 9 -26.465 2.770 7.951 1.00 0.00 C ATOM 126 CG2 VAL A 9 -24.337 1.408 7.706 1.00 0.00 C ATOM 0 H VAL A 9 -27.005 3.626 5.519 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.690 1.848 5.109 1.00 0.00 H new ATOM 0 HB VAL A 9 -24.729 3.373 6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.107 3.049 8.942 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.022 3.602 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -27.116 1.900 8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.095 1.731 8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.832 0.437 7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.420 1.326 7.123 1.00 0.00 H new ATOM 136 N ALA A 10 -25.996 -0.046 4.404 1.00 0.00 N ATOM 137 CA ALA A 10 -26.471 -1.423 4.160 1.00 0.00 C ATOM 138 C ALA A 10 -25.337 -2.462 4.322 1.00 0.00 C ATOM 139 O ALA A 10 -24.579 -2.706 3.377 1.00 0.00 O ATOM 140 CB ALA A 10 -27.125 -1.492 2.774 1.00 0.00 C ATOM 0 H ALA A 10 -25.359 0.305 3.688 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.217 -1.679 4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.478 -2.506 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.968 -0.802 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.395 -1.217 2.013 1.00 0.00 H new ATOM 146 N PRO A 11 -25.115 -2.955 5.553 1.00 0.00 N ATOM 147 CA PRO A 11 -24.054 -3.938 5.848 1.00 0.00 C ATOM 148 C PRO A 11 -24.371 -5.344 5.327 1.00 0.00 C ATOM 149 O PRO A 11 -25.530 -5.721 5.173 1.00 0.00 O ATOM 150 CB PRO A 11 -23.910 -3.910 7.370 1.00 0.00 C ATOM 151 CG PRO A 11 -25.318 -3.564 7.853 1.00 0.00 C ATOM 152 CD PRO A 11 -25.830 -2.586 6.793 1.00 0.00 C ATOM 0 HA PRO A 11 -23.126 -3.678 5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -23.577 -4.872 7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.181 -3.166 7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -25.949 -4.451 7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -25.302 -3.110 8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -26.909 -2.671 6.666 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.623 -1.554 7.076 1.00 0.00 H new ATOM 160 N THR A 12 -23.307 -6.015 4.897 1.00 0.00 N ATOM 161 CA THR A 12 -23.375 -7.431 4.465 1.00 0.00 C ATOM 162 C THR A 12 -23.098 -8.392 5.637 1.00 0.00 C ATOM 163 O THR A 12 -24.015 -9.006 6.176 1.00 0.00 O ATOM 164 CB THR A 12 -22.392 -7.720 3.317 1.00 0.00 C ATOM 165 OG1 THR A 12 -22.193 -6.556 2.509 1.00 0.00 O ATOM 166 CG2 THR A 12 -22.898 -8.875 2.448 1.00 0.00 C ATOM 0 H THR A 12 -22.374 -5.608 4.834 1.00 0.00 H new ATOM 0 HA THR A 12 -24.390 -7.600 4.106 1.00 0.00 H new ATOM 0 HB THR A 12 -21.438 -8.004 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.563 -6.763 1.787 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.188 -9.062 1.643 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.999 -9.772 3.058 1.00 0.00 H new ATOM 0 HG23 THR A 12 -23.867 -8.613 2.024 1.00 0.00 H new ATOM 174 N ASN A 13 -21.826 -8.505 6.019 1.00 0.00 N ATOM 175 CA ASN A 13 -21.349 -9.468 7.032 1.00 0.00 C ATOM 176 C ASN A 13 -20.761 -8.772 8.277 1.00 0.00 C ATOM 177 O ASN A 13 -20.716 -7.542 8.350 1.00 0.00 O ATOM 178 CB ASN A 13 -20.313 -10.387 6.353 1.00 0.00 C ATOM 179 CG ASN A 13 -18.974 -9.718 6.001 1.00 0.00 C ATOM 180 OD1 ASN A 13 -18.805 -8.505 6.006 1.00 0.00 O ATOM 181 ND2 ASN A 13 -17.950 -10.524 5.838 1.00 0.00 N ATOM 0 H ASN A 13 -21.081 -7.925 5.632 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.191 -10.054 7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.116 -11.233 7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.751 -10.789 5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.013 -10.140 5.715 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.092 -11.534 5.834 1.00 0.00 H new ATOM 188 N ALA A 14 -20.180 -9.584 9.164 1.00 0.00 N ATOM 189 CA ALA A 14 -19.444 -9.118 10.358 1.00 0.00 C ATOM 190 C ALA A 14 -18.383 -8.047 10.045 1.00 0.00 C ATOM 191 O ALA A 14 -18.524 -6.931 10.533 1.00 0.00 O ATOM 192 CB ALA A 14 -18.797 -10.315 11.063 1.00 0.00 C ATOM 0 H ALA A 14 -20.204 -10.600 9.078 1.00 0.00 H new ATOM 0 HA ALA A 14 -20.173 -8.641 11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.255 -9.969 11.943 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.571 -11.020 11.367 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.105 -10.808 10.381 1.00 0.00 H new ATOM 198 N VAL A 15 -17.556 -8.297 9.025 1.00 0.00 N ATOM 199 CA VAL A 15 -16.509 -7.355 8.554 1.00 0.00 C ATOM 200 C VAL A 15 -17.136 -5.991 8.195 1.00 0.00 C ATOM 201 O VAL A 15 -16.883 -5.003 8.877 1.00 0.00 O ATOM 202 CB VAL A 15 -15.716 -7.962 7.374 1.00 0.00 C ATOM 203 CG1 VAL A 15 -14.640 -7.014 6.829 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.031 -9.270 7.785 1.00 0.00 C ATOM 0 H VAL A 15 -17.587 -9.165 8.491 1.00 0.00 H new ATOM 0 HA VAL A 15 -15.797 -7.184 9.362 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.452 -8.144 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.117 -7.495 6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.109 -6.095 6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.929 -6.777 7.620 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.481 -9.675 6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.341 -9.077 8.606 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -15.784 -9.990 8.106 1.00 0.00 H new ATOM 214 N GLU A 16 -18.122 -6.034 7.300 1.00 0.00 N ATOM 215 CA GLU A 16 -18.916 -4.861 6.877 1.00 0.00 C ATOM 216 C GLU A 16 -19.500 -4.055 8.053 1.00 0.00 C ATOM 217 O GLU A 16 -19.087 -2.918 8.275 1.00 0.00 O ATOM 218 CB GLU A 16 -20.029 -5.337 5.940 1.00 0.00 C ATOM 219 CG GLU A 16 -19.543 -5.515 4.498 1.00 0.00 C ATOM 220 CD GLU A 16 -19.880 -4.290 3.642 1.00 0.00 C ATOM 221 OE1 GLU A 16 -21.061 -3.875 3.694 1.00 0.00 O ATOM 222 OE2 GLU A 16 -18.955 -3.796 2.966 1.00 0.00 O ATOM 0 H GLU A 16 -18.404 -6.897 6.835 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.244 -4.175 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.428 -6.283 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.848 -4.618 5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.466 -5.680 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.003 -6.403 4.064 1.00 0.00 H new ATOM 229 N SER A 17 -20.283 -4.735 8.891 1.00 0.00 N ATOM 230 CA SER A 17 -20.979 -4.128 10.048 1.00 0.00 C ATOM 231 C SER A 17 -20.023 -3.598 11.134 1.00 0.00 C ATOM 232 O SER A 17 -19.962 -2.392 11.366 1.00 0.00 O ATOM 233 CB SER A 17 -21.971 -5.135 10.643 1.00 0.00 C ATOM 234 OG SER A 17 -22.730 -4.519 11.687 1.00 0.00 O ATOM 0 H SER A 17 -20.460 -5.735 8.793 1.00 0.00 H new ATOM 0 HA SER A 17 -21.514 -3.256 9.672 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.640 -5.502 9.864 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.434 -5.999 11.035 1.00 0.00 H new ATOM 0 HG SER A 17 -23.362 -5.169 12.059 1.00 0.00 H new ATOM 240 N LYS A 18 -19.134 -4.472 11.609 1.00 0.00 N ATOM 241 CA LYS A 18 -18.152 -4.160 12.669 1.00 0.00 C ATOM 242 C LYS A 18 -17.200 -3.030 12.247 1.00 0.00 C ATOM 243 O LYS A 18 -17.059 -2.048 12.973 1.00 0.00 O ATOM 244 CB LYS A 18 -17.376 -5.430 13.042 1.00 0.00 C ATOM 245 CG LYS A 18 -16.394 -5.206 14.196 1.00 0.00 C ATOM 246 CD LYS A 18 -15.632 -6.485 14.549 1.00 0.00 C ATOM 247 CE LYS A 18 -14.534 -6.227 15.586 1.00 0.00 C ATOM 248 NZ LYS A 18 -15.063 -5.707 16.858 1.00 0.00 N ATOM 0 H LYS A 18 -19.069 -5.431 11.269 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.692 -3.804 13.546 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.081 -6.214 13.318 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.829 -5.786 12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.685 -4.424 13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.937 -4.853 15.072 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.329 -7.228 14.936 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.188 -6.904 13.646 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.993 -7.154 15.774 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.815 -5.516 15.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.287 -5.615 17.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.497 -4.775 16.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.779 -6.363 17.230 1.00 0.00 H new ATOM 262 N LEU A 19 -16.667 -3.110 11.028 1.00 0.00 N ATOM 263 CA LEU A 19 -15.811 -2.039 10.485 1.00 0.00 C ATOM 264 C LEU A 19 -16.556 -0.714 10.282 1.00 0.00 C ATOM 265 O LEU A 19 -16.055 0.304 10.744 1.00 0.00 O ATOM 266 CB LEU A 19 -15.082 -2.464 9.205 1.00 0.00 C ATOM 267 CG LEU A 19 -13.747 -3.211 9.376 1.00 0.00 C ATOM 268 CD1 LEU A 19 -12.699 -2.325 10.051 1.00 0.00 C ATOM 269 CD2 LEU A 19 -13.892 -4.553 10.101 1.00 0.00 C ATOM 0 H LEU A 19 -16.808 -3.898 10.396 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.056 -1.861 11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.754 -3.099 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.896 -1.571 8.608 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.401 -3.447 8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.767 -2.880 10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.525 -1.438 9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.057 -2.024 11.036 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.914 -5.027 10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.304 -4.386 11.096 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.561 -5.202 9.535 1.00 0.00 H new ATOM 281 N ALA A 20 -17.795 -0.754 9.787 1.00 0.00 N ATOM 282 CA ALA A 20 -18.662 0.447 9.707 1.00 0.00 C ATOM 283 C ALA A 20 -18.904 1.091 11.087 1.00 0.00 C ATOM 284 O ALA A 20 -18.826 2.313 11.224 1.00 0.00 O ATOM 285 CB ALA A 20 -19.999 0.102 9.046 1.00 0.00 C ATOM 0 H ALA A 20 -18.231 -1.605 9.431 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.134 1.178 9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.621 0.995 8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.821 -0.273 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.508 -0.663 9.632 1.00 0.00 H new ATOM 291 N GLU A 21 -19.085 0.242 12.101 1.00 0.00 N ATOM 292 CA GLU A 21 -19.125 0.632 13.526 1.00 0.00 C ATOM 293 C GLU A 21 -17.811 1.308 13.965 1.00 0.00 C ATOM 294 O GLU A 21 -17.833 2.481 14.340 1.00 0.00 O ATOM 295 CB GLU A 21 -19.443 -0.615 14.364 1.00 0.00 C ATOM 296 CG GLU A 21 -19.592 -0.341 15.866 1.00 0.00 C ATOM 297 CD GLU A 21 -19.726 -1.632 16.684 1.00 0.00 C ATOM 298 OE1 GLU A 21 -18.939 -2.572 16.431 1.00 0.00 O ATOM 299 OE2 GLU A 21 -20.570 -1.622 17.606 1.00 0.00 O ATOM 0 H GLU A 21 -19.211 -0.760 11.959 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.908 1.374 13.682 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.366 -1.062 13.994 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.651 -1.350 14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.727 0.221 16.218 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.468 0.285 16.033 1.00 0.00 H new ATOM 306 N ILE A 22 -16.683 0.623 13.750 1.00 0.00 N ATOM 307 CA ILE A 22 -15.318 1.135 14.029 1.00 0.00 C ATOM 308 C ILE A 22 -15.102 2.502 13.349 1.00 0.00 C ATOM 309 O ILE A 22 -14.813 3.479 14.038 1.00 0.00 O ATOM 310 CB ILE A 22 -14.253 0.089 13.617 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.407 -1.181 14.470 1.00 0.00 C ATOM 312 CG2 ILE A 22 -12.820 0.639 13.741 1.00 0.00 C ATOM 313 CD1 ILE A 22 -13.707 -2.419 13.893 1.00 0.00 C ATOM 0 H ILE A 22 -16.683 -0.323 13.369 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.208 1.295 15.102 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.419 -0.152 12.567 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.011 -0.985 15.466 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.468 -1.400 14.586 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.108 -0.130 13.441 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.707 1.510 13.095 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.629 0.927 14.775 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -13.866 -3.269 14.556 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.119 -2.644 12.909 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.638 -2.224 13.803 1.00 0.00 H new ATOM 325 N TRP A 23 -15.425 2.576 12.058 1.00 0.00 N ATOM 326 CA TRP A 23 -15.395 3.816 11.260 1.00 0.00 C ATOM 327 C TRP A 23 -16.215 4.936 11.912 1.00 0.00 C ATOM 328 O TRP A 23 -15.616 5.789 12.562 1.00 0.00 O ATOM 329 CB TRP A 23 -15.858 3.561 9.817 1.00 0.00 C ATOM 330 CG TRP A 23 -14.892 2.711 8.986 1.00 0.00 C ATOM 331 CD1 TRP A 23 -15.233 1.626 8.292 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.506 2.800 8.946 1.00 0.00 C ATOM 333 NE1 TRP A 23 -14.137 1.003 7.861 1.00 0.00 N ATOM 334 CE2 TRP A 23 -13.065 1.689 8.244 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.602 3.776 9.348 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.713 1.534 7.967 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -11.253 3.637 9.049 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.810 2.511 8.365 1.00 0.00 C ATOM 0 H TRP A 23 -15.722 1.762 11.520 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.358 4.151 11.227 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.829 3.067 9.841 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -16.001 4.520 9.319 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.246 1.300 8.107 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -14.123 0.137 7.322 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.948 4.642 9.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.365 0.656 7.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.550 4.401 9.347 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.760 2.396 8.142 1.00 0.00 H new ATOM 349 N GLU A 24 -17.535 4.759 12.013 1.00 0.00 N ATOM 350 CA GLU A 24 -18.444 5.787 12.572 1.00 0.00 C ATOM 351 C GLU A 24 -18.130 6.249 14.006 1.00 0.00 C ATOM 352 O GLU A 24 -18.515 7.355 14.390 1.00 0.00 O ATOM 353 CB GLU A 24 -19.914 5.368 12.416 1.00 0.00 C ATOM 354 CG GLU A 24 -20.380 4.158 13.236 1.00 0.00 C ATOM 355 CD GLU A 24 -21.628 3.479 12.651 1.00 0.00 C ATOM 356 OE1 GLU A 24 -22.381 4.156 11.912 1.00 0.00 O ATOM 357 OE2 GLU A 24 -21.786 2.271 12.929 1.00 0.00 O ATOM 0 H GLU A 24 -18.010 3.908 11.714 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.258 6.675 11.968 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.540 6.220 12.682 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.096 5.155 11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.570 3.431 13.292 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.592 4.478 14.256 1.00 0.00 H new ATOM 364 N ARG A 25 -17.550 5.344 14.793 1.00 0.00 N ATOM 365 CA ARG A 25 -17.006 5.609 16.137 1.00 0.00 C ATOM 366 C ARG A 25 -15.694 6.423 16.078 1.00 0.00 C ATOM 367 O ARG A 25 -15.695 7.619 16.365 1.00 0.00 O ATOM 368 CB ARG A 25 -16.818 4.246 16.816 1.00 0.00 C ATOM 369 CG ARG A 25 -16.653 4.315 18.332 1.00 0.00 C ATOM 370 CD ARG A 25 -16.423 2.900 18.868 1.00 0.00 C ATOM 371 NE ARG A 25 -16.429 2.900 20.340 1.00 0.00 N ATOM 372 CZ ARG A 25 -15.871 1.982 21.135 1.00 0.00 C ATOM 373 NH1 ARG A 25 -15.106 1.005 20.665 1.00 0.00 N ATOM 374 NH2 ARG A 25 -16.002 2.083 22.448 1.00 0.00 N ATOM 0 H ARG A 25 -17.439 4.371 14.509 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.693 6.226 16.716 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.677 3.617 16.584 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.942 3.759 16.389 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.812 4.958 18.591 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.541 4.752 18.789 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.200 2.233 18.495 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.471 2.516 18.502 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.906 3.677 20.798 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.926 0.935 19.663 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -14.698 0.324 21.305 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.527 2.859 22.850 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.578 1.384 23.058 1.00 0.00 H new ATOM 388 N VAL A 26 -14.634 5.818 15.537 1.00 0.00 N ATOM 389 CA VAL A 26 -13.260 6.378 15.511 1.00 0.00 C ATOM 390 C VAL A 26 -13.137 7.661 14.655 1.00 0.00 C ATOM 391 O VAL A 26 -12.457 8.603 15.056 1.00 0.00 O ATOM 392 CB VAL A 26 -12.239 5.287 15.104 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.789 5.787 15.132 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.316 4.068 16.034 1.00 0.00 C ATOM 0 H VAL A 26 -14.698 4.903 15.091 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.022 6.699 16.525 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.510 5.015 14.084 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.120 4.979 14.838 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.678 6.621 14.439 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.537 6.118 16.140 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.586 3.323 15.718 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.101 4.377 17.057 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.316 3.638 15.988 1.00 0.00 H new ATOM 404 N LEU A 27 -13.889 7.720 13.556 1.00 0.00 N ATOM 405 CA LEU A 27 -14.022 8.896 12.661 1.00 0.00 C ATOM 406 C LEU A 27 -14.566 10.164 13.361 1.00 0.00 C ATOM 407 O LEU A 27 -14.416 11.272 12.848 1.00 0.00 O ATOM 408 CB LEU A 27 -14.877 8.429 11.472 1.00 0.00 C ATOM 409 CG LEU A 27 -15.347 9.432 10.415 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.529 8.687 9.092 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.708 10.018 10.802 1.00 0.00 C ATOM 0 H LEU A 27 -14.448 6.926 13.243 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.041 9.228 12.323 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.312 7.655 10.953 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.767 7.953 11.883 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.610 10.231 10.333 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.864 9.385 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.580 8.244 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.273 7.900 9.217 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.028 10.729 10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.441 9.215 10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.625 10.528 11.762 1.00 0.00 H new ATOM 423 N GLY A 28 -15.211 9.955 14.517 1.00 0.00 N ATOM 424 CA GLY A 28 -15.791 11.028 15.349 1.00 0.00 C ATOM 425 C GLY A 28 -17.276 10.769 15.627 1.00 0.00 C ATOM 426 O GLY A 28 -18.138 11.424 15.044 1.00 0.00 O ATOM 0 H GLY A 28 -15.349 9.024 14.909 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.248 11.095 16.292 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.674 11.987 14.844 1.00 0.00 H new ATOM 430 N VAL A 29 -17.502 9.768 16.480 1.00 0.00 N ATOM 431 CA VAL A 29 -18.802 9.228 16.946 1.00 0.00 C ATOM 432 C VAL A 29 -20.062 9.902 16.358 1.00 0.00 C ATOM 433 O VAL A 29 -20.644 10.834 16.906 1.00 0.00 O ATOM 434 CB VAL A 29 -18.769 9.070 18.483 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.658 10.391 19.256 1.00 0.00 C ATOM 436 CG2 VAL A 29 -19.923 8.198 18.992 1.00 0.00 C ATOM 0 H VAL A 29 -16.722 9.265 16.904 1.00 0.00 H new ATOM 0 HA VAL A 29 -18.920 8.232 16.519 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.837 8.546 18.694 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.641 10.186 20.326 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.739 10.904 18.970 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.514 11.023 19.021 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.863 8.112 20.077 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -20.873 8.655 18.716 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.854 7.206 18.545 1.00 0.00 H new ATOM 446 N SER A 30 -20.374 9.423 15.159 1.00 0.00 N ATOM 447 CA SER A 30 -21.422 10.001 14.292 1.00 0.00 C ATOM 448 C SER A 30 -22.525 9.017 13.867 1.00 0.00 C ATOM 449 O SER A 30 -23.545 8.911 14.542 1.00 0.00 O ATOM 450 CB SER A 30 -20.782 10.688 13.076 1.00 0.00 C ATOM 451 OG SER A 30 -20.189 11.938 13.431 1.00 0.00 O ATOM 0 H SER A 30 -19.908 8.614 14.747 1.00 0.00 H new ATOM 0 HA SER A 30 -21.940 10.741 14.902 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.024 10.034 12.645 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.539 10.848 12.308 1.00 0.00 H new ATOM 0 HG SER A 30 -19.583 11.809 14.190 1.00 0.00 H new ATOM 457 N GLY A 31 -22.236 8.215 12.830 1.00 0.00 N ATOM 458 CA GLY A 31 -23.232 7.343 12.173 1.00 0.00 C ATOM 459 C GLY A 31 -23.106 7.476 10.651 1.00 0.00 C ATOM 460 O GLY A 31 -23.534 8.466 10.058 1.00 0.00 O ATOM 0 H GLY A 31 -21.304 8.150 12.420 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -23.076 6.306 12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -24.238 7.619 12.490 1.00 0.00 H new ATOM 464 N ILE A 32 -22.374 6.529 10.071 1.00 0.00 N ATOM 465 CA ILE A 32 -21.997 6.596 8.641 1.00 0.00 C ATOM 466 C ILE A 32 -22.435 5.341 7.861 1.00 0.00 C ATOM 467 O ILE A 32 -22.876 4.357 8.453 1.00 0.00 O ATOM 468 CB ILE A 32 -20.501 6.918 8.411 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.563 5.790 8.866 1.00 0.00 C ATOM 470 CG2 ILE A 32 -20.132 8.269 9.042 1.00 0.00 C ATOM 471 CD1 ILE A 32 -18.209 5.833 8.150 1.00 0.00 C ATOM 0 H ILE A 32 -22.025 5.703 10.558 1.00 0.00 H new ATOM 0 HA ILE A 32 -22.553 7.442 8.237 1.00 0.00 H new ATOM 0 HB ILE A 32 -20.355 6.997 7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.405 5.864 9.942 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -20.039 4.827 8.680 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -19.076 8.475 8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.735 9.058 8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.323 8.234 10.115 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.583 5.015 8.507 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -18.362 5.731 7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.718 6.784 8.358 1.00 0.00 H new ATOM 483 N GLY A 33 -22.070 5.331 6.573 1.00 0.00 N ATOM 484 CA GLY A 33 -22.488 4.291 5.616 1.00 0.00 C ATOM 485 C GLY A 33 -21.325 3.413 5.144 1.00 0.00 C ATOM 486 O GLY A 33 -20.158 3.793 5.224 1.00 0.00 O ATOM 0 H GLY A 33 -21.473 6.047 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.247 3.661 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.953 4.765 4.752 1.00 0.00 H new ATOM 490 N ILE A 34 -21.708 2.304 4.522 1.00 0.00 N ATOM 491 CA ILE A 34 -20.793 1.321 3.889 1.00 0.00 C ATOM 492 C ILE A 34 -19.856 1.976 2.850 1.00 0.00 C ATOM 493 O ILE A 34 -18.648 1.752 2.862 1.00 0.00 O ATOM 494 CB ILE A 34 -21.666 0.185 3.305 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.472 -0.536 4.402 1.00 0.00 C ATOM 496 CG2 ILE A 34 -20.928 -0.803 2.388 1.00 0.00 C ATOM 497 CD1 ILE A 34 -21.683 -1.124 5.582 1.00 0.00 C ATOM 0 H ILE A 34 -22.690 2.043 4.434 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.111 0.903 4.630 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.367 0.692 2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.203 0.167 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.032 -1.345 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.627 -1.560 2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.509 -0.266 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.124 -1.285 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.372 -1.602 6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.971 -1.862 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.145 -0.326 6.094 1.00 0.00 H new ATOM 509 N LEU A 35 -20.453 2.826 2.015 1.00 0.00 N ATOM 510 CA LEU A 35 -19.770 3.720 1.053 1.00 0.00 C ATOM 511 C LEU A 35 -18.820 4.751 1.703 1.00 0.00 C ATOM 512 O LEU A 35 -17.948 5.305 1.036 1.00 0.00 O ATOM 513 CB LEU A 35 -20.879 4.423 0.256 1.00 0.00 C ATOM 514 CG LEU A 35 -20.420 5.432 -0.806 1.00 0.00 C ATOM 515 CD1 LEU A 35 -19.775 4.737 -2.008 1.00 0.00 C ATOM 516 CD2 LEU A 35 -21.598 6.307 -1.234 1.00 0.00 C ATOM 0 H LEU A 35 -21.468 2.922 1.981 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.116 3.121 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.483 3.660 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -21.531 4.940 0.960 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.653 6.069 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.464 5.485 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.905 4.169 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.496 4.061 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -21.266 7.021 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.385 5.679 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -21.984 6.846 -0.369 1.00 0.00 H new ATOM 528 N ASP A 36 -18.998 4.981 3.006 1.00 0.00 N ATOM 529 CA ASP A 36 -18.344 6.044 3.803 1.00 0.00 C ATOM 530 C ASP A 36 -18.701 7.437 3.239 1.00 0.00 C ATOM 531 O ASP A 36 -19.771 7.599 2.650 1.00 0.00 O ATOM 532 CB ASP A 36 -16.828 5.770 3.877 1.00 0.00 C ATOM 533 CG ASP A 36 -16.498 4.426 4.542 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.361 4.441 5.783 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.438 3.408 3.817 1.00 0.00 O ATOM 0 H ASP A 36 -19.629 4.410 3.568 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.716 6.036 4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.411 5.784 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -16.345 6.574 4.433 1.00 0.00 H new ATOM 540 N ASN A 37 -17.936 8.453 3.638 1.00 0.00 N ATOM 541 CA ASN A 37 -17.949 9.772 2.968 1.00 0.00 C ATOM 542 C ASN A 37 -16.641 10.002 2.172 1.00 0.00 C ATOM 543 O ASN A 37 -16.247 11.135 1.910 1.00 0.00 O ATOM 544 CB ASN A 37 -18.171 10.833 4.058 1.00 0.00 C ATOM 545 CG ASN A 37 -18.452 12.246 3.529 1.00 0.00 C ATOM 546 OD1 ASN A 37 -17.619 13.197 3.894 1.00 0.00 O flip ATOM 547 ND2 ASN A 37 -19.370 12.500 2.764 1.00 0.00 N flip ATOM 0 H ASN A 37 -17.292 8.396 4.427 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.753 9.832 2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -19.007 10.521 4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.289 10.868 4.697 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -20.016 11.763 2.480 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -19.490 13.449 2.409 1.00 0.00 H new ATOM 554 N PHE A 38 -15.983 8.892 1.817 1.00 0.00 N ATOM 555 CA PHE A 38 -14.708 8.763 1.067 1.00 0.00 C ATOM 556 C PHE A 38 -13.547 9.770 1.262 1.00 0.00 C ATOM 557 O PHE A 38 -12.563 9.756 0.524 1.00 0.00 O ATOM 558 CB PHE A 38 -15.019 8.538 -0.422 1.00 0.00 C ATOM 559 CG PHE A 38 -15.816 9.671 -1.072 1.00 0.00 C ATOM 560 CD1 PHE A 38 -15.151 10.762 -1.616 1.00 0.00 C ATOM 561 CD2 PHE A 38 -17.202 9.599 -1.123 1.00 0.00 C ATOM 562 CE1 PHE A 38 -15.875 11.786 -2.211 1.00 0.00 C ATOM 563 CE2 PHE A 38 -17.927 10.627 -1.712 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.264 11.720 -2.257 1.00 0.00 C ATOM 0 H PHE A 38 -16.354 7.975 2.065 1.00 0.00 H new ATOM 0 HA PHE A 38 -14.254 7.903 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.081 8.411 -0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.577 7.608 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.073 10.814 -1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.715 8.745 -0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.360 12.634 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -19.005 10.577 -1.746 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.827 12.519 -2.717 1.00 0.00 H new ATOM 574 N PHE A 39 -13.620 10.534 2.348 1.00 0.00 N ATOM 575 CA PHE A 39 -12.612 11.547 2.714 1.00 0.00 C ATOM 576 C PHE A 39 -11.971 11.243 4.086 1.00 0.00 C ATOM 577 O PHE A 39 -10.925 10.597 4.166 1.00 0.00 O ATOM 578 CB PHE A 39 -13.343 12.898 2.646 1.00 0.00 C ATOM 579 CG PHE A 39 -12.466 14.136 2.838 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.878 14.729 1.728 1.00 0.00 C ATOM 581 CD2 PHE A 39 -12.465 14.800 4.060 1.00 0.00 C ATOM 582 CE1 PHE A 39 -11.311 15.994 1.831 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.894 16.063 4.164 1.00 0.00 C ATOM 584 CZ PHE A 39 -11.322 16.663 3.049 1.00 0.00 C ATOM 0 H PHE A 39 -14.390 10.472 3.014 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.761 11.553 2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.840 12.973 1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -14.124 12.907 3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.861 14.206 0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.908 14.334 4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.862 16.457 0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.895 16.579 5.113 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.886 17.648 3.129 1.00 0.00 H new ATOM 594 N GLN A 40 -12.722 11.530 5.148 1.00 0.00 N ATOM 595 CA GLN A 40 -12.321 11.423 6.567 1.00 0.00 C ATOM 596 C GLN A 40 -12.213 10.001 7.171 1.00 0.00 C ATOM 597 O GLN A 40 -12.340 9.808 8.378 1.00 0.00 O ATOM 598 CB GLN A 40 -13.204 12.363 7.417 1.00 0.00 C ATOM 599 CG GLN A 40 -14.697 12.008 7.554 1.00 0.00 C ATOM 600 CD GLN A 40 -15.619 12.367 6.381 1.00 0.00 C ATOM 601 OE1 GLN A 40 -15.268 12.372 5.208 1.00 0.00 O ATOM 602 NE2 GLN A 40 -16.871 12.621 6.683 1.00 0.00 N ATOM 0 H GLN A 40 -13.681 11.862 5.046 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.279 11.743 6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.777 12.411 8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.134 13.365 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.773 10.934 7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.080 12.502 8.447 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -17.171 12.619 7.658 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.544 12.821 5.943 1.00 0.00 H new ATOM 611 N ILE A 41 -11.844 9.036 6.330 1.00 0.00 N ATOM 612 CA ILE A 41 -11.576 7.641 6.757 1.00 0.00 C ATOM 613 C ILE A 41 -10.071 7.311 6.761 1.00 0.00 C ATOM 614 O ILE A 41 -9.594 6.591 7.636 1.00 0.00 O ATOM 615 CB ILE A 41 -12.376 6.557 5.993 1.00 0.00 C ATOM 616 CG1 ILE A 41 -11.999 6.305 4.518 1.00 0.00 C ATOM 617 CG2 ILE A 41 -13.882 6.733 6.211 1.00 0.00 C ATOM 618 CD1 ILE A 41 -12.121 7.480 3.540 1.00 0.00 C ATOM 0 H ILE A 41 -11.719 9.188 5.329 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.944 7.606 7.782 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.057 5.622 6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.968 5.952 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.624 5.493 4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.422 5.960 5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.108 6.650 7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.190 7.714 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.823 7.156 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.154 7.827 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.472 8.293 3.866 1.00 0.00 H new ATOM 630 N GLY A 42 -9.361 7.847 5.754 1.00 0.00 N ATOM 631 CA GLY A 42 -7.889 7.770 5.655 1.00 0.00 C ATOM 632 C GLY A 42 -7.163 8.495 6.798 1.00 0.00 C ATOM 633 O GLY A 42 -6.258 7.937 7.419 1.00 0.00 O ATOM 0 H GLY A 42 -9.793 8.350 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.587 6.723 5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.573 8.199 4.704 1.00 0.00 H new ATOM 637 N GLY A 43 -7.519 9.780 6.934 1.00 0.00 N ATOM 638 CA GLY A 43 -7.037 10.672 8.009 1.00 0.00 C ATOM 639 C GLY A 43 -5.525 10.946 7.992 1.00 0.00 C ATOM 640 O GLY A 43 -4.715 10.101 8.373 1.00 0.00 O ATOM 0 H GLY A 43 -8.162 10.241 6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.565 11.623 7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.301 10.233 8.971 1.00 0.00 H new ATOM 644 N HIS A 44 -5.210 12.215 7.733 1.00 0.00 N ATOM 645 CA HIS A 44 -3.827 12.743 7.682 1.00 0.00 C ATOM 646 C HIS A 44 -3.236 12.993 9.088 1.00 0.00 C ATOM 647 O HIS A 44 -2.892 14.109 9.481 1.00 0.00 O ATOM 648 CB HIS A 44 -3.784 13.978 6.758 1.00 0.00 C ATOM 649 CG HIS A 44 -4.609 15.188 7.225 1.00 0.00 C ATOM 650 ND1 HIS A 44 -5.937 15.279 7.249 1.00 0.00 N flip ATOM 651 CD2 HIS A 44 -4.117 16.308 7.752 1.00 0.00 C flip ATOM 652 CE1 HIS A 44 -6.265 16.436 7.809 1.00 0.00 C flip ATOM 653 NE2 HIS A 44 -5.139 17.076 8.117 1.00 0.00 N flip ATOM 0 H HIS A 44 -5.916 12.927 7.548 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.173 11.986 7.250 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.746 14.290 6.647 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.135 13.682 5.769 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.070 16.550 7.863 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.268 16.795 7.984 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.072 17.994 8.556 1.00 0.00 H new ATOM 662 N SER A 45 -3.181 11.896 9.842 1.00 0.00 N ATOM 663 CA SER A 45 -2.790 11.792 11.268 1.00 0.00 C ATOM 664 C SER A 45 -2.747 10.311 11.707 1.00 0.00 C ATOM 665 O SER A 45 -2.702 9.420 10.858 1.00 0.00 O ATOM 666 CB SER A 45 -3.769 12.591 12.147 1.00 0.00 C ATOM 667 OG SER A 45 -3.441 13.978 12.099 1.00 0.00 O ATOM 0 H SER A 45 -3.424 10.984 9.455 1.00 0.00 H new ATOM 0 HA SER A 45 -1.793 12.214 11.390 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.791 12.438 11.801 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.724 12.233 13.175 1.00 0.00 H new ATOM 0 HG SER A 45 -2.949 14.169 11.273 1.00 0.00 H new ATOM 673 N LEU A 46 -2.870 10.053 13.013 1.00 0.00 N ATOM 674 CA LEU A 46 -2.873 8.699 13.617 1.00 0.00 C ATOM 675 C LEU A 46 -3.895 7.687 13.056 1.00 0.00 C ATOM 676 O LEU A 46 -3.735 6.485 13.261 1.00 0.00 O ATOM 677 CB LEU A 46 -2.989 8.762 15.149 1.00 0.00 C ATOM 678 CG LEU A 46 -4.338 9.249 15.700 1.00 0.00 C ATOM 679 CD1 LEU A 46 -4.537 8.682 17.106 1.00 0.00 C ATOM 680 CD2 LEU A 46 -4.403 10.778 15.772 1.00 0.00 C ATOM 0 H LEU A 46 -2.974 10.795 13.706 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.902 8.304 13.319 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.792 7.768 15.550 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.206 9.419 15.527 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.121 8.905 15.025 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.493 9.023 17.504 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.530 7.593 17.063 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.731 9.025 17.754 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.372 11.083 16.167 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.613 11.145 16.427 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.270 11.195 14.774 1.00 0.00 H new ATOM 692 N LYS A 47 -4.918 8.176 12.351 1.00 0.00 N ATOM 693 CA LYS A 47 -5.910 7.343 11.637 1.00 0.00 C ATOM 694 C LYS A 47 -5.268 6.213 10.816 1.00 0.00 C ATOM 695 O LYS A 47 -5.459 5.051 11.165 1.00 0.00 O ATOM 696 CB LYS A 47 -6.770 8.223 10.727 1.00 0.00 C ATOM 697 CG LYS A 47 -8.203 8.394 11.237 1.00 0.00 C ATOM 698 CD LYS A 47 -9.017 7.103 11.104 1.00 0.00 C ATOM 699 CE LYS A 47 -10.443 7.308 11.613 1.00 0.00 C ATOM 700 NZ LYS A 47 -11.216 6.062 11.521 1.00 0.00 N ATOM 0 H LYS A 47 -5.090 9.177 12.254 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.530 6.868 12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.304 9.204 10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.796 7.787 9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.181 8.703 12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.694 9.191 10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.040 6.788 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.536 6.304 11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.419 7.650 12.648 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.933 8.088 11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.171 6.217 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.285 5.769 10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.740 5.317 12.069 1.00 0.00 H new ATOM 714 N ALA A 48 -4.306 6.567 9.961 1.00 0.00 N ATOM 715 CA ALA A 48 -3.504 5.593 9.187 1.00 0.00 C ATOM 716 C ALA A 48 -2.831 4.499 10.043 1.00 0.00 C ATOM 717 O ALA A 48 -2.910 3.323 9.694 1.00 0.00 O ATOM 718 CB ALA A 48 -2.453 6.343 8.366 1.00 0.00 C ATOM 0 H ALA A 48 -4.054 7.538 9.779 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.202 5.065 8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.860 5.629 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.949 7.032 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.800 6.903 9.035 1.00 0.00 H new ATOM 724 N MET A 49 -2.342 4.877 11.225 1.00 0.00 N ATOM 725 CA MET A 49 -1.740 3.955 12.217 1.00 0.00 C ATOM 726 C MET A 49 -2.776 3.008 12.853 1.00 0.00 C ATOM 727 O MET A 49 -2.597 1.791 12.847 1.00 0.00 O ATOM 728 CB MET A 49 -1.021 4.738 13.325 1.00 0.00 C ATOM 729 CG MET A 49 0.167 5.562 12.818 1.00 0.00 C ATOM 730 SD MET A 49 1.518 4.546 12.115 1.00 0.00 S ATOM 731 CE MET A 49 2.688 5.830 11.731 1.00 0.00 C ATOM 0 H MET A 49 -2.349 5.849 11.535 1.00 0.00 H new ATOM 0 HA MET A 49 -1.021 3.345 11.669 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.735 5.404 13.810 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.671 4.039 14.084 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.184 6.260 12.058 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.562 6.158 13.641 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.581 5.388 11.290 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.242 6.529 11.024 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.958 6.361 12.644 1.00 0.00 H new ATOM 741 N ALA A 50 -3.893 3.577 13.307 1.00 0.00 N ATOM 742 CA ALA A 50 -5.049 2.819 13.838 1.00 0.00 C ATOM 743 C ALA A 50 -5.653 1.859 12.795 1.00 0.00 C ATOM 744 O ALA A 50 -6.038 0.731 13.110 1.00 0.00 O ATOM 745 CB ALA A 50 -6.114 3.803 14.332 1.00 0.00 C ATOM 0 H ALA A 50 -4.032 4.587 13.321 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.694 2.203 14.664 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.967 3.249 14.724 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.694 4.428 15.120 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.440 4.433 13.504 1.00 0.00 H new ATOM 751 N VAL A 51 -5.700 2.326 11.547 1.00 0.00 N ATOM 752 CA VAL A 51 -6.072 1.512 10.370 1.00 0.00 C ATOM 753 C VAL A 51 -5.040 0.388 10.156 1.00 0.00 C ATOM 754 O VAL A 51 -5.417 -0.778 10.182 1.00 0.00 O ATOM 755 CB VAL A 51 -6.264 2.395 9.120 1.00 0.00 C ATOM 756 CG1 VAL A 51 -6.648 1.568 7.888 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.368 3.435 9.341 1.00 0.00 C ATOM 0 H VAL A 51 -5.479 3.294 11.313 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.035 1.036 10.555 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.306 2.886 8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.773 2.229 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.861 0.844 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.583 1.042 8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.480 4.043 8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.308 2.927 9.556 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.101 4.076 10.182 1.00 0.00 H new ATOM 767 N ALA A 52 -3.750 0.723 10.138 1.00 0.00 N ATOM 768 CA ALA A 52 -2.651 -0.263 10.043 1.00 0.00 C ATOM 769 C ALA A 52 -2.746 -1.371 11.108 1.00 0.00 C ATOM 770 O ALA A 52 -2.669 -2.549 10.764 1.00 0.00 O ATOM 771 CB ALA A 52 -1.294 0.440 10.148 1.00 0.00 C ATOM 0 H ALA A 52 -3.427 1.689 10.189 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.747 -0.742 9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.495 -0.298 10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.195 1.162 9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.225 0.957 11.105 1.00 0.00 H new ATOM 777 N ALA A 53 -3.110 -0.986 12.333 1.00 0.00 N ATOM 778 CA ALA A 53 -3.393 -1.922 13.441 1.00 0.00 C ATOM 779 C ALA A 53 -4.481 -2.956 13.089 1.00 0.00 C ATOM 780 O ALA A 53 -4.177 -4.144 13.014 1.00 0.00 O ATOM 781 CB ALA A 53 -3.764 -1.135 14.702 1.00 0.00 C ATOM 0 H ALA A 53 -3.220 -0.006 12.594 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.484 -2.494 13.627 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.972 -1.829 15.516 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.935 -0.485 14.982 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.649 -0.530 14.506 1.00 0.00 H new ATOM 787 N GLN A 54 -5.673 -2.489 12.708 1.00 0.00 N ATOM 788 CA GLN A 54 -6.785 -3.370 12.276 1.00 0.00 C ATOM 789 C GLN A 54 -6.520 -4.134 10.962 1.00 0.00 C ATOM 790 O GLN A 54 -6.775 -5.334 10.882 1.00 0.00 O ATOM 791 CB GLN A 54 -8.125 -2.613 12.279 1.00 0.00 C ATOM 792 CG GLN A 54 -8.198 -1.424 11.315 1.00 0.00 C ATOM 793 CD GLN A 54 -9.286 -0.423 11.708 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.423 -0.469 11.268 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.926 0.544 12.523 1.00 0.00 N ATOM 0 H GLN A 54 -5.904 -1.496 12.687 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.853 -4.161 13.023 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.922 -3.314 12.029 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.321 -2.255 13.290 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.233 -0.918 11.292 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.390 -1.789 10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.974 0.576 12.887 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.599 1.262 12.791 1.00 0.00 H new ATOM 804 N VAL A 55 -5.843 -3.481 10.017 1.00 0.00 N ATOM 805 CA VAL A 55 -5.388 -4.089 8.745 1.00 0.00 C ATOM 806 C VAL A 55 -4.345 -5.211 8.970 1.00 0.00 C ATOM 807 O VAL A 55 -4.219 -6.130 8.160 1.00 0.00 O ATOM 808 CB VAL A 55 -4.942 -2.994 7.746 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.462 -3.558 6.407 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.109 -2.063 7.408 1.00 0.00 C ATOM 0 H VAL A 55 -5.586 -2.498 10.106 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.234 -4.597 8.282 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.124 -2.475 8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.164 -2.739 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.610 -4.217 6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.270 -4.121 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.774 -1.301 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.917 -2.641 6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.468 -1.584 8.319 1.00 0.00 H new ATOM 820 N HIS A 56 -3.571 -5.093 10.046 1.00 0.00 N ATOM 821 CA HIS A 56 -2.698 -6.179 10.524 1.00 0.00 C ATOM 822 C HIS A 56 -3.490 -7.233 11.327 1.00 0.00 C ATOM 823 O HIS A 56 -3.836 -8.271 10.778 1.00 0.00 O ATOM 824 CB HIS A 56 -1.529 -5.587 11.324 1.00 0.00 C ATOM 825 CG HIS A 56 -0.234 -6.415 11.300 1.00 0.00 C ATOM 826 ND1 HIS A 56 0.918 -6.017 11.834 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.005 -7.547 10.636 1.00 0.00 C ATOM 828 CE1 HIS A 56 1.862 -6.893 11.502 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.297 -7.833 10.753 1.00 0.00 N ATOM 0 H HIS A 56 -3.526 -4.247 10.614 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.285 -6.707 9.664 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.312 -4.591 10.937 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.844 -5.464 12.360 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.726 -8.131 10.096 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.902 -6.848 11.790 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.772 -8.635 10.339 1.00 0.00 H new ATOM 838 N ARG A 57 -3.995 -6.870 12.506 1.00 0.00 N ATOM 839 CA ARG A 57 -4.622 -7.830 13.445 1.00 0.00 C ATOM 840 C ARG A 57 -5.932 -8.510 12.990 1.00 0.00 C ATOM 841 O ARG A 57 -6.229 -9.623 13.418 1.00 0.00 O ATOM 842 CB ARG A 57 -4.777 -7.201 14.842 1.00 0.00 C ATOM 843 CG ARG A 57 -5.872 -6.131 14.972 1.00 0.00 C ATOM 844 CD ARG A 57 -7.027 -6.571 15.885 1.00 0.00 C ATOM 845 NE ARG A 57 -7.697 -7.783 15.372 1.00 0.00 N ATOM 846 CZ ARG A 57 -8.743 -8.417 15.901 1.00 0.00 C ATOM 847 NH1 ARG A 57 -9.130 -8.221 17.153 1.00 0.00 N ATOM 848 NH2 ARG A 57 -9.238 -9.467 15.264 1.00 0.00 N ATOM 0 H ARG A 57 -3.986 -5.908 12.846 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.915 -8.659 13.473 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.985 -7.996 15.558 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.824 -6.756 15.128 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.433 -5.214 15.365 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.265 -5.898 13.983 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.645 -6.763 16.888 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.753 -5.762 15.969 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.315 -8.181 14.514 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.622 -7.566 17.747 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.936 -8.725 17.522 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.819 -9.775 14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.038 -9.967 15.651 1.00 0.00 H new ATOM 862 N GLU A 58 -6.774 -7.774 12.267 1.00 0.00 N ATOM 863 CA GLU A 58 -8.123 -8.232 11.864 1.00 0.00 C ATOM 864 C GLU A 58 -8.220 -8.567 10.363 1.00 0.00 C ATOM 865 O GLU A 58 -9.082 -9.344 9.957 1.00 0.00 O ATOM 866 CB GLU A 58 -9.134 -7.137 12.233 1.00 0.00 C ATOM 867 CG GLU A 58 -10.568 -7.670 12.361 1.00 0.00 C ATOM 868 CD GLU A 58 -11.623 -6.589 12.637 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.281 -5.551 13.249 1.00 0.00 O ATOM 870 OE2 GLU A 58 -12.770 -6.817 12.196 1.00 0.00 O ATOM 0 H GLU A 58 -6.548 -6.836 11.937 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.341 -9.158 12.395 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.837 -6.677 13.175 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.108 -6.355 11.474 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.832 -8.192 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.599 -8.405 13.165 1.00 0.00 H new ATOM 877 N TYR A 59 -7.481 -7.814 9.552 1.00 0.00 N ATOM 878 CA TYR A 59 -7.382 -8.031 8.094 1.00 0.00 C ATOM 879 C TYR A 59 -6.287 -9.028 7.661 1.00 0.00 C ATOM 880 O TYR A 59 -6.333 -9.538 6.543 1.00 0.00 O ATOM 881 CB TYR A 59 -7.152 -6.683 7.405 1.00 0.00 C ATOM 882 CG TYR A 59 -8.314 -5.676 7.350 1.00 0.00 C ATOM 883 CD1 TYR A 59 -9.446 -5.753 8.158 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.246 -4.686 6.377 1.00 0.00 C ATOM 885 CE1 TYR A 59 -10.487 -4.850 7.991 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.288 -3.785 6.199 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.410 -3.867 7.012 1.00 0.00 C ATOM 888 OH TYR A 59 -11.446 -3.012 6.823 1.00 0.00 O ATOM 0 H TYR A 59 -6.925 -7.026 9.883 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.325 -8.484 7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.315 -6.195 7.904 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.840 -6.884 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.514 -6.518 8.917 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.370 -4.616 5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.360 -4.912 8.624 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.226 -3.026 5.433 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.189 -2.115 7.124 1.00 0.00 H new ATOM 898 N GLN A 60 -5.254 -9.162 8.499 1.00 0.00 N ATOM 899 CA GLN A 60 -4.065 -10.040 8.383 1.00 0.00 C ATOM 900 C GLN A 60 -3.057 -9.669 7.276 1.00 0.00 C ATOM 901 O GLN A 60 -1.875 -9.486 7.554 1.00 0.00 O ATOM 902 CB GLN A 60 -4.485 -11.517 8.350 1.00 0.00 C ATOM 903 CG GLN A 60 -3.335 -12.455 8.736 1.00 0.00 C ATOM 904 CD GLN A 60 -3.812 -13.874 9.065 1.00 0.00 C ATOM 905 OE1 GLN A 60 -4.728 -14.441 8.486 1.00 0.00 O ATOM 906 NE2 GLN A 60 -3.159 -14.494 10.024 1.00 0.00 N ATOM 0 H GLN A 60 -5.217 -8.612 9.357 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.486 -9.863 9.290 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.321 -11.670 9.032 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.838 -11.770 7.350 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.617 -12.499 7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.810 -12.044 9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.395 -14.023 10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.417 -15.446 10.284 1.00 0.00 H new ATOM 915 N VAL A 61 -3.591 -9.341 6.106 1.00 0.00 N ATOM 916 CA VAL A 61 -2.856 -8.957 4.879 1.00 0.00 C ATOM 917 C VAL A 61 -1.929 -7.713 4.957 1.00 0.00 C ATOM 918 O VAL A 61 -1.083 -7.524 4.086 1.00 0.00 O ATOM 919 CB VAL A 61 -3.890 -8.939 3.730 1.00 0.00 C ATOM 920 CG1 VAL A 61 -4.965 -7.858 3.887 1.00 0.00 C ATOM 921 CG2 VAL A 61 -3.255 -8.944 2.337 1.00 0.00 C ATOM 0 H VAL A 61 -4.601 -9.331 5.967 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.086 -9.706 4.696 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.416 -9.889 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.655 -7.906 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.513 -8.022 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.492 -6.876 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.039 -8.931 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.624 -8.063 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.649 -9.842 2.216 1.00 0.00 H new ATOM 931 N GLU A 62 -2.160 -6.827 5.930 1.00 0.00 N ATOM 932 CA GLU A 62 -1.313 -5.646 6.241 1.00 0.00 C ATOM 933 C GLU A 62 -0.890 -4.755 5.044 1.00 0.00 C ATOM 934 O GLU A 62 0.254 -4.759 4.588 1.00 0.00 O ATOM 935 CB GLU A 62 -0.098 -6.110 7.068 1.00 0.00 C ATOM 936 CG GLU A 62 0.699 -4.941 7.664 1.00 0.00 C ATOM 937 CD GLU A 62 2.073 -5.337 8.217 1.00 0.00 C ATOM 938 OE1 GLU A 62 2.810 -6.070 7.525 1.00 0.00 O ATOM 939 OE2 GLU A 62 2.422 -4.748 9.267 1.00 0.00 O ATOM 0 H GLU A 62 -2.966 -6.905 6.550 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.948 -4.972 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.440 -6.759 7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.559 -6.707 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.834 -4.179 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.114 -4.487 8.464 1.00 0.00 H new ATOM 946 N LEU A 63 -1.816 -3.900 4.615 1.00 0.00 N ATOM 947 CA LEU A 63 -1.525 -2.820 3.644 1.00 0.00 C ATOM 948 C LEU A 63 -2.168 -1.459 4.002 1.00 0.00 C ATOM 949 O LEU A 63 -3.255 -1.127 3.516 1.00 0.00 O ATOM 950 CB LEU A 63 -1.761 -3.249 2.180 1.00 0.00 C ATOM 951 CG LEU A 63 -3.191 -3.615 1.749 1.00 0.00 C ATOM 952 CD1 LEU A 63 -3.265 -3.682 0.223 1.00 0.00 C ATOM 953 CD2 LEU A 63 -3.626 -4.976 2.289 1.00 0.00 C ATOM 0 H LEU A 63 -2.788 -3.927 4.922 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.453 -2.641 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.417 -2.439 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.123 -4.109 1.979 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.850 -2.845 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.279 -3.942 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.997 -2.713 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.572 -4.440 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.642 -5.191 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.952 -5.748 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.594 -4.962 3.378 1.00 0.00 H new ATOM 965 N PRO A 64 -1.508 -0.672 4.872 1.00 0.00 N ATOM 966 CA PRO A 64 -1.986 0.667 5.281 1.00 0.00 C ATOM 967 C PRO A 64 -1.981 1.660 4.111 1.00 0.00 C ATOM 968 O PRO A 64 -1.195 1.525 3.176 1.00 0.00 O ATOM 969 CB PRO A 64 -1.039 1.102 6.401 1.00 0.00 C ATOM 970 CG PRO A 64 0.262 0.370 6.077 1.00 0.00 C ATOM 971 CD PRO A 64 -0.214 -0.974 5.520 1.00 0.00 C ATOM 0 HA PRO A 64 -3.022 0.638 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.899 2.183 6.410 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.423 0.822 7.382 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.860 0.917 5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.881 0.240 6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.501 -1.383 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.331 -1.713 6.313 1.00 0.00 H new ATOM 979 N LEU A 65 -2.913 2.614 4.180 1.00 0.00 N ATOM 980 CA LEU A 65 -3.205 3.649 3.155 1.00 0.00 C ATOM 981 C LEU A 65 -3.756 3.096 1.825 1.00 0.00 C ATOM 982 O LEU A 65 -4.736 3.626 1.309 1.00 0.00 O ATOM 983 CB LEU A 65 -1.998 4.587 2.954 1.00 0.00 C ATOM 984 CG LEU A 65 -2.279 5.811 2.071 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.492 7.012 2.599 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.873 5.554 0.618 1.00 0.00 C ATOM 0 H LEU A 65 -3.524 2.700 4.992 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.028 4.240 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.655 4.931 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.181 4.017 2.512 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.350 6.011 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.691 7.881 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.797 7.225 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.426 6.786 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.085 6.440 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.807 5.331 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.438 4.708 0.227 1.00 0.00 H new ATOM 998 N LYS A 66 -3.188 1.987 1.354 1.00 0.00 N ATOM 999 CA LYS A 66 -3.609 1.241 0.149 1.00 0.00 C ATOM 1000 C LYS A 66 -5.119 0.926 0.157 1.00 0.00 C ATOM 1001 O LYS A 66 -5.905 1.670 -0.436 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.774 -0.043 0.052 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.299 0.172 -0.297 1.00 0.00 C ATOM 1004 CD LYS A 66 -1.114 0.421 -1.795 1.00 0.00 C ATOM 1005 CE LYS A 66 0.371 0.474 -2.154 1.00 0.00 C ATOM 1006 NZ LYS A 66 0.555 0.557 -3.609 1.00 0.00 N ATOM 0 H LYS A 66 -2.386 1.558 1.815 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.435 1.863 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.834 -0.571 1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.220 -0.693 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.910 1.020 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.721 -0.702 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.603 -0.370 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.595 1.358 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.835 1.336 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.874 -0.413 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.571 0.592 -3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.131 -0.279 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.093 1.417 -3.969 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.524 -0.064 0.956 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.948 -0.417 1.130 1.00 0.00 C ATOM 1022 C VAL A 67 -7.590 0.485 2.212 1.00 0.00 C ATOM 1023 O VAL A 67 -7.843 0.102 3.352 1.00 0.00 O ATOM 1024 CB VAL A 67 -7.076 -1.949 1.295 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.599 -2.521 2.636 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -8.479 -2.428 0.924 1.00 0.00 C ATOM 0 H VAL A 67 -4.885 -0.644 1.500 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.547 -0.199 0.246 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.363 -2.363 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.736 -3.602 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.543 -2.288 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.179 -2.079 3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.539 -3.509 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.211 -1.946 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.688 -2.171 -0.114 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.603 1.767 1.849 1.00 0.00 N ATOM 1037 CA LEU A 68 -8.059 2.897 2.686 1.00 0.00 C ATOM 1038 C LEU A 68 -8.321 4.154 1.832 1.00 0.00 C ATOM 1039 O LEU A 68 -9.448 4.638 1.776 1.00 0.00 O ATOM 1040 CB LEU A 68 -7.002 3.159 3.775 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.330 4.291 4.753 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.558 3.966 5.611 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.102 4.577 5.619 1.00 0.00 C ATOM 0 H LEU A 68 -7.285 2.068 0.928 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.007 2.643 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.857 2.241 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.053 3.386 3.289 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.583 5.185 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.756 4.795 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.422 3.812 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.370 3.060 6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.329 5.382 6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.832 3.679 6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.269 4.873 4.982 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.265 4.676 1.209 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.329 5.805 0.259 1.00 0.00 C ATOM 1057 C PHE A 69 -7.778 5.374 -1.144 1.00 0.00 C ATOM 1058 O PHE A 69 -8.816 5.824 -1.622 1.00 0.00 O ATOM 1059 CB PHE A 69 -5.976 6.521 0.194 1.00 0.00 C ATOM 1060 CG PHE A 69 -5.839 7.581 1.288 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -5.408 7.240 2.565 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.109 8.908 0.977 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.231 8.232 3.523 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -5.937 9.897 1.935 1.00 0.00 C ATOM 1065 CZ PHE A 69 -5.494 9.560 3.208 1.00 0.00 C ATOM 0 H PHE A 69 -6.318 4.324 1.348 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.086 6.495 0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.173 5.790 0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.860 6.990 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.211 6.207 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.453 9.170 -0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.889 7.970 4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.147 10.928 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.354 10.330 3.953 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.037 4.436 -1.740 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.382 3.839 -3.050 1.00 0.00 C ATOM 1077 C ALA A 70 -8.752 3.135 -3.040 1.00 0.00 C ATOM 1078 O ALA A 70 -9.419 3.030 -4.067 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.285 2.856 -3.470 1.00 0.00 C ATOM 0 H ALA A 70 -6.179 4.063 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.452 4.653 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.540 2.417 -4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.335 3.384 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.199 2.067 -2.723 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.085 2.566 -1.881 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.401 1.961 -1.601 1.00 0.00 C ATOM 1087 C GLN A 71 -11.061 2.612 -0.363 1.00 0.00 C ATOM 1088 O GLN A 71 -11.038 2.034 0.725 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.210 0.446 -1.459 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.940 -0.192 -2.824 1.00 0.00 C ATOM 1091 CD GLN A 71 -9.395 -1.612 -2.694 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -10.103 -2.575 -2.442 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -8.100 -1.744 -2.866 1.00 0.00 N ATOM 0 H GLN A 71 -8.441 2.508 -1.092 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.091 2.145 -2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.379 0.240 -0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.100 0.002 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.862 -0.209 -3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.227 0.421 -3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.527 -0.926 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.667 -2.664 -2.790 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.715 3.774 -0.537 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.298 4.555 0.577 1.00 0.00 C ATOM 1104 C PRO A 72 -13.692 4.088 1.046 1.00 0.00 C ATOM 1105 O PRO A 72 -14.449 4.848 1.653 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.307 5.979 0.018 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.633 5.773 -1.460 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.865 4.500 -1.816 1.00 0.00 C ATOM 0 HA PRO A 72 -11.718 4.442 1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.054 6.601 0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.343 6.470 0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.704 5.655 -1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.310 6.620 -2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.409 3.902 -2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.894 4.734 -2.253 1.00 0.00 H new ATOM 1116 N THR A 73 -13.918 2.781 0.932 1.00 0.00 N ATOM 1117 CA THR A 73 -15.234 2.140 1.158 1.00 0.00 C ATOM 1118 C THR A 73 -15.074 0.721 1.716 1.00 0.00 C ATOM 1119 O THR A 73 -14.342 -0.100 1.156 1.00 0.00 O ATOM 1120 CB THR A 73 -16.119 2.146 -0.110 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.322 1.402 0.117 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.420 1.639 -1.379 1.00 0.00 C ATOM 0 H THR A 73 -13.187 2.117 0.676 1.00 0.00 H new ATOM 0 HA THR A 73 -15.751 2.741 1.906 1.00 0.00 H new ATOM 0 HB THR A 73 -16.350 3.195 -0.296 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.656 1.587 1.020 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.115 1.678 -2.218 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.556 2.267 -1.594 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.092 0.611 -1.228 1.00 0.00 H new ATOM 1130 N ILE A 74 -15.892 0.422 2.724 1.00 0.00 N ATOM 1131 CA ILE A 74 -15.867 -0.890 3.405 1.00 0.00 C ATOM 1132 C ILE A 74 -16.255 -2.069 2.484 1.00 0.00 C ATOM 1133 O ILE A 74 -15.706 -3.156 2.628 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.585 -0.809 4.771 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -15.905 -1.664 5.856 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.096 -1.040 4.717 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -15.851 -3.189 5.675 1.00 0.00 C ATOM 0 H ILE A 74 -16.588 1.069 3.096 1.00 0.00 H new ATOM 0 HA ILE A 74 -14.834 -1.140 3.648 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.473 0.234 5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -14.880 -1.308 5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.411 -1.462 6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.512 -0.964 5.722 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.556 -0.288 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.298 -2.033 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.340 -3.639 6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.865 -3.584 5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.310 -3.428 4.759 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.002 -1.765 1.420 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.325 -2.712 0.330 1.00 0.00 C ATOM 1151 C LYS A 75 -16.033 -3.347 -0.236 1.00 0.00 C ATOM 1152 O LYS A 75 -15.712 -4.496 0.068 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.105 -1.911 -0.726 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.454 -2.688 -1.997 1.00 0.00 C ATOM 1155 CD LYS A 75 -18.044 -1.857 -3.214 1.00 0.00 C ATOM 1156 CE LYS A 75 -18.342 -2.581 -4.526 1.00 0.00 C ATOM 1157 NZ LYS A 75 -17.849 -1.802 -5.670 1.00 0.00 N ATOM 0 H LYS A 75 -17.410 -0.840 1.282 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.932 -3.546 0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.028 -1.547 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.518 -1.035 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.938 -3.648 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.523 -2.900 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -18.573 -0.904 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.979 -1.632 -3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.873 -3.565 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.416 -2.741 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.060 -2.310 -6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.316 -0.873 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.821 -1.671 -5.584 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.181 -2.484 -0.788 1.00 0.00 N ATOM 1172 CA ALA A 76 -13.867 -2.858 -1.343 1.00 0.00 C ATOM 1173 C ALA A 76 -12.880 -3.409 -0.295 1.00 0.00 C ATOM 1174 O ALA A 76 -12.205 -4.406 -0.553 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.286 -1.644 -2.065 1.00 0.00 C ATOM 0 H ALA A 76 -15.381 -1.487 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.022 -3.682 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.313 -1.901 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.958 -1.343 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.172 -0.821 -1.359 1.00 0.00 H new ATOM 1181 N LEU A 77 -12.937 -2.866 0.927 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.158 -3.391 2.075 1.00 0.00 C ATOM 1183 C LEU A 77 -12.502 -4.870 2.344 1.00 0.00 C ATOM 1184 O LEU A 77 -11.619 -5.729 2.336 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.397 -2.589 3.369 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.289 -1.057 3.290 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.478 -0.454 4.683 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.967 -0.561 2.711 1.00 0.00 C ATOM 0 H LEU A 77 -13.516 -2.058 1.156 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.109 -3.293 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.392 -2.837 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.684 -2.938 4.116 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.076 -0.733 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.401 0.632 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.461 -0.727 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.707 -0.836 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.966 0.529 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.143 -0.911 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.846 -0.946 1.698 1.00 0.00 H new ATOM 1200 N ALA A 78 -13.802 -5.167 2.375 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.343 -6.537 2.494 1.00 0.00 C ATOM 1202 C ALA A 78 -13.959 -7.436 1.306 1.00 0.00 C ATOM 1203 O ALA A 78 -13.591 -8.587 1.523 1.00 0.00 O ATOM 1204 CB ALA A 78 -15.865 -6.493 2.664 1.00 0.00 C ATOM 0 H ALA A 78 -14.529 -4.454 2.317 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.891 -6.981 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.251 -7.509 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.114 -5.932 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.314 -6.007 1.798 1.00 0.00 H new ATOM 1210 N GLN A 79 -13.959 -6.890 0.090 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.441 -7.593 -1.106 1.00 0.00 C ATOM 1212 C GLN A 79 -11.955 -7.987 -1.025 1.00 0.00 C ATOM 1213 O GLN A 79 -11.563 -9.044 -1.515 1.00 0.00 O ATOM 1214 CB GLN A 79 -13.725 -6.782 -2.375 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.094 -7.108 -2.988 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.287 -6.778 -2.084 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -16.902 -5.724 -2.162 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -16.662 -7.710 -1.234 1.00 0.00 N ATOM 0 H GLN A 79 -14.314 -5.954 -0.104 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.984 -8.537 -1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -13.680 -5.719 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.945 -6.979 -3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.200 -6.559 -3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.124 -8.169 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.143 -8.586 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.472 -7.556 -0.633 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.142 -7.132 -0.411 1.00 0.00 N ATOM 1228 CA TYR A 80 -9.739 -7.469 -0.095 1.00 0.00 C ATOM 1229 C TYR A 80 -9.542 -8.465 1.064 1.00 0.00 C ATOM 1230 O TYR A 80 -8.767 -9.416 0.959 1.00 0.00 O ATOM 1231 CB TYR A 80 -8.919 -6.195 0.142 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.322 -5.592 -1.139 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.020 -5.546 -2.343 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.016 -5.120 -1.093 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -8.411 -5.058 -3.491 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.406 -4.622 -2.235 1.00 0.00 C ATOM 1237 CZ TYR A 80 -7.105 -4.589 -3.435 1.00 0.00 C ATOM 1238 OH TYR A 80 -6.585 -3.903 -4.482 1.00 0.00 O ATOM 0 H TYR A 80 -11.423 -6.196 -0.118 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.373 -7.994 -0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.554 -5.450 0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.110 -6.419 0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.042 -5.892 -2.384 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.471 -5.141 -0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.952 -5.043 -4.426 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.389 -4.261 -2.191 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.661 -3.646 -4.279 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.339 -8.327 2.120 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.077 -9.101 3.356 1.00 0.00 C ATOM 1250 C VAL A 81 -11.001 -10.287 3.678 1.00 0.00 C ATOM 1251 O VAL A 81 -10.548 -11.295 4.212 1.00 0.00 O ATOM 1252 CB VAL A 81 -9.859 -8.187 4.575 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -8.685 -7.251 4.284 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -11.102 -7.397 5.000 1.00 0.00 C ATOM 0 H VAL A 81 -11.150 -7.710 2.159 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.143 -9.607 3.111 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.636 -8.831 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.520 -6.597 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.787 -7.840 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.910 -6.647 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.862 -6.779 5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.427 -6.760 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.902 -8.090 5.260 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.247 -10.205 3.228 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.258 -11.268 3.390 1.00 0.00 C ATOM 1266 C ALA A 82 -13.645 -11.838 2.008 1.00 0.00 C ATOM 1267 O ALA A 82 -14.812 -11.923 1.620 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.454 -10.680 4.150 1.00 0.00 C ATOM 0 H ALA A 82 -12.599 -9.388 2.730 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.865 -12.104 3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.215 -11.449 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.125 -10.324 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.872 -9.849 3.583 1.00 0.00 H new ATOM 1274 N THR A 83 -12.602 -12.192 1.257 1.00 0.00 N ATOM 1275 CA THR A 83 -12.679 -12.689 -0.139 1.00 0.00 C ATOM 1276 C THR A 83 -11.361 -13.399 -0.508 1.00 0.00 C ATOM 1277 O THR A 83 -11.401 -14.579 -0.846 1.00 0.00 O ATOM 1278 CB THR A 83 -13.039 -11.578 -1.153 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.286 -10.968 -0.797 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.145 -12.085 -2.596 1.00 0.00 C ATOM 0 H THR A 83 -11.644 -12.143 1.604 1.00 0.00 H new ATOM 0 HA THR A 83 -13.496 -13.408 -0.195 1.00 0.00 H new ATOM 0 HB THR A 83 -12.222 -10.857 -1.110 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.743 -11.523 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.400 -11.255 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.190 -12.512 -2.903 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.920 -12.849 -2.657 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.236 -12.677 -0.489 1.00 0.00 N ATOM 1289 CA ARG A 84 -8.910 -13.325 -0.634 1.00 0.00 C ATOM 1290 C ARG A 84 -8.047 -13.365 0.644 1.00 0.00 C ATOM 1291 O ARG A 84 -7.242 -14.278 0.804 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.105 -12.805 -1.841 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.524 -11.388 -1.730 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.562 -10.280 -1.920 1.00 0.00 C ATOM 1295 NE ARG A 84 -8.949 -10.087 -3.328 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.239 -9.451 -4.264 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.154 -8.744 -3.972 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -8.699 -9.396 -5.503 1.00 0.00 N ATOM 0 H ARG A 84 -10.206 -11.664 -0.377 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.171 -14.365 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.282 -13.496 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.750 -12.839 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.057 -11.272 -0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.737 -11.268 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.450 -10.518 -1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.163 -9.345 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.846 -10.477 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.837 -8.673 -3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.638 -8.272 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.589 -9.837 -5.737 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.164 -8.913 -6.225 1.00 0.00 H new ATOM 1312 N SER A 85 -8.167 -12.333 1.490 1.00 0.00 N ATOM 1313 CA SER A 85 -7.572 -12.267 2.855 1.00 0.00 C ATOM 1314 C SER A 85 -6.047 -12.075 2.937 1.00 0.00 C ATOM 1315 O SER A 85 -5.610 -11.539 3.979 1.00 0.00 O ATOM 1316 CB SER A 85 -7.936 -13.476 3.731 1.00 0.00 C ATOM 1317 OG SER A 85 -9.357 -13.607 3.830 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.352 -12.382 1.943 1.00 99.99 O ATOM 0 H SER A 85 -8.692 -11.493 1.249 1.00 0.00 H new ATOM 0 HA SER A 85 -8.031 -11.353 3.233 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.509 -14.384 3.305 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.505 -13.357 4.725 1.00 0.00 H new ATOM 0 HG SER A 85 -9.734 -12.791 4.220 1.00 0.00 H new