USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 652 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 45 HIS : no HD1:sc= 0 K(o=-0.13,f=-1) USER MOD Set 1.2: A 46 CYS SG : rot -106:sc= -0.128 USER MOD Set 2.1: A 11 ASN :FLIP amide:sc= -0.529 F(o=-2,f=-0.82) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= -0.289 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0934 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 0.859 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= 0.718 (180deg=-1.83!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -116:sc= 1.96 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.74 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.04! C(o=-4!,f=-9.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0394 K(o=-0.039,f=-1.7!) USER MOD Single : A 52 ASN : amide:sc= -0.443 K(o=-0.44,f=-1.1) USER MOD Single : A 54 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.47) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -170:sc= -1.46 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -173:sc= 1.08 (180deg=1.04) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.886 -11.403 23.684 1.00 0.00 N ATOM 2 CA GLY A 1 -5.779 -12.330 23.827 1.00 0.00 C ATOM 3 C GLY A 1 -5.238 -12.798 22.491 1.00 0.00 C ATOM 4 O GLY A 1 -5.706 -12.366 21.438 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.646 -10.502 24.145 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.071 -11.236 22.674 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.735 -11.805 24.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.979 -11.851 24.392 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.105 -13.194 24.406 1.00 0.00 H new ATOM 8 N SER A 2 -4.248 -13.684 22.533 1.00 0.00 N ATOM 9 CA SER A 2 -3.638 -14.207 21.316 1.00 0.00 C ATOM 10 C SER A 2 -4.337 -15.486 20.865 1.00 0.00 C ATOM 11 O SER A 2 -4.020 -16.579 21.336 1.00 0.00 O ATOM 12 CB SER A 2 -2.150 -14.478 21.541 1.00 0.00 C ATOM 13 OG SER A 2 -1.955 -15.429 22.574 1.00 0.00 O ATOM 0 H SER A 2 -3.851 -14.055 23.396 1.00 0.00 H new ATOM 0 HA SER A 2 -3.748 -13.457 20.533 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.700 -14.842 20.618 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.643 -13.548 21.798 1.00 0.00 H new ATOM 0 HG SER A 2 -2.561 -16.187 22.439 1.00 0.00 H new ATOM 19 N SER A 3 -5.290 -15.342 19.949 1.00 0.00 N ATOM 20 CA SER A 3 -6.037 -16.484 19.437 1.00 0.00 C ATOM 21 C SER A 3 -6.000 -16.517 17.912 1.00 0.00 C ATOM 22 O SER A 3 -5.737 -15.505 17.264 1.00 0.00 O ATOM 23 CB SER A 3 -7.487 -16.431 19.922 1.00 0.00 C ATOM 24 OG SER A 3 -8.161 -15.302 19.393 1.00 0.00 O ATOM 0 H SER A 3 -5.563 -14.445 19.547 1.00 0.00 H new ATOM 0 HA SER A 3 -5.568 -17.393 19.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.007 -17.341 19.624 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.508 -16.394 21.011 1.00 0.00 H new ATOM 0 HG SER A 3 -9.086 -15.292 19.716 1.00 0.00 H new ATOM 30 N GLY A 4 -6.265 -17.690 17.345 1.00 0.00 N ATOM 31 CA GLY A 4 -6.257 -17.835 15.901 1.00 0.00 C ATOM 32 C GLY A 4 -4.874 -18.130 15.356 1.00 0.00 C ATOM 33 O GLY A 4 -3.871 -17.682 15.912 1.00 0.00 O ATOM 0 H GLY A 4 -6.485 -18.543 17.860 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.936 -18.639 15.616 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.637 -16.921 15.445 1.00 0.00 H new ATOM 37 N SER A 5 -4.819 -18.888 14.265 1.00 0.00 N ATOM 38 CA SER A 5 -3.547 -19.247 13.647 1.00 0.00 C ATOM 39 C SER A 5 -3.388 -18.561 12.293 1.00 0.00 C ATOM 40 O SER A 5 -2.955 -19.178 11.320 1.00 0.00 O ATOM 41 CB SER A 5 -3.449 -20.764 13.478 1.00 0.00 C ATOM 42 OG SER A 5 -4.436 -21.242 12.581 1.00 0.00 O ATOM 0 H SER A 5 -5.640 -19.265 13.791 1.00 0.00 H new ATOM 0 HA SER A 5 -2.744 -18.909 14.302 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.458 -21.029 13.108 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.568 -21.249 14.447 1.00 0.00 H new ATOM 0 HG SER A 5 -4.351 -22.214 12.489 1.00 0.00 H new ATOM 48 N SER A 6 -3.742 -17.281 12.240 1.00 0.00 N ATOM 49 CA SER A 6 -3.643 -16.512 11.005 1.00 0.00 C ATOM 50 C SER A 6 -2.205 -16.065 10.758 1.00 0.00 C ATOM 51 O SER A 6 -1.358 -16.139 11.647 1.00 0.00 O ATOM 52 CB SER A 6 -4.565 -15.292 11.065 1.00 0.00 C ATOM 53 OG SER A 6 -4.790 -14.760 9.771 1.00 0.00 O ATOM 0 H SER A 6 -4.100 -16.755 13.037 1.00 0.00 H new ATOM 0 HA SER A 6 -3.953 -17.153 10.180 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.516 -15.573 11.517 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.122 -14.528 11.704 1.00 0.00 H new ATOM 0 HG SER A 6 -5.383 -13.983 9.836 1.00 0.00 H new ATOM 59 N GLY A 7 -1.938 -15.601 9.541 1.00 0.00 N ATOM 60 CA GLY A 7 -0.602 -15.150 9.196 1.00 0.00 C ATOM 61 C GLY A 7 -0.467 -13.641 9.254 1.00 0.00 C ATOM 62 O GLY A 7 -1.352 -12.950 9.757 1.00 0.00 O ATOM 0 H GLY A 7 -2.622 -15.529 8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.118 -15.603 9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.353 -15.496 8.193 1.00 0.00 H new ATOM 66 N GLY A 8 0.646 -13.128 8.738 1.00 0.00 N ATOM 67 CA GLY A 8 0.874 -11.694 8.745 1.00 0.00 C ATOM 68 C GLY A 8 2.320 -11.339 9.030 1.00 0.00 C ATOM 69 O GLY A 8 3.198 -12.201 8.990 1.00 0.00 O ATOM 0 H GLY A 8 1.393 -13.679 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.584 -11.278 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.234 -11.231 9.496 1.00 0.00 H new ATOM 73 N TYR A 9 2.569 -10.066 9.315 1.00 0.00 N ATOM 74 CA TYR A 9 3.919 -9.597 9.603 1.00 0.00 C ATOM 75 C TYR A 9 4.709 -10.651 10.374 1.00 0.00 C ATOM 76 O TYR A 9 4.149 -11.492 11.078 1.00 0.00 O ATOM 77 CB TYR A 9 3.870 -8.294 10.403 1.00 0.00 C ATOM 78 CG TYR A 9 2.935 -8.347 11.589 1.00 0.00 C ATOM 79 CD1 TYR A 9 3.214 -9.156 12.684 1.00 0.00 C ATOM 80 CD2 TYR A 9 1.772 -7.587 11.616 1.00 0.00 C ATOM 81 CE1 TYR A 9 2.362 -9.208 13.770 1.00 0.00 C ATOM 82 CE2 TYR A 9 0.914 -7.632 12.699 1.00 0.00 C ATOM 83 CZ TYR A 9 1.213 -8.444 13.773 1.00 0.00 C ATOM 84 OH TYR A 9 0.363 -8.492 14.853 1.00 0.00 O ATOM 0 H TYR A 9 1.853 -9.340 9.353 1.00 0.00 H new ATOM 0 HA TYR A 9 4.422 -9.414 8.654 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.874 -8.054 10.753 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.561 -7.484 9.743 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.113 -9.755 12.686 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.534 -6.950 10.777 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.594 -9.843 14.612 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.014 -7.034 12.704 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.398 -7.895 14.697 1.00 0.00 H new ATOM 94 N PRO A 10 6.042 -10.605 10.240 1.00 0.00 N ATOM 95 CA PRO A 10 6.720 -9.609 9.405 1.00 0.00 C ATOM 96 C PRO A 10 6.480 -9.840 7.917 1.00 0.00 C ATOM 97 O PRO A 10 5.851 -10.822 7.525 1.00 0.00 O ATOM 98 CB PRO A 10 8.199 -9.807 9.745 1.00 0.00 C ATOM 99 CG PRO A 10 8.295 -11.221 10.206 1.00 0.00 C ATOM 100 CD PRO A 10 6.992 -11.522 10.893 1.00 0.00 C ATOM 0 HA PRO A 10 6.356 -8.600 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.832 -9.630 8.876 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.523 -9.114 10.522 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.458 -11.895 9.365 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.135 -11.353 10.888 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.700 -12.564 10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.052 -11.341 11.966 1.00 0.00 H new ATOM 108 N ASN A 11 6.987 -8.929 7.092 1.00 0.00 N ATOM 109 CA ASN A 11 6.827 -9.034 5.646 1.00 0.00 C ATOM 110 C ASN A 11 7.983 -9.814 5.026 1.00 0.00 C ATOM 111 O ASN A 11 7.774 -10.800 4.322 1.00 0.00 O ATOM 112 CB ASN A 11 6.742 -7.642 5.018 1.00 0.00 C ATOM 113 CG ASN A 11 5.940 -6.673 5.867 1.00 0.00 C ATOM 114 OD1 ASN A 11 6.530 -5.523 6.169 1.00 0.00 O flip ATOM 115 ND2 ASN A 11 4.804 -6.957 6.246 1.00 0.00 N flip ATOM 0 H ASN A 11 7.512 -8.110 7.400 1.00 0.00 H new ATOM 0 HA ASN A 11 5.900 -9.572 5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.748 -7.249 4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.287 -7.719 4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.390 -7.853 5.990 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.277 -6.296 6.816 1.00 0.00 H new ATOM 122 N GLY A 12 9.205 -9.363 5.295 1.00 0.00 N ATOM 123 CA GLY A 12 10.376 -10.029 4.757 1.00 0.00 C ATOM 124 C GLY A 12 11.396 -10.363 5.828 1.00 0.00 C ATOM 125 O GLY A 12 11.266 -9.937 6.976 1.00 0.00 O ATOM 0 H GLY A 12 9.404 -8.548 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.069 -10.946 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.839 -9.391 4.004 1.00 0.00 H new ATOM 129 N THR A 13 12.416 -11.130 5.453 1.00 0.00 N ATOM 130 CA THR A 13 13.461 -11.523 6.390 1.00 0.00 C ATOM 131 C THR A 13 14.754 -10.761 6.124 1.00 0.00 C ATOM 132 O THR A 13 15.373 -10.229 7.045 1.00 0.00 O ATOM 133 CB THR A 13 13.744 -13.035 6.313 1.00 0.00 C ATOM 134 OG1 THR A 13 14.782 -13.387 7.235 1.00 0.00 O ATOM 135 CG2 THR A 13 14.153 -13.438 4.904 1.00 0.00 C ATOM 0 H THR A 13 12.540 -11.491 4.507 1.00 0.00 H new ATOM 0 HA THR A 13 13.098 -11.279 7.388 1.00 0.00 H new ATOM 0 HB THR A 13 12.830 -13.567 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.955 -14.350 7.181 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.348 -14.510 4.874 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.349 -13.196 4.209 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.055 -12.897 4.618 1.00 0.00 H new ATOM 143 N SER A 14 15.156 -10.712 4.858 1.00 0.00 N ATOM 144 CA SER A 14 16.378 -10.016 4.471 1.00 0.00 C ATOM 145 C SER A 14 16.138 -9.137 3.247 1.00 0.00 C ATOM 146 O SER A 14 16.987 -9.045 2.360 1.00 0.00 O ATOM 147 CB SER A 14 17.492 -11.023 4.179 1.00 0.00 C ATOM 148 OG SER A 14 17.180 -11.816 3.047 1.00 0.00 O ATOM 0 H SER A 14 14.654 -11.146 4.083 1.00 0.00 H new ATOM 0 HA SER A 14 16.682 -9.378 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 14 18.429 -10.493 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 14 17.642 -11.666 5.047 1.00 0.00 H new ATOM 0 HG SER A 14 17.909 -12.450 2.881 1.00 0.00 H new ATOM 154 N ALA A 15 14.976 -8.494 3.206 1.00 0.00 N ATOM 155 CA ALA A 15 14.624 -7.621 2.093 1.00 0.00 C ATOM 156 C ALA A 15 13.299 -6.913 2.349 1.00 0.00 C ATOM 157 O ALA A 15 12.301 -7.547 2.689 1.00 0.00 O ATOM 158 CB ALA A 15 14.559 -8.417 0.798 1.00 0.00 C ATOM 0 H ALA A 15 14.262 -8.561 3.931 1.00 0.00 H new ATOM 0 HA ALA A 15 15.400 -6.861 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.295 -7.752 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.530 -8.871 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.805 -9.199 0.889 1.00 0.00 H new ATOM 164 N ALA A 16 13.296 -5.594 2.183 1.00 0.00 N ATOM 165 CA ALA A 16 12.092 -4.800 2.395 1.00 0.00 C ATOM 166 C ALA A 16 12.322 -3.342 2.014 1.00 0.00 C ATOM 167 O ALA A 16 13.409 -2.799 2.220 1.00 0.00 O ATOM 168 CB ALA A 16 11.640 -4.903 3.844 1.00 0.00 C ATOM 0 H ALA A 16 14.114 -5.053 1.902 1.00 0.00 H new ATOM 0 HA ALA A 16 11.307 -5.197 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.740 -4.305 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.426 -5.944 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.429 -4.533 4.499 1.00 0.00 H new ATOM 174 N LEU A 17 11.294 -2.712 1.456 1.00 0.00 N ATOM 175 CA LEU A 17 11.385 -1.315 1.045 1.00 0.00 C ATOM 176 C LEU A 17 10.017 -0.778 0.634 1.00 0.00 C ATOM 177 O LEU A 17 9.225 -1.484 0.010 1.00 0.00 O ATOM 178 CB LEU A 17 12.372 -1.167 -0.114 1.00 0.00 C ATOM 179 CG LEU A 17 11.775 -1.249 -1.519 1.00 0.00 C ATOM 180 CD1 LEU A 17 10.927 -2.503 -1.666 1.00 0.00 C ATOM 181 CD2 LEU A 17 10.950 -0.007 -1.822 1.00 0.00 C ATOM 0 H LEU A 17 10.388 -3.146 1.278 1.00 0.00 H new ATOM 0 HA LEU A 17 11.743 -0.735 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.880 -0.208 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.133 -1.942 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 17 12.593 -1.301 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.510 -2.544 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.546 -3.383 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.116 -2.481 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.533 -0.083 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.140 0.077 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.586 0.876 -1.759 1.00 0.00 H new ATOM 193 N ARG A 18 9.749 0.474 0.988 1.00 0.00 N ATOM 194 CA ARG A 18 8.477 1.106 0.655 1.00 0.00 C ATOM 195 C ARG A 18 8.432 1.492 -0.820 1.00 0.00 C ATOM 196 O ARG A 18 9.235 2.300 -1.285 1.00 0.00 O ATOM 197 CB ARG A 18 8.256 2.345 1.525 1.00 0.00 C ATOM 198 CG ARG A 18 8.321 2.061 3.017 1.00 0.00 C ATOM 199 CD ARG A 18 7.147 1.209 3.473 1.00 0.00 C ATOM 200 NE ARG A 18 5.984 2.020 3.822 1.00 0.00 N ATOM 201 CZ ARG A 18 5.805 2.573 5.016 1.00 0.00 C ATOM 202 NH1 ARG A 18 6.709 2.403 5.971 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.720 3.299 5.257 1.00 0.00 N ATOM 0 H ARG A 18 10.395 1.071 1.505 1.00 0.00 H new ATOM 0 HA ARG A 18 7.681 0.388 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.007 3.094 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.283 2.776 1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.255 1.550 3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.325 3.002 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.877 0.510 2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.445 0.613 4.336 1.00 0.00 H new ATOM 0 HE ARG A 18 5.270 2.170 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.544 1.846 5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.569 2.829 6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.023 3.433 4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.584 3.723 6.175 1.00 0.00 H new ATOM 217 N GLU A 19 7.486 0.909 -1.550 1.00 0.00 N ATOM 218 CA GLU A 19 7.337 1.192 -2.973 1.00 0.00 C ATOM 219 C GLU A 19 6.290 2.277 -3.205 1.00 0.00 C ATOM 220 O GLU A 19 5.379 2.461 -2.397 1.00 0.00 O ATOM 221 CB GLU A 19 6.947 -0.080 -3.730 1.00 0.00 C ATOM 222 CG GLU A 19 7.888 -1.247 -3.485 1.00 0.00 C ATOM 223 CD GLU A 19 9.061 -1.262 -4.446 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.554 -0.170 -4.799 1.00 0.00 O ATOM 225 OE2 GLU A 19 9.487 -2.367 -4.844 1.00 0.00 O ATOM 0 H GLU A 19 6.812 0.239 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 19 8.295 1.550 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.938 -0.371 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.921 0.137 -4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.262 -1.199 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.334 -2.181 -3.579 1.00 0.00 H new ATOM 232 N THR A 20 6.427 2.995 -4.316 1.00 0.00 N ATOM 233 CA THR A 20 5.495 4.063 -4.655 1.00 0.00 C ATOM 234 C THR A 20 4.922 3.869 -6.054 1.00 0.00 C ATOM 235 O THR A 20 5.619 3.426 -6.965 1.00 0.00 O ATOM 236 CB THR A 20 6.172 5.445 -4.577 1.00 0.00 C ATOM 237 OG1 THR A 20 7.114 5.590 -5.646 1.00 0.00 O ATOM 238 CG2 THR A 20 6.879 5.626 -3.243 1.00 0.00 C ATOM 0 H THR A 20 7.174 2.856 -4.996 1.00 0.00 H new ATOM 0 HA THR A 20 4.687 4.021 -3.925 1.00 0.00 H new ATOM 0 HB THR A 20 5.400 6.209 -4.668 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.539 6.471 -5.590 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.349 6.609 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.154 5.544 -2.433 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.641 4.855 -3.127 1.00 0.00 H new ATOM 246 N GLY A 21 3.645 4.204 -6.217 1.00 0.00 N ATOM 247 CA GLY A 21 3.000 4.060 -7.509 1.00 0.00 C ATOM 248 C GLY A 21 1.846 5.026 -7.692 1.00 0.00 C ATOM 249 O GLY A 21 1.982 6.223 -7.437 1.00 0.00 O ATOM 0 H GLY A 21 3.046 4.572 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.734 4.222 -8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.635 3.039 -7.618 1.00 0.00 H new ATOM 253 N VAL A 22 0.706 4.507 -8.136 1.00 0.00 N ATOM 254 CA VAL A 22 -0.476 5.332 -8.354 1.00 0.00 C ATOM 255 C VAL A 22 -1.754 4.518 -8.179 1.00 0.00 C ATOM 256 O VAL A 22 -1.779 3.317 -8.450 1.00 0.00 O ATOM 257 CB VAL A 22 -0.470 5.961 -9.760 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.724 4.901 -10.821 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.504 7.074 -9.849 1.00 0.00 C ATOM 0 H VAL A 22 0.576 3.519 -8.352 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.449 6.127 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 22 0.514 6.394 -9.941 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.716 5.364 -11.808 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.056 4.141 -10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.694 4.436 -10.646 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.487 7.508 -10.849 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.495 6.667 -9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.272 7.846 -9.115 1.00 0.00 H new ATOM 269 N ILE A 23 -2.812 5.180 -7.725 1.00 0.00 N ATOM 270 CA ILE A 23 -4.094 4.518 -7.515 1.00 0.00 C ATOM 271 C ILE A 23 -4.810 4.275 -8.839 1.00 0.00 C ATOM 272 O ILE A 23 -5.505 5.153 -9.350 1.00 0.00 O ATOM 273 CB ILE A 23 -5.010 5.345 -6.593 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.314 5.618 -5.258 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.329 4.620 -6.370 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.539 4.536 -4.226 1.00 0.00 C ATOM 0 H ILE A 23 -2.807 6.174 -7.495 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.881 3.561 -7.039 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.219 6.300 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.243 5.726 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.670 6.568 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.966 5.216 -5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.829 4.471 -7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.138 3.652 -5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.016 4.797 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.606 4.443 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.157 3.588 -4.604 1.00 0.00 H new ATOM 288 N GLU A 24 -4.637 3.077 -9.388 1.00 0.00 N ATOM 289 CA GLU A 24 -5.268 2.718 -10.653 1.00 0.00 C ATOM 290 C GLU A 24 -6.781 2.598 -10.491 1.00 0.00 C ATOM 291 O GLU A 24 -7.547 3.128 -11.295 1.00 0.00 O ATOM 292 CB GLU A 24 -4.695 1.401 -11.179 1.00 0.00 C ATOM 293 CG GLU A 24 -4.850 1.226 -12.680 1.00 0.00 C ATOM 294 CD GLU A 24 -4.385 -0.135 -13.161 1.00 0.00 C ATOM 295 OE1 GLU A 24 -4.385 -1.083 -12.348 1.00 0.00 O ATOM 296 OE2 GLU A 24 -4.021 -0.251 -14.350 1.00 0.00 O ATOM 0 H GLU A 24 -4.066 2.339 -8.977 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.058 3.510 -11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.637 1.347 -10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.188 0.572 -10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.896 1.365 -12.952 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.282 2.002 -13.193 1.00 0.00 H new ATOM 303 N LYS A 25 -7.204 1.896 -9.445 1.00 0.00 N ATOM 304 CA LYS A 25 -8.624 1.705 -9.175 1.00 0.00 C ATOM 305 C LYS A 25 -8.899 1.714 -7.674 1.00 0.00 C ATOM 306 O LYS A 25 -8.036 1.352 -6.873 1.00 0.00 O ATOM 307 CB LYS A 25 -9.108 0.388 -9.785 1.00 0.00 C ATOM 308 CG LYS A 25 -10.511 0.463 -10.361 1.00 0.00 C ATOM 309 CD LYS A 25 -11.560 0.092 -9.326 1.00 0.00 C ATOM 310 CE LYS A 25 -12.969 0.300 -9.860 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.916 0.701 -8.784 1.00 0.00 N ATOM 0 H LYS A 25 -6.583 1.450 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.169 2.531 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.417 0.086 -10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.079 -0.389 -9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.701 1.472 -10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.590 -0.207 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.431 -0.950 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.417 0.695 -8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.954 1.066 -10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.319 -0.620 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.541 1.454 -9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.488 -0.120 -8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.381 1.049 -7.963 1.00 0.00 H new ATOM 325 N LEU A 26 -10.105 2.128 -7.301 1.00 0.00 N ATOM 326 CA LEU A 26 -10.493 2.182 -5.896 1.00 0.00 C ATOM 327 C LEU A 26 -11.940 1.734 -5.713 1.00 0.00 C ATOM 328 O LEU A 26 -12.816 2.091 -6.503 1.00 0.00 O ATOM 329 CB LEU A 26 -10.314 3.600 -5.351 1.00 0.00 C ATOM 330 CG LEU A 26 -10.103 3.717 -3.841 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.622 3.654 -3.502 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.717 5.006 -3.314 1.00 0.00 C ATOM 0 H LEU A 26 -10.830 2.431 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.848 1.501 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.461 4.056 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.193 4.185 -5.621 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.602 2.876 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.492 3.739 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.211 2.704 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.100 4.474 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.557 5.072 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.248 5.859 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.787 5.011 -3.523 1.00 0.00 H new ATOM 344 N LEU A 27 -12.184 0.952 -4.667 1.00 0.00 N ATOM 345 CA LEU A 27 -13.526 0.457 -4.379 1.00 0.00 C ATOM 346 C LEU A 27 -13.936 0.796 -2.950 1.00 0.00 C ATOM 347 O LEU A 27 -13.217 1.493 -2.234 1.00 0.00 O ATOM 348 CB LEU A 27 -13.590 -1.056 -4.595 1.00 0.00 C ATOM 349 CG LEU A 27 -13.158 -1.556 -5.975 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.642 -1.626 -6.067 1.00 0.00 C ATOM 351 CD2 LEU A 27 -13.776 -2.916 -6.266 1.00 0.00 C ATOM 0 H LEU A 27 -11.471 0.647 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.221 0.945 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.963 -1.537 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.613 -1.386 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.514 -0.849 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.354 -1.984 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.221 -0.634 -5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.263 -2.311 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.458 -3.257 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.450 -3.633 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.863 -2.834 -6.243 1.00 0.00 H new ATOM 363 N THR A 28 -15.098 0.296 -2.539 1.00 0.00 N ATOM 364 CA THR A 28 -15.603 0.544 -1.195 1.00 0.00 C ATOM 365 C THR A 28 -14.970 -0.406 -0.184 1.00 0.00 C ATOM 366 O THR A 28 -14.995 -0.153 1.020 1.00 0.00 O ATOM 367 CB THR A 28 -17.135 0.393 -1.134 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.748 1.208 -2.140 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.664 0.788 0.236 1.00 0.00 C ATOM 0 H THR A 28 -15.706 -0.283 -3.118 1.00 0.00 H new ATOM 0 HA THR A 28 -15.335 1.570 -0.942 1.00 0.00 H new ATOM 0 HB THR A 28 -17.382 -0.653 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.722 1.105 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.748 0.673 0.255 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.218 0.147 0.997 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.406 1.827 0.440 1.00 0.00 H new ATOM 377 N SER A 29 -14.403 -1.500 -0.683 1.00 0.00 N ATOM 378 CA SER A 29 -13.766 -2.490 0.177 1.00 0.00 C ATOM 379 C SER A 29 -12.246 -2.395 0.082 1.00 0.00 C ATOM 380 O SER A 29 -11.541 -2.517 1.084 1.00 0.00 O ATOM 381 CB SER A 29 -14.225 -3.899 -0.204 1.00 0.00 C ATOM 382 OG SER A 29 -13.366 -4.882 0.348 1.00 0.00 O ATOM 0 H SER A 29 -14.372 -1.723 -1.678 1.00 0.00 H new ATOM 0 HA SER A 29 -14.062 -2.285 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.243 -4.061 0.150 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.245 -3.997 -1.289 1.00 0.00 H new ATOM 0 HG SER A 29 -12.916 -5.366 -0.375 1.00 0.00 H new ATOM 388 N TYR A 30 -11.749 -2.176 -1.130 1.00 0.00 N ATOM 389 CA TYR A 30 -10.313 -2.067 -1.359 1.00 0.00 C ATOM 390 C TYR A 30 -10.023 -1.334 -2.665 1.00 0.00 C ATOM 391 O TYR A 30 -10.935 -0.849 -3.333 1.00 0.00 O ATOM 392 CB TYR A 30 -9.673 -3.456 -1.388 1.00 0.00 C ATOM 393 CG TYR A 30 -10.552 -4.515 -2.014 1.00 0.00 C ATOM 394 CD1 TYR A 30 -10.937 -4.427 -3.347 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.998 -5.603 -1.274 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.740 -5.392 -3.923 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.800 -6.573 -1.843 1.00 0.00 C ATOM 398 CZ TYR A 30 -12.169 -6.463 -3.167 1.00 0.00 C ATOM 399 OH TYR A 30 -12.969 -7.426 -3.737 1.00 0.00 O ATOM 0 H TYR A 30 -12.319 -2.070 -1.969 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.883 -1.493 -0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.734 -3.403 -1.939 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.428 -3.755 -0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.603 -3.590 -3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.713 -5.692 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.030 -5.308 -4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.136 -7.413 -1.254 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.182 -8.112 -3.070 1.00 0.00 H new ATOM 409 N GLY A 31 -8.745 -1.259 -3.024 1.00 0.00 N ATOM 410 CA GLY A 31 -8.356 -0.585 -4.249 1.00 0.00 C ATOM 411 C GLY A 31 -7.048 -1.106 -4.807 1.00 0.00 C ATOM 412 O GLY A 31 -6.272 -1.747 -4.097 1.00 0.00 O ATOM 0 H GLY A 31 -7.972 -1.653 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.141 -0.711 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.266 0.484 -4.059 1.00 0.00 H new ATOM 416 N PHE A 32 -6.800 -0.833 -6.084 1.00 0.00 N ATOM 417 CA PHE A 32 -5.577 -1.282 -6.739 1.00 0.00 C ATOM 418 C PHE A 32 -4.615 -0.117 -6.951 1.00 0.00 C ATOM 419 O PHE A 32 -5.037 1.019 -7.168 1.00 0.00 O ATOM 420 CB PHE A 32 -5.904 -1.939 -8.082 1.00 0.00 C ATOM 421 CG PHE A 32 -6.857 -3.095 -7.968 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.214 -2.876 -7.792 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.395 -4.399 -8.037 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.092 -3.937 -7.686 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.270 -5.465 -7.932 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.620 -5.233 -7.757 1.00 0.00 C ATOM 0 H PHE A 32 -7.430 -0.303 -6.686 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.096 -2.015 -6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.332 -1.190 -8.749 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.979 -2.285 -8.543 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.589 -1.865 -7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.340 -4.585 -8.174 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.147 -3.753 -7.548 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.898 -6.477 -7.987 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.306 -6.064 -7.676 1.00 0.00 H new ATOM 436 N ILE A 33 -3.320 -0.408 -6.886 1.00 0.00 N ATOM 437 CA ILE A 33 -2.298 0.615 -7.071 1.00 0.00 C ATOM 438 C ILE A 33 -1.313 0.216 -8.165 1.00 0.00 C ATOM 439 O ILE A 33 -0.585 -0.767 -8.030 1.00 0.00 O ATOM 440 CB ILE A 33 -1.520 0.876 -5.767 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.443 1.490 -4.712 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.331 1.787 -6.033 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.038 1.164 -3.292 1.00 0.00 C ATOM 0 H ILE A 33 -2.954 -1.343 -6.707 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.815 1.528 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.146 -0.075 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.456 2.573 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.460 1.137 -4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.209 1.962 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.335 1.315 -6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.683 2.738 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.736 1.632 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.053 0.084 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.033 1.541 -3.105 1.00 0.00 H new ATOM 455 N GLN A 34 -1.296 0.987 -9.247 1.00 0.00 N ATOM 456 CA GLN A 34 -0.399 0.715 -10.365 1.00 0.00 C ATOM 457 C GLN A 34 1.039 1.077 -10.009 1.00 0.00 C ATOM 458 O GLN A 34 1.381 2.254 -9.886 1.00 0.00 O ATOM 459 CB GLN A 34 -0.843 1.495 -11.604 1.00 0.00 C ATOM 460 CG GLN A 34 0.007 1.218 -12.833 1.00 0.00 C ATOM 461 CD GLN A 34 -0.562 0.110 -13.698 1.00 0.00 C ATOM 462 OE1 GLN A 34 -0.437 -1.128 -13.234 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -1.108 0.364 -14.772 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.892 1.805 -9.374 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.442 -0.352 -10.582 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.881 1.247 -11.827 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.810 2.562 -11.383 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.091 2.129 -13.425 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.015 0.948 -12.519 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.182 1.330 -15.090 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.486 -0.392 -15.343 1.00 0.00 H new ATOM 472 N CYS A 35 1.877 0.059 -9.845 1.00 0.00 N ATOM 473 CA CYS A 35 3.279 0.270 -9.503 1.00 0.00 C ATOM 474 C CYS A 35 4.008 1.001 -10.625 1.00 0.00 C ATOM 475 O CYS A 35 3.892 0.638 -11.795 1.00 0.00 O ATOM 476 CB CYS A 35 3.963 -1.068 -9.220 1.00 0.00 C ATOM 477 SG CYS A 35 3.454 -1.845 -7.669 1.00 0.00 S ATOM 0 H CYS A 35 1.610 -0.920 -9.943 1.00 0.00 H new ATOM 0 HA CYS A 35 3.320 0.887 -8.606 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.753 -1.752 -10.042 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.042 -0.915 -9.200 1.00 0.00 H new ATOM 0 HG CYS A 35 4.086 -2.971 -7.520 1.00 0.00 H new ATOM 483 N SER A 36 4.759 2.035 -10.259 1.00 0.00 N ATOM 484 CA SER A 36 5.504 2.822 -11.235 1.00 0.00 C ATOM 485 C SER A 36 6.951 2.347 -11.326 1.00 0.00 C ATOM 486 O SER A 36 7.762 2.930 -12.044 1.00 0.00 O ATOM 487 CB SER A 36 5.464 4.306 -10.863 1.00 0.00 C ATOM 488 OG SER A 36 4.141 4.809 -10.915 1.00 0.00 O ATOM 0 H SER A 36 4.868 2.347 -9.294 1.00 0.00 H new ATOM 0 HA SER A 36 5.034 2.686 -12.209 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.870 4.444 -9.861 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.099 4.872 -11.545 1.00 0.00 H new ATOM 0 HG SER A 36 4.142 5.758 -10.672 1.00 0.00 H new ATOM 494 N GLU A 37 7.266 1.285 -10.592 1.00 0.00 N ATOM 495 CA GLU A 37 8.615 0.732 -10.588 1.00 0.00 C ATOM 496 C GLU A 37 8.662 -0.593 -11.345 1.00 0.00 C ATOM 497 O GLU A 37 9.592 -0.851 -12.108 1.00 0.00 O ATOM 498 CB GLU A 37 9.103 0.529 -9.153 1.00 0.00 C ATOM 499 CG GLU A 37 9.279 1.826 -8.381 1.00 0.00 C ATOM 500 CD GLU A 37 10.700 2.352 -8.438 1.00 0.00 C ATOM 501 OE1 GLU A 37 11.404 2.051 -9.425 1.00 0.00 O ATOM 502 OE2 GLU A 37 11.108 3.063 -7.497 1.00 0.00 O ATOM 0 H GLU A 37 6.606 0.790 -9.992 1.00 0.00 H new ATOM 0 HA GLU A 37 9.272 1.442 -11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.393 -0.106 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.054 -0.004 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.601 2.579 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.996 1.666 -7.340 1.00 0.00 H new ATOM 509 N ARG A 38 7.652 -1.429 -11.126 1.00 0.00 N ATOM 510 CA ARG A 38 7.578 -2.727 -11.785 1.00 0.00 C ATOM 511 C ARG A 38 6.530 -2.715 -12.894 1.00 0.00 C ATOM 512 O ARG A 38 6.434 -3.658 -13.679 1.00 0.00 O ATOM 513 CB ARG A 38 7.247 -3.821 -10.768 1.00 0.00 C ATOM 514 CG ARG A 38 5.840 -3.720 -10.201 1.00 0.00 C ATOM 515 CD ARG A 38 5.513 -4.906 -9.307 1.00 0.00 C ATOM 516 NE ARG A 38 5.613 -6.175 -10.023 1.00 0.00 N ATOM 517 CZ ARG A 38 6.750 -6.845 -10.176 1.00 0.00 C ATOM 518 NH1 ARG A 38 7.878 -6.370 -9.665 1.00 0.00 N ATOM 519 NH2 ARG A 38 6.761 -7.994 -10.840 1.00 0.00 N ATOM 0 H ARG A 38 6.874 -1.230 -10.497 1.00 0.00 H new ATOM 0 HA ARG A 38 8.551 -2.936 -12.230 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.370 -4.795 -11.242 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.964 -3.773 -9.949 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.742 -2.796 -9.632 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.120 -3.669 -11.018 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.193 -4.916 -8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.505 -4.793 -8.909 1.00 0.00 H new ATOM 0 HE ARG A 38 4.763 -6.568 -10.428 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.874 -5.488 -9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.749 -6.887 -9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.896 -8.364 -11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.635 -8.507 -10.957 1.00 0.00 H new ATOM 533 N GLN A 39 5.748 -1.642 -12.951 1.00 0.00 N ATOM 534 CA GLN A 39 4.707 -1.509 -13.963 1.00 0.00 C ATOM 535 C GLN A 39 3.661 -2.608 -13.816 1.00 0.00 C ATOM 536 O GLN A 39 3.268 -3.240 -14.796 1.00 0.00 O ATOM 537 CB GLN A 39 5.320 -1.556 -15.364 1.00 0.00 C ATOM 538 CG GLN A 39 6.025 -0.270 -15.763 1.00 0.00 C ATOM 539 CD GLN A 39 6.059 -0.065 -17.265 1.00 0.00 C ATOM 540 OE1 GLN A 39 5.529 -0.875 -18.026 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.685 1.023 -17.700 1.00 0.00 N ATOM 0 H GLN A 39 5.815 -0.853 -12.309 1.00 0.00 H new ATOM 0 HA GLN A 39 4.217 -0.546 -13.820 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.031 -2.381 -15.413 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.534 -1.770 -16.088 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.521 0.576 -15.296 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.045 -0.285 -15.379 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.110 1.667 -17.034 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.740 1.214 -18.700 1.00 0.00 H new ATOM 550 N ALA A 40 3.214 -2.832 -12.584 1.00 0.00 N ATOM 551 CA ALA A 40 2.212 -3.854 -12.309 1.00 0.00 C ATOM 552 C ALA A 40 1.114 -3.315 -11.397 1.00 0.00 C ATOM 553 O ALA A 40 1.387 -2.576 -10.452 1.00 0.00 O ATOM 554 CB ALA A 40 2.865 -5.079 -11.685 1.00 0.00 C ATOM 0 H ALA A 40 3.530 -2.319 -11.761 1.00 0.00 H new ATOM 0 HA ALA A 40 1.754 -4.142 -13.255 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.105 -5.834 -11.485 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.608 -5.485 -12.372 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.350 -4.796 -10.751 1.00 0.00 H new ATOM 560 N ARG A 41 -0.127 -3.690 -11.688 1.00 0.00 N ATOM 561 CA ARG A 41 -1.266 -3.243 -10.895 1.00 0.00 C ATOM 562 C ARG A 41 -1.389 -4.059 -9.612 1.00 0.00 C ATOM 563 O ARG A 41 -1.814 -5.215 -9.637 1.00 0.00 O ATOM 564 CB ARG A 41 -2.556 -3.354 -11.709 1.00 0.00 C ATOM 565 CG ARG A 41 -3.049 -4.782 -11.876 1.00 0.00 C ATOM 566 CD ARG A 41 -3.789 -4.966 -13.192 1.00 0.00 C ATOM 567 NE ARG A 41 -3.936 -6.375 -13.545 1.00 0.00 N ATOM 568 CZ ARG A 41 -4.920 -7.146 -13.096 1.00 0.00 C ATOM 569 NH1 ARG A 41 -5.838 -6.648 -12.280 1.00 0.00 N ATOM 570 NH2 ARG A 41 -4.986 -8.420 -13.463 1.00 0.00 N ATOM 0 H ARG A 41 -0.370 -4.302 -12.467 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.103 -2.199 -10.627 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.334 -2.764 -11.224 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.393 -2.917 -12.694 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.203 -5.467 -11.834 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.709 -5.040 -11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.774 -4.505 -13.121 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.251 -4.448 -13.986 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.245 -6.790 -14.171 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.790 -5.670 -11.995 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.592 -7.243 -11.937 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.281 -8.807 -14.090 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.742 -9.012 -13.118 1.00 0.00 H new ATOM 584 N LEU A 42 -1.014 -3.451 -8.492 1.00 0.00 N ATOM 585 CA LEU A 42 -1.081 -4.120 -7.198 1.00 0.00 C ATOM 586 C LEU A 42 -2.489 -4.041 -6.617 1.00 0.00 C ATOM 587 O LEU A 42 -3.349 -3.331 -7.139 1.00 0.00 O ATOM 588 CB LEU A 42 -0.080 -3.496 -6.225 1.00 0.00 C ATOM 589 CG LEU A 42 1.331 -4.086 -6.243 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.151 -3.543 -5.083 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.274 -5.606 -6.192 1.00 0.00 C ATOM 0 H LEU A 42 -0.660 -2.495 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.827 -5.169 -7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.009 -2.430 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.479 -3.590 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 42 1.816 -3.791 -7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.152 -3.974 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.220 -2.458 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.669 -3.807 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.287 -6.009 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.771 -5.921 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.724 -5.979 -7.056 1.00 0.00 H new ATOM 603 N PHE A 43 -2.718 -4.773 -5.531 1.00 0.00 N ATOM 604 CA PHE A 43 -4.021 -4.785 -4.878 1.00 0.00 C ATOM 605 C PHE A 43 -3.889 -4.451 -3.394 1.00 0.00 C ATOM 606 O PHE A 43 -3.466 -5.286 -2.594 1.00 0.00 O ATOM 607 CB PHE A 43 -4.688 -6.151 -5.047 1.00 0.00 C ATOM 608 CG PHE A 43 -5.575 -6.533 -3.897 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.441 -5.607 -3.336 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.544 -7.816 -3.376 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.257 -5.955 -2.276 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.358 -8.170 -2.317 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.217 -7.239 -1.767 1.00 0.00 C ATOM 0 H PHE A 43 -2.018 -5.365 -5.085 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.643 -4.024 -5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.277 -6.147 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.916 -6.911 -5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.478 -4.603 -3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.875 -8.549 -3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.925 -5.224 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.322 -9.174 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.856 -7.514 -0.941 1.00 0.00 H new ATOM 623 N PHE A 44 -4.254 -3.225 -3.035 1.00 0.00 N ATOM 624 CA PHE A 44 -4.175 -2.780 -1.649 1.00 0.00 C ATOM 625 C PHE A 44 -5.541 -2.860 -0.973 1.00 0.00 C ATOM 626 O PHE A 44 -6.564 -2.532 -1.575 1.00 0.00 O ATOM 627 CB PHE A 44 -3.643 -1.346 -1.581 1.00 0.00 C ATOM 628 CG PHE A 44 -4.724 -0.304 -1.619 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.354 0.103 -0.454 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.109 0.270 -2.820 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.349 1.061 -0.486 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.103 1.230 -2.858 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.723 1.627 -1.690 1.00 0.00 C ATOM 0 H PHE A 44 -4.607 -2.522 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.488 -3.441 -1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.064 -1.225 -0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.960 -1.180 -2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.064 -0.334 0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.627 -0.036 -3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.834 1.367 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.394 1.669 -3.801 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.499 2.378 -1.717 1.00 0.00 H new ATOM 643 N HIS A 45 -5.549 -3.298 0.282 1.00 0.00 N ATOM 644 CA HIS A 45 -6.789 -3.422 1.040 1.00 0.00 C ATOM 645 C HIS A 45 -7.050 -2.164 1.863 1.00 0.00 C ATOM 646 O HIS A 45 -6.124 -1.569 2.417 1.00 0.00 O ATOM 647 CB HIS A 45 -6.730 -4.643 1.959 1.00 0.00 C ATOM 648 CG HIS A 45 -8.042 -5.351 2.099 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.210 -4.708 2.453 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.367 -6.654 1.929 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.196 -5.586 2.496 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.712 -6.774 2.182 1.00 0.00 N ATOM 0 H HIS A 45 -4.711 -3.573 0.795 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.608 -3.549 0.332 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.988 -5.342 1.573 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.389 -4.329 2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.694 -7.451 1.647 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.224 -5.369 2.746 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.249 -7.640 2.135 1.00 0.00 H new ATOM 661 N CYS A 46 -8.314 -1.764 1.938 1.00 0.00 N ATOM 662 CA CYS A 46 -8.697 -0.575 2.692 1.00 0.00 C ATOM 663 C CYS A 46 -8.106 -0.609 4.097 1.00 0.00 C ATOM 664 O CYS A 46 -8.006 0.420 4.765 1.00 0.00 O ATOM 665 CB CYS A 46 -10.220 -0.463 2.769 1.00 0.00 C ATOM 666 SG CYS A 46 -10.995 -1.675 3.863 1.00 0.00 S ATOM 0 H CYS A 46 -9.092 -2.245 1.486 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.302 0.298 2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.483 0.538 3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.633 -0.578 1.767 1.00 0.00 H new ATOM 0 HG CYS A 46 -11.584 -2.589 3.150 1.00 0.00 H new ATOM 672 N SER A 47 -7.717 -1.800 4.541 1.00 0.00 N ATOM 673 CA SER A 47 -7.140 -1.970 5.870 1.00 0.00 C ATOM 674 C SER A 47 -5.692 -1.492 5.899 1.00 0.00 C ATOM 675 O SER A 47 -5.217 -0.977 6.911 1.00 0.00 O ATOM 676 CB SER A 47 -7.215 -3.436 6.298 1.00 0.00 C ATOM 677 OG SER A 47 -6.689 -3.614 7.602 1.00 0.00 O ATOM 0 H SER A 47 -7.791 -2.662 4.000 1.00 0.00 H new ATOM 0 HA SER A 47 -7.717 -1.365 6.570 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.251 -3.773 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.660 -4.053 5.591 1.00 0.00 H new ATOM 0 HG SER A 47 -6.750 -4.559 7.853 1.00 0.00 H new ATOM 683 N GLN A 48 -4.995 -1.669 4.781 1.00 0.00 N ATOM 684 CA GLN A 48 -3.600 -1.257 4.678 1.00 0.00 C ATOM 685 C GLN A 48 -3.461 0.249 4.873 1.00 0.00 C ATOM 686 O GLN A 48 -2.673 0.708 5.700 1.00 0.00 O ATOM 687 CB GLN A 48 -3.026 -1.662 3.319 1.00 0.00 C ATOM 688 CG GLN A 48 -3.254 -3.125 2.974 1.00 0.00 C ATOM 689 CD GLN A 48 -2.693 -4.066 4.021 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.866 -3.675 4.845 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.140 -5.316 3.995 1.00 0.00 N ATOM 0 H GLN A 48 -5.373 -2.095 3.935 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.040 -1.760 5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.475 -1.040 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.955 -1.458 3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.323 -3.306 2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.793 -3.343 2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.826 -5.598 3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.798 -5.994 4.675 1.00 0.00 H new ATOM 700 N TYR A 49 -4.231 1.013 4.106 1.00 0.00 N ATOM 701 CA TYR A 49 -4.191 2.468 4.193 1.00 0.00 C ATOM 702 C TYR A 49 -4.414 2.935 5.628 1.00 0.00 C ATOM 703 O TYR A 49 -5.393 2.557 6.271 1.00 0.00 O ATOM 704 CB TYR A 49 -5.249 3.084 3.275 1.00 0.00 C ATOM 705 CG TYR A 49 -5.148 4.588 3.158 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.935 5.203 2.873 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.266 5.394 3.332 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.838 6.577 2.766 1.00 0.00 C ATOM 709 CE2 TYR A 49 -6.179 6.769 3.226 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.963 7.355 2.943 1.00 0.00 C ATOM 711 OH TYR A 49 -4.871 8.724 2.836 1.00 0.00 O ATOM 0 H TYR A 49 -4.890 0.649 3.418 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.203 2.798 3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.157 2.644 2.282 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.239 2.823 3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.053 4.596 2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.220 4.938 3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.887 7.039 2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.058 7.381 3.364 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.753 9.124 2.987 1.00 0.00 H new ATOM 721 N ASN A 50 -3.498 3.760 6.125 1.00 0.00 N ATOM 722 CA ASN A 50 -3.594 4.280 7.484 1.00 0.00 C ATOM 723 C ASN A 50 -4.625 5.401 7.567 1.00 0.00 C ATOM 724 O ASN A 50 -5.463 5.423 8.468 1.00 0.00 O ATOM 725 CB ASN A 50 -2.230 4.790 7.954 1.00 0.00 C ATOM 726 CG ASN A 50 -1.317 3.667 8.406 1.00 0.00 C ATOM 727 OD1 ASN A 50 -1.724 2.506 8.465 1.00 0.00 O ATOM 728 ND2 ASN A 50 -0.074 4.008 8.726 1.00 0.00 N ATOM 0 H ASN A 50 -2.681 4.083 5.607 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.915 3.467 8.135 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.752 5.339 7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.371 5.493 8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.587 3.295 9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.220 4.983 8.662 1.00 0.00 H new ATOM 735 N GLY A 51 -4.557 6.331 6.619 1.00 0.00 N ATOM 736 CA GLY A 51 -5.491 7.442 6.602 1.00 0.00 C ATOM 737 C GLY A 51 -6.930 6.989 6.465 1.00 0.00 C ATOM 738 O GLY A 51 -7.327 5.978 7.044 1.00 0.00 O ATOM 0 H GLY A 51 -3.872 6.335 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.381 8.019 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.243 8.108 5.776 1.00 0.00 H new ATOM 742 N ASN A 52 -7.715 7.739 5.699 1.00 0.00 N ATOM 743 CA ASN A 52 -9.121 7.409 5.490 1.00 0.00 C ATOM 744 C ASN A 52 -9.429 7.262 4.003 1.00 0.00 C ATOM 745 O ASN A 52 -9.374 8.233 3.247 1.00 0.00 O ATOM 746 CB ASN A 52 -10.016 8.487 6.104 1.00 0.00 C ATOM 747 CG ASN A 52 -11.353 7.936 6.562 1.00 0.00 C ATOM 748 OD1 ASN A 52 -11.434 6.820 7.075 1.00 0.00 O ATOM 749 ND2 ASN A 52 -12.409 8.719 6.377 1.00 0.00 N ATOM 0 H ASN A 52 -7.402 8.579 5.213 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.322 6.457 5.981 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.504 8.941 6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.183 9.277 5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.335 8.403 6.664 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.294 9.637 5.947 1.00 0.00 H new ATOM 756 N LEU A 53 -9.755 6.042 3.590 1.00 0.00 N ATOM 757 CA LEU A 53 -10.074 5.767 2.193 1.00 0.00 C ATOM 758 C LEU A 53 -10.890 6.904 1.586 1.00 0.00 C ATOM 759 O LEU A 53 -10.672 7.293 0.439 1.00 0.00 O ATOM 760 CB LEU A 53 -10.845 4.451 2.075 1.00 0.00 C ATOM 761 CG LEU A 53 -10.003 3.200 1.824 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.141 3.376 0.583 1.00 0.00 C ATOM 763 CD2 LEU A 53 -9.137 2.888 3.036 1.00 0.00 C ATOM 0 H LEU A 53 -9.805 5.228 4.202 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.137 5.683 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.414 4.303 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.567 4.547 1.264 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.677 2.360 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.549 2.475 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.780 3.551 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.475 4.228 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.544 1.994 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.472 3.728 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.774 2.717 3.904 1.00 0.00 H new ATOM 775 N GLN A 54 -11.827 7.434 2.366 1.00 0.00 N ATOM 776 CA GLN A 54 -12.674 8.527 1.905 1.00 0.00 C ATOM 777 C GLN A 54 -11.843 9.613 1.230 1.00 0.00 C ATOM 778 O GLN A 54 -12.192 10.097 0.153 1.00 0.00 O ATOM 779 CB GLN A 54 -13.457 9.122 3.077 1.00 0.00 C ATOM 780 CG GLN A 54 -14.649 8.280 3.503 1.00 0.00 C ATOM 781 CD GLN A 54 -15.534 7.889 2.336 1.00 0.00 C ATOM 782 OE1 GLN A 54 -15.649 6.711 1.996 1.00 0.00 O ATOM 783 NE2 GLN A 54 -16.166 8.878 1.714 1.00 0.00 N ATOM 0 H GLN A 54 -12.018 7.124 3.319 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.376 8.126 1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.786 9.243 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.806 10.117 2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.293 7.379 4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -15.239 8.835 4.232 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -16.042 9.840 2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.775 8.675 0.921 1.00 0.00 H new ATOM 792 N ASP A 55 -10.742 9.991 1.870 1.00 0.00 N ATOM 793 CA ASP A 55 -9.859 11.020 1.331 1.00 0.00 C ATOM 794 C ASP A 55 -9.126 10.513 0.093 1.00 0.00 C ATOM 795 O ASP A 55 -8.911 11.259 -0.863 1.00 0.00 O ATOM 796 CB ASP A 55 -8.849 11.462 2.391 1.00 0.00 C ATOM 797 CG ASP A 55 -7.937 12.567 1.897 1.00 0.00 C ATOM 798 OD1 ASP A 55 -8.447 13.528 1.284 1.00 0.00 O ATOM 799 OD2 ASP A 55 -6.712 12.470 2.121 1.00 0.00 O ATOM 0 H ASP A 55 -10.439 9.601 2.762 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.471 11.875 1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.383 11.805 3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.246 10.606 2.694 1.00 0.00 H new ATOM 804 N LEU A 56 -8.745 9.241 0.117 1.00 0.00 N ATOM 805 CA LEU A 56 -8.035 8.634 -1.004 1.00 0.00 C ATOM 806 C LEU A 56 -8.860 8.722 -2.283 1.00 0.00 C ATOM 807 O LEU A 56 -10.077 8.907 -2.239 1.00 0.00 O ATOM 808 CB LEU A 56 -7.709 7.172 -0.694 1.00 0.00 C ATOM 809 CG LEU A 56 -6.442 6.615 -1.344 1.00 0.00 C ATOM 810 CD1 LEU A 56 -5.237 7.470 -0.983 1.00 0.00 C ATOM 811 CD2 LEU A 56 -6.217 5.169 -0.923 1.00 0.00 C ATOM 0 H LEU A 56 -8.915 8.610 0.900 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.106 9.184 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.617 7.062 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.554 6.558 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.570 6.642 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.345 7.058 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.396 8.489 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.106 7.476 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.311 4.789 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.110 5.118 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.069 4.563 -1.233 1.00 0.00 H new ATOM 823 N LYS A 57 -8.191 8.586 -3.423 1.00 0.00 N ATOM 824 CA LYS A 57 -8.862 8.647 -4.716 1.00 0.00 C ATOM 825 C LYS A 57 -7.970 8.084 -5.819 1.00 0.00 C ATOM 826 O LYS A 57 -6.753 7.989 -5.659 1.00 0.00 O ATOM 827 CB LYS A 57 -9.249 10.090 -5.046 1.00 0.00 C ATOM 828 CG LYS A 57 -8.133 11.091 -4.797 1.00 0.00 C ATOM 829 CD LYS A 57 -8.481 12.463 -5.350 1.00 0.00 C ATOM 830 CE LYS A 57 -7.720 13.564 -4.627 1.00 0.00 C ATOM 831 NZ LYS A 57 -7.647 14.811 -5.438 1.00 0.00 N ATOM 0 H LYS A 57 -7.184 8.433 -3.478 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.765 8.040 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.550 10.147 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.117 10.370 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.943 11.167 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.213 10.734 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.249 12.497 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.553 12.635 -5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.207 13.777 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.711 13.219 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.121 15.537 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.160 14.613 -6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.609 15.154 -5.634 1.00 0.00 H new ATOM 845 N VAL A 58 -8.583 7.712 -6.938 1.00 0.00 N ATOM 846 CA VAL A 58 -7.845 7.161 -8.068 1.00 0.00 C ATOM 847 C VAL A 58 -7.110 8.257 -8.832 1.00 0.00 C ATOM 848 O VAL A 58 -7.704 9.263 -9.219 1.00 0.00 O ATOM 849 CB VAL A 58 -8.778 6.412 -9.037 1.00 0.00 C ATOM 850 CG1 VAL A 58 -7.998 5.890 -10.234 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.491 5.276 -8.319 1.00 0.00 C ATOM 0 H VAL A 58 -9.590 7.782 -7.086 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.119 6.458 -7.659 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.531 7.111 -9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.674 5.364 -10.907 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.539 6.726 -10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.221 5.206 -9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.146 4.758 -9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.755 4.576 -7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.084 5.680 -7.498 1.00 0.00 H new ATOM 861 N GLY A 59 -5.814 8.055 -9.046 1.00 0.00 N ATOM 862 CA GLY A 59 -5.019 9.035 -9.763 1.00 0.00 C ATOM 863 C GLY A 59 -4.117 9.835 -8.844 1.00 0.00 C ATOM 864 O GLY A 59 -3.614 10.893 -9.224 1.00 0.00 O ATOM 0 H GLY A 59 -5.300 7.230 -8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.411 8.527 -10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.682 9.715 -10.298 1.00 0.00 H new ATOM 868 N ASP A 60 -3.913 9.331 -7.633 1.00 0.00 N ATOM 869 CA ASP A 60 -3.065 10.006 -6.656 1.00 0.00 C ATOM 870 C ASP A 60 -1.918 9.102 -6.216 1.00 0.00 C ATOM 871 O ASP A 60 -2.103 7.903 -6.011 1.00 0.00 O ATOM 872 CB ASP A 60 -3.891 10.432 -5.441 1.00 0.00 C ATOM 873 CG ASP A 60 -4.616 11.744 -5.665 1.00 0.00 C ATOM 874 OD1 ASP A 60 -5.332 11.860 -6.682 1.00 0.00 O ATOM 875 OD2 ASP A 60 -4.468 12.656 -4.825 1.00 0.00 O ATOM 0 H ASP A 60 -4.323 8.457 -7.303 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.643 10.893 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.618 9.654 -5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.236 10.525 -4.575 1.00 0.00 H new ATOM 880 N ASP A 61 -0.733 9.686 -6.074 1.00 0.00 N ATOM 881 CA ASP A 61 0.445 8.935 -5.658 1.00 0.00 C ATOM 882 C ASP A 61 0.312 8.472 -4.210 1.00 0.00 C ATOM 883 O ASP A 61 -0.234 9.185 -3.368 1.00 0.00 O ATOM 884 CB ASP A 61 1.704 9.788 -5.820 1.00 0.00 C ATOM 885 CG ASP A 61 2.199 9.823 -7.252 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.464 10.336 -8.121 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.322 9.336 -7.505 1.00 0.00 O ATOM 0 H ASP A 61 -0.563 10.678 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 61 0.527 8.055 -6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.496 10.804 -5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.491 9.395 -5.176 1.00 0.00 H new ATOM 892 N VAL A 62 0.813 7.274 -3.928 1.00 0.00 N ATOM 893 CA VAL A 62 0.750 6.716 -2.582 1.00 0.00 C ATOM 894 C VAL A 62 1.899 5.746 -2.335 1.00 0.00 C ATOM 895 O VAL A 62 2.316 5.020 -3.237 1.00 0.00 O ATOM 896 CB VAL A 62 -0.585 5.987 -2.339 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.659 6.970 -1.900 1.00 0.00 C ATOM 898 CG2 VAL A 62 -1.017 5.236 -3.590 1.00 0.00 C ATOM 0 H VAL A 62 1.267 6.671 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 62 0.830 7.553 -1.888 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.442 5.262 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.595 6.436 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.350 7.458 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.803 7.722 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.962 4.727 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.143 5.941 -4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.256 4.502 -3.855 1.00 0.00 H new ATOM 908 N GLU A 63 2.407 5.739 -1.107 1.00 0.00 N ATOM 909 CA GLU A 63 3.510 4.857 -0.742 1.00 0.00 C ATOM 910 C GLU A 63 3.001 3.637 0.021 1.00 0.00 C ATOM 911 O GLU A 63 2.145 3.752 0.899 1.00 0.00 O ATOM 912 CB GLU A 63 4.536 5.611 0.107 1.00 0.00 C ATOM 913 CG GLU A 63 5.887 4.920 0.185 1.00 0.00 C ATOM 914 CD GLU A 63 6.634 5.243 1.464 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.175 4.818 2.544 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.680 5.922 1.384 1.00 0.00 O ATOM 0 H GLU A 63 2.073 6.333 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 63 3.989 4.517 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.672 6.611 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.141 5.733 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.744 3.842 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.493 5.218 -0.671 1.00 0.00 H new ATOM 923 N PHE A 64 3.533 2.469 -0.321 1.00 0.00 N ATOM 924 CA PHE A 64 3.133 1.227 0.330 1.00 0.00 C ATOM 925 C PHE A 64 4.293 0.237 0.374 1.00 0.00 C ATOM 926 O PHE A 64 5.372 0.506 -0.153 1.00 0.00 O ATOM 927 CB PHE A 64 1.943 0.603 -0.403 1.00 0.00 C ATOM 928 CG PHE A 64 2.110 0.567 -1.895 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.766 1.662 -2.670 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.611 -0.563 -2.522 1.00 0.00 C ATOM 931 CE1 PHE A 64 1.919 1.633 -4.044 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.766 -0.598 -3.895 1.00 0.00 C ATOM 933 CZ PHE A 64 2.418 0.501 -4.657 1.00 0.00 C ATOM 0 H PHE A 64 4.242 2.356 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 64 2.839 1.461 1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.794 -0.413 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.041 1.165 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.374 2.549 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.883 -1.425 -1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.649 2.494 -4.637 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.159 -1.484 -4.372 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.536 0.474 -5.730 1.00 0.00 H new ATOM 943 N GLU A 65 4.062 -0.909 1.007 1.00 0.00 N ATOM 944 CA GLU A 65 5.089 -1.938 1.121 1.00 0.00 C ATOM 945 C GLU A 65 4.606 -3.257 0.523 1.00 0.00 C ATOM 946 O GLU A 65 3.591 -3.810 0.948 1.00 0.00 O ATOM 947 CB GLU A 65 5.477 -2.142 2.587 1.00 0.00 C ATOM 948 CG GLU A 65 6.115 -3.493 2.865 1.00 0.00 C ATOM 949 CD GLU A 65 6.931 -3.501 4.144 1.00 0.00 C ATOM 950 OE1 GLU A 65 6.435 -2.986 5.168 1.00 0.00 O ATOM 951 OE2 GLU A 65 8.065 -4.022 4.119 1.00 0.00 O ATOM 0 H GLU A 65 3.174 -1.148 1.448 1.00 0.00 H new ATOM 0 HA GLU A 65 5.965 -1.605 0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.170 -1.354 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.588 -2.035 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.335 -4.252 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.757 -3.767 2.027 1.00 0.00 H new ATOM 958 N VAL A 66 5.341 -3.756 -0.466 1.00 0.00 N ATOM 959 CA VAL A 66 4.989 -5.009 -1.122 1.00 0.00 C ATOM 960 C VAL A 66 5.268 -6.202 -0.215 1.00 0.00 C ATOM 961 O VAL A 66 6.389 -6.387 0.257 1.00 0.00 O ATOM 962 CB VAL A 66 5.764 -5.189 -2.441 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.433 -6.530 -3.077 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.460 -4.046 -3.398 1.00 0.00 C ATOM 0 H VAL A 66 6.184 -3.311 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 66 3.922 -4.963 -1.339 1.00 0.00 H new ATOM 0 HB VAL A 66 6.831 -5.173 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.990 -6.639 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.707 -7.334 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.364 -6.580 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.016 -4.190 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.392 -4.027 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.754 -3.101 -2.941 1.00 0.00 H new ATOM 974 N SER A 67 4.239 -7.009 0.025 1.00 0.00 N ATOM 975 CA SER A 67 4.372 -8.184 0.879 1.00 0.00 C ATOM 976 C SER A 67 3.729 -9.404 0.228 1.00 0.00 C ATOM 977 O SER A 67 3.147 -9.311 -0.852 1.00 0.00 O ATOM 978 CB SER A 67 3.733 -7.923 2.244 1.00 0.00 C ATOM 979 OG SER A 67 4.289 -8.767 3.238 1.00 0.00 O ATOM 0 H SER A 67 3.304 -6.871 -0.360 1.00 0.00 H new ATOM 0 HA SER A 67 5.434 -8.385 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.880 -6.880 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.657 -8.088 2.183 1.00 0.00 H new ATOM 0 HG SER A 67 3.865 -8.579 4.101 1.00 0.00 H new ATOM 985 N SER A 68 3.839 -10.549 0.895 1.00 0.00 N ATOM 986 CA SER A 68 3.272 -11.790 0.381 1.00 0.00 C ATOM 987 C SER A 68 2.073 -12.227 1.217 1.00 0.00 C ATOM 988 O SER A 68 2.133 -12.242 2.447 1.00 0.00 O ATOM 989 CB SER A 68 4.331 -12.894 0.371 1.00 0.00 C ATOM 990 OG SER A 68 5.358 -12.607 -0.562 1.00 0.00 O ATOM 0 H SER A 68 4.315 -10.643 1.792 1.00 0.00 H new ATOM 0 HA SER A 68 2.935 -11.611 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.760 -13.000 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.865 -13.847 0.122 1.00 0.00 H new ATOM 0 HG SER A 68 6.023 -13.327 -0.548 1.00 0.00 H new ATOM 996 N ASP A 69 0.986 -12.582 0.541 1.00 0.00 N ATOM 997 CA ASP A 69 -0.227 -13.021 1.221 1.00 0.00 C ATOM 998 C ASP A 69 -0.011 -14.368 1.904 1.00 0.00 C ATOM 999 O ASP A 69 1.021 -15.012 1.715 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.387 -13.119 0.228 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.713 -13.388 0.911 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -3.070 -12.627 1.835 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.395 -14.359 0.521 1.00 0.00 O ATOM 0 H ASP A 69 0.920 -12.574 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.473 -12.283 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.455 -12.191 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.182 -13.915 -0.488 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.990 -14.787 2.699 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.906 -16.056 3.411 1.00 0.00 C ATOM 1010 C ARG A 70 -1.864 -17.081 2.812 1.00 0.00 C ATOM 1011 O ARG A 70 -1.985 -18.199 3.312 1.00 0.00 O ATOM 1012 CB ARG A 70 -1.221 -15.854 4.895 1.00 0.00 C ATOM 1013 CG ARG A 70 -0.489 -14.677 5.518 1.00 0.00 C ATOM 1014 CD ARG A 70 1.002 -14.949 5.639 1.00 0.00 C ATOM 1015 NE ARG A 70 1.735 -14.524 4.450 1.00 0.00 N ATOM 1016 CZ ARG A 70 2.967 -14.927 4.162 1.00 0.00 C ATOM 1017 NH1 ARG A 70 3.601 -15.762 4.973 1.00 0.00 N ATOM 1018 NH2 ARG A 70 3.567 -14.496 3.060 1.00 0.00 N ATOM 0 H ARG A 70 -1.851 -14.266 2.866 1.00 0.00 H new ATOM 0 HA ARG A 70 0.112 -16.434 3.310 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.295 -15.707 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.962 -16.762 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.649 -13.785 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.903 -14.470 6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.395 -14.429 6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.164 -16.014 5.803 1.00 0.00 H new ATOM 0 HE ARG A 70 1.275 -13.882 3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.143 -16.096 5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.547 -16.070 4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.082 -13.854 2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.513 -14.806 2.840 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.543 -16.692 1.738 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.491 -17.576 1.071 1.00 0.00 C ATOM 1034 C ARG A 71 -3.055 -17.860 -0.363 1.00 0.00 C ATOM 1035 O ARG A 71 -3.161 -18.988 -0.844 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.890 -16.955 1.077 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.390 -16.592 2.465 1.00 0.00 C ATOM 1038 CD ARG A 71 -6.907 -16.658 2.546 1.00 0.00 C ATOM 1039 NE ARG A 71 -7.545 -15.653 1.701 1.00 0.00 N ATOM 1040 CZ ARG A 71 -7.757 -14.398 2.084 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -7.384 -13.998 3.292 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -8.344 -13.542 1.258 1.00 0.00 N ATOM 0 H ARG A 71 -2.454 -15.770 1.311 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.516 -18.519 1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.883 -16.059 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.590 -17.654 0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.956 -17.271 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.054 -15.588 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.243 -17.650 2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.221 -16.515 3.580 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.844 -15.929 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.933 -14.654 3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.548 -13.034 3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.633 -13.847 0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.506 -12.579 1.552 1.00 0.00 H new ATOM 1056 N THR A 72 -2.563 -16.828 -1.042 1.00 0.00 N ATOM 1057 CA THR A 72 -2.111 -16.965 -2.420 1.00 0.00 C ATOM 1058 C THR A 72 -0.625 -16.652 -2.546 1.00 0.00 C ATOM 1059 O THR A 72 0.006 -16.981 -3.550 1.00 0.00 O ATOM 1060 CB THR A 72 -2.901 -16.040 -3.365 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.491 -14.681 -3.175 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.397 -16.163 -3.117 1.00 0.00 C ATOM 0 H THR A 72 -2.468 -15.888 -0.659 1.00 0.00 H new ATOM 0 HA THR A 72 -2.286 -18.002 -2.708 1.00 0.00 H new ATOM 0 HB THR A 72 -2.693 -16.342 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.100 -14.085 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.934 -15.501 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.711 -17.192 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.619 -15.884 -2.087 1.00 0.00 H new ATOM 1070 N GLY A 73 -0.070 -16.014 -1.520 1.00 0.00 N ATOM 1071 CA GLY A 73 1.339 -15.667 -1.536 1.00 0.00 C ATOM 1072 C GLY A 73 1.676 -14.660 -2.617 1.00 0.00 C ATOM 1073 O GLY A 73 2.843 -14.475 -2.963 1.00 0.00 O ATOM 0 H GLY A 73 -0.571 -15.731 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.621 -15.261 -0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.931 -16.570 -1.688 1.00 0.00 H new ATOM 1077 N LYS A 74 0.652 -14.006 -3.155 1.00 0.00 N ATOM 1078 CA LYS A 74 0.844 -13.011 -4.204 1.00 0.00 C ATOM 1079 C LYS A 74 1.333 -11.690 -3.618 1.00 0.00 C ATOM 1080 O LYS A 74 1.064 -11.358 -2.463 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.463 -12.790 -4.970 1.00 0.00 C ATOM 1082 CG LYS A 74 -1.069 -14.068 -5.521 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.411 -14.479 -6.828 1.00 0.00 C ATOM 1084 CE LYS A 74 -1.133 -15.654 -7.470 1.00 0.00 C ATOM 1085 NZ LYS A 74 -2.228 -15.205 -8.374 1.00 0.00 N ATOM 0 H LYS A 74 -0.320 -14.147 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 74 1.602 -13.385 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.185 -12.311 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.279 -12.100 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.959 -14.869 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.138 -13.926 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.406 -13.634 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.630 -14.746 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.419 -16.254 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.545 -16.296 -6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.695 -16.035 -8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.922 -14.653 -7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.832 -14.613 -9.132 1.00 0.00 H new ATOM 1099 N PRO A 75 2.066 -10.917 -4.432 1.00 0.00 N ATOM 1100 CA PRO A 75 2.606 -9.619 -4.017 1.00 0.00 C ATOM 1101 C PRO A 75 1.515 -8.567 -3.840 1.00 0.00 C ATOM 1102 O PRO A 75 1.028 -7.995 -4.815 1.00 0.00 O ATOM 1103 CB PRO A 75 3.536 -9.235 -5.170 1.00 0.00 C ATOM 1104 CG PRO A 75 2.993 -9.962 -6.352 1.00 0.00 C ATOM 1105 CD PRO A 75 2.425 -11.250 -5.821 1.00 0.00 C ATOM 0 HA PRO A 75 3.106 -9.677 -3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.539 -8.158 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.565 -9.528 -4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.224 -9.374 -6.853 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.776 -10.154 -7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.556 -11.573 -6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.154 -12.059 -5.865 1.00 0.00 H new ATOM 1113 N ILE A 76 1.138 -8.318 -2.590 1.00 0.00 N ATOM 1114 CA ILE A 76 0.106 -7.335 -2.287 1.00 0.00 C ATOM 1115 C ILE A 76 0.693 -6.129 -1.560 1.00 0.00 C ATOM 1116 O ILE A 76 1.834 -6.163 -1.102 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.016 -7.943 -1.425 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.442 -8.502 -0.122 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.747 -9.031 -2.198 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.442 -8.540 1.012 1.00 0.00 C ATOM 0 H ILE A 76 1.532 -8.783 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.313 -7.014 -3.240 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.730 -7.158 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.070 -9.511 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.413 -7.896 0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.537 -9.451 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.184 -8.605 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.044 -9.818 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.966 -8.948 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.796 -7.530 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.286 -9.170 0.732 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.097 -5.065 -1.456 1.00 0.00 N ATOM 1133 CA ALA A 77 0.342 -3.850 -0.781 1.00 0.00 C ATOM 1134 C ALA A 77 -0.106 -3.840 0.676 1.00 0.00 C ATOM 1135 O ALA A 77 -1.141 -4.408 1.022 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.187 -2.623 -1.507 1.00 0.00 C ATOM 0 H ALA A 77 -1.045 -5.020 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 77 1.432 -3.827 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.148 -1.723 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.187 -2.616 -2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.277 -2.649 -1.519 1.00 0.00 H new ATOM 1142 N VAL A 78 0.682 -3.189 1.528 1.00 0.00 N ATOM 1143 CA VAL A 78 0.366 -3.104 2.948 1.00 0.00 C ATOM 1144 C VAL A 78 0.884 -1.803 3.550 1.00 0.00 C ATOM 1145 O VAL A 78 1.793 -1.174 3.007 1.00 0.00 O ATOM 1146 CB VAL A 78 0.963 -4.291 3.728 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.340 -5.600 3.268 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.475 -4.325 3.569 1.00 0.00 C ATOM 0 H VAL A 78 1.543 -2.713 1.258 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.720 -3.133 3.032 1.00 0.00 H new ATOM 0 HB VAL A 78 0.735 -4.161 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.774 -6.427 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.736 -5.571 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.535 -5.742 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.881 -5.169 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.728 -4.431 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.902 -3.398 3.953 1.00 0.00 H new ATOM 1158 N LYS A 79 0.301 -1.403 4.675 1.00 0.00 N ATOM 1159 CA LYS A 79 0.704 -0.177 5.353 1.00 0.00 C ATOM 1160 C LYS A 79 0.771 0.990 4.373 1.00 0.00 C ATOM 1161 O LYS A 79 1.747 1.741 4.352 1.00 0.00 O ATOM 1162 CB LYS A 79 2.064 -0.367 6.029 1.00 0.00 C ATOM 1163 CG LYS A 79 2.139 -1.604 6.908 1.00 0.00 C ATOM 1164 CD LYS A 79 1.297 -1.447 8.163 1.00 0.00 C ATOM 1165 CE LYS A 79 0.793 -2.791 8.667 1.00 0.00 C ATOM 1166 NZ LYS A 79 0.113 -2.668 9.987 1.00 0.00 N ATOM 0 H LYS A 79 -0.453 -1.911 5.137 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.044 0.051 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.836 -0.429 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.286 0.512 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.797 -2.473 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.176 -1.792 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.888 -0.964 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.449 -0.794 7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.101 -3.215 7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.630 -3.484 8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.216 -3.605 10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.781 -2.287 10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.701 -2.027 9.900 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.273 1.137 3.564 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.333 2.215 2.582 1.00 0.00 C ATOM 1182 C LEU A 80 -0.285 3.577 3.265 1.00 0.00 C ATOM 1183 O LEU A 80 -0.683 3.719 4.422 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.608 2.097 1.745 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.439 2.278 0.236 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.305 0.929 -0.452 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.611 3.059 -0.342 1.00 0.00 C ATOM 0 H LEU A 80 -1.088 0.524 3.568 1.00 0.00 H new ATOM 0 HA LEU A 80 0.534 2.126 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.048 1.116 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.323 2.838 2.102 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.526 2.846 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.186 1.078 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.433 0.405 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.200 0.335 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.474 3.178 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.538 2.518 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.661 4.041 0.129 1.00 0.00 H new ATOM 1199 N VAL A 81 0.205 4.579 2.542 1.00 0.00 N ATOM 1200 CA VAL A 81 0.303 5.932 3.077 1.00 0.00 C ATOM 1201 C VAL A 81 0.421 6.959 1.956 1.00 0.00 C ATOM 1202 O VAL A 81 1.330 6.891 1.129 1.00 0.00 O ATOM 1203 CB VAL A 81 1.513 6.076 4.020 1.00 0.00 C ATOM 1204 CG1 VAL A 81 2.808 5.786 3.276 1.00 0.00 C ATOM 1205 CG2 VAL A 81 1.543 7.466 4.637 1.00 0.00 C ATOM 0 H VAL A 81 0.540 4.479 1.584 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.612 6.117 3.640 1.00 0.00 H new ATOM 0 HB VAL A 81 1.414 5.347 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.651 5.893 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.783 4.769 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.918 6.489 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.404 7.551 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.618 8.213 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.628 7.631 5.206 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.505 7.912 1.935 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.506 8.956 0.917 1.00 0.00 C ATOM 1217 C LYS A 82 0.756 9.807 1.010 1.00 0.00 C ATOM 1218 O LYS A 82 1.036 10.408 2.048 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.744 9.842 1.068 1.00 0.00 C ATOM 1220 CG LYS A 82 -2.214 10.458 -0.239 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.714 10.698 -0.234 1.00 0.00 C ATOM 1222 CE LYS A 82 -4.127 11.666 -1.332 1.00 0.00 C ATOM 1223 NZ LYS A 82 -3.896 13.083 -0.938 1.00 0.00 N ATOM 0 H LYS A 82 -1.265 7.983 2.612 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.528 8.476 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.554 9.250 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.525 10.640 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.694 11.401 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.953 9.800 -1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.236 9.750 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.017 11.095 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.566 11.446 -2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.182 11.521 -1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.298 13.714 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.354 13.268 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.874 13.258 -0.855 1.00 0.00 H new ATOM 1237 N ILE A 83 1.514 9.855 -0.081 1.00 0.00 N ATOM 1238 CA ILE A 83 2.744 10.635 -0.122 1.00 0.00 C ATOM 1239 C ILE A 83 2.472 12.107 0.164 1.00 0.00 C ATOM 1240 O ILE A 83 3.040 12.686 1.090 1.00 0.00 O ATOM 1241 CB ILE A 83 3.445 10.510 -1.488 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.380 9.065 -1.989 1.00 0.00 C ATOM 1243 CG2 ILE A 83 4.889 10.977 -1.388 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.316 8.784 -3.144 1.00 0.00 C ATOM 0 H ILE A 83 1.297 9.363 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 83 3.398 10.232 0.651 1.00 0.00 H new ATOM 0 HB ILE A 83 2.927 11.147 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.620 8.392 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.359 8.841 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.370 10.882 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.913 12.020 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.420 10.364 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.217 7.742 -3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.063 9.432 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.343 8.976 -2.835 1.00 0.00 H new ATOM 1256 N SER A 84 1.596 12.708 -0.636 1.00 0.00 N ATOM 1257 CA SER A 84 1.249 14.114 -0.470 1.00 0.00 C ATOM 1258 C SER A 84 -0.216 14.269 -0.074 1.00 0.00 C ATOM 1259 O SER A 84 -1.101 13.662 -0.676 1.00 0.00 O ATOM 1260 CB SER A 84 1.523 14.885 -1.763 1.00 0.00 C ATOM 1261 OG SER A 84 2.913 14.957 -2.029 1.00 0.00 O ATOM 0 H SER A 84 1.114 12.243 -1.405 1.00 0.00 H new ATOM 0 HA SER A 84 1.869 14.524 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.015 14.398 -2.595 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.112 15.891 -1.684 1.00 0.00 H new ATOM 0 HG SER A 84 3.062 15.453 -2.861 1.00 0.00 H new ATOM 1267 N GLY A 85 -0.464 15.086 0.945 1.00 0.00 N ATOM 1268 CA GLY A 85 -1.823 15.306 1.406 1.00 0.00 C ATOM 1269 C GLY A 85 -1.897 15.536 2.903 1.00 0.00 C ATOM 1270 O GLY A 85 -2.146 14.616 3.682 1.00 0.00 O ATOM 0 H GLY A 85 0.251 15.599 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.244 16.167 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.437 14.444 1.143 1.00 0.00 H new ATOM 1274 N PRO A 86 -1.676 16.790 3.325 1.00 0.00 N ATOM 1275 CA PRO A 86 -1.713 17.166 4.741 1.00 0.00 C ATOM 1276 C PRO A 86 -3.123 17.117 5.317 1.00 0.00 C ATOM 1277 O PRO A 86 -4.098 17.409 4.624 1.00 0.00 O ATOM 1278 CB PRO A 86 -1.186 18.604 4.739 1.00 0.00 C ATOM 1279 CG PRO A 86 -1.491 19.118 3.375 1.00 0.00 C ATOM 1280 CD PRO A 86 -1.373 17.936 2.452 1.00 0.00 C ATOM 0 HA PRO A 86 -1.130 16.484 5.360 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -1.673 19.205 5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.116 18.634 4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.492 19.547 3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.795 19.907 3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.074 18.004 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.374 17.860 2.022 1.00 0.00 H new ATOM 1288 N SER A 87 -3.225 16.746 6.590 1.00 0.00 N ATOM 1289 CA SER A 87 -4.518 16.655 7.259 1.00 0.00 C ATOM 1290 C SER A 87 -4.925 18.006 7.840 1.00 0.00 C ATOM 1291 O SER A 87 -4.214 18.578 8.666 1.00 0.00 O ATOM 1292 CB SER A 87 -4.469 15.604 8.369 1.00 0.00 C ATOM 1293 OG SER A 87 -5.772 15.179 8.727 1.00 0.00 O ATOM 0 H SER A 87 -2.428 16.504 7.178 1.00 0.00 H new ATOM 0 HA SER A 87 -5.262 16.358 6.520 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.882 14.747 8.037 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.965 16.017 9.243 1.00 0.00 H new ATOM 0 HG SER A 87 -5.713 14.506 9.437 1.00 0.00 H new ATOM 1299 N SER A 88 -6.074 18.510 7.401 1.00 0.00 N ATOM 1300 CA SER A 88 -6.575 19.795 7.874 1.00 0.00 C ATOM 1301 C SER A 88 -8.092 19.871 7.735 1.00 0.00 C ATOM 1302 O SER A 88 -8.681 19.223 6.870 1.00 0.00 O ATOM 1303 CB SER A 88 -5.922 20.939 7.094 1.00 0.00 C ATOM 1304 OG SER A 88 -6.220 20.849 5.712 1.00 0.00 O ATOM 0 H SER A 88 -6.675 18.048 6.719 1.00 0.00 H new ATOM 0 HA SER A 88 -6.319 19.891 8.929 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.272 21.895 7.483 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.842 20.912 7.239 1.00 0.00 H new ATOM 0 HG SER A 88 -5.793 21.592 5.236 1.00 0.00 H new ATOM 1310 N GLY A 89 -8.720 20.668 8.594 1.00 0.00 N ATOM 1311 CA GLY A 89 -10.163 20.815 8.552 1.00 0.00 C ATOM 1312 C GLY A 89 -10.642 21.476 7.274 1.00 0.00 C ATOM 1313 O GLY A 89 -10.905 20.801 6.279 1.00 0.00 O ATOM 0 H GLY A 89 -8.255 21.215 9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.628 19.834 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.490 21.406 9.408 1.00 0.00 H new TER 1317 GLY A 89