USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1043 hydrogens (23 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 33 CYS SG : rot 22:sc= -3.08! USER MOD Set 1.2: A 83 THR OG1 : rot -140:sc= 0.037 USER MOD Set 1.3: A 186 APR O2D : rot -36:sc= -1.27! USER MOD Set 1.4: A 186 APR O3D : rot -14:sc= -2.94! USER MOD Set 2.1: A 122 CYS SG : rot -39:sc= 0.738 USER MOD Set 2.2: A 186 APR O3' : rot 179:sc= 0.23 USER MOD Set 3.1: A 103 MET CE :methyl -132:sc= -1.32 (180deg=-2.29) USER MOD Set 3.2: A 117 MET CE :methyl 169:sc= -1.28 (180deg=-1.37) USER MOD Set 4.1: A 84 LYS NZ :NH3+ -108:sc=-0.00511 (180deg=-0.0493) USER MOD Set 4.2: A 92 THR OG1 : rot -150:sc= 0.833 USER MOD Set 4.3: A 95 ASN : amide:sc= 0.668 K(o=1.5,f=-0.69) USER MOD Set 5.1: A 88 SER OG : rot 180:sc= 0.0413 USER MOD Set 5.2: A 89 HIS : no HD1:sc= -0.872 K(o=-0.83,f=-1.8!) USER MOD Set 6.1: A 79 TYR OH : rot -113:sc= 2.23 USER MOD Set 6.2: A 106 HIS : no HE2:sc= 1.16 K(o=5.2,f=-3.8!) USER MOD Set 6.3: A 107 CYS SG : rot 75:sc= 1.83 USER MOD Set 7.1: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 110 ASN :FLIP amide:sc= 0.771 F(o=-0.93,f=0.77) USER MOD Set 8.1: A 38 CYS SG : rot 33:sc= 0.0338 USER MOD Set 8.2: A 63 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.06) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -2:sc= 0.641 USER MOD Single : A 6 ASN : amide:sc= 0.0648 K(o=0.065,f=-3.8!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -27:sc= 0.0318 USER MOD Single : A 16 TYR OH : rot -23:sc= 1.89 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -93:sc= 0.387 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 32 HIS : no HD1:sc= -1.05 K(o=-1,f=-2.7) USER MOD Single : A 35 SER OG : rot 160:sc= 0.0158 USER MOD Single : A 40 MET CE :methyl -130:sc= -0.517 (180deg=-1.88) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= -0.0745 (180deg=-0.0776) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.339 F(o=-4.2!,f=-0.34) USER MOD Single : A 60 ASN : amide:sc= -0.813 K(o=-0.81,f=-5.4!) USER MOD Single : A 61 GLN : amide:sc= 1.05 K(o=1,f=-5.1!) USER MOD Single : A 62 GLN : amide:sc= 0.493 K(o=0.49,f=-0.051) USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= 1.27 (180deg=1.19) USER MOD Single : A 65 SER OG : rot 36:sc= 0.0285 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0.753 USER MOD Single : A 97 GLN : amide:sc=-0.00298 K(o=-0.003,f=-0.86) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 97:sc= 0.282 USER MOD Single : A 104 LYS NZ :NH3+ -108:sc= 0.574 (180deg=0.00627) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -170:sc= -0.0194 (180deg=-0.169) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 143:sc= 0.463 USER MOD Single : A 128 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.31) USER MOD Single : A 131 ASN :FLIP amide:sc= -1.11 F(o=-3.3!,f=-1.1) USER MOD Single : A 133 SER OG : rot 180:sc= -0.098 USER MOD Single : A 135 MET CE :methyl 157:sc= -0.0887 (180deg=-0.482) USER MOD Single : A 143 THR OG1 : rot -36:sc= 1.17 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 173:sc= 1.12 USER MOD Single : A 186 APR O1D : rot -170:sc= -0.427 USER MOD Single : A 186 APR O2' : rot -92:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -29.373 17.137 -18.577 1.00 23.00 N ATOM 2 CA SER A 3 -28.350 17.727 -17.790 1.00 1.44 C ATOM 3 C SER A 3 -28.412 17.153 -16.388 1.00 21.20 C ATOM 4 O SER A 3 -29.115 17.649 -15.508 1.00 44.24 O ATOM 5 CB SER A 3 -28.419 19.265 -17.801 1.00 1.32 C ATOM 6 OG SER A 3 -27.315 19.840 -17.108 1.00 0.35 O ATOM 0 HA SER A 3 -27.382 17.481 -18.226 1.00 1.44 H new ATOM 0 HB2 SER A 3 -28.431 19.623 -18.831 1.00 1.32 H new ATOM 0 HB3 SER A 3 -29.351 19.592 -17.339 1.00 1.32 H new ATOM 0 HG SER A 3 -27.386 20.817 -17.133 1.00 0.35 H new ATOM 12 N SER A 4 -27.777 16.038 -16.245 1.00 12.50 N ATOM 13 CA SER A 4 -27.635 15.345 -15.011 1.00 3.34 C ATOM 14 C SER A 4 -26.376 14.535 -15.115 1.00 25.23 C ATOM 15 O SER A 4 -26.376 13.425 -15.654 1.00 40.23 O ATOM 16 CB SER A 4 -28.855 14.441 -14.728 1.00 41.52 C ATOM 17 OG SER A 4 -30.058 15.208 -14.694 1.00 50.12 O ATOM 0 H SER A 4 -27.321 15.563 -17.024 1.00 12.50 H new ATOM 0 HA SER A 4 -27.579 16.048 -14.180 1.00 3.34 H new ATOM 0 HB2 SER A 4 -28.930 13.673 -15.498 1.00 41.52 H new ATOM 0 HB3 SER A 4 -28.719 13.927 -13.776 1.00 41.52 H new ATOM 0 HG SER A 4 -29.846 16.155 -14.827 1.00 50.12 H new ATOM 23 N LEU A 5 -25.293 15.128 -14.718 1.00 71.25 N ATOM 24 CA LEU A 5 -24.027 14.480 -14.800 1.00 43.04 C ATOM 25 C LEU A 5 -23.479 14.285 -13.420 1.00 55.01 C ATOM 26 O LEU A 5 -22.934 15.204 -12.806 1.00 52.00 O ATOM 27 CB LEU A 5 -23.060 15.271 -15.687 1.00 14.33 C ATOM 28 CG LEU A 5 -21.685 14.639 -15.926 1.00 13.41 C ATOM 29 CD1 LEU A 5 -21.835 13.274 -16.579 1.00 24.10 C ATOM 30 CD2 LEU A 5 -20.835 15.547 -16.794 1.00 74.41 C ATOM 0 H LEU A 5 -25.264 16.071 -14.330 1.00 71.25 H new ATOM 0 HA LEU A 5 -24.153 13.502 -15.265 1.00 43.04 H new ATOM 0 HB2 LEU A 5 -23.536 15.430 -16.655 1.00 14.33 H new ATOM 0 HB3 LEU A 5 -22.911 16.254 -15.239 1.00 14.33 H new ATOM 0 HG LEU A 5 -21.189 14.510 -14.964 1.00 13.41 H new ATOM 0 HD11 LEU A 5 -20.849 12.838 -16.742 1.00 24.10 H new ATOM 0 HD12 LEU A 5 -22.417 12.621 -15.928 1.00 24.10 H new ATOM 0 HD13 LEU A 5 -22.346 13.382 -17.535 1.00 24.10 H new ATOM 0 HD21 LEU A 5 -19.860 15.087 -16.957 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -21.329 15.700 -17.754 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -20.704 16.508 -16.296 1.00 74.41 H new ATOM 38 N ASN A 6 -23.669 13.116 -12.918 1.00 24.32 N ATOM 39 CA ASN A 6 -23.243 12.788 -11.595 1.00 0.10 C ATOM 40 C ASN A 6 -22.285 11.631 -11.631 1.00 31.04 C ATOM 41 O ASN A 6 -22.322 10.812 -12.548 1.00 44.03 O ATOM 42 CB ASN A 6 -24.444 12.449 -10.693 1.00 61.40 C ATOM 43 CG ASN A 6 -25.237 11.211 -11.135 1.00 2.31 C ATOM 44 OD1 ASN A 6 -25.335 10.879 -12.330 1.00 60.21 O ATOM 45 ND2 ASN A 6 -25.797 10.527 -10.186 1.00 11.14 N ATOM 0 H ASN A 6 -24.127 12.352 -13.414 1.00 24.32 H new ATOM 0 HA ASN A 6 -22.738 13.659 -11.177 1.00 0.10 H new ATOM 0 HB2 ASN A 6 -24.086 12.293 -9.675 1.00 61.40 H new ATOM 0 HB3 ASN A 6 -25.117 13.306 -10.666 1.00 61.40 H new ATOM 0 HD21 ASN A 6 -26.336 9.691 -10.410 1.00 11.14 H new ATOM 0 HD22 ASN A 6 -25.698 10.825 -9.216 1.00 11.14 H new ATOM 51 N GLU A 7 -21.431 11.573 -10.668 1.00 41.00 N ATOM 52 CA GLU A 7 -20.489 10.505 -10.557 1.00 34.53 C ATOM 53 C GLU A 7 -20.210 10.288 -9.095 1.00 21.10 C ATOM 54 O GLU A 7 -19.546 11.109 -8.441 1.00 53.22 O ATOM 55 CB GLU A 7 -19.207 10.823 -11.339 1.00 33.55 C ATOM 56 CG GLU A 7 -18.197 9.691 -11.365 1.00 23.52 C ATOM 57 CD GLU A 7 -17.003 10.014 -12.218 1.00 72.42 C ATOM 58 OE1 GLU A 7 -17.105 9.884 -13.464 1.00 64.24 O ATOM 59 OE2 GLU A 7 -15.945 10.389 -11.672 1.00 14.41 O ATOM 0 H GLU A 7 -21.363 12.270 -9.927 1.00 41.00 H new ATOM 0 HA GLU A 7 -20.896 9.592 -10.991 1.00 34.53 H new ATOM 0 HB2 GLU A 7 -19.474 11.080 -12.364 1.00 33.55 H new ATOM 0 HB3 GLU A 7 -18.737 11.704 -10.902 1.00 33.55 H new ATOM 0 HG2 GLU A 7 -17.868 9.477 -10.348 1.00 23.52 H new ATOM 0 HG3 GLU A 7 -18.676 8.787 -11.742 1.00 23.52 H new ATOM 66 N ASP A 8 -20.760 9.235 -8.570 1.00 61.14 N ATOM 67 CA ASP A 8 -20.649 8.930 -7.170 1.00 60.43 C ATOM 68 C ASP A 8 -19.919 7.644 -6.933 1.00 45.40 C ATOM 69 O ASP A 8 -20.469 6.553 -7.161 1.00 14.43 O ATOM 70 CB ASP A 8 -22.029 8.852 -6.494 1.00 2.11 C ATOM 71 CG ASP A 8 -22.738 10.172 -6.432 1.00 14.03 C ATOM 72 OD1 ASP A 8 -22.519 10.919 -5.458 1.00 12.23 O ATOM 73 OD2 ASP A 8 -23.518 10.491 -7.346 1.00 4.52 O ATOM 0 H ASP A 8 -21.303 8.556 -9.103 1.00 61.14 H new ATOM 0 HA ASP A 8 -20.079 9.747 -6.729 1.00 60.43 H new ATOM 0 HB2 ASP A 8 -22.651 8.139 -7.036 1.00 2.11 H new ATOM 0 HB3 ASP A 8 -21.908 8.465 -5.482 1.00 2.11 H new ATOM 78 N PRO A 9 -18.656 7.725 -6.526 1.00 41.22 N ATOM 79 CA PRO A 9 -17.927 6.566 -6.100 1.00 60.43 C ATOM 80 C PRO A 9 -18.397 6.192 -4.714 1.00 53.12 C ATOM 81 O PRO A 9 -18.360 7.013 -3.779 1.00 3.04 O ATOM 82 CB PRO A 9 -16.468 7.011 -6.056 1.00 44.45 C ATOM 83 CG PRO A 9 -16.448 8.390 -6.644 1.00 34.25 C ATOM 84 CD PRO A 9 -17.833 8.936 -6.468 1.00 14.11 C ATOM 0 HA PRO A 9 -18.065 5.706 -6.755 1.00 60.43 H new ATOM 0 HB2 PRO A 9 -16.090 7.016 -5.033 1.00 44.45 H new ATOM 0 HB3 PRO A 9 -15.834 6.332 -6.627 1.00 44.45 H new ATOM 0 HG2 PRO A 9 -15.714 9.018 -6.139 1.00 34.25 H new ATOM 0 HG3 PRO A 9 -16.172 8.361 -7.698 1.00 34.25 H new ATOM 0 HD2 PRO A 9 -17.946 9.459 -5.519 1.00 14.11 H new ATOM 0 HD3 PRO A 9 -18.094 9.643 -7.255 1.00 14.11 H new ATOM 92 N GLU A 10 -18.862 5.008 -4.583 1.00 13.34 N ATOM 93 CA GLU A 10 -19.397 4.546 -3.343 1.00 33.21 C ATOM 94 C GLU A 10 -18.739 3.238 -2.988 1.00 60.34 C ATOM 95 O GLU A 10 -19.071 2.178 -3.536 1.00 22.31 O ATOM 96 CB GLU A 10 -20.941 4.445 -3.413 1.00 52.13 C ATOM 97 CG GLU A 10 -21.620 4.065 -2.098 1.00 55.12 C ATOM 98 CD GLU A 10 -23.138 4.115 -2.184 1.00 65.31 C ATOM 99 OE1 GLU A 10 -23.768 3.104 -2.543 1.00 54.34 O ATOM 100 OE2 GLU A 10 -23.723 5.183 -1.889 1.00 13.10 O ATOM 0 H GLU A 10 -18.886 4.319 -5.335 1.00 13.34 H new ATOM 0 HA GLU A 10 -19.180 5.260 -2.549 1.00 33.21 H new ATOM 0 HB2 GLU A 10 -21.339 5.403 -3.747 1.00 52.13 H new ATOM 0 HB3 GLU A 10 -21.209 3.708 -4.170 1.00 52.13 H new ATOM 0 HG2 GLU A 10 -21.310 3.060 -1.811 1.00 55.12 H new ATOM 0 HG3 GLU A 10 -21.283 4.740 -1.311 1.00 55.12 H new ATOM 107 N GLY A 11 -17.757 3.337 -2.145 1.00 10.44 N ATOM 108 CA GLY A 11 -17.015 2.198 -1.720 1.00 4.42 C ATOM 109 C GLY A 11 -15.609 2.591 -1.395 1.00 35.33 C ATOM 110 O GLY A 11 -14.753 2.619 -2.265 1.00 32.14 O ATOM 0 H GLY A 11 -17.449 4.217 -1.732 1.00 10.44 H new ATOM 0 HA2 GLY A 11 -17.488 1.753 -0.845 1.00 4.42 H new ATOM 0 HA3 GLY A 11 -17.017 1.440 -2.504 1.00 4.42 H new ATOM 114 N SER A 12 -15.372 2.925 -0.150 1.00 62.03 N ATOM 115 CA SER A 12 -14.059 3.353 0.273 1.00 71.23 C ATOM 116 C SER A 12 -13.161 2.159 0.570 1.00 51.13 C ATOM 117 O SER A 12 -11.953 2.303 0.706 1.00 62.22 O ATOM 118 CB SER A 12 -14.186 4.244 1.505 1.00 54.45 C ATOM 119 OG SER A 12 -15.024 5.357 1.231 1.00 33.14 O ATOM 0 H SER A 12 -16.073 2.909 0.591 1.00 62.03 H new ATOM 0 HA SER A 12 -13.599 3.919 -0.537 1.00 71.23 H new ATOM 0 HB2 SER A 12 -14.595 3.669 2.336 1.00 54.45 H new ATOM 0 HB3 SER A 12 -13.200 4.591 1.813 1.00 54.45 H new ATOM 0 HG SER A 12 -15.096 5.917 2.032 1.00 33.14 H new ATOM 125 N ARG A 13 -13.761 0.977 0.633 1.00 64.10 N ATOM 126 CA ARG A 13 -13.037 -0.233 0.979 1.00 30.44 C ATOM 127 C ARG A 13 -12.073 -0.613 -0.135 1.00 50.10 C ATOM 128 O ARG A 13 -10.880 -0.737 0.095 1.00 23.40 O ATOM 129 CB ARG A 13 -14.007 -1.387 1.281 1.00 2.11 C ATOM 130 CG ARG A 13 -15.022 -1.070 2.370 1.00 34.01 C ATOM 131 CD ARG A 13 -15.951 -2.244 2.645 1.00 62.12 C ATOM 132 NE ARG A 13 -16.974 -1.899 3.637 1.00 0.22 N ATOM 133 CZ ARG A 13 -17.302 -2.639 4.710 1.00 62.01 C ATOM 134 NH1 ARG A 13 -16.646 -3.757 4.995 1.00 15.34 N ATOM 135 NH2 ARG A 13 -18.291 -2.241 5.512 1.00 51.24 N ATOM 0 H ARG A 13 -14.754 0.834 0.447 1.00 64.10 H new ATOM 0 HA ARG A 13 -12.458 -0.038 1.882 1.00 30.44 H new ATOM 0 HB2 ARG A 13 -14.539 -1.650 0.367 1.00 2.11 H new ATOM 0 HB3 ARG A 13 -13.432 -2.264 1.578 1.00 2.11 H new ATOM 0 HG2 ARG A 13 -14.497 -0.801 3.287 1.00 34.01 H new ATOM 0 HG3 ARG A 13 -15.612 -0.203 2.074 1.00 34.01 H new ATOM 0 HD2 ARG A 13 -16.432 -2.554 1.717 1.00 62.12 H new ATOM 0 HD3 ARG A 13 -15.369 -3.094 3.001 1.00 62.12 H new ATOM 0 HE ARG A 13 -17.479 -1.023 3.501 1.00 0.22 H new ATOM 0 HH11 ARG A 13 -15.880 -4.066 4.396 1.00 15.34 H new ATOM 0 HH12 ARG A 13 -16.907 -4.307 5.813 1.00 15.34 H new ATOM 0 HH21 ARG A 13 -18.795 -1.378 5.310 1.00 51.24 H new ATOM 0 HH22 ARG A 13 -18.543 -2.800 6.327 1.00 51.24 H new ATOM 147 N ILE A 14 -12.596 -0.792 -1.339 1.00 15.02 N ATOM 148 CA ILE A 14 -11.780 -1.128 -2.498 1.00 72.20 C ATOM 149 C ILE A 14 -12.286 -0.303 -3.687 1.00 43.43 C ATOM 150 O ILE A 14 -13.486 -0.092 -3.824 1.00 62.11 O ATOM 151 CB ILE A 14 -11.903 -2.646 -2.894 1.00 41.44 C ATOM 152 CG1 ILE A 14 -11.618 -3.606 -1.706 1.00 64.33 C ATOM 153 CG2 ILE A 14 -10.968 -2.962 -4.067 1.00 11.21 C ATOM 154 CD1 ILE A 14 -10.203 -3.562 -1.151 1.00 12.44 C ATOM 0 H ILE A 14 -13.592 -0.709 -1.540 1.00 15.02 H new ATOM 0 HA ILE A 14 -10.740 -0.918 -2.249 1.00 72.20 H new ATOM 0 HB ILE A 14 -12.938 -2.813 -3.192 1.00 41.44 H new ATOM 0 HG12 ILE A 14 -12.313 -3.373 -0.899 1.00 64.33 H new ATOM 0 HG13 ILE A 14 -11.832 -4.626 -2.027 1.00 64.33 H new ATOM 0 HG21 ILE A 14 -11.061 -4.015 -4.333 1.00 11.21 H new ATOM 0 HG22 ILE A 14 -11.239 -2.346 -4.924 1.00 11.21 H new ATOM 0 HG23 ILE A 14 -9.938 -2.750 -3.779 1.00 11.21 H new ATOM 0 HD11 ILE A 14 -10.113 -4.270 -0.327 1.00 12.44 H new ATOM 0 HD12 ILE A 14 -9.496 -3.828 -1.936 1.00 12.44 H new ATOM 0 HD13 ILE A 14 -9.984 -2.557 -0.791 1.00 12.44 H new ATOM 161 N THR A 15 -11.393 0.203 -4.497 1.00 62.30 N ATOM 162 CA THR A 15 -11.774 0.893 -5.707 1.00 40.55 C ATOM 163 C THR A 15 -10.837 0.484 -6.854 1.00 62.40 C ATOM 164 O THR A 15 -9.652 0.750 -6.803 1.00 71.14 O ATOM 165 CB THR A 15 -11.701 2.428 -5.505 1.00 73.23 C ATOM 166 OG1 THR A 15 -12.494 2.802 -4.365 1.00 31.41 O ATOM 167 CG2 THR A 15 -12.227 3.162 -6.735 1.00 13.24 C ATOM 0 H THR A 15 -10.386 0.150 -4.340 1.00 62.30 H new ATOM 0 HA THR A 15 -12.800 0.619 -5.954 1.00 40.55 H new ATOM 0 HB THR A 15 -10.658 2.704 -5.346 1.00 73.23 H new ATOM 0 HG1 THR A 15 -13.216 2.151 -4.241 1.00 31.41 H new ATOM 0 HG21 THR A 15 -12.166 4.238 -6.570 1.00 13.24 H new ATOM 0 HG22 THR A 15 -11.626 2.893 -7.604 1.00 13.24 H new ATOM 0 HG23 THR A 15 -13.265 2.880 -6.911 1.00 13.24 H new ATOM 173 N TYR A 16 -11.374 -0.172 -7.858 1.00 71.15 N ATOM 174 CA TYR A 16 -10.606 -0.597 -9.026 1.00 20.10 C ATOM 175 C TYR A 16 -10.538 0.465 -10.097 1.00 20.42 C ATOM 176 O TYR A 16 -11.555 0.839 -10.673 1.00 52.05 O ATOM 177 CB TYR A 16 -11.183 -1.879 -9.639 1.00 33.14 C ATOM 178 CG TYR A 16 -10.654 -3.179 -9.079 1.00 70.00 C ATOM 179 CD1 TYR A 16 -10.960 -3.621 -7.802 1.00 64.12 C ATOM 180 CD2 TYR A 16 -9.838 -3.977 -9.863 1.00 52.12 C ATOM 181 CE1 TYR A 16 -10.459 -4.826 -7.331 1.00 0.12 C ATOM 182 CE2 TYR A 16 -9.345 -5.168 -9.409 1.00 12.32 C ATOM 183 CZ TYR A 16 -9.653 -5.593 -8.151 1.00 12.41 C ATOM 184 OH TYR A 16 -9.148 -6.794 -7.706 1.00 1.14 O ATOM 0 H TYR A 16 -12.360 -0.431 -7.896 1.00 71.15 H new ATOM 0 HA TYR A 16 -9.596 -0.784 -8.661 1.00 20.10 H new ATOM 0 HB2 TYR A 16 -12.265 -1.865 -9.509 1.00 33.14 H new ATOM 0 HB3 TYR A 16 -10.990 -1.864 -10.712 1.00 33.14 H new ATOM 0 HD1 TYR A 16 -11.595 -3.021 -7.167 1.00 64.12 H new ATOM 0 HD2 TYR A 16 -9.584 -3.649 -10.860 1.00 52.12 H new ATOM 0 HE1 TYR A 16 -10.697 -5.162 -6.332 1.00 0.12 H new ATOM 0 HE2 TYR A 16 -8.713 -5.771 -10.045 1.00 12.32 H new ATOM 0 HH TYR A 16 -9.128 -6.797 -6.726 1.00 1.14 H new ATOM 194 N VAL A 17 -9.354 0.954 -10.358 1.00 4.25 N ATOM 195 CA VAL A 17 -9.136 1.868 -11.461 1.00 64.10 C ATOM 196 C VAL A 17 -8.188 1.201 -12.394 1.00 31.41 C ATOM 197 O VAL A 17 -7.157 0.680 -11.956 1.00 62.44 O ATOM 198 CB VAL A 17 -8.485 3.199 -11.027 1.00 21.15 C ATOM 199 CG1 VAL A 17 -8.395 4.180 -12.197 1.00 55.53 C ATOM 200 CG2 VAL A 17 -9.214 3.807 -9.880 1.00 34.03 C ATOM 0 H VAL A 17 -8.516 0.735 -9.820 1.00 4.25 H new ATOM 0 HA VAL A 17 -10.105 2.099 -11.904 1.00 64.10 H new ATOM 0 HB VAL A 17 -7.470 2.976 -10.699 1.00 21.15 H new ATOM 0 HG11 VAL A 17 -7.932 5.107 -11.859 1.00 55.53 H new ATOM 0 HG12 VAL A 17 -7.792 3.743 -12.993 1.00 55.53 H new ATOM 0 HG13 VAL A 17 -9.396 4.390 -12.573 1.00 55.53 H new ATOM 0 HG21 VAL A 17 -8.732 4.743 -9.597 1.00 34.03 H new ATOM 0 HG22 VAL A 17 -10.247 4.003 -10.168 1.00 34.03 H new ATOM 0 HG23 VAL A 17 -9.198 3.120 -9.034 1.00 34.03 H new ATOM 206 N LYS A 18 -8.501 1.179 -13.645 1.00 12.22 N ATOM 207 CA LYS A 18 -7.614 0.599 -14.567 1.00 34.43 C ATOM 208 C LYS A 18 -6.669 1.590 -15.128 1.00 55.22 C ATOM 209 O LYS A 18 -6.871 2.155 -16.203 1.00 11.11 O ATOM 210 CB LYS A 18 -8.284 -0.251 -15.607 1.00 72.22 C ATOM 211 CG LYS A 18 -8.961 -1.447 -14.988 1.00 45.10 C ATOM 212 CD LYS A 18 -9.527 -2.393 -16.022 1.00 44.03 C ATOM 213 CE LYS A 18 -8.412 -3.041 -16.841 1.00 65.01 C ATOM 214 NZ LYS A 18 -8.932 -3.980 -17.849 1.00 72.40 N ATOM 0 H LYS A 18 -9.362 1.556 -14.041 1.00 12.22 H new ATOM 0 HA LYS A 18 -7.012 -0.109 -13.997 1.00 34.43 H new ATOM 0 HB2 LYS A 18 -9.019 0.345 -16.148 1.00 72.22 H new ATOM 0 HB3 LYS A 18 -7.546 -0.586 -16.336 1.00 72.22 H new ATOM 0 HG2 LYS A 18 -8.246 -1.982 -14.364 1.00 45.10 H new ATOM 0 HG3 LYS A 18 -9.764 -1.107 -14.333 1.00 45.10 H new ATOM 0 HD2 LYS A 18 -10.117 -3.166 -15.529 1.00 44.03 H new ATOM 0 HD3 LYS A 18 -10.202 -1.851 -16.685 1.00 44.03 H new ATOM 0 HE2 LYS A 18 -7.830 -2.264 -17.337 1.00 65.01 H new ATOM 0 HE3 LYS A 18 -7.733 -3.569 -16.172 1.00 65.01 H new ATOM 0 HZ1 LYS A 18 -8.139 -4.394 -18.379 1.00 72.40 H new ATOM 0 HZ2 LYS A 18 -9.465 -4.737 -17.376 1.00 72.40 H new ATOM 0 HZ3 LYS A 18 -9.560 -3.473 -18.505 1.00 72.40 H new ATOM 228 N GLY A 19 -5.678 1.834 -14.357 1.00 52.43 N ATOM 229 CA GLY A 19 -4.639 2.748 -14.721 1.00 42.35 C ATOM 230 C GLY A 19 -3.356 2.424 -14.015 1.00 54.31 C ATOM 231 O GLY A 19 -3.271 1.416 -13.318 1.00 34.43 O ATOM 0 H GLY A 19 -5.554 1.404 -13.440 1.00 52.43 H new ATOM 0 HA2 GLY A 19 -4.482 2.713 -15.799 1.00 42.35 H new ATOM 0 HA3 GLY A 19 -4.944 3.765 -14.476 1.00 42.35 H new ATOM 235 N ASP A 20 -2.379 3.279 -14.178 1.00 45.44 N ATOM 236 CA ASP A 20 -1.062 3.096 -13.579 1.00 72.11 C ATOM 237 C ASP A 20 -1.077 3.575 -12.133 1.00 55.51 C ATOM 238 O ASP A 20 -1.671 4.617 -11.826 1.00 4.14 O ATOM 239 CB ASP A 20 -0.023 3.882 -14.375 1.00 5.13 C ATOM 240 CG ASP A 20 1.373 3.761 -13.819 1.00 3.11 C ATOM 241 OD1 ASP A 20 2.095 2.833 -14.202 1.00 3.30 O ATOM 242 OD2 ASP A 20 1.779 4.624 -13.015 1.00 60.41 O ATOM 0 H ASP A 20 -2.466 4.131 -14.732 1.00 45.44 H new ATOM 0 HA ASP A 20 -0.804 2.037 -13.598 1.00 72.11 H new ATOM 0 HB2 ASP A 20 -0.027 3.533 -15.408 1.00 5.13 H new ATOM 0 HB3 ASP A 20 -0.309 4.934 -14.393 1.00 5.13 H new ATOM 247 N LEU A 21 -0.416 2.839 -11.256 1.00 63.01 N ATOM 248 CA LEU A 21 -0.417 3.134 -9.823 1.00 54.35 C ATOM 249 C LEU A 21 0.239 4.473 -9.516 1.00 10.41 C ATOM 250 O LEU A 21 -0.188 5.191 -8.624 1.00 13.03 O ATOM 251 CB LEU A 21 0.316 2.035 -9.060 1.00 42.43 C ATOM 252 CG LEU A 21 0.318 2.149 -7.542 1.00 51.33 C ATOM 253 CD1 LEU A 21 -1.083 2.037 -6.995 1.00 11.31 C ATOM 254 CD2 LEU A 21 1.206 1.099 -6.933 1.00 1.10 C ATOM 0 H LEU A 21 0.137 2.021 -11.511 1.00 63.01 H new ATOM 0 HA LEU A 21 -1.459 3.183 -9.506 1.00 54.35 H new ATOM 0 HB2 LEU A 21 -0.129 1.077 -9.330 1.00 42.43 H new ATOM 0 HB3 LEU A 21 1.351 2.014 -9.402 1.00 42.43 H new ATOM 0 HG LEU A 21 0.711 3.130 -7.276 1.00 51.33 H new ATOM 0 HD11 LEU A 21 -1.057 2.121 -5.909 1.00 11.31 H new ATOM 0 HD12 LEU A 21 -1.699 2.836 -7.406 1.00 11.31 H new ATOM 0 HD13 LEU A 21 -1.507 1.072 -7.274 1.00 11.31 H new ATOM 0 HD21 LEU A 21 1.194 1.197 -5.848 1.00 1.10 H new ATOM 0 HD22 LEU A 21 0.844 0.110 -7.212 1.00 1.10 H new ATOM 0 HD23 LEU A 21 2.225 1.228 -7.298 1.00 1.10 H new ATOM 262 N PHE A 22 1.256 4.808 -10.264 1.00 13.51 N ATOM 263 CA PHE A 22 2.030 6.009 -10.022 1.00 70.21 C ATOM 264 C PHE A 22 1.333 7.267 -10.533 1.00 24.52 C ATOM 265 O PHE A 22 1.859 8.374 -10.403 1.00 21.40 O ATOM 266 CB PHE A 22 3.449 5.871 -10.572 1.00 63.03 C ATOM 267 CG PHE A 22 4.219 4.750 -9.928 1.00 1.13 C ATOM 268 CD1 PHE A 22 4.859 4.948 -8.717 1.00 50.51 C ATOM 269 CD2 PHE A 22 4.280 3.493 -10.514 1.00 12.03 C ATOM 270 CE1 PHE A 22 5.549 3.926 -8.109 1.00 24.53 C ATOM 271 CE2 PHE A 22 4.963 2.471 -9.908 1.00 53.02 C ATOM 272 CZ PHE A 22 5.600 2.686 -8.704 1.00 13.11 C ATOM 0 H PHE A 22 1.577 4.259 -11.061 1.00 13.51 H new ATOM 0 HA PHE A 22 2.108 6.128 -8.941 1.00 70.21 H new ATOM 0 HB2 PHE A 22 3.402 5.702 -11.648 1.00 63.03 H new ATOM 0 HB3 PHE A 22 3.985 6.808 -10.420 1.00 63.03 H new ATOM 0 HD1 PHE A 22 4.816 5.918 -8.244 1.00 50.51 H new ATOM 0 HD2 PHE A 22 3.784 3.319 -11.457 1.00 12.03 H new ATOM 0 HE1 PHE A 22 6.050 4.096 -7.167 1.00 24.53 H new ATOM 0 HE2 PHE A 22 5.002 1.497 -10.373 1.00 53.02 H new ATOM 0 HZ PHE A 22 6.139 1.881 -8.228 1.00 13.11 H new ATOM 282 N ALA A 23 0.154 7.097 -11.108 1.00 60.40 N ATOM 283 CA ALA A 23 -0.625 8.212 -11.618 1.00 45.13 C ATOM 284 C ALA A 23 -1.532 8.792 -10.517 1.00 72.15 C ATOM 285 O ALA A 23 -2.314 9.715 -10.756 1.00 4.52 O ATOM 286 CB ALA A 23 -1.453 7.771 -12.822 1.00 52.21 C ATOM 0 H ALA A 23 -0.288 6.186 -11.234 1.00 60.40 H new ATOM 0 HA ALA A 23 0.061 8.996 -11.938 1.00 45.13 H new ATOM 0 HB1 ALA A 23 -2.032 8.616 -13.195 1.00 52.21 H new ATOM 0 HB2 ALA A 23 -0.789 7.411 -13.608 1.00 52.21 H new ATOM 0 HB3 ALA A 23 -2.130 6.970 -12.524 1.00 52.21 H new ATOM 292 N CYS A 24 -1.398 8.248 -9.323 1.00 1.22 N ATOM 293 CA CYS A 24 -2.184 8.634 -8.153 1.00 21.44 C ATOM 294 C CYS A 24 -1.933 10.102 -7.697 1.00 43.53 C ATOM 295 O CYS A 24 -0.853 10.665 -7.941 1.00 32.34 O ATOM 296 CB CYS A 24 -1.873 7.655 -7.026 1.00 61.34 C ATOM 297 SG CYS A 24 -0.104 7.418 -6.755 1.00 22.30 S ATOM 0 H CYS A 24 -0.725 7.507 -9.128 1.00 1.22 H new ATOM 0 HA CYS A 24 -3.239 8.592 -8.423 1.00 21.44 H new ATOM 0 HB2 CYS A 24 -2.330 8.016 -6.104 1.00 61.34 H new ATOM 0 HB3 CYS A 24 -2.331 6.692 -7.253 1.00 61.34 H new ATOM 0 HG CYS A 24 0.306 6.391 -7.439 1.00 22.30 H new ATOM 303 N PRO A 25 -2.949 10.737 -7.047 1.00 3.31 N ATOM 304 CA PRO A 25 -2.867 12.132 -6.530 1.00 0.42 C ATOM 305 C PRO A 25 -1.840 12.322 -5.383 1.00 1.22 C ATOM 306 O PRO A 25 -1.250 11.362 -4.882 1.00 31.10 O ATOM 307 CB PRO A 25 -4.285 12.380 -5.992 1.00 60.33 C ATOM 308 CG PRO A 25 -5.129 11.375 -6.678 1.00 42.35 C ATOM 309 CD PRO A 25 -4.279 10.162 -6.785 1.00 51.32 C ATOM 0 HA PRO A 25 -2.535 12.817 -7.310 1.00 0.42 H new ATOM 0 HB2 PRO A 25 -4.325 12.258 -4.910 1.00 60.33 H new ATOM 0 HB3 PRO A 25 -4.620 13.394 -6.211 1.00 60.33 H new ATOM 0 HG2 PRO A 25 -6.037 11.171 -6.111 1.00 42.35 H new ATOM 0 HG3 PRO A 25 -5.439 11.727 -7.662 1.00 42.35 H new ATOM 0 HD2 PRO A 25 -4.294 9.572 -5.869 1.00 51.32 H new ATOM 0 HD3 PRO A 25 -4.605 9.506 -7.592 1.00 51.32 H new ATOM 317 N LYS A 26 -1.619 13.573 -4.995 1.00 42.10 N ATOM 318 CA LYS A 26 -0.700 13.919 -3.905 1.00 44.33 C ATOM 319 C LYS A 26 -1.324 13.669 -2.516 1.00 14.11 C ATOM 320 O LYS A 26 -0.615 13.527 -1.510 1.00 50.30 O ATOM 321 CB LYS A 26 -0.203 15.364 -4.046 1.00 61.33 C ATOM 322 CG LYS A 26 0.805 15.772 -2.990 1.00 32.55 C ATOM 323 CD LYS A 26 1.367 17.146 -3.253 1.00 15.42 C ATOM 324 CE LYS A 26 2.397 17.518 -2.208 1.00 65.15 C ATOM 325 NZ LYS A 26 3.044 18.804 -2.504 1.00 43.20 N ATOM 0 H LYS A 26 -2.070 14.380 -5.425 1.00 42.10 H new ATOM 0 HA LYS A 26 0.162 13.256 -3.985 1.00 44.33 H new ATOM 0 HB2 LYS A 26 0.247 15.489 -5.031 1.00 61.33 H new ATOM 0 HB3 LYS A 26 -1.058 16.038 -3.998 1.00 61.33 H new ATOM 0 HG2 LYS A 26 0.330 15.755 -2.009 1.00 32.55 H new ATOM 0 HG3 LYS A 26 1.618 15.046 -2.963 1.00 32.55 H new ATOM 0 HD2 LYS A 26 1.822 17.174 -4.243 1.00 15.42 H new ATOM 0 HD3 LYS A 26 0.561 17.879 -3.252 1.00 15.42 H new ATOM 0 HE2 LYS A 26 1.918 17.570 -1.230 1.00 65.15 H new ATOM 0 HE3 LYS A 26 3.154 16.736 -2.151 1.00 65.15 H new ATOM 0 HZ1 LYS A 26 3.742 19.020 -1.764 1.00 43.20 H new ATOM 0 HZ2 LYS A 26 3.523 18.748 -3.425 1.00 43.20 H new ATOM 0 HZ3 LYS A 26 2.326 19.556 -2.533 1.00 43.20 H new ATOM 339 N THR A 27 -2.637 13.611 -2.467 1.00 43.32 N ATOM 340 CA THR A 27 -3.357 13.354 -1.215 1.00 12.12 C ATOM 341 C THR A 27 -3.313 11.880 -0.893 1.00 4.21 C ATOM 342 O THR A 27 -3.570 11.449 0.235 1.00 11.25 O ATOM 343 CB THR A 27 -4.832 13.770 -1.358 1.00 55.32 C ATOM 344 OG1 THR A 27 -5.400 13.130 -2.526 1.00 42.25 O ATOM 345 CG2 THR A 27 -4.966 15.273 -1.491 1.00 74.42 C ATOM 0 H THR A 27 -3.241 13.738 -3.279 1.00 43.32 H new ATOM 0 HA THR A 27 -2.882 13.930 -0.421 1.00 12.12 H new ATOM 0 HB THR A 27 -5.366 13.457 -0.461 1.00 55.32 H new ATOM 0 HG1 THR A 27 -5.616 12.197 -2.316 1.00 42.25 H new ATOM 0 HG21 THR A 27 -6.019 15.537 -1.590 1.00 74.42 H new ATOM 0 HG22 THR A 27 -4.553 15.755 -0.605 1.00 74.42 H new ATOM 0 HG23 THR A 27 -4.423 15.610 -2.374 1.00 74.42 H new ATOM 351 N ASP A 28 -2.974 11.140 -1.887 1.00 34.34 N ATOM 352 CA ASP A 28 -2.927 9.720 -1.840 1.00 72.21 C ATOM 353 C ASP A 28 -1.598 9.250 -1.238 1.00 14.12 C ATOM 354 O ASP A 28 -0.644 10.018 -1.153 1.00 54.31 O ATOM 355 CB ASP A 28 -3.080 9.222 -3.272 1.00 23.45 C ATOM 356 CG ASP A 28 -3.050 7.749 -3.400 1.00 4.41 C ATOM 357 OD1 ASP A 28 -1.947 7.198 -3.563 1.00 43.10 O ATOM 358 OD2 ASP A 28 -4.122 7.131 -3.354 1.00 14.24 O ATOM 0 H ASP A 28 -2.710 11.523 -2.795 1.00 34.34 H new ATOM 0 HA ASP A 28 -3.723 9.323 -1.210 1.00 72.21 H new ATOM 0 HB2 ASP A 28 -4.022 9.593 -3.677 1.00 23.45 H new ATOM 0 HB3 ASP A 28 -2.282 9.646 -3.881 1.00 23.45 H new ATOM 363 N SER A 29 -1.548 8.026 -0.798 1.00 13.20 N ATOM 364 CA SER A 29 -0.333 7.424 -0.306 1.00 3.04 C ATOM 365 C SER A 29 -0.182 6.025 -0.920 1.00 13.30 C ATOM 366 O SER A 29 -1.143 5.272 -0.978 1.00 42.11 O ATOM 367 CB SER A 29 -0.359 7.352 1.221 1.00 35.01 C ATOM 368 OG SER A 29 -0.434 8.654 1.788 1.00 54.40 O ATOM 0 H SER A 29 -2.358 7.406 -0.769 1.00 13.20 H new ATOM 0 HA SER A 29 0.523 8.033 -0.596 1.00 3.04 H new ATOM 0 HB2 SER A 29 -1.214 6.759 1.547 1.00 35.01 H new ATOM 0 HB3 SER A 29 0.536 6.845 1.581 1.00 35.01 H new ATOM 0 HG SER A 29 -0.451 8.585 2.765 1.00 54.40 H new ATOM 374 N LEU A 30 1.015 5.699 -1.364 1.00 25.13 N ATOM 375 CA LEU A 30 1.286 4.429 -2.042 1.00 53.32 C ATOM 376 C LEU A 30 1.626 3.329 -1.062 1.00 31.23 C ATOM 377 O LEU A 30 2.432 3.521 -0.165 1.00 54.41 O ATOM 378 CB LEU A 30 2.442 4.602 -3.028 1.00 13.41 C ATOM 379 CG LEU A 30 2.160 5.470 -4.249 1.00 2.42 C ATOM 380 CD1 LEU A 30 3.460 5.907 -4.914 1.00 51.41 C ATOM 381 CD2 LEU A 30 1.374 4.651 -5.234 1.00 43.13 C ATOM 0 H LEU A 30 1.833 6.301 -1.269 1.00 25.13 H new ATOM 0 HA LEU A 30 0.379 4.141 -2.573 1.00 53.32 H new ATOM 0 HB2 LEU A 30 3.289 5.030 -2.492 1.00 13.41 H new ATOM 0 HB3 LEU A 30 2.749 3.615 -3.373 1.00 13.41 H new ATOM 0 HG LEU A 30 1.608 6.357 -3.937 1.00 2.42 H new ATOM 0 HD11 LEU A 30 3.234 6.525 -5.783 1.00 51.41 H new ATOM 0 HD12 LEU A 30 4.056 6.481 -4.205 1.00 51.41 H new ATOM 0 HD13 LEU A 30 4.020 5.027 -5.230 1.00 51.41 H new ATOM 0 HD21 LEU A 30 1.160 5.252 -6.118 1.00 43.13 H new ATOM 0 HD22 LEU A 30 1.954 3.774 -5.523 1.00 43.13 H new ATOM 0 HD23 LEU A 30 0.438 4.332 -4.777 1.00 43.13 H new ATOM 389 N ALA A 31 1.023 2.184 -1.235 1.00 61.15 N ATOM 390 CA ALA A 31 1.301 1.041 -0.398 1.00 4.10 C ATOM 391 C ALA A 31 1.531 -0.198 -1.237 1.00 52.13 C ATOM 392 O ALA A 31 1.021 -0.307 -2.346 1.00 43.05 O ATOM 393 CB ALA A 31 0.165 0.802 0.571 1.00 74.44 C ATOM 0 H ALA A 31 0.325 2.014 -1.959 1.00 61.15 H new ATOM 0 HA ALA A 31 2.209 1.253 0.167 1.00 4.10 H new ATOM 0 HB1 ALA A 31 0.393 -0.064 1.193 1.00 74.44 H new ATOM 0 HB2 ALA A 31 0.036 1.680 1.204 1.00 74.44 H new ATOM 0 HB3 ALA A 31 -0.754 0.617 0.015 1.00 74.44 H new ATOM 399 N HIS A 32 2.337 -1.103 -0.719 1.00 24.13 N ATOM 400 CA HIS A 32 2.607 -2.394 -1.342 1.00 43.35 C ATOM 401 C HIS A 32 3.369 -3.257 -0.373 1.00 22.41 C ATOM 402 O HIS A 32 3.859 -2.763 0.638 1.00 53.32 O ATOM 403 CB HIS A 32 3.353 -2.280 -2.699 1.00 74.52 C ATOM 404 CG HIS A 32 4.708 -1.652 -2.636 1.00 33.30 C ATOM 405 ND1 HIS A 32 5.874 -2.341 -2.910 1.00 60.50 N ATOM 406 CD2 HIS A 32 5.076 -0.376 -2.396 1.00 65.32 C ATOM 407 CE1 HIS A 32 6.886 -1.520 -2.847 1.00 24.32 C ATOM 408 NE2 HIS A 32 6.431 -0.319 -2.536 1.00 63.31 N ATOM 0 H HIS A 32 2.834 -0.965 0.161 1.00 24.13 H new ATOM 0 HA HIS A 32 1.648 -2.855 -1.578 1.00 43.35 H new ATOM 0 HB2 HIS A 32 3.454 -3.279 -3.124 1.00 74.52 H new ATOM 0 HB3 HIS A 32 2.735 -1.702 -3.386 1.00 74.52 H new ATOM 0 HD2 HIS A 32 4.421 0.444 -2.141 1.00 65.32 H new ATOM 0 HE1 HIS A 32 7.920 -1.778 -3.020 1.00 24.32 H new ATOM 0 HE2 HIS A 32 7.003 0.518 -2.419 1.00 63.31 H new ATOM 417 N CYS A 33 3.490 -4.512 -0.668 1.00 75.30 N ATOM 418 CA CYS A 33 4.112 -5.419 0.243 1.00 31.21 C ATOM 419 C CYS A 33 5.503 -5.829 -0.259 1.00 2.11 C ATOM 420 O CYS A 33 5.733 -5.886 -1.476 1.00 11.40 O ATOM 421 CB CYS A 33 3.195 -6.625 0.408 1.00 32.11 C ATOM 422 SG CYS A 33 3.703 -7.789 1.648 1.00 3.53 S ATOM 0 H CYS A 33 3.164 -4.934 -1.538 1.00 75.30 H new ATOM 0 HA CYS A 33 4.260 -4.941 1.211 1.00 31.21 H new ATOM 0 HB2 CYS A 33 2.194 -6.270 0.652 1.00 32.11 H new ATOM 0 HB3 CYS A 33 3.125 -7.143 -0.548 1.00 32.11 H new ATOM 0 HG CYS A 33 4.484 -7.199 2.503 1.00 3.53 H new ATOM 428 N ILE A 34 6.433 -6.056 0.685 1.00 45.34 N ATOM 429 CA ILE A 34 7.808 -6.507 0.410 1.00 14.52 C ATOM 430 C ILE A 34 8.324 -7.339 1.585 1.00 52.41 C ATOM 431 O ILE A 34 7.625 -7.536 2.580 1.00 3.44 O ATOM 432 CB ILE A 34 8.852 -5.378 0.116 1.00 45.40 C ATOM 433 CG1 ILE A 34 9.041 -4.442 1.309 1.00 31.03 C ATOM 434 CG2 ILE A 34 8.505 -4.594 -1.144 1.00 54.14 C ATOM 435 CD1 ILE A 34 10.169 -3.458 1.102 1.00 73.40 C ATOM 0 H ILE A 34 6.246 -5.929 1.680 1.00 45.34 H new ATOM 0 HA ILE A 34 7.723 -7.086 -0.509 1.00 14.52 H new ATOM 0 HB ILE A 34 9.804 -5.879 -0.059 1.00 45.40 H new ATOM 0 HG12 ILE A 34 8.115 -3.895 1.488 1.00 31.03 H new ATOM 0 HG13 ILE A 34 9.239 -5.034 2.203 1.00 31.03 H new ATOM 0 HG21 ILE A 34 9.256 -3.821 -1.310 1.00 54.14 H new ATOM 0 HG22 ILE A 34 8.485 -5.270 -1.999 1.00 54.14 H new ATOM 0 HG23 ILE A 34 7.526 -4.130 -1.026 1.00 54.14 H new ATOM 0 HD11 ILE A 34 10.259 -2.818 1.980 1.00 73.40 H new ATOM 0 HD12 ILE A 34 11.102 -4.001 0.951 1.00 73.40 H new ATOM 0 HD13 ILE A 34 9.961 -2.845 0.225 1.00 73.40 H new ATOM 442 N SER A 35 9.506 -7.864 1.445 1.00 43.44 N ATOM 443 CA SER A 35 10.108 -8.670 2.470 1.00 12.45 C ATOM 444 C SER A 35 10.980 -7.819 3.427 1.00 53.54 C ATOM 445 O SER A 35 11.241 -6.631 3.168 1.00 42.12 O ATOM 446 CB SER A 35 10.946 -9.733 1.801 1.00 51.25 C ATOM 447 OG SER A 35 11.868 -9.152 0.880 1.00 44.32 O ATOM 0 H SER A 35 10.084 -7.745 0.613 1.00 43.44 H new ATOM 0 HA SER A 35 9.324 -9.126 3.075 1.00 12.45 H new ATOM 0 HB2 SER A 35 11.490 -10.301 2.556 1.00 51.25 H new ATOM 0 HB3 SER A 35 10.298 -10.436 1.278 1.00 51.25 H new ATOM 0 HG SER A 35 12.596 -9.784 0.703 1.00 44.32 H new ATOM 453 N GLU A 36 11.437 -8.448 4.508 1.00 44.14 N ATOM 454 CA GLU A 36 12.273 -7.813 5.521 1.00 2.22 C ATOM 455 C GLU A 36 13.609 -7.372 4.974 1.00 70.40 C ATOM 456 O GLU A 36 14.079 -6.285 5.288 1.00 65.41 O ATOM 457 CB GLU A 36 12.549 -8.759 6.685 1.00 41.11 C ATOM 458 CG GLU A 36 11.352 -9.150 7.505 1.00 33.30 C ATOM 459 CD GLU A 36 11.725 -10.002 8.682 1.00 61.13 C ATOM 460 OE1 GLU A 36 12.559 -9.549 9.514 1.00 32.42 O ATOM 461 OE2 GLU A 36 11.229 -11.134 8.787 1.00 64.31 O ATOM 0 H GLU A 36 11.233 -9.428 4.706 1.00 44.14 H new ATOM 0 HA GLU A 36 11.710 -6.942 5.856 1.00 2.22 H new ATOM 0 HB2 GLU A 36 13.008 -9.666 6.291 1.00 41.11 H new ATOM 0 HB3 GLU A 36 13.281 -8.291 7.344 1.00 41.11 H new ATOM 0 HG2 GLU A 36 10.845 -8.251 7.856 1.00 33.30 H new ATOM 0 HG3 GLU A 36 10.644 -9.691 6.877 1.00 33.30 H new ATOM 468 N ASP A 37 14.200 -8.190 4.123 1.00 63.54 N ATOM 469 CA ASP A 37 15.581 -7.966 3.663 1.00 31.22 C ATOM 470 C ASP A 37 15.693 -6.758 2.714 1.00 12.12 C ATOM 471 O ASP A 37 16.793 -6.362 2.302 1.00 13.24 O ATOM 472 CB ASP A 37 16.130 -9.251 3.029 1.00 75.24 C ATOM 473 CG ASP A 37 17.585 -9.174 2.656 1.00 3.31 C ATOM 474 OD1 ASP A 37 18.457 -9.170 3.579 1.00 4.02 O ATOM 475 OD2 ASP A 37 17.886 -9.156 1.468 1.00 11.41 O ATOM 0 H ASP A 37 13.755 -9.019 3.729 1.00 63.54 H new ATOM 0 HA ASP A 37 16.194 -7.718 4.529 1.00 31.22 H new ATOM 0 HB2 ASP A 37 15.987 -10.078 3.725 1.00 75.24 H new ATOM 0 HB3 ASP A 37 15.548 -9.481 2.137 1.00 75.24 H new ATOM 480 N CYS A 38 14.535 -6.172 2.396 1.00 71.22 N ATOM 481 CA CYS A 38 14.419 -4.953 1.587 1.00 63.22 C ATOM 482 C CYS A 38 14.719 -5.208 0.119 1.00 42.21 C ATOM 483 O CYS A 38 14.850 -4.281 -0.669 1.00 54.15 O ATOM 484 CB CYS A 38 15.279 -3.817 2.162 1.00 42.43 C ATOM 485 SG CYS A 38 14.910 -3.462 3.897 1.00 43.33 S ATOM 0 H CYS A 38 13.633 -6.539 2.700 1.00 71.22 H new ATOM 0 HA CYS A 38 13.379 -4.631 1.637 1.00 63.22 H new ATOM 0 HB2 CYS A 38 16.332 -4.082 2.067 1.00 42.43 H new ATOM 0 HB3 CYS A 38 15.122 -2.915 1.571 1.00 42.43 H new ATOM 0 HG CYS A 38 14.568 -4.561 4.502 1.00 43.33 H new ATOM 491 N ARG A 39 14.807 -6.464 -0.245 1.00 52.42 N ATOM 492 CA ARG A 39 14.943 -6.824 -1.625 1.00 73.14 C ATOM 493 C ARG A 39 13.601 -6.727 -2.317 1.00 64.33 C ATOM 494 O ARG A 39 12.847 -7.698 -2.375 1.00 65.52 O ATOM 495 CB ARG A 39 15.553 -8.220 -1.815 1.00 21.31 C ATOM 496 CG ARG A 39 17.054 -8.311 -1.593 1.00 70.13 C ATOM 497 CD ARG A 39 17.518 -9.757 -1.707 1.00 23.24 C ATOM 498 NE ARG A 39 18.989 -9.890 -1.801 1.00 65.33 N ATOM 499 CZ ARG A 39 19.754 -10.668 -1.012 1.00 20.45 C ATOM 500 NH1 ARG A 39 19.296 -11.097 0.158 1.00 4.21 N ATOM 501 NH2 ARG A 39 21.010 -10.922 -1.356 1.00 41.30 N ATOM 0 H ARG A 39 14.786 -7.253 0.402 1.00 52.42 H new ATOM 0 HA ARG A 39 15.638 -6.118 -2.079 1.00 73.14 H new ATOM 0 HB2 ARG A 39 15.059 -8.910 -1.131 1.00 21.31 H new ATOM 0 HB3 ARG A 39 15.331 -8.560 -2.826 1.00 21.31 H new ATOM 0 HG2 ARG A 39 17.575 -7.696 -2.327 1.00 70.13 H new ATOM 0 HG3 ARG A 39 17.308 -7.917 -0.609 1.00 70.13 H new ATOM 0 HD2 ARG A 39 17.164 -10.315 -0.840 1.00 23.24 H new ATOM 0 HD3 ARG A 39 17.061 -10.210 -2.587 1.00 23.24 H new ATOM 0 HE ARG A 39 19.463 -9.347 -2.523 1.00 65.33 H new ATOM 0 HH11 ARG A 39 18.358 -10.838 0.465 1.00 4.21 H new ATOM 0 HH12 ARG A 39 19.882 -11.686 0.750 1.00 4.21 H new ATOM 0 HH21 ARG A 39 21.393 -10.528 -2.216 1.00 41.30 H new ATOM 0 HH22 ARG A 39 21.593 -11.511 -0.761 1.00 41.30 H new ATOM 513 N MET A 40 13.271 -5.531 -2.769 1.00 23.53 N ATOM 514 CA MET A 40 12.029 -5.311 -3.481 1.00 13.10 C ATOM 515 C MET A 40 12.285 -5.407 -4.979 1.00 73.24 C ATOM 516 O MET A 40 11.462 -5.017 -5.796 1.00 71.13 O ATOM 517 CB MET A 40 11.371 -3.946 -3.140 1.00 22.33 C ATOM 518 CG MET A 40 12.040 -2.705 -3.731 1.00 42.45 C ATOM 519 SD MET A 40 13.608 -2.282 -2.967 1.00 12.25 S ATOM 520 CE MET A 40 13.047 -1.747 -1.355 1.00 51.02 C ATOM 0 H MET A 40 13.847 -4.697 -2.655 1.00 23.53 H new ATOM 0 HA MET A 40 11.329 -6.084 -3.164 1.00 13.10 H new ATOM 0 HB2 MET A 40 10.336 -3.971 -3.480 1.00 22.33 H new ATOM 0 HB3 MET A 40 11.348 -3.839 -2.056 1.00 22.33 H new ATOM 0 HG2 MET A 40 12.199 -2.865 -4.797 1.00 42.45 H new ATOM 0 HG3 MET A 40 11.361 -1.858 -3.633 1.00 42.45 H new ATOM 0 HE1 MET A 40 13.489 -0.779 -1.119 1.00 51.02 H new ATOM 0 HE2 MET A 40 11.961 -1.658 -1.359 1.00 51.02 H new ATOM 0 HE3 MET A 40 13.349 -2.477 -0.604 1.00 51.02 H new ATOM 530 N GLY A 41 13.441 -5.933 -5.324 1.00 32.30 N ATOM 531 CA GLY A 41 13.841 -6.078 -6.697 1.00 74.22 C ATOM 532 C GLY A 41 13.119 -7.201 -7.404 1.00 74.01 C ATOM 533 O GLY A 41 13.742 -8.180 -7.832 1.00 55.23 O ATOM 0 H GLY A 41 14.129 -6.272 -4.652 1.00 32.30 H new ATOM 0 HA2 GLY A 41 13.654 -5.143 -7.225 1.00 74.22 H new ATOM 0 HA3 GLY A 41 14.915 -6.259 -6.740 1.00 74.22 H new ATOM 537 N ALA A 42 11.825 -7.069 -7.494 1.00 71.51 N ATOM 538 CA ALA A 42 10.973 -8.006 -8.179 1.00 50.24 C ATOM 539 C ALA A 42 9.628 -7.354 -8.487 1.00 33.12 C ATOM 540 O ALA A 42 8.967 -6.817 -7.589 1.00 40.02 O ATOM 541 CB ALA A 42 10.779 -9.264 -7.340 1.00 71.44 C ATOM 0 H ALA A 42 11.318 -6.286 -7.082 1.00 71.51 H new ATOM 0 HA ALA A 42 11.447 -8.294 -9.117 1.00 50.24 H new ATOM 0 HB1 ALA A 42 10.132 -9.961 -7.873 1.00 71.44 H new ATOM 0 HB2 ALA A 42 11.746 -9.733 -7.158 1.00 71.44 H new ATOM 0 HB3 ALA A 42 10.320 -8.999 -6.388 1.00 71.44 H new ATOM 547 N GLY A 43 9.263 -7.353 -9.757 1.00 70.25 N ATOM 548 CA GLY A 43 7.971 -6.843 -10.183 1.00 44.11 C ATOM 549 C GLY A 43 7.820 -5.345 -10.007 1.00 23.42 C ATOM 550 O GLY A 43 8.783 -4.595 -10.153 1.00 33.32 O ATOM 0 H GLY A 43 9.848 -7.702 -10.516 1.00 70.25 H new ATOM 0 HA2 GLY A 43 7.819 -7.094 -11.233 1.00 44.11 H new ATOM 0 HA3 GLY A 43 7.187 -7.347 -9.618 1.00 44.11 H new ATOM 554 N ILE A 44 6.608 -4.919 -9.663 1.00 63.11 N ATOM 555 CA ILE A 44 6.251 -3.499 -9.488 1.00 51.45 C ATOM 556 C ILE A 44 7.118 -2.812 -8.414 1.00 23.33 C ATOM 557 O ILE A 44 7.336 -1.596 -8.447 1.00 1.43 O ATOM 558 CB ILE A 44 4.740 -3.347 -9.101 1.00 73.50 C ATOM 559 CG1 ILE A 44 4.363 -1.860 -8.938 1.00 62.13 C ATOM 560 CG2 ILE A 44 4.409 -4.141 -7.831 1.00 25.44 C ATOM 561 CD1 ILE A 44 2.940 -1.621 -8.506 1.00 63.24 C ATOM 0 H ILE A 44 5.828 -5.554 -9.493 1.00 63.11 H new ATOM 0 HA ILE A 44 6.436 -3.011 -10.445 1.00 51.45 H new ATOM 0 HB ILE A 44 4.143 -3.761 -9.914 1.00 73.50 H new ATOM 0 HG12 ILE A 44 5.032 -1.406 -8.207 1.00 62.13 H new ATOM 0 HG13 ILE A 44 4.532 -1.349 -9.886 1.00 62.13 H new ATOM 0 HG21 ILE A 44 3.354 -4.016 -7.588 1.00 25.44 H new ATOM 0 HG22 ILE A 44 4.620 -5.197 -7.997 1.00 25.44 H new ATOM 0 HG23 ILE A 44 5.018 -3.775 -7.004 1.00 25.44 H new ATOM 0 HD11 ILE A 44 2.762 -0.549 -8.416 1.00 63.24 H new ATOM 0 HD12 ILE A 44 2.259 -2.041 -9.247 1.00 63.24 H new ATOM 0 HD13 ILE A 44 2.767 -2.099 -7.542 1.00 63.24 H new ATOM 568 N ALA A 45 7.633 -3.592 -7.495 1.00 74.10 N ATOM 569 CA ALA A 45 8.394 -3.071 -6.400 1.00 72.23 C ATOM 570 C ALA A 45 9.695 -2.386 -6.842 1.00 34.30 C ATOM 571 O ALA A 45 10.179 -1.477 -6.156 1.00 2.12 O ATOM 572 CB ALA A 45 8.584 -4.107 -5.315 1.00 32.22 C ATOM 0 H ALA A 45 7.533 -4.607 -7.491 1.00 74.10 H new ATOM 0 HA ALA A 45 7.806 -2.269 -5.954 1.00 72.23 H new ATOM 0 HB1 ALA A 45 9.166 -3.677 -4.500 1.00 32.22 H new ATOM 0 HB2 ALA A 45 7.611 -4.423 -4.939 1.00 32.22 H new ATOM 0 HB3 ALA A 45 9.112 -4.969 -5.723 1.00 32.22 H new ATOM 578 N VAL A 46 10.244 -2.795 -8.002 1.00 13.50 N ATOM 579 CA VAL A 46 11.461 -2.158 -8.538 1.00 4.34 C ATOM 580 C VAL A 46 11.201 -0.681 -8.847 1.00 64.54 C ATOM 581 O VAL A 46 12.072 0.162 -8.667 1.00 40.01 O ATOM 582 CB VAL A 46 12.025 -2.858 -9.829 1.00 33.20 C ATOM 583 CG1 VAL A 46 12.354 -4.303 -9.573 1.00 50.31 C ATOM 584 CG2 VAL A 46 11.093 -2.721 -11.030 1.00 34.14 C ATOM 0 H VAL A 46 9.871 -3.551 -8.577 1.00 13.50 H new ATOM 0 HA VAL A 46 12.215 -2.262 -7.758 1.00 4.34 H new ATOM 0 HB VAL A 46 12.947 -2.334 -10.080 1.00 33.20 H new ATOM 0 HG11 VAL A 46 12.741 -4.755 -10.486 1.00 50.31 H new ATOM 0 HG12 VAL A 46 13.106 -4.371 -8.787 1.00 50.31 H new ATOM 0 HG13 VAL A 46 11.453 -4.831 -9.260 1.00 50.31 H new ATOM 0 HG21 VAL A 46 11.534 -3.223 -11.892 1.00 34.14 H new ATOM 0 HG22 VAL A 46 10.131 -3.177 -10.798 1.00 34.14 H new ATOM 0 HG23 VAL A 46 10.948 -1.665 -11.260 1.00 34.14 H new ATOM 590 N LEU A 47 9.975 -0.389 -9.270 1.00 43.31 N ATOM 591 CA LEU A 47 9.554 0.951 -9.641 1.00 61.25 C ATOM 592 C LEU A 47 9.624 1.881 -8.446 1.00 23.22 C ATOM 593 O LEU A 47 10.053 3.030 -8.563 1.00 63.11 O ATOM 594 CB LEU A 47 8.134 0.892 -10.202 1.00 0.32 C ATOM 595 CG LEU A 47 7.967 0.110 -11.509 1.00 44.43 C ATOM 596 CD1 LEU A 47 6.501 -0.119 -11.812 1.00 72.21 C ATOM 597 CD2 LEU A 47 8.582 0.890 -12.644 1.00 42.41 C ATOM 0 H LEU A 47 9.239 -1.088 -9.365 1.00 43.31 H new ATOM 0 HA LEU A 47 10.224 1.344 -10.405 1.00 61.25 H new ATOM 0 HB2 LEU A 47 7.484 0.447 -9.449 1.00 0.32 H new ATOM 0 HB3 LEU A 47 7.784 1.912 -10.363 1.00 0.32 H new ATOM 0 HG LEU A 47 8.464 -0.854 -11.399 1.00 44.43 H new ATOM 0 HD11 LEU A 47 6.405 -0.676 -12.744 1.00 72.21 H new ATOM 0 HD12 LEU A 47 6.046 -0.688 -11.001 1.00 72.21 H new ATOM 0 HD13 LEU A 47 5.995 0.842 -11.909 1.00 72.21 H new ATOM 0 HD21 LEU A 47 8.463 0.334 -13.574 1.00 42.41 H new ATOM 0 HD22 LEU A 47 8.085 1.856 -12.733 1.00 42.41 H new ATOM 0 HD23 LEU A 47 9.643 1.045 -12.447 1.00 42.41 H new ATOM 605 N PHE A 48 9.240 1.371 -7.296 1.00 21.41 N ATOM 606 CA PHE A 48 9.291 2.144 -6.077 1.00 34.01 C ATOM 607 C PHE A 48 10.720 2.400 -5.639 1.00 51.05 C ATOM 608 O PHE A 48 11.025 3.474 -5.187 1.00 1.22 O ATOM 609 CB PHE A 48 8.488 1.502 -4.948 1.00 64.31 C ATOM 610 CG PHE A 48 6.990 1.553 -5.118 1.00 62.14 C ATOM 611 CD1 PHE A 48 6.304 0.558 -5.796 1.00 52.43 C ATOM 612 CD2 PHE A 48 6.258 2.598 -4.564 1.00 21.33 C ATOM 613 CE1 PHE A 48 4.926 0.610 -5.911 1.00 24.04 C ATOM 614 CE2 PHE A 48 4.907 2.649 -4.683 1.00 72.41 C ATOM 615 CZ PHE A 48 4.234 1.667 -5.347 1.00 11.12 C ATOM 0 H PHE A 48 8.888 0.421 -7.181 1.00 21.41 H new ATOM 0 HA PHE A 48 8.826 3.104 -6.302 1.00 34.01 H new ATOM 0 HB2 PHE A 48 8.792 0.459 -4.854 1.00 64.31 H new ATOM 0 HB3 PHE A 48 8.749 1.995 -4.012 1.00 64.31 H new ATOM 0 HD1 PHE A 48 6.848 -0.264 -6.238 1.00 52.43 H new ATOM 0 HD2 PHE A 48 6.774 3.382 -4.030 1.00 21.33 H new ATOM 0 HE1 PHE A 48 4.394 -0.169 -6.437 1.00 24.04 H new ATOM 0 HE2 PHE A 48 4.361 3.473 -4.249 1.00 72.41 H new ATOM 0 HZ PHE A 48 3.158 1.714 -5.433 1.00 11.12 H new ATOM 625 N LYS A 49 11.598 1.410 -5.809 1.00 50.34 N ATOM 626 CA LYS A 49 12.998 1.544 -5.427 1.00 1.32 C ATOM 627 C LYS A 49 13.660 2.670 -6.237 1.00 32.32 C ATOM 628 O LYS A 49 14.493 3.433 -5.727 1.00 63.52 O ATOM 629 CB LYS A 49 13.727 0.252 -5.740 1.00 33.11 C ATOM 630 CG LYS A 49 15.179 0.258 -5.317 1.00 21.55 C ATOM 631 CD LYS A 49 15.958 -0.837 -6.007 1.00 61.13 C ATOM 632 CE LYS A 49 15.488 -2.229 -5.646 1.00 44.21 C ATOM 633 NZ LYS A 49 16.288 -3.267 -6.327 1.00 64.43 N ATOM 0 H LYS A 49 11.359 0.504 -6.211 1.00 50.34 H new ATOM 0 HA LYS A 49 13.051 1.770 -4.362 1.00 1.32 H new ATOM 0 HB2 LYS A 49 13.216 -0.573 -5.244 1.00 33.11 H new ATOM 0 HB3 LYS A 49 13.670 0.063 -6.812 1.00 33.11 H new ATOM 0 HG2 LYS A 49 15.624 1.225 -5.550 1.00 21.55 H new ATOM 0 HG3 LYS A 49 15.246 0.129 -4.237 1.00 21.55 H new ATOM 0 HD2 LYS A 49 15.880 -0.704 -7.086 1.00 61.13 H new ATOM 0 HD3 LYS A 49 17.013 -0.740 -5.750 1.00 61.13 H new ATOM 0 HE2 LYS A 49 15.554 -2.368 -4.567 1.00 44.21 H new ATOM 0 HE3 LYS A 49 14.438 -2.341 -5.918 1.00 44.21 H new ATOM 0 HZ1 LYS A 49 15.938 -4.208 -6.056 1.00 64.43 H new ATOM 0 HZ2 LYS A 49 16.205 -3.150 -7.357 1.00 64.43 H new ATOM 0 HZ3 LYS A 49 17.286 -3.175 -6.048 1.00 64.43 H new ATOM 647 N LYS A 50 13.301 2.735 -7.500 1.00 1.42 N ATOM 648 CA LYS A 50 13.843 3.700 -8.426 1.00 30.14 C ATOM 649 C LYS A 50 13.401 5.115 -8.101 1.00 12.44 C ATOM 650 O LYS A 50 14.208 6.040 -8.097 1.00 65.00 O ATOM 651 CB LYS A 50 13.413 3.343 -9.835 1.00 41.51 C ATOM 652 CG LYS A 50 13.897 1.990 -10.301 1.00 61.40 C ATOM 653 CD LYS A 50 13.381 1.680 -11.679 1.00 24.44 C ATOM 654 CE LYS A 50 13.798 0.296 -12.125 1.00 52.53 C ATOM 655 NZ LYS A 50 13.295 -0.026 -13.473 1.00 22.34 N ATOM 0 H LYS A 50 12.613 2.108 -7.917 1.00 1.42 H new ATOM 0 HA LYS A 50 14.929 3.668 -8.342 1.00 30.14 H new ATOM 0 HB2 LYS A 50 12.325 3.366 -9.889 1.00 41.51 H new ATOM 0 HB3 LYS A 50 13.782 4.106 -10.521 1.00 41.51 H new ATOM 0 HG2 LYS A 50 14.987 1.970 -10.304 1.00 61.40 H new ATOM 0 HG3 LYS A 50 13.566 1.221 -9.603 1.00 61.40 H new ATOM 0 HD2 LYS A 50 12.294 1.755 -11.687 1.00 24.44 H new ATOM 0 HD3 LYS A 50 13.757 2.420 -12.385 1.00 24.44 H new ATOM 0 HE2 LYS A 50 14.886 0.225 -12.118 1.00 52.53 H new ATOM 0 HE3 LYS A 50 13.426 -0.441 -11.414 1.00 52.53 H new ATOM 0 HZ1 LYS A 50 13.604 -0.983 -13.739 1.00 22.34 H new ATOM 0 HZ2 LYS A 50 12.256 0.016 -13.475 1.00 22.34 H new ATOM 0 HZ3 LYS A 50 13.670 0.662 -14.157 1.00 22.34 H new ATOM 669 N LYS A 51 12.128 5.272 -7.826 1.00 1.51 N ATOM 670 CA LYS A 51 11.547 6.587 -7.597 1.00 43.03 C ATOM 671 C LYS A 51 11.663 7.041 -6.141 1.00 30.51 C ATOM 672 O LYS A 51 11.656 8.240 -5.855 1.00 4.54 O ATOM 673 CB LYS A 51 10.086 6.599 -8.048 1.00 54.43 C ATOM 674 CG LYS A 51 9.904 6.210 -9.512 1.00 72.03 C ATOM 675 CD LYS A 51 8.446 6.249 -9.952 1.00 1.44 C ATOM 676 CE LYS A 51 7.878 7.664 -9.924 1.00 73.42 C ATOM 677 NZ LYS A 51 6.460 7.707 -10.354 1.00 31.21 N ATOM 0 H LYS A 51 11.464 4.501 -7.753 1.00 1.51 H new ATOM 0 HA LYS A 51 12.119 7.299 -8.192 1.00 43.03 H new ATOM 0 HB2 LYS A 51 9.514 5.913 -7.423 1.00 54.43 H new ATOM 0 HB3 LYS A 51 9.672 7.595 -7.890 1.00 54.43 H new ATOM 0 HG2 LYS A 51 10.487 6.885 -10.139 1.00 72.03 H new ATOM 0 HG3 LYS A 51 10.300 5.207 -9.670 1.00 72.03 H new ATOM 0 HD2 LYS A 51 8.361 5.844 -10.960 1.00 1.44 H new ATOM 0 HD3 LYS A 51 7.853 5.608 -9.300 1.00 1.44 H new ATOM 0 HE2 LYS A 51 7.962 8.068 -8.915 1.00 73.42 H new ATOM 0 HE3 LYS A 51 8.473 8.305 -10.574 1.00 73.42 H new ATOM 0 HZ1 LYS A 51 6.224 8.667 -10.677 1.00 31.21 H new ATOM 0 HZ2 LYS A 51 6.313 7.034 -11.133 1.00 31.21 H new ATOM 0 HZ3 LYS A 51 5.847 7.450 -9.554 1.00 31.21 H new ATOM 691 N PHE A 52 11.778 6.097 -5.234 1.00 62.05 N ATOM 692 CA PHE A 52 11.799 6.368 -3.835 1.00 35.21 C ATOM 693 C PHE A 52 12.872 5.540 -3.185 1.00 42.04 C ATOM 694 O PHE A 52 12.722 4.328 -3.007 1.00 41.51 O ATOM 695 CB PHE A 52 10.436 6.044 -3.173 1.00 54.32 C ATOM 696 CG PHE A 52 9.259 6.783 -3.749 1.00 35.50 C ATOM 697 CD1 PHE A 52 9.006 8.094 -3.393 1.00 44.33 C ATOM 698 CD2 PHE A 52 8.401 6.156 -4.639 1.00 63.25 C ATOM 699 CE1 PHE A 52 7.921 8.771 -3.914 1.00 30.04 C ATOM 700 CE2 PHE A 52 7.316 6.827 -5.166 1.00 63.44 C ATOM 701 CZ PHE A 52 7.075 8.137 -4.803 1.00 70.25 C ATOM 0 H PHE A 52 11.860 5.107 -5.463 1.00 62.05 H new ATOM 0 HA PHE A 52 12.001 7.430 -3.699 1.00 35.21 H new ATOM 0 HB2 PHE A 52 10.252 4.973 -3.260 1.00 54.32 H new ATOM 0 HB3 PHE A 52 10.503 6.270 -2.109 1.00 54.32 H new ATOM 0 HD1 PHE A 52 9.665 8.595 -2.699 1.00 44.33 H new ATOM 0 HD2 PHE A 52 8.584 5.130 -4.923 1.00 63.25 H new ATOM 0 HE1 PHE A 52 7.734 9.795 -3.627 1.00 30.04 H new ATOM 0 HE2 PHE A 52 6.657 6.328 -5.861 1.00 63.44 H new ATOM 0 HZ PHE A 52 6.227 8.665 -5.213 1.00 70.25 H new ATOM 711 N GLY A 53 13.972 6.174 -2.916 1.00 14.44 N ATOM 712 CA GLY A 53 15.083 5.556 -2.176 1.00 40.42 C ATOM 713 C GLY A 53 14.680 5.182 -0.751 1.00 22.01 C ATOM 714 O GLY A 53 15.050 5.849 0.218 1.00 72.34 O ATOM 0 H GLY A 53 14.147 7.139 -3.195 1.00 14.44 H new ATOM 0 HA2 GLY A 53 15.419 4.664 -2.704 1.00 40.42 H new ATOM 0 HA3 GLY A 53 15.927 6.245 -2.146 1.00 40.42 H new ATOM 718 N GLY A 54 13.915 4.126 -0.648 1.00 61.44 N ATOM 719 CA GLY A 54 13.363 3.684 0.588 1.00 73.15 C ATOM 720 C GLY A 54 14.252 2.795 1.403 1.00 23.14 C ATOM 721 O GLY A 54 14.119 2.779 2.612 1.00 60.14 O ATOM 0 H GLY A 54 13.658 3.543 -1.444 1.00 61.44 H new ATOM 0 HA2 GLY A 54 13.105 4.558 1.185 1.00 73.15 H new ATOM 0 HA3 GLY A 54 12.434 3.152 0.383 1.00 73.15 H new ATOM 725 N VAL A 55 15.171 2.073 0.752 1.00 11.40 N ATOM 726 CA VAL A 55 15.978 1.023 1.420 1.00 31.20 C ATOM 727 C VAL A 55 16.633 1.524 2.716 1.00 11.42 C ATOM 728 O VAL A 55 16.556 0.860 3.753 1.00 60.21 O ATOM 729 CB VAL A 55 17.068 0.428 0.482 1.00 21.22 C ATOM 730 CG1 VAL A 55 17.816 -0.711 1.171 1.00 24.42 C ATOM 731 CG2 VAL A 55 16.457 -0.058 -0.824 1.00 2.55 C ATOM 0 H VAL A 55 15.381 2.190 -0.239 1.00 11.40 H new ATOM 0 HA VAL A 55 15.271 0.233 1.674 1.00 31.20 H new ATOM 0 HB VAL A 55 17.779 1.222 0.255 1.00 21.22 H new ATOM 0 HG11 VAL A 55 18.572 -1.111 0.496 1.00 24.42 H new ATOM 0 HG12 VAL A 55 18.298 -0.336 2.074 1.00 24.42 H new ATOM 0 HG13 VAL A 55 17.113 -1.500 1.436 1.00 24.42 H new ATOM 0 HG21 VAL A 55 17.240 -0.469 -1.461 1.00 2.55 H new ATOM 0 HG22 VAL A 55 15.717 -0.830 -0.614 1.00 2.55 H new ATOM 0 HG23 VAL A 55 15.976 0.777 -1.333 1.00 2.55 H new ATOM 737 N GLN A 56 17.230 2.699 2.665 1.00 41.53 N ATOM 738 CA GLN A 56 17.887 3.270 3.824 1.00 3.00 C ATOM 739 C GLN A 56 16.906 3.506 4.976 1.00 24.53 C ATOM 740 O GLN A 56 17.171 3.126 6.121 1.00 4.14 O ATOM 741 CB GLN A 56 18.631 4.546 3.439 1.00 13.02 C ATOM 742 CG GLN A 56 19.260 5.357 4.582 1.00 14.32 C ATOM 743 CD GLN A 56 20.403 4.682 5.377 1.00 64.40 C ATOM 744 OE1 GLN A 56 20.363 3.388 5.578 1.00 21.31 O flip ATOM 745 NE2 GLN A 56 21.301 5.367 5.851 1.00 62.53 N flip ATOM 0 H GLN A 56 17.273 3.280 1.828 1.00 41.53 H new ATOM 0 HA GLN A 56 18.620 2.549 4.186 1.00 3.00 H new ATOM 0 HB2 GLN A 56 19.422 4.279 2.738 1.00 13.02 H new ATOM 0 HB3 GLN A 56 17.937 5.195 2.905 1.00 13.02 H new ATOM 0 HG2 GLN A 56 19.642 6.289 4.166 1.00 14.32 H new ATOM 0 HG3 GLN A 56 18.470 5.622 5.284 1.00 14.32 H new ATOM 0 HE21 GLN A 56 21.317 6.373 5.685 1.00 62.53 H new ATOM 0 HE22 GLN A 56 22.033 4.931 6.412 1.00 62.53 H new ATOM 753 N GLU A 57 15.779 4.098 4.660 1.00 25.51 N ATOM 754 CA GLU A 57 14.734 4.347 5.644 1.00 14.05 C ATOM 755 C GLU A 57 14.142 3.027 6.137 1.00 52.42 C ATOM 756 O GLU A 57 13.746 2.909 7.284 1.00 40.01 O ATOM 757 CB GLU A 57 13.632 5.217 5.047 1.00 65.04 C ATOM 758 CG GLU A 57 14.029 6.645 4.704 1.00 61.02 C ATOM 759 CD GLU A 57 14.228 7.506 5.927 1.00 12.12 C ATOM 760 OE1 GLU A 57 15.320 7.517 6.499 1.00 22.21 O ATOM 761 OE2 GLU A 57 13.267 8.193 6.346 1.00 60.41 O ATOM 0 H GLU A 57 15.554 4.422 3.720 1.00 25.51 H new ATOM 0 HA GLU A 57 15.179 4.874 6.488 1.00 14.05 H new ATOM 0 HB2 GLU A 57 13.265 4.734 4.141 1.00 65.04 H new ATOM 0 HB3 GLU A 57 12.800 5.250 5.750 1.00 65.04 H new ATOM 0 HG2 GLU A 57 14.950 6.631 4.121 1.00 61.02 H new ATOM 0 HG3 GLU A 57 13.259 7.090 4.073 1.00 61.02 H new ATOM 768 N LEU A 58 14.067 2.042 5.263 1.00 55.24 N ATOM 769 CA LEU A 58 13.539 0.738 5.641 1.00 15.11 C ATOM 770 C LEU A 58 14.438 0.112 6.690 1.00 23.30 C ATOM 771 O LEU A 58 13.970 -0.448 7.685 1.00 44.43 O ATOM 772 CB LEU A 58 13.431 -0.200 4.431 1.00 54.11 C ATOM 773 CG LEU A 58 12.561 0.270 3.265 1.00 33.31 C ATOM 774 CD1 LEU A 58 12.533 -0.773 2.169 1.00 51.11 C ATOM 775 CD2 LEU A 58 11.155 0.597 3.724 1.00 71.25 C ATOM 0 H LEU A 58 14.363 2.115 4.290 1.00 55.24 H new ATOM 0 HA LEU A 58 12.537 0.884 6.044 1.00 15.11 H new ATOM 0 HB2 LEU A 58 14.437 -0.381 4.052 1.00 54.11 H new ATOM 0 HB3 LEU A 58 13.044 -1.158 4.778 1.00 54.11 H new ATOM 0 HG LEU A 58 13.003 1.183 2.866 1.00 33.31 H new ATOM 0 HD11 LEU A 58 11.909 -0.421 1.348 1.00 51.11 H new ATOM 0 HD12 LEU A 58 13.546 -0.947 1.806 1.00 51.11 H new ATOM 0 HD13 LEU A 58 12.124 -1.703 2.563 1.00 51.11 H new ATOM 0 HD21 LEU A 58 10.562 0.928 2.872 1.00 71.25 H new ATOM 0 HD22 LEU A 58 10.699 -0.292 4.160 1.00 71.25 H new ATOM 0 HD23 LEU A 58 11.191 1.390 4.471 1.00 71.25 H new ATOM 783 N LEU A 59 15.729 0.240 6.473 1.00 43.31 N ATOM 784 CA LEU A 59 16.720 -0.291 7.382 1.00 4.50 C ATOM 785 C LEU A 59 16.717 0.453 8.713 1.00 2.35 C ATOM 786 O LEU A 59 16.756 -0.175 9.771 1.00 14.50 O ATOM 787 CB LEU A 59 18.122 -0.236 6.755 1.00 71.30 C ATOM 788 CG LEU A 59 18.331 -1.050 5.470 1.00 52.34 C ATOM 789 CD1 LEU A 59 19.741 -0.850 4.942 1.00 4.54 C ATOM 790 CD2 LEU A 59 18.062 -2.531 5.713 1.00 50.31 C ATOM 0 H LEU A 59 16.121 0.716 5.660 1.00 43.31 H new ATOM 0 HA LEU A 59 16.457 -1.331 7.573 1.00 4.50 H new ATOM 0 HB2 LEU A 59 18.359 0.806 6.541 1.00 71.30 H new ATOM 0 HB3 LEU A 59 18.842 -0.581 7.498 1.00 71.30 H new ATOM 0 HG LEU A 59 17.622 -0.694 4.723 1.00 52.34 H new ATOM 0 HD11 LEU A 59 19.874 -1.433 4.031 1.00 4.54 H new ATOM 0 HD12 LEU A 59 19.901 0.206 4.724 1.00 4.54 H new ATOM 0 HD13 LEU A 59 20.460 -1.179 5.692 1.00 4.54 H new ATOM 0 HD21 LEU A 59 18.217 -3.086 4.788 1.00 50.31 H new ATOM 0 HD22 LEU A 59 18.743 -2.904 6.478 1.00 50.31 H new ATOM 0 HD23 LEU A 59 17.033 -2.664 6.048 1.00 50.31 H new ATOM 798 N ASN A 60 16.630 1.785 8.665 1.00 40.24 N ATOM 799 CA ASN A 60 16.731 2.608 9.883 1.00 52.44 C ATOM 800 C ASN A 60 15.490 2.525 10.783 1.00 73.25 C ATOM 801 O ASN A 60 15.537 2.906 11.954 1.00 12.34 O ATOM 802 CB ASN A 60 17.150 4.081 9.584 1.00 23.01 C ATOM 803 CG ASN A 60 16.135 4.940 8.835 1.00 32.34 C ATOM 804 OD1 ASN A 60 14.926 4.788 8.961 1.00 10.42 O ATOM 805 ND2 ASN A 60 16.646 5.856 8.054 1.00 51.14 N ATOM 0 H ASN A 60 16.491 2.317 7.806 1.00 40.24 H new ATOM 0 HA ASN A 60 17.543 2.166 10.460 1.00 52.44 H new ATOM 0 HB2 ASN A 60 17.377 4.570 10.531 1.00 23.01 H new ATOM 0 HB3 ASN A 60 18.074 4.062 9.005 1.00 23.01 H new ATOM 0 HD21 ASN A 60 16.032 6.474 7.524 1.00 51.14 H new ATOM 0 HD22 ASN A 60 17.658 5.952 7.975 1.00 51.14 H new ATOM 811 N GLN A 61 14.400 2.030 10.243 1.00 52.40 N ATOM 812 CA GLN A 61 13.166 1.838 11.013 1.00 71.25 C ATOM 813 C GLN A 61 13.192 0.572 11.866 1.00 64.42 C ATOM 814 O GLN A 61 12.459 0.477 12.854 1.00 62.22 O ATOM 815 CB GLN A 61 11.954 1.803 10.084 1.00 3.23 C ATOM 816 CG GLN A 61 11.573 3.156 9.512 1.00 13.23 C ATOM 817 CD GLN A 61 10.472 3.068 8.481 1.00 71.00 C ATOM 818 OE1 GLN A 61 9.278 3.124 8.799 1.00 74.03 O ATOM 819 NE2 GLN A 61 10.856 2.942 7.241 1.00 34.04 N ATOM 0 H GLN A 61 14.331 1.747 9.265 1.00 52.40 H new ATOM 0 HA GLN A 61 13.090 2.689 11.690 1.00 71.25 H new ATOM 0 HB2 GLN A 61 12.160 1.118 9.262 1.00 3.23 H new ATOM 0 HB3 GLN A 61 11.102 1.399 10.631 1.00 3.23 H new ATOM 0 HG2 GLN A 61 11.254 3.811 10.323 1.00 13.23 H new ATOM 0 HG3 GLN A 61 12.452 3.614 9.059 1.00 13.23 H new ATOM 0 HE21 GLN A 61 11.850 2.899 7.017 1.00 34.04 H new ATOM 0 HE22 GLN A 61 10.162 2.886 6.495 1.00 34.04 H new ATOM 827 N GLN A 62 14.050 -0.370 11.499 1.00 53.24 N ATOM 828 CA GLN A 62 14.064 -1.710 12.102 1.00 41.31 C ATOM 829 C GLN A 62 12.699 -2.367 12.007 1.00 0.33 C ATOM 830 O GLN A 62 11.935 -2.416 12.967 1.00 41.55 O ATOM 831 CB GLN A 62 14.600 -1.803 13.549 1.00 22.42 C ATOM 832 CG GLN A 62 16.088 -1.553 13.756 1.00 5.10 C ATOM 833 CD GLN A 62 16.514 -0.111 13.608 1.00 1.33 C ATOM 834 OE1 GLN A 62 16.492 0.654 14.573 1.00 32.32 O ATOM 835 NE2 GLN A 62 16.962 0.264 12.456 1.00 4.51 N ATOM 0 H GLN A 62 14.758 -0.234 10.777 1.00 53.24 H new ATOM 0 HA GLN A 62 14.793 -2.253 11.501 1.00 41.31 H new ATOM 0 HB2 GLN A 62 14.049 -1.088 14.160 1.00 22.42 H new ATOM 0 HB3 GLN A 62 14.368 -2.796 13.932 1.00 22.42 H new ATOM 0 HG2 GLN A 62 16.365 -1.899 14.752 1.00 5.10 H new ATOM 0 HG3 GLN A 62 16.647 -2.158 13.042 1.00 5.10 H new ATOM 0 HE21 GLN A 62 16.969 -0.390 11.674 1.00 4.51 H new ATOM 0 HE22 GLN A 62 17.309 1.215 12.329 1.00 4.51 H new ATOM 843 N LYS A 63 12.382 -2.798 10.846 1.00 41.13 N ATOM 844 CA LYS A 63 11.128 -3.439 10.584 1.00 23.03 C ATOM 845 C LYS A 63 11.239 -4.955 10.691 1.00 23.43 C ATOM 846 O LYS A 63 12.320 -5.528 10.538 1.00 34.43 O ATOM 847 CB LYS A 63 10.536 -2.976 9.230 1.00 72.21 C ATOM 848 CG LYS A 63 11.584 -2.735 8.148 1.00 74.24 C ATOM 849 CD LYS A 63 12.441 -3.946 7.939 1.00 54.31 C ATOM 850 CE LYS A 63 13.755 -3.559 7.277 1.00 41.42 C ATOM 851 NZ LYS A 63 14.721 -4.670 7.267 1.00 2.02 N ATOM 0 H LYS A 63 12.988 -2.720 10.030 1.00 41.13 H new ATOM 0 HA LYS A 63 10.424 -3.130 11.357 1.00 23.03 H new ATOM 0 HB2 LYS A 63 9.830 -3.728 8.877 1.00 72.21 H new ATOM 0 HB3 LYS A 63 9.971 -2.057 9.387 1.00 72.21 H new ATOM 0 HG2 LYS A 63 11.090 -2.471 7.213 1.00 74.24 H new ATOM 0 HG3 LYS A 63 12.210 -1.888 8.428 1.00 74.24 H new ATOM 0 HD2 LYS A 63 12.637 -4.430 8.896 1.00 54.31 H new ATOM 0 HD3 LYS A 63 11.913 -4.670 7.318 1.00 54.31 H new ATOM 0 HE2 LYS A 63 13.563 -3.237 6.253 1.00 41.42 H new ATOM 0 HE3 LYS A 63 14.188 -2.708 7.803 1.00 41.42 H new ATOM 0 HZ1 LYS A 63 15.652 -4.318 6.964 1.00 2.02 H new ATOM 0 HZ2 LYS A 63 14.797 -5.072 8.223 1.00 2.02 H new ATOM 0 HZ3 LYS A 63 14.397 -5.405 6.607 1.00 2.02 H new ATOM 865 N LYS A 64 10.140 -5.560 10.952 1.00 75.21 N ATOM 866 CA LYS A 64 10.018 -6.997 11.151 1.00 44.03 C ATOM 867 C LYS A 64 8.703 -7.476 10.579 1.00 53.35 C ATOM 868 O LYS A 64 7.856 -6.661 10.201 1.00 65.23 O ATOM 869 CB LYS A 64 10.127 -7.397 12.650 1.00 74.11 C ATOM 870 CG LYS A 64 11.479 -7.095 13.318 1.00 62.10 C ATOM 871 CD LYS A 64 12.640 -7.823 12.631 1.00 61.11 C ATOM 872 CE LYS A 64 12.523 -9.337 12.738 1.00 43.15 C ATOM 873 NZ LYS A 64 13.569 -10.017 11.958 1.00 4.51 N ATOM 0 H LYS A 64 9.251 -5.067 11.041 1.00 75.21 H new ATOM 0 HA LYS A 64 10.848 -7.476 10.631 1.00 44.03 H new ATOM 0 HB2 LYS A 64 9.344 -6.880 13.204 1.00 74.11 H new ATOM 0 HB3 LYS A 64 9.928 -8.465 12.739 1.00 74.11 H new ATOM 0 HG2 LYS A 64 11.662 -6.021 13.295 1.00 62.10 H new ATOM 0 HG3 LYS A 64 11.438 -7.389 14.367 1.00 62.10 H new ATOM 0 HD2 LYS A 64 12.672 -7.538 11.580 1.00 61.11 H new ATOM 0 HD3 LYS A 64 13.581 -7.502 13.077 1.00 61.11 H new ATOM 0 HE2 LYS A 64 12.596 -9.635 13.784 1.00 43.15 H new ATOM 0 HE3 LYS A 64 11.541 -9.653 12.385 1.00 43.15 H new ATOM 0 HZ1 LYS A 64 13.766 -10.948 12.378 1.00 4.51 H new ATOM 0 HZ2 LYS A 64 13.245 -10.142 10.978 1.00 4.51 H new ATOM 0 HZ3 LYS A 64 14.436 -9.443 11.966 1.00 4.51 H new ATOM 887 N SER A 65 8.548 -8.780 10.507 1.00 41.41 N ATOM 888 CA SER A 65 7.370 -9.431 9.975 1.00 21.11 C ATOM 889 C SER A 65 6.072 -8.948 10.648 1.00 25.11 C ATOM 890 O SER A 65 5.987 -8.890 11.884 1.00 24.15 O ATOM 891 CB SER A 65 7.539 -10.936 10.167 1.00 1.43 C ATOM 892 OG SER A 65 7.827 -11.247 11.524 1.00 60.24 O ATOM 0 H SER A 65 9.260 -9.437 10.827 1.00 41.41 H new ATOM 0 HA SER A 65 7.277 -9.179 8.919 1.00 21.11 H new ATOM 0 HB2 SER A 65 6.629 -11.450 9.858 1.00 1.43 H new ATOM 0 HB3 SER A 65 8.344 -11.300 9.528 1.00 1.43 H new ATOM 0 HG SER A 65 7.330 -10.640 12.111 1.00 60.24 H new ATOM 898 N GLY A 66 5.087 -8.583 9.835 1.00 54.54 N ATOM 899 CA GLY A 66 3.795 -8.175 10.362 1.00 73.10 C ATOM 900 C GLY A 66 3.744 -6.706 10.703 1.00 11.33 C ATOM 901 O GLY A 66 2.803 -6.230 11.348 1.00 62.23 O ATOM 0 H GLY A 66 5.159 -8.562 8.818 1.00 54.54 H new ATOM 0 HA2 GLY A 66 3.020 -8.401 9.629 1.00 73.10 H new ATOM 0 HA3 GLY A 66 3.570 -8.759 11.254 1.00 73.10 H new ATOM 905 N GLU A 67 4.744 -5.982 10.282 1.00 75.32 N ATOM 906 CA GLU A 67 4.812 -4.569 10.537 1.00 20.44 C ATOM 907 C GLU A 67 4.923 -3.822 9.239 1.00 22.31 C ATOM 908 O GLU A 67 5.062 -4.441 8.181 1.00 63.10 O ATOM 909 CB GLU A 67 5.962 -4.239 11.480 1.00 44.35 C ATOM 910 CG GLU A 67 5.851 -4.974 12.796 1.00 62.30 C ATOM 911 CD GLU A 67 6.854 -4.539 13.804 1.00 53.43 C ATOM 912 OE1 GLU A 67 7.968 -5.109 13.848 1.00 62.54 O ATOM 913 OE2 GLU A 67 6.535 -3.637 14.588 1.00 54.31 O ATOM 0 H GLU A 67 5.533 -6.353 9.754 1.00 75.32 H new ATOM 0 HA GLU A 67 3.894 -4.253 11.033 1.00 20.44 H new ATOM 0 HB2 GLU A 67 6.907 -4.496 11.001 1.00 44.35 H new ATOM 0 HB3 GLU A 67 5.980 -3.165 11.666 1.00 44.35 H new ATOM 0 HG2 GLU A 67 4.851 -4.826 13.203 1.00 62.30 H new ATOM 0 HG3 GLU A 67 5.967 -6.043 12.617 1.00 62.30 H new ATOM 920 N VAL A 68 4.835 -2.522 9.284 1.00 62.54 N ATOM 921 CA VAL A 68 4.903 -1.752 8.073 1.00 34.23 C ATOM 922 C VAL A 68 6.016 -0.720 8.169 1.00 12.40 C ATOM 923 O VAL A 68 6.238 -0.109 9.226 1.00 13.34 O ATOM 924 CB VAL A 68 3.536 -1.047 7.753 1.00 33.13 C ATOM 925 CG1 VAL A 68 3.193 0.035 8.772 1.00 73.44 C ATOM 926 CG2 VAL A 68 3.510 -0.486 6.346 1.00 51.30 C ATOM 0 H VAL A 68 4.717 -1.977 10.138 1.00 62.54 H new ATOM 0 HA VAL A 68 5.119 -2.440 7.256 1.00 34.23 H new ATOM 0 HB VAL A 68 2.769 -1.818 7.823 1.00 33.13 H new ATOM 0 HG11 VAL A 68 2.240 0.494 8.509 1.00 73.44 H new ATOM 0 HG12 VAL A 68 3.120 -0.410 9.764 1.00 73.44 H new ATOM 0 HG13 VAL A 68 3.974 0.796 8.772 1.00 73.44 H new ATOM 0 HG21 VAL A 68 2.548 -0.007 6.163 1.00 51.30 H new ATOM 0 HG22 VAL A 68 4.308 0.247 6.232 1.00 51.30 H new ATOM 0 HG23 VAL A 68 3.654 -1.294 5.629 1.00 51.30 H new ATOM 932 N ALA A 69 6.738 -0.571 7.109 1.00 30.30 N ATOM 933 CA ALA A 69 7.741 0.440 7.021 1.00 54.31 C ATOM 934 C ALA A 69 7.174 1.550 6.177 1.00 23.13 C ATOM 935 O ALA A 69 6.575 1.288 5.139 1.00 44.22 O ATOM 936 CB ALA A 69 9.009 -0.119 6.414 1.00 1.13 C ATOM 0 H ALA A 69 6.649 -1.150 6.274 1.00 30.30 H new ATOM 0 HA ALA A 69 8.006 0.814 8.010 1.00 54.31 H new ATOM 0 HB1 ALA A 69 9.762 0.667 6.355 1.00 1.13 H new ATOM 0 HB2 ALA A 69 9.382 -0.933 7.036 1.00 1.13 H new ATOM 0 HB3 ALA A 69 8.798 -0.495 5.413 1.00 1.13 H new ATOM 942 N VAL A 70 7.316 2.772 6.614 1.00 41.23 N ATOM 943 CA VAL A 70 6.700 3.874 5.911 1.00 5.31 C ATOM 944 C VAL A 70 7.753 4.902 5.541 1.00 60.32 C ATOM 945 O VAL A 70 8.761 5.055 6.241 1.00 61.33 O ATOM 946 CB VAL A 70 5.595 4.568 6.781 1.00 54.45 C ATOM 947 CG1 VAL A 70 4.787 5.573 5.978 1.00 74.15 C ATOM 948 CG2 VAL A 70 4.692 3.563 7.482 1.00 2.34 C ATOM 0 H VAL A 70 7.847 3.033 7.445 1.00 41.23 H new ATOM 0 HA VAL A 70 6.232 3.471 5.013 1.00 5.31 H new ATOM 0 HB VAL A 70 6.121 5.120 7.560 1.00 54.45 H new ATOM 0 HG11 VAL A 70 4.033 6.030 6.620 1.00 74.15 H new ATOM 0 HG12 VAL A 70 5.450 6.346 5.590 1.00 74.15 H new ATOM 0 HG13 VAL A 70 4.297 5.065 5.147 1.00 74.15 H new ATOM 0 HG21 VAL A 70 3.944 4.094 8.071 1.00 2.34 H new ATOM 0 HG22 VAL A 70 4.193 2.941 6.738 1.00 2.34 H new ATOM 0 HG23 VAL A 70 5.291 2.933 8.139 1.00 2.34 H new ATOM 954 N LEU A 71 7.534 5.581 4.452 1.00 74.31 N ATOM 955 CA LEU A 71 8.396 6.642 4.014 1.00 22.44 C ATOM 956 C LEU A 71 7.543 7.866 3.875 1.00 0.53 C ATOM 957 O LEU A 71 6.470 7.797 3.273 1.00 31.40 O ATOM 958 CB LEU A 71 8.961 6.351 2.621 1.00 44.21 C ATOM 959 CG LEU A 71 9.629 5.009 2.384 1.00 0.21 C ATOM 960 CD1 LEU A 71 10.112 4.931 0.949 1.00 64.23 C ATOM 961 CD2 LEU A 71 10.777 4.796 3.339 1.00 44.41 C ATOM 0 H LEU A 71 6.740 5.411 3.834 1.00 74.31 H new ATOM 0 HA LEU A 71 9.213 6.757 4.726 1.00 22.44 H new ATOM 0 HB2 LEU A 71 8.146 6.448 1.904 1.00 44.21 H new ATOM 0 HB3 LEU A 71 9.686 7.130 2.387 1.00 44.21 H new ATOM 0 HG LEU A 71 8.899 4.220 2.563 1.00 0.21 H new ATOM 0 HD11 LEU A 71 10.592 3.967 0.778 1.00 64.23 H new ATOM 0 HD12 LEU A 71 9.264 5.039 0.273 1.00 64.23 H new ATOM 0 HD13 LEU A 71 10.828 5.731 0.762 1.00 64.23 H new ATOM 0 HD21 LEU A 71 11.236 3.827 3.146 1.00 44.41 H new ATOM 0 HD22 LEU A 71 11.518 5.583 3.198 1.00 44.41 H new ATOM 0 HD23 LEU A 71 10.408 4.824 4.364 1.00 44.41 H new ATOM 969 N LYS A 72 7.970 8.959 4.421 1.00 41.41 N ATOM 970 CA LYS A 72 7.243 10.174 4.249 1.00 3.33 C ATOM 971 C LYS A 72 7.911 10.915 3.124 1.00 43.40 C ATOM 972 O LYS A 72 9.050 11.354 3.256 1.00 42.52 O ATOM 973 CB LYS A 72 7.282 10.984 5.523 1.00 22.22 C ATOM 974 CG LYS A 72 6.441 12.242 5.504 1.00 53.41 C ATOM 975 CD LYS A 72 6.595 12.993 6.804 1.00 24.41 C ATOM 976 CE LYS A 72 5.763 14.253 6.828 1.00 71.12 C ATOM 977 NZ LYS A 72 6.006 15.042 8.055 1.00 20.50 N ATOM 0 H LYS A 72 8.815 9.035 4.987 1.00 41.41 H new ATOM 0 HA LYS A 72 6.195 9.984 4.018 1.00 3.33 H new ATOM 0 HB2 LYS A 72 6.948 10.354 6.347 1.00 22.22 H new ATOM 0 HB3 LYS A 72 8.316 11.259 5.730 1.00 22.22 H new ATOM 0 HG2 LYS A 72 6.743 12.877 4.671 1.00 53.41 H new ATOM 0 HG3 LYS A 72 5.394 11.985 5.346 1.00 53.41 H new ATOM 0 HD2 LYS A 72 6.302 12.348 7.633 1.00 24.41 H new ATOM 0 HD3 LYS A 72 7.644 13.248 6.954 1.00 24.41 H new ATOM 0 HE2 LYS A 72 5.995 14.860 5.953 1.00 71.12 H new ATOM 0 HE3 LYS A 72 4.706 13.993 6.765 1.00 71.12 H new ATOM 0 HZ1 LYS A 72 5.418 15.900 8.038 1.00 20.50 H new ATOM 0 HZ2 LYS A 72 5.761 14.471 8.889 1.00 20.50 H new ATOM 0 HZ3 LYS A 72 7.010 15.311 8.102 1.00 20.50 H new ATOM 991 N ARG A 73 7.227 11.036 2.032 1.00 14.20 N ATOM 992 CA ARG A 73 7.803 11.605 0.807 1.00 64.23 C ATOM 993 C ARG A 73 6.854 12.640 0.220 1.00 33.43 C ATOM 994 O ARG A 73 5.740 12.294 -0.163 1.00 50.01 O ATOM 995 CB ARG A 73 7.996 10.492 -0.258 1.00 21.44 C ATOM 996 CG ARG A 73 8.887 9.280 0.105 1.00 12.45 C ATOM 997 CD ARG A 73 10.388 9.595 0.224 1.00 71.43 C ATOM 998 NE ARG A 73 10.735 10.417 1.380 1.00 51.41 N ATOM 999 CZ ARG A 73 11.948 10.467 1.954 1.00 14.45 C ATOM 1000 NH1 ARG A 73 12.954 9.746 1.479 1.00 62.33 N ATOM 1001 NH2 ARG A 73 12.143 11.245 2.994 1.00 43.32 N ATOM 0 H ARG A 73 6.252 10.750 1.941 1.00 14.20 H new ATOM 0 HA ARG A 73 8.760 12.061 1.062 1.00 64.23 H new ATOM 0 HB2 ARG A 73 7.010 10.112 -0.525 1.00 21.44 H new ATOM 0 HB3 ARG A 73 8.412 10.955 -1.152 1.00 21.44 H new ATOM 0 HG2 ARG A 73 8.541 8.863 1.051 1.00 12.45 H new ATOM 0 HG3 ARG A 73 8.751 8.508 -0.652 1.00 12.45 H new ATOM 0 HD2 ARG A 73 10.942 8.658 0.279 1.00 71.43 H new ATOM 0 HD3 ARG A 73 10.714 10.105 -0.682 1.00 71.43 H new ATOM 0 HE ARG A 73 9.999 10.998 1.782 1.00 51.41 H new ATOM 0 HH11 ARG A 73 12.812 9.144 0.668 1.00 62.33 H new ATOM 0 HH12 ARG A 73 13.870 9.793 1.925 1.00 62.33 H new ATOM 0 HH21 ARG A 73 11.375 11.807 3.362 1.00 43.32 H new ATOM 0 HH22 ARG A 73 13.062 11.287 3.434 1.00 43.32 H new ATOM 1013 N ASP A 74 7.287 13.900 0.181 1.00 24.42 N ATOM 1014 CA ASP A 74 6.518 15.024 -0.435 1.00 3.04 C ATOM 1015 C ASP A 74 5.144 15.182 0.243 1.00 44.21 C ATOM 1016 O ASP A 74 4.186 15.685 -0.330 1.00 53.25 O ATOM 1017 CB ASP A 74 6.379 14.782 -1.975 1.00 31.23 C ATOM 1018 CG ASP A 74 5.728 15.940 -2.740 1.00 32.02 C ATOM 1019 OD1 ASP A 74 6.270 17.071 -2.697 1.00 72.02 O ATOM 1020 OD2 ASP A 74 4.705 15.722 -3.439 1.00 64.21 O ATOM 0 H ASP A 74 8.183 14.189 0.573 1.00 24.42 H new ATOM 0 HA ASP A 74 7.059 15.958 -0.282 1.00 3.04 H new ATOM 0 HB2 ASP A 74 7.369 14.597 -2.393 1.00 31.23 H new ATOM 0 HB3 ASP A 74 5.791 13.879 -2.137 1.00 31.23 H new ATOM 1025 N GLY A 75 5.091 14.818 1.506 1.00 20.51 N ATOM 1026 CA GLY A 75 3.850 14.918 2.245 1.00 52.12 C ATOM 1027 C GLY A 75 2.968 13.687 2.085 1.00 4.33 C ATOM 1028 O GLY A 75 1.867 13.627 2.637 1.00 42.41 O ATOM 0 H GLY A 75 5.882 14.454 2.038 1.00 20.51 H new ATOM 0 HA2 GLY A 75 4.072 15.065 3.302 1.00 52.12 H new ATOM 0 HA3 GLY A 75 3.302 15.798 1.909 1.00 52.12 H new ATOM 1032 N ARG A 76 3.438 12.714 1.335 1.00 21.12 N ATOM 1033 CA ARG A 76 2.707 11.475 1.146 1.00 30.22 C ATOM 1034 C ARG A 76 3.371 10.401 1.958 1.00 33.24 C ATOM 1035 O ARG A 76 4.475 10.598 2.489 1.00 1.42 O ATOM 1036 CB ARG A 76 2.737 11.015 -0.316 1.00 53.11 C ATOM 1037 CG ARG A 76 2.229 12.004 -1.331 1.00 73.42 C ATOM 1038 CD ARG A 76 2.268 11.392 -2.723 1.00 22.41 C ATOM 1039 NE ARG A 76 1.333 10.271 -2.873 1.00 12.42 N ATOM 1040 CZ ARG A 76 1.340 9.398 -3.887 1.00 43.50 C ATOM 1041 NH1 ARG A 76 2.305 9.447 -4.794 1.00 62.01 N ATOM 1042 NH2 ARG A 76 0.395 8.468 -3.982 1.00 11.42 N ATOM 0 H ARG A 76 4.330 12.756 0.842 1.00 21.12 H new ATOM 0 HA ARG A 76 1.674 11.648 1.448 1.00 30.22 H new ATOM 0 HB2 ARG A 76 3.764 10.756 -0.573 1.00 53.11 H new ATOM 0 HB3 ARG A 76 2.147 10.102 -0.401 1.00 53.11 H new ATOM 0 HG2 ARG A 76 1.209 12.299 -1.084 1.00 73.42 H new ATOM 0 HG3 ARG A 76 2.838 12.908 -1.306 1.00 73.42 H new ATOM 0 HD2 ARG A 76 2.031 12.159 -3.460 1.00 22.41 H new ATOM 0 HD3 ARG A 76 3.280 11.047 -2.936 1.00 22.41 H new ATOM 0 HE ARG A 76 0.624 10.148 -2.150 1.00 12.42 H new ATOM 0 HH11 ARG A 76 3.041 10.149 -4.718 1.00 62.01 H new ATOM 0 HH12 ARG A 76 2.312 8.782 -5.568 1.00 62.01 H new ATOM 0 HH21 ARG A 76 -0.342 8.416 -3.279 1.00 11.42 H new ATOM 0 HH22 ARG A 76 0.407 7.806 -4.758 1.00 11.42 H new ATOM 1054 N TYR A 77 2.730 9.283 2.052 1.00 72.00 N ATOM 1055 CA TYR A 77 3.278 8.159 2.735 1.00 0.14 C ATOM 1056 C TYR A 77 3.437 6.985 1.817 1.00 61.11 C ATOM 1057 O TYR A 77 2.644 6.793 0.899 1.00 53.00 O ATOM 1058 CB TYR A 77 2.462 7.808 3.971 1.00 2.24 C ATOM 1059 CG TYR A 77 2.657 8.797 5.077 1.00 22.42 C ATOM 1060 CD1 TYR A 77 3.878 8.879 5.708 1.00 42.15 C ATOM 1061 CD2 TYR A 77 1.654 9.658 5.483 1.00 51.04 C ATOM 1062 CE1 TYR A 77 4.108 9.769 6.704 1.00 72.02 C ATOM 1063 CE2 TYR A 77 1.879 10.573 6.497 1.00 34.40 C ATOM 1064 CZ TYR A 77 3.114 10.618 7.101 1.00 65.33 C ATOM 1065 OH TYR A 77 3.361 11.521 8.102 1.00 20.00 O ATOM 0 H TYR A 77 1.805 9.123 1.654 1.00 72.00 H new ATOM 0 HA TYR A 77 4.275 8.435 3.078 1.00 0.14 H new ATOM 0 HB2 TYR A 77 1.405 7.765 3.707 1.00 2.24 H new ATOM 0 HB3 TYR A 77 2.744 6.815 4.320 1.00 2.24 H new ATOM 0 HD1 TYR A 77 4.674 8.216 5.401 1.00 42.15 H new ATOM 0 HD2 TYR A 77 0.687 9.616 5.005 1.00 51.04 H new ATOM 0 HE1 TYR A 77 5.075 9.807 7.183 1.00 72.02 H new ATOM 0 HE2 TYR A 77 1.093 11.244 6.811 1.00 34.40 H new ATOM 0 HH TYR A 77 2.555 12.053 8.269 1.00 20.00 H new ATOM 1075 N ILE A 78 4.475 6.229 2.032 1.00 64.13 N ATOM 1076 CA ILE A 78 4.729 5.059 1.238 1.00 70.22 C ATOM 1077 C ILE A 78 4.781 3.894 2.194 1.00 63.01 C ATOM 1078 O ILE A 78 5.629 3.864 3.080 1.00 42.25 O ATOM 1079 CB ILE A 78 6.086 5.145 0.469 1.00 64.30 C ATOM 1080 CG1 ILE A 78 6.208 6.458 -0.342 1.00 12.12 C ATOM 1081 CG2 ILE A 78 6.243 3.943 -0.461 1.00 30.40 C ATOM 1082 CD1 ILE A 78 5.159 6.644 -1.424 1.00 1.54 C ATOM 0 H ILE A 78 5.168 6.404 2.760 1.00 64.13 H new ATOM 0 HA ILE A 78 3.945 4.954 0.488 1.00 70.22 H new ATOM 0 HB ILE A 78 6.883 5.138 1.212 1.00 64.30 H new ATOM 0 HG12 ILE A 78 6.150 7.300 0.348 1.00 12.12 H new ATOM 0 HG13 ILE A 78 7.195 6.492 -0.804 1.00 12.12 H new ATOM 0 HG21 ILE A 78 7.193 4.015 -0.991 1.00 30.40 H new ATOM 0 HG22 ILE A 78 6.223 3.024 0.125 1.00 30.40 H new ATOM 0 HG23 ILE A 78 5.425 3.931 -1.182 1.00 30.40 H new ATOM 0 HD11 ILE A 78 5.328 7.591 -1.936 1.00 1.54 H new ATOM 0 HD12 ILE A 78 5.228 5.827 -2.142 1.00 1.54 H new ATOM 0 HD13 ILE A 78 4.167 6.648 -0.972 1.00 1.54 H new ATOM 1089 N TYR A 79 3.883 2.972 2.038 1.00 4.55 N ATOM 1090 CA TYR A 79 3.774 1.856 2.938 1.00 32.24 C ATOM 1091 C TYR A 79 4.379 0.596 2.358 1.00 4.33 C ATOM 1092 O TYR A 79 4.093 0.206 1.211 1.00 62.43 O ATOM 1093 CB TYR A 79 2.317 1.600 3.311 1.00 53.03 C ATOM 1094 CG TYR A 79 1.638 2.740 4.040 1.00 20.34 C ATOM 1095 CD1 TYR A 79 1.729 2.850 5.417 1.00 24.11 C ATOM 1096 CD2 TYR A 79 0.894 3.694 3.353 1.00 3.21 C ATOM 1097 CE1 TYR A 79 1.103 3.869 6.094 1.00 30.13 C ATOM 1098 CE2 TYR A 79 0.265 4.723 4.027 1.00 63.31 C ATOM 1099 CZ TYR A 79 0.375 4.802 5.398 1.00 54.24 C ATOM 1100 OH TYR A 79 -0.257 5.819 6.087 1.00 14.41 O ATOM 0 H TYR A 79 3.200 2.968 1.281 1.00 4.55 H new ATOM 0 HA TYR A 79 4.336 2.119 3.834 1.00 32.24 H new ATOM 0 HB2 TYR A 79 1.756 1.384 2.401 1.00 53.03 H new ATOM 0 HB3 TYR A 79 2.268 0.708 3.935 1.00 53.03 H new ATOM 0 HD1 TYR A 79 2.303 2.121 5.970 1.00 24.11 H new ATOM 0 HD2 TYR A 79 0.807 3.629 2.278 1.00 3.21 H new ATOM 0 HE1 TYR A 79 1.183 3.936 7.169 1.00 30.13 H new ATOM 0 HE2 TYR A 79 -0.308 5.459 3.484 1.00 63.31 H new ATOM 0 HH TYR A 79 -1.228 5.712 6.010 1.00 14.41 H new ATOM 1110 N TYR A 80 5.220 -0.015 3.137 1.00 61.13 N ATOM 1111 CA TYR A 80 5.830 -1.270 2.814 1.00 1.31 C ATOM 1112 C TYR A 80 5.399 -2.314 3.811 1.00 34.11 C ATOM 1113 O TYR A 80 5.857 -2.309 4.962 1.00 51.00 O ATOM 1114 CB TYR A 80 7.351 -1.155 2.814 1.00 25.32 C ATOM 1115 CG TYR A 80 7.901 -0.297 1.717 1.00 5.30 C ATOM 1116 CD1 TYR A 80 8.206 -0.854 0.500 1.00 41.43 C ATOM 1117 CD2 TYR A 80 8.112 1.059 1.886 1.00 43.22 C ATOM 1118 CE1 TYR A 80 8.707 -0.107 -0.521 1.00 60.01 C ATOM 1119 CE2 TYR A 80 8.614 1.823 0.856 1.00 3.04 C ATOM 1120 CZ TYR A 80 8.908 1.228 -0.348 1.00 54.20 C ATOM 1121 OH TYR A 80 9.393 1.972 -1.390 1.00 33.12 O ATOM 0 H TYR A 80 5.509 0.357 4.042 1.00 61.13 H new ATOM 0 HA TYR A 80 5.509 -1.561 1.814 1.00 1.31 H new ATOM 0 HB2 TYR A 80 7.674 -0.750 3.773 1.00 25.32 H new ATOM 0 HB3 TYR A 80 7.780 -2.153 2.729 1.00 25.32 H new ATOM 0 HD1 TYR A 80 8.044 -1.911 0.349 1.00 41.43 H new ATOM 0 HD2 TYR A 80 7.881 1.523 2.834 1.00 43.22 H new ATOM 0 HE1 TYR A 80 8.945 -0.572 -1.466 1.00 60.01 H new ATOM 0 HE2 TYR A 80 8.776 2.882 0.993 1.00 3.04 H new ATOM 0 HH TYR A 80 9.481 2.907 -1.111 1.00 33.12 H new ATOM 1131 N LEU A 81 4.496 -3.165 3.395 1.00 10.11 N ATOM 1132 CA LEU A 81 4.017 -4.243 4.233 1.00 70.31 C ATOM 1133 C LEU A 81 5.112 -5.292 4.338 1.00 30.22 C ATOM 1134 O LEU A 81 5.452 -5.936 3.340 1.00 32.23 O ATOM 1135 CB LEU A 81 2.743 -4.867 3.624 1.00 35.31 C ATOM 1136 CG LEU A 81 1.555 -3.920 3.391 1.00 43.34 C ATOM 1137 CD1 LEU A 81 0.438 -4.646 2.670 1.00 15.12 C ATOM 1138 CD2 LEU A 81 1.037 -3.368 4.707 1.00 21.02 C ATOM 0 H LEU A 81 4.071 -3.133 2.468 1.00 10.11 H new ATOM 0 HA LEU A 81 3.769 -3.861 5.223 1.00 70.31 H new ATOM 0 HB2 LEU A 81 3.009 -5.321 2.669 1.00 35.31 H new ATOM 0 HB3 LEU A 81 2.412 -5.673 4.279 1.00 35.31 H new ATOM 0 HG LEU A 81 1.902 -3.090 2.776 1.00 43.34 H new ATOM 0 HD11 LEU A 81 -0.397 -3.963 2.512 1.00 15.12 H new ATOM 0 HD12 LEU A 81 0.800 -5.006 1.707 1.00 15.12 H new ATOM 0 HD13 LEU A 81 0.106 -5.492 3.272 1.00 15.12 H new ATOM 0 HD21 LEU A 81 0.197 -2.701 4.516 1.00 21.02 H new ATOM 0 HD22 LEU A 81 0.710 -4.191 5.343 1.00 21.02 H new ATOM 0 HD23 LEU A 81 1.832 -2.816 5.208 1.00 21.02 H new ATOM 1146 N ILE A 82 5.668 -5.443 5.521 1.00 55.23 N ATOM 1147 CA ILE A 82 6.783 -6.347 5.751 1.00 41.31 C ATOM 1148 C ILE A 82 6.268 -7.762 6.037 1.00 44.32 C ATOM 1149 O ILE A 82 5.541 -7.994 7.020 1.00 53.43 O ATOM 1150 CB ILE A 82 7.642 -5.870 6.953 1.00 42.35 C ATOM 1151 CG1 ILE A 82 8.104 -4.407 6.767 1.00 65.32 C ATOM 1152 CG2 ILE A 82 8.851 -6.780 7.122 1.00 33.33 C ATOM 1153 CD1 ILE A 82 9.145 -4.179 5.681 1.00 65.35 C ATOM 0 H ILE A 82 5.361 -4.942 6.355 1.00 55.23 H new ATOM 0 HA ILE A 82 7.399 -6.354 4.852 1.00 41.31 H new ATOM 0 HB ILE A 82 7.024 -5.918 7.850 1.00 42.35 H new ATOM 0 HG12 ILE A 82 7.231 -3.795 6.542 1.00 65.32 H new ATOM 0 HG13 ILE A 82 8.509 -4.050 7.714 1.00 65.32 H new ATOM 0 HG21 ILE A 82 9.448 -6.438 7.967 1.00 33.33 H new ATOM 0 HG22 ILE A 82 8.515 -7.801 7.304 1.00 33.33 H new ATOM 0 HG23 ILE A 82 9.456 -6.753 6.216 1.00 33.33 H new ATOM 0 HD11 ILE A 82 9.398 -3.120 5.636 1.00 65.35 H new ATOM 0 HD12 ILE A 82 10.041 -4.756 5.909 1.00 65.35 H new ATOM 0 HD13 ILE A 82 8.743 -4.498 4.719 1.00 65.35 H new ATOM 1160 N THR A 83 6.641 -8.686 5.192 1.00 12.12 N ATOM 1161 CA THR A 83 6.223 -10.066 5.307 1.00 3.20 C ATOM 1162 C THR A 83 7.147 -10.905 6.174 1.00 54.32 C ATOM 1163 O THR A 83 6.847 -11.171 7.322 1.00 71.32 O ATOM 1164 CB THR A 83 6.106 -10.687 3.927 1.00 63.31 C ATOM 1165 OG1 THR A 83 7.259 -10.314 3.133 1.00 72.43 O ATOM 1166 CG2 THR A 83 4.851 -10.236 3.267 1.00 11.12 C ATOM 0 H THR A 83 7.250 -8.504 4.394 1.00 12.12 H new ATOM 0 HA THR A 83 5.252 -10.057 5.802 1.00 3.20 H new ATOM 0 HB THR A 83 6.073 -11.773 4.019 1.00 63.31 H new ATOM 0 HG1 THR A 83 6.975 -10.120 2.215 1.00 72.43 H new ATOM 0 HG21 THR A 83 4.778 -10.688 2.278 1.00 11.12 H new ATOM 0 HG22 THR A 83 3.994 -10.539 3.869 1.00 11.12 H new ATOM 0 HG23 THR A 83 4.861 -9.150 3.170 1.00 11.12 H new ATOM 1172 N LYS A 84 8.243 -11.314 5.595 1.00 64.33 N ATOM 1173 CA LYS A 84 9.289 -12.084 6.234 1.00 4.33 C ATOM 1174 C LYS A 84 10.580 -11.871 5.506 1.00 33.02 C ATOM 1175 O LYS A 84 10.647 -10.995 4.663 1.00 22.35 O ATOM 1176 CB LYS A 84 8.946 -13.575 6.420 1.00 5.24 C ATOM 1177 CG LYS A 84 8.315 -13.880 7.778 1.00 24.40 C ATOM 1178 CD LYS A 84 8.056 -15.361 7.972 1.00 33.44 C ATOM 1179 CE LYS A 84 7.660 -15.675 9.413 1.00 21.55 C ATOM 1180 NZ LYS A 84 6.451 -14.946 9.848 1.00 22.21 N ATOM 0 H LYS A 84 8.446 -11.112 4.616 1.00 64.33 H new ATOM 0 HA LYS A 84 9.394 -11.713 7.254 1.00 4.33 H new ATOM 0 HB2 LYS A 84 8.262 -13.886 5.630 1.00 5.24 H new ATOM 0 HB3 LYS A 84 9.854 -14.167 6.307 1.00 5.24 H new ATOM 0 HG2 LYS A 84 8.972 -13.521 8.570 1.00 24.40 H new ATOM 0 HG3 LYS A 84 7.376 -13.334 7.871 1.00 24.40 H new ATOM 0 HD2 LYS A 84 7.264 -15.685 7.297 1.00 33.44 H new ATOM 0 HD3 LYS A 84 8.950 -15.926 7.708 1.00 33.44 H new ATOM 0 HE2 LYS A 84 7.487 -16.747 9.512 1.00 21.55 H new ATOM 0 HE3 LYS A 84 8.488 -15.423 10.075 1.00 21.55 H new ATOM 0 HZ1 LYS A 84 6.719 -14.201 10.523 1.00 22.21 H new ATOM 0 HZ2 LYS A 84 5.989 -14.515 9.022 1.00 22.21 H new ATOM 0 HZ3 LYS A 84 5.793 -15.608 10.306 1.00 22.21 H new ATOM 1194 N LYS A 85 11.584 -12.691 5.779 1.00 65.15 N ATOM 1195 CA LYS A 85 12.950 -12.390 5.364 1.00 41.24 C ATOM 1196 C LYS A 85 13.148 -12.119 3.861 1.00 44.23 C ATOM 1197 O LYS A 85 13.741 -11.117 3.509 1.00 63.41 O ATOM 1198 CB LYS A 85 13.985 -13.454 5.831 1.00 62.01 C ATOM 1199 CG LYS A 85 14.097 -13.662 7.346 1.00 34.32 C ATOM 1200 CD LYS A 85 13.059 -14.621 7.925 1.00 43.51 C ATOM 1201 CE LYS A 85 13.381 -16.065 7.568 1.00 33.25 C ATOM 1202 NZ LYS A 85 12.437 -17.021 8.197 1.00 60.14 N ATOM 0 H LYS A 85 11.481 -13.570 6.286 1.00 65.15 H new ATOM 0 HA LYS A 85 13.138 -11.448 5.880 1.00 41.24 H new ATOM 0 HB2 LYS A 85 13.728 -14.408 5.371 1.00 62.01 H new ATOM 0 HB3 LYS A 85 14.966 -13.170 5.450 1.00 62.01 H new ATOM 0 HG2 LYS A 85 15.093 -14.040 7.577 1.00 34.32 H new ATOM 0 HG3 LYS A 85 14.000 -12.696 7.842 1.00 34.32 H new ATOM 0 HD2 LYS A 85 13.024 -14.511 9.009 1.00 43.51 H new ATOM 0 HD3 LYS A 85 12.070 -14.362 7.546 1.00 43.51 H new ATOM 0 HE2 LYS A 85 13.350 -16.185 6.485 1.00 33.25 H new ATOM 0 HE3 LYS A 85 14.397 -16.298 7.886 1.00 33.25 H new ATOM 0 HZ1 LYS A 85 12.694 -17.992 7.927 1.00 60.14 H new ATOM 0 HZ2 LYS A 85 12.484 -16.926 9.232 1.00 60.14 H new ATOM 0 HZ3 LYS A 85 11.470 -16.817 7.875 1.00 60.14 H new ATOM 1216 N ARG A 86 12.628 -12.958 2.975 1.00 30.40 N ATOM 1217 CA ARG A 86 12.930 -12.756 1.548 1.00 40.02 C ATOM 1218 C ARG A 86 11.726 -12.782 0.638 1.00 75.54 C ATOM 1219 O ARG A 86 10.732 -13.445 0.916 1.00 72.50 O ATOM 1220 CB ARG A 86 14.031 -13.692 1.038 1.00 22.31 C ATOM 1221 CG ARG A 86 15.399 -13.406 1.637 1.00 23.21 C ATOM 1222 CD ARG A 86 16.469 -14.294 1.043 1.00 53.20 C ATOM 1223 NE ARG A 86 16.300 -15.704 1.401 1.00 42.52 N ATOM 1224 CZ ARG A 86 16.435 -16.728 0.550 1.00 34.13 C ATOM 1225 NH1 ARG A 86 16.566 -16.504 -0.752 1.00 41.54 N ATOM 1226 NH2 ARG A 86 16.419 -17.965 1.004 1.00 64.33 N ATOM 0 H ARG A 86 12.023 -13.750 3.193 1.00 30.40 H new ATOM 0 HA ARG A 86 13.309 -11.735 1.503 1.00 40.02 H new ATOM 0 HB2 ARG A 86 13.753 -14.722 1.262 1.00 22.31 H new ATOM 0 HB3 ARG A 86 14.094 -13.608 -0.047 1.00 22.31 H new ATOM 0 HG2 ARG A 86 15.659 -12.361 1.468 1.00 23.21 H new ATOM 0 HG3 ARG A 86 15.361 -13.554 2.716 1.00 23.21 H new ATOM 0 HD2 ARG A 86 16.455 -14.195 -0.042 1.00 53.20 H new ATOM 0 HD3 ARG A 86 17.447 -13.953 1.382 1.00 53.20 H new ATOM 0 HE ARG A 86 16.062 -15.921 2.369 1.00 42.52 H new ATOM 0 HH11 ARG A 86 16.564 -15.548 -1.108 1.00 41.54 H new ATOM 0 HH12 ARG A 86 16.669 -17.288 -1.397 1.00 41.54 H new ATOM 0 HH21 ARG A 86 16.304 -18.140 2.002 1.00 64.33 H new ATOM 0 HH22 ARG A 86 16.522 -18.747 0.357 1.00 64.33 H new ATOM 1238 N ALA A 87 11.859 -12.050 -0.470 1.00 30.40 N ATOM 1239 CA ALA A 87 10.816 -11.865 -1.484 1.00 15.54 C ATOM 1240 C ALA A 87 10.520 -13.147 -2.253 1.00 34.31 C ATOM 1241 O ALA A 87 9.463 -13.288 -2.856 1.00 21.41 O ATOM 1242 CB ALA A 87 11.243 -10.765 -2.446 1.00 51.04 C ATOM 0 H ALA A 87 12.722 -11.554 -0.694 1.00 30.40 H new ATOM 0 HA ALA A 87 9.897 -11.583 -0.971 1.00 15.54 H new ATOM 0 HB1 ALA A 87 10.471 -10.623 -3.202 1.00 51.04 H new ATOM 0 HB2 ALA A 87 11.387 -9.835 -1.895 1.00 51.04 H new ATOM 0 HB3 ALA A 87 12.178 -11.048 -2.930 1.00 51.04 H new ATOM 1248 N SER A 88 11.456 -14.067 -2.228 1.00 33.10 N ATOM 1249 CA SER A 88 11.322 -15.328 -2.922 1.00 33.12 C ATOM 1250 C SER A 88 10.457 -16.330 -2.134 1.00 21.42 C ATOM 1251 O SER A 88 10.218 -17.462 -2.579 1.00 11.13 O ATOM 1252 CB SER A 88 12.715 -15.880 -3.185 1.00 61.42 C ATOM 1253 OG SER A 88 13.490 -15.868 -1.984 1.00 20.13 O ATOM 0 H SER A 88 12.336 -13.962 -1.723 1.00 33.10 H new ATOM 0 HA SER A 88 10.806 -15.165 -3.868 1.00 33.12 H new ATOM 0 HB2 SER A 88 12.643 -16.898 -3.569 1.00 61.42 H new ATOM 0 HB3 SER A 88 13.211 -15.284 -3.951 1.00 61.42 H new ATOM 0 HG SER A 88 14.383 -16.227 -2.167 1.00 20.13 H new ATOM 1259 N HIS A 89 9.975 -15.900 -0.978 1.00 74.32 N ATOM 1260 CA HIS A 89 9.146 -16.744 -0.127 1.00 1.13 C ATOM 1261 C HIS A 89 7.697 -16.422 -0.411 1.00 25.34 C ATOM 1262 O HIS A 89 7.401 -15.393 -1.029 1.00 53.02 O ATOM 1263 CB HIS A 89 9.383 -16.449 1.368 1.00 32.22 C ATOM 1264 CG HIS A 89 10.795 -16.565 1.877 1.00 41.41 C ATOM 1265 ND1 HIS A 89 11.125 -16.246 3.169 1.00 25.50 N ATOM 1266 CD2 HIS A 89 11.958 -16.918 1.274 1.00 20.20 C ATOM 1267 CE1 HIS A 89 12.419 -16.386 3.349 1.00 63.24 C ATOM 1268 NE2 HIS A 89 12.954 -16.797 2.217 1.00 31.25 N ATOM 0 H HIS A 89 10.144 -14.966 -0.605 1.00 74.32 H new ATOM 0 HA HIS A 89 9.396 -17.784 -0.336 1.00 1.13 H new ATOM 0 HB2 HIS A 89 9.032 -15.437 1.572 1.00 32.22 H new ATOM 0 HB3 HIS A 89 8.758 -17.127 1.949 1.00 32.22 H new ATOM 0 HD2 HIS A 89 12.080 -17.234 0.248 1.00 20.20 H new ATOM 0 HE1 HIS A 89 12.953 -16.196 4.268 1.00 63.24 H new ATOM 0 HE2 HIS A 89 13.943 -16.993 2.064 1.00 31.25 H new ATOM 1277 N LYS A 90 6.801 -17.272 0.013 1.00 14.20 N ATOM 1278 CA LYS A 90 5.401 -16.967 -0.104 1.00 34.31 C ATOM 1279 C LYS A 90 4.894 -16.503 1.242 1.00 50.52 C ATOM 1280 O LYS A 90 5.011 -17.233 2.243 1.00 11.34 O ATOM 1281 CB LYS A 90 4.584 -18.160 -0.571 1.00 63.53 C ATOM 1282 CG LYS A 90 5.004 -18.729 -1.907 1.00 32.11 C ATOM 1283 CD LYS A 90 4.042 -19.806 -2.378 1.00 43.44 C ATOM 1284 CE LYS A 90 3.878 -20.925 -1.356 1.00 44.02 C ATOM 1285 NZ LYS A 90 2.933 -21.954 -1.820 1.00 74.33 N ATOM 0 H LYS A 90 7.013 -18.174 0.439 1.00 14.20 H new ATOM 0 HA LYS A 90 5.287 -16.186 -0.856 1.00 34.31 H new ATOM 0 HB2 LYS A 90 4.652 -18.946 0.181 1.00 63.53 H new ATOM 0 HB3 LYS A 90 3.536 -17.865 -0.630 1.00 63.53 H new ATOM 0 HG2 LYS A 90 5.048 -17.930 -2.647 1.00 32.11 H new ATOM 0 HG3 LYS A 90 6.008 -19.146 -1.827 1.00 32.11 H new ATOM 0 HD2 LYS A 90 3.070 -19.357 -2.581 1.00 43.44 H new ATOM 0 HD3 LYS A 90 4.402 -20.225 -3.318 1.00 43.44 H new ATOM 0 HE2 LYS A 90 4.847 -21.383 -1.160 1.00 44.02 H new ATOM 0 HE3 LYS A 90 3.526 -20.507 -0.413 1.00 44.02 H new ATOM 0 HZ1 LYS A 90 2.848 -22.698 -1.098 1.00 74.33 H new ATOM 0 HZ2 LYS A 90 2.001 -21.522 -1.983 1.00 74.33 H new ATOM 0 HZ3 LYS A 90 3.281 -22.371 -2.707 1.00 74.33 H new ATOM 1299 N PRO A 91 4.366 -15.294 1.305 1.00 60.04 N ATOM 1300 CA PRO A 91 3.843 -14.729 2.537 1.00 12.41 C ATOM 1301 C PRO A 91 2.523 -15.361 2.958 1.00 75.15 C ATOM 1302 O PRO A 91 1.760 -15.861 2.133 1.00 2.33 O ATOM 1303 CB PRO A 91 3.622 -13.263 2.187 1.00 23.14 C ATOM 1304 CG PRO A 91 3.378 -13.260 0.724 1.00 2.10 C ATOM 1305 CD PRO A 91 4.231 -14.359 0.168 1.00 44.13 C ATOM 0 HA PRO A 91 4.523 -14.894 3.373 1.00 12.41 H new ATOM 0 HB2 PRO A 91 2.773 -12.849 2.731 1.00 23.14 H new ATOM 0 HB3 PRO A 91 4.491 -12.658 2.445 1.00 23.14 H new ATOM 0 HG2 PRO A 91 2.325 -13.432 0.502 1.00 2.10 H new ATOM 0 HG3 PRO A 91 3.643 -12.298 0.285 1.00 2.10 H new ATOM 0 HD2 PRO A 91 3.761 -14.837 -0.692 1.00 44.13 H new ATOM 0 HD3 PRO A 91 5.200 -13.987 -0.164 1.00 44.13 H new ATOM 1313 N THR A 92 2.281 -15.355 4.235 1.00 25.53 N ATOM 1314 CA THR A 92 1.077 -15.829 4.786 1.00 22.22 C ATOM 1315 C THR A 92 0.110 -14.664 5.001 1.00 32.14 C ATOM 1316 O THR A 92 0.543 -13.501 5.135 1.00 64.22 O ATOM 1317 CB THR A 92 1.392 -16.508 6.121 1.00 4.52 C ATOM 1318 OG1 THR A 92 2.303 -15.680 6.884 1.00 40.21 O ATOM 1319 CG2 THR A 92 1.988 -17.888 5.912 1.00 71.10 C ATOM 0 H THR A 92 2.943 -15.008 4.929 1.00 25.53 H new ATOM 0 HA THR A 92 0.609 -16.543 4.109 1.00 22.22 H new ATOM 0 HB THR A 92 0.460 -16.629 6.673 1.00 4.52 H new ATOM 0 HG1 THR A 92 2.862 -16.248 7.454 1.00 40.21 H new ATOM 0 HG21 THR A 92 2.200 -18.343 6.879 1.00 71.10 H new ATOM 0 HG22 THR A 92 1.280 -18.511 5.365 1.00 71.10 H new ATOM 0 HG23 THR A 92 2.912 -17.802 5.341 1.00 71.10 H new ATOM 1325 N TYR A 93 -1.181 -14.959 5.046 1.00 74.31 N ATOM 1326 CA TYR A 93 -2.200 -13.940 5.264 1.00 54.32 C ATOM 1327 C TYR A 93 -2.056 -13.374 6.659 1.00 24.24 C ATOM 1328 O TYR A 93 -2.313 -12.207 6.892 1.00 24.01 O ATOM 1329 CB TYR A 93 -3.614 -14.520 5.096 1.00 25.21 C ATOM 1330 CG TYR A 93 -3.923 -15.083 3.722 1.00 1.32 C ATOM 1331 CD1 TYR A 93 -4.418 -14.268 2.718 1.00 71.30 C ATOM 1332 CD2 TYR A 93 -3.729 -16.431 3.436 1.00 74.25 C ATOM 1333 CE1 TYR A 93 -4.711 -14.776 1.470 1.00 5.42 C ATOM 1334 CE2 TYR A 93 -4.022 -16.943 2.189 1.00 43.03 C ATOM 1335 CZ TYR A 93 -4.511 -16.110 1.208 1.00 15.21 C ATOM 1336 OH TYR A 93 -4.814 -16.616 -0.037 1.00 30.35 O ATOM 0 H TYR A 93 -1.551 -15.903 4.934 1.00 74.31 H new ATOM 0 HA TYR A 93 -2.060 -13.154 4.522 1.00 54.32 H new ATOM 0 HB2 TYR A 93 -3.756 -15.309 5.834 1.00 25.21 H new ATOM 0 HB3 TYR A 93 -4.339 -13.738 5.322 1.00 25.21 H new ATOM 0 HD1 TYR A 93 -4.577 -13.218 2.915 1.00 71.30 H new ATOM 0 HD2 TYR A 93 -3.343 -17.087 4.202 1.00 74.25 H new ATOM 0 HE1 TYR A 93 -5.097 -14.126 0.699 1.00 5.42 H new ATOM 0 HE2 TYR A 93 -3.869 -17.992 1.983 1.00 43.03 H new ATOM 0 HH TYR A 93 -4.614 -17.575 -0.058 1.00 30.35 H new ATOM 1346 N GLU A 94 -1.608 -14.226 7.561 1.00 24.10 N ATOM 1347 CA GLU A 94 -1.410 -13.901 8.970 1.00 70.32 C ATOM 1348 C GLU A 94 -0.497 -12.669 9.137 1.00 24.31 C ATOM 1349 O GLU A 94 -0.845 -11.705 9.829 1.00 52.21 O ATOM 1350 CB GLU A 94 -0.791 -15.116 9.665 1.00 42.03 C ATOM 1351 CG GLU A 94 -1.606 -16.392 9.491 1.00 12.20 C ATOM 1352 CD GLU A 94 -0.963 -17.603 10.120 1.00 24.21 C ATOM 1353 OE1 GLU A 94 0.006 -18.138 9.548 1.00 41.21 O ATOM 1354 OE2 GLU A 94 -1.437 -18.066 11.179 1.00 21.41 O ATOM 0 H GLU A 94 -1.364 -15.190 7.333 1.00 24.10 H new ATOM 0 HA GLU A 94 -2.372 -13.657 9.421 1.00 70.32 H new ATOM 0 HB2 GLU A 94 0.213 -15.278 9.272 1.00 42.03 H new ATOM 0 HB3 GLU A 94 -0.686 -14.903 10.729 1.00 42.03 H new ATOM 0 HG2 GLU A 94 -2.594 -16.246 9.928 1.00 12.20 H new ATOM 0 HG3 GLU A 94 -1.752 -16.579 8.427 1.00 12.20 H new ATOM 1361 N ASN A 95 0.651 -12.692 8.468 1.00 41.45 N ATOM 1362 CA ASN A 95 1.608 -11.578 8.547 1.00 14.23 C ATOM 1363 C ASN A 95 1.141 -10.394 7.750 1.00 61.35 C ATOM 1364 O ASN A 95 1.371 -9.248 8.140 1.00 35.32 O ATOM 1365 CB ASN A 95 3.024 -11.999 8.114 1.00 12.43 C ATOM 1366 CG ASN A 95 3.692 -12.895 9.128 1.00 61.31 C ATOM 1367 OD1 ASN A 95 4.410 -12.427 10.017 1.00 10.41 O ATOM 1368 ND2 ASN A 95 3.471 -14.180 9.015 1.00 33.42 N ATOM 0 H ASN A 95 0.946 -13.461 7.867 1.00 41.45 H new ATOM 0 HA ASN A 95 1.659 -11.284 9.595 1.00 14.23 H new ATOM 0 HB2 ASN A 95 2.970 -12.516 7.156 1.00 12.43 H new ATOM 0 HB3 ASN A 95 3.634 -11.109 7.962 1.00 12.43 H new ATOM 0 HD21 ASN A 95 3.898 -14.831 9.674 1.00 33.42 H new ATOM 0 HD22 ASN A 95 2.872 -14.531 8.268 1.00 33.42 H new ATOM 1374 N LEU A 96 0.464 -10.665 6.651 1.00 53.32 N ATOM 1375 CA LEU A 96 -0.055 -9.612 5.807 1.00 54.42 C ATOM 1376 C LEU A 96 -1.104 -8.810 6.575 1.00 13.34 C ATOM 1377 O LEU A 96 -1.072 -7.586 6.580 1.00 12.22 O ATOM 1378 CB LEU A 96 -0.662 -10.205 4.526 1.00 64.20 C ATOM 1379 CG LEU A 96 -1.196 -9.204 3.496 1.00 53.00 C ATOM 1380 CD1 LEU A 96 -0.078 -8.314 2.977 1.00 1.53 C ATOM 1381 CD2 LEU A 96 -1.878 -9.928 2.350 1.00 62.42 C ATOM 0 H LEU A 96 0.261 -11.609 6.323 1.00 53.32 H new ATOM 0 HA LEU A 96 0.760 -8.947 5.522 1.00 54.42 H new ATOM 0 HB2 LEU A 96 0.096 -10.821 4.042 1.00 64.20 H new ATOM 0 HB3 LEU A 96 -1.478 -10.869 4.811 1.00 64.20 H new ATOM 0 HG LEU A 96 -1.933 -8.571 3.989 1.00 53.00 H new ATOM 0 HD11 LEU A 96 -0.481 -7.612 2.247 1.00 1.53 H new ATOM 0 HD12 LEU A 96 0.363 -7.762 3.807 1.00 1.53 H new ATOM 0 HD13 LEU A 96 0.687 -8.930 2.504 1.00 1.53 H new ATOM 0 HD21 LEU A 96 -2.250 -9.200 1.630 1.00 62.42 H new ATOM 0 HD22 LEU A 96 -1.163 -10.590 1.861 1.00 62.42 H new ATOM 0 HD23 LEU A 96 -2.711 -10.516 2.735 1.00 62.42 H new ATOM 1389 N GLN A 97 -1.996 -9.528 7.253 1.00 12.14 N ATOM 1390 CA GLN A 97 -3.074 -8.949 8.042 1.00 72.43 C ATOM 1391 C GLN A 97 -2.525 -7.966 9.063 1.00 64.52 C ATOM 1392 O GLN A 97 -2.957 -6.821 9.114 1.00 55.23 O ATOM 1393 CB GLN A 97 -3.832 -10.060 8.756 1.00 50.44 C ATOM 1394 CG GLN A 97 -5.045 -9.608 9.546 1.00 11.11 C ATOM 1395 CD GLN A 97 -5.718 -10.770 10.244 1.00 51.22 C ATOM 1396 OE1 GLN A 97 -5.062 -11.744 10.614 1.00 22.32 O ATOM 1397 NE2 GLN A 97 -7.012 -10.694 10.414 1.00 62.40 N ATOM 0 H GLN A 97 -1.987 -10.548 7.268 1.00 12.14 H new ATOM 0 HA GLN A 97 -3.748 -8.413 7.374 1.00 72.43 H new ATOM 0 HB2 GLN A 97 -4.153 -10.793 8.016 1.00 50.44 H new ATOM 0 HB3 GLN A 97 -3.146 -10.569 9.433 1.00 50.44 H new ATOM 0 HG2 GLN A 97 -4.743 -8.865 10.284 1.00 11.11 H new ATOM 0 HG3 GLN A 97 -5.756 -9.123 8.877 1.00 11.11 H new ATOM 0 HE21 GLN A 97 -7.521 -9.870 10.094 1.00 62.40 H new ATOM 0 HE22 GLN A 97 -7.513 -11.459 10.867 1.00 62.40 H new ATOM 1405 N LYS A 98 -1.545 -8.415 9.843 1.00 62.41 N ATOM 1406 CA LYS A 98 -0.934 -7.583 10.869 1.00 13.15 C ATOM 1407 C LYS A 98 -0.325 -6.322 10.294 1.00 51.21 C ATOM 1408 O LYS A 98 -0.390 -5.248 10.900 1.00 32.41 O ATOM 1409 CB LYS A 98 0.119 -8.354 11.624 1.00 15.02 C ATOM 1410 CG LYS A 98 -0.446 -9.496 12.429 1.00 64.44 C ATOM 1411 CD LYS A 98 0.637 -10.238 13.162 1.00 73.35 C ATOM 1412 CE LYS A 98 1.371 -9.354 14.170 1.00 30.41 C ATOM 1413 NZ LYS A 98 2.412 -10.096 14.909 1.00 55.50 N ATOM 0 H LYS A 98 -1.157 -9.356 9.781 1.00 62.41 H new ATOM 0 HA LYS A 98 -1.731 -7.290 11.553 1.00 13.15 H new ATOM 0 HB2 LYS A 98 0.852 -8.743 10.917 1.00 15.02 H new ATOM 0 HB3 LYS A 98 0.649 -7.675 12.291 1.00 15.02 H new ATOM 0 HG2 LYS A 98 -1.175 -9.114 13.143 1.00 64.44 H new ATOM 0 HG3 LYS A 98 -0.976 -10.182 11.768 1.00 64.44 H new ATOM 0 HD2 LYS A 98 0.201 -11.091 13.681 1.00 73.35 H new ATOM 0 HD3 LYS A 98 1.353 -10.635 12.442 1.00 73.35 H new ATOM 0 HE2 LYS A 98 1.828 -8.513 13.648 1.00 30.41 H new ATOM 0 HE3 LYS A 98 0.653 -8.938 14.877 1.00 30.41 H new ATOM 0 HZ1 LYS A 98 2.883 -9.457 15.581 1.00 55.50 H new ATOM 0 HZ2 LYS A 98 1.974 -10.883 15.429 1.00 55.50 H new ATOM 0 HZ3 LYS A 98 3.113 -10.471 14.239 1.00 55.50 H new ATOM 1427 N SER A 99 0.241 -6.444 9.121 1.00 24.01 N ATOM 1428 CA SER A 99 0.882 -5.334 8.485 1.00 63.05 C ATOM 1429 C SER A 99 -0.189 -4.356 7.914 1.00 71.30 C ATOM 1430 O SER A 99 -0.012 -3.127 7.946 1.00 44.12 O ATOM 1431 CB SER A 99 1.852 -5.848 7.410 1.00 71.14 C ATOM 1432 OG SER A 99 2.679 -4.818 6.926 1.00 64.31 O ATOM 0 H SER A 99 0.268 -7.312 8.587 1.00 24.01 H new ATOM 0 HA SER A 99 1.470 -4.771 9.210 1.00 63.05 H new ATOM 0 HB2 SER A 99 2.468 -6.645 7.826 1.00 71.14 H new ATOM 0 HB3 SER A 99 1.286 -6.280 6.584 1.00 71.14 H new ATOM 0 HG SER A 99 3.540 -4.843 7.393 1.00 64.31 H new ATOM 1438 N LEU A 100 -1.315 -4.914 7.434 1.00 74.10 N ATOM 1439 CA LEU A 100 -2.447 -4.108 6.938 1.00 45.22 C ATOM 1440 C LEU A 100 -2.980 -3.241 8.063 1.00 74.33 C ATOM 1441 O LEU A 100 -3.320 -2.060 7.872 1.00 43.44 O ATOM 1442 CB LEU A 100 -3.592 -5.012 6.437 1.00 42.33 C ATOM 1443 CG LEU A 100 -3.289 -5.956 5.272 1.00 44.02 C ATOM 1444 CD1 LEU A 100 -4.494 -6.835 4.984 1.00 61.24 C ATOM 1445 CD2 LEU A 100 -2.904 -5.175 4.030 1.00 53.11 C ATOM 0 H LEU A 100 -1.466 -5.921 7.379 1.00 74.10 H new ATOM 0 HA LEU A 100 -2.089 -3.493 6.112 1.00 45.22 H new ATOM 0 HB2 LEU A 100 -3.937 -5.615 7.277 1.00 42.33 H new ATOM 0 HB3 LEU A 100 -4.423 -4.371 6.143 1.00 42.33 H new ATOM 0 HG LEU A 100 -2.447 -6.588 5.554 1.00 44.02 H new ATOM 0 HD11 LEU A 100 -4.267 -7.503 4.153 1.00 61.24 H new ATOM 0 HD12 LEU A 100 -4.734 -7.425 5.869 1.00 61.24 H new ATOM 0 HD13 LEU A 100 -5.347 -6.209 4.723 1.00 61.24 H new ATOM 0 HD21 LEU A 100 -2.693 -5.868 3.215 1.00 53.11 H new ATOM 0 HD22 LEU A 100 -3.725 -4.518 3.744 1.00 53.11 H new ATOM 0 HD23 LEU A 100 -2.016 -4.577 4.237 1.00 53.11 H new ATOM 1453 N GLU A 101 -3.020 -3.836 9.241 1.00 11.04 N ATOM 1454 CA GLU A 101 -3.516 -3.178 10.450 1.00 50.22 C ATOM 1455 C GLU A 101 -2.635 -2.016 10.818 1.00 25.41 C ATOM 1456 O GLU A 101 -3.115 -0.971 11.276 1.00 14.23 O ATOM 1457 CB GLU A 101 -3.552 -4.147 11.617 1.00 12.45 C ATOM 1458 CG GLU A 101 -4.439 -5.347 11.415 1.00 12.25 C ATOM 1459 CD GLU A 101 -4.445 -6.229 12.621 1.00 52.41 C ATOM 1460 OE1 GLU A 101 -3.533 -7.059 12.776 1.00 13.31 O ATOM 1461 OE2 GLU A 101 -5.354 -6.081 13.461 1.00 52.23 O ATOM 0 H GLU A 101 -2.709 -4.795 9.394 1.00 11.04 H new ATOM 0 HA GLU A 101 -4.525 -2.824 10.240 1.00 50.22 H new ATOM 0 HB2 GLU A 101 -2.537 -4.492 11.816 1.00 12.45 H new ATOM 0 HB3 GLU A 101 -3.886 -3.611 12.506 1.00 12.45 H new ATOM 0 HG2 GLU A 101 -5.455 -5.018 11.198 1.00 12.25 H new ATOM 0 HG3 GLU A 101 -4.096 -5.914 10.549 1.00 12.25 H new ATOM 1468 N ALA A 102 -1.352 -2.193 10.604 1.00 3.31 N ATOM 1469 CA ALA A 102 -0.380 -1.184 10.908 1.00 54.10 C ATOM 1470 C ALA A 102 -0.608 0.054 10.045 1.00 75.52 C ATOM 1471 O ALA A 102 -0.499 1.191 10.524 1.00 21.33 O ATOM 1472 CB ALA A 102 1.016 -1.737 10.729 1.00 52.23 C ATOM 0 H ALA A 102 -0.957 -3.048 10.212 1.00 3.31 H new ATOM 0 HA ALA A 102 -0.491 -0.884 11.950 1.00 54.10 H new ATOM 0 HB1 ALA A 102 1.747 -0.963 10.962 1.00 52.23 H new ATOM 0 HB2 ALA A 102 1.160 -2.585 11.398 1.00 52.23 H new ATOM 0 HB3 ALA A 102 1.149 -2.062 9.697 1.00 52.23 H new ATOM 1478 N MET A 103 -0.963 -0.167 8.778 1.00 1.41 N ATOM 1479 CA MET A 103 -1.278 0.942 7.889 1.00 74.45 C ATOM 1480 C MET A 103 -2.529 1.635 8.362 1.00 1.43 C ATOM 1481 O MET A 103 -2.575 2.853 8.434 1.00 30.24 O ATOM 1482 CB MET A 103 -1.498 0.509 6.434 1.00 55.53 C ATOM 1483 CG MET A 103 -0.318 -0.138 5.759 1.00 74.01 C ATOM 1484 SD MET A 103 -0.598 -0.383 3.986 1.00 72.30 S ATOM 1485 CE MET A 103 -2.060 -1.418 3.979 1.00 23.54 C ATOM 0 H MET A 103 -1.038 -1.091 8.353 1.00 1.41 H new ATOM 0 HA MET A 103 -0.415 1.607 7.916 1.00 74.45 H new ATOM 0 HB2 MET A 103 -2.336 -0.187 6.404 1.00 55.53 H new ATOM 0 HB3 MET A 103 -1.790 1.385 5.854 1.00 55.53 H new ATOM 0 HG2 MET A 103 0.567 0.482 5.904 1.00 74.01 H new ATOM 0 HG3 MET A 103 -0.114 -1.100 6.230 1.00 74.01 H new ATOM 0 HE1 MET A 103 -1.905 -2.262 3.307 1.00 23.54 H new ATOM 0 HE2 MET A 103 -2.249 -1.787 4.987 1.00 23.54 H new ATOM 0 HE3 MET A 103 -2.916 -0.836 3.639 1.00 23.54 H new ATOM 1495 N LYS A 104 -3.530 0.836 8.697 1.00 72.32 N ATOM 1496 CA LYS A 104 -4.840 1.309 9.135 1.00 43.15 C ATOM 1497 C LYS A 104 -4.674 2.240 10.339 1.00 51.21 C ATOM 1498 O LYS A 104 -5.112 3.404 10.312 1.00 31.44 O ATOM 1499 CB LYS A 104 -5.691 0.073 9.514 1.00 34.53 C ATOM 1500 CG LYS A 104 -7.206 0.242 9.361 1.00 34.22 C ATOM 1501 CD LYS A 104 -7.771 1.339 10.189 1.00 4.51 C ATOM 1502 CE LYS A 104 -7.732 1.031 11.665 1.00 53.31 C ATOM 1503 NZ LYS A 104 -8.694 -0.030 12.070 1.00 74.41 N ATOM 0 H LYS A 104 -3.456 -0.181 8.672 1.00 72.32 H new ATOM 0 HA LYS A 104 -5.335 1.868 8.341 1.00 43.15 H new ATOM 0 HB2 LYS A 104 -5.373 -0.768 8.898 1.00 34.53 H new ATOM 0 HB3 LYS A 104 -5.475 -0.191 10.549 1.00 34.53 H new ATOM 0 HG2 LYS A 104 -7.437 0.433 8.313 1.00 34.22 H new ATOM 0 HG3 LYS A 104 -7.696 -0.694 9.630 1.00 34.22 H new ATOM 0 HD2 LYS A 104 -7.215 2.257 9.998 1.00 4.51 H new ATOM 0 HD3 LYS A 104 -8.802 1.523 9.887 1.00 4.51 H new ATOM 0 HE2 LYS A 104 -6.723 0.721 11.938 1.00 53.31 H new ATOM 0 HE3 LYS A 104 -7.948 1.941 12.225 1.00 53.31 H new ATOM 0 HZ1 LYS A 104 -9.477 0.397 12.604 1.00 74.41 H new ATOM 0 HZ2 LYS A 104 -9.069 -0.500 11.222 1.00 74.41 H new ATOM 0 HZ3 LYS A 104 -8.208 -0.729 12.667 1.00 74.41 H new ATOM 1517 N SER A 105 -4.027 1.725 11.364 1.00 23.45 N ATOM 1518 CA SER A 105 -3.776 2.458 12.593 1.00 54.05 C ATOM 1519 C SER A 105 -2.995 3.764 12.317 1.00 71.14 C ATOM 1520 O SER A 105 -3.318 4.825 12.870 1.00 34.23 O ATOM 1521 CB SER A 105 -3.008 1.562 13.578 1.00 72.03 C ATOM 1522 OG SER A 105 -2.864 2.184 14.842 1.00 42.43 O ATOM 0 H SER A 105 -3.655 0.775 11.370 1.00 23.45 H new ATOM 0 HA SER A 105 -4.733 2.737 13.034 1.00 54.05 H new ATOM 0 HB2 SER A 105 -3.534 0.615 13.695 1.00 72.03 H new ATOM 0 HB3 SER A 105 -2.024 1.332 13.170 1.00 72.03 H new ATOM 0 HG SER A 105 -2.373 1.588 15.446 1.00 42.43 H new ATOM 1528 N HIS A 106 -1.993 3.686 11.449 1.00 22.34 N ATOM 1529 CA HIS A 106 -1.190 4.850 11.103 1.00 20.05 C ATOM 1530 C HIS A 106 -2.007 5.892 10.322 1.00 42.21 C ATOM 1531 O HIS A 106 -1.939 7.095 10.614 1.00 21.44 O ATOM 1532 CB HIS A 106 0.053 4.436 10.283 1.00 45.40 C ATOM 1533 CG HIS A 106 0.891 5.598 9.823 1.00 32.15 C ATOM 1534 ND1 HIS A 106 0.757 6.172 8.573 1.00 2.44 N ATOM 1535 CD2 HIS A 106 1.848 6.316 10.453 1.00 70.44 C ATOM 1536 CE1 HIS A 106 1.575 7.176 8.459 1.00 41.22 C ATOM 1537 NE2 HIS A 106 2.255 7.289 9.579 1.00 63.31 N ATOM 0 H HIS A 106 -1.718 2.827 10.972 1.00 22.34 H new ATOM 0 HA HIS A 106 -0.864 5.305 12.038 1.00 20.05 H new ATOM 0 HB2 HIS A 106 0.670 3.771 10.887 1.00 45.40 H new ATOM 0 HB3 HIS A 106 -0.271 3.866 9.412 1.00 45.40 H new ATOM 0 HD1 HIS A 106 0.113 5.855 7.848 1.00 2.44 H new ATOM 0 HD2 HIS A 106 2.220 6.153 11.454 1.00 70.44 H new ATOM 0 HE1 HIS A 106 1.679 7.810 7.591 1.00 41.22 H new ATOM 1546 N CYS A 107 -2.762 5.428 9.342 1.00 41.41 N ATOM 1547 CA CYS A 107 -3.519 6.307 8.466 1.00 4.33 C ATOM 1548 C CYS A 107 -4.522 7.161 9.217 1.00 21.23 C ATOM 1549 O CYS A 107 -4.514 8.381 9.069 1.00 33.04 O ATOM 1550 CB CYS A 107 -4.191 5.529 7.343 1.00 71.54 C ATOM 1551 SG CYS A 107 -3.049 4.686 6.236 1.00 71.31 S ATOM 0 H CYS A 107 -2.868 4.436 9.131 1.00 41.41 H new ATOM 0 HA CYS A 107 -2.798 6.992 8.020 1.00 4.33 H new ATOM 0 HB2 CYS A 107 -4.865 4.792 7.780 1.00 71.54 H new ATOM 0 HB3 CYS A 107 -4.805 6.215 6.759 1.00 71.54 H new ATOM 0 HG CYS A 107 -2.568 3.633 6.828 1.00 71.31 H new ATOM 1557 N LEU A 108 -5.349 6.545 10.060 1.00 41.24 N ATOM 1558 CA LEU A 108 -6.362 7.303 10.788 1.00 21.54 C ATOM 1559 C LEU A 108 -5.755 8.311 11.762 1.00 20.45 C ATOM 1560 O LEU A 108 -6.345 9.352 12.044 1.00 31.04 O ATOM 1561 CB LEU A 108 -7.446 6.387 11.430 1.00 32.35 C ATOM 1562 CG LEU A 108 -7.010 5.320 12.448 1.00 73.33 C ATOM 1563 CD1 LEU A 108 -6.461 5.955 13.693 1.00 0.04 C ATOM 1564 CD2 LEU A 108 -8.180 4.443 12.793 1.00 32.41 C ATOM 0 H LEU A 108 -5.339 5.543 10.253 1.00 41.24 H new ATOM 0 HA LEU A 108 -6.892 7.903 10.049 1.00 21.54 H new ATOM 0 HB2 LEU A 108 -8.174 7.033 11.921 1.00 32.35 H new ATOM 0 HB3 LEU A 108 -7.967 5.876 10.620 1.00 32.35 H new ATOM 0 HG LEU A 108 -6.221 4.717 11.999 1.00 73.33 H new ATOM 0 HD11 LEU A 108 -6.160 5.178 14.396 1.00 0.04 H new ATOM 0 HD12 LEU A 108 -5.596 6.568 13.438 1.00 0.04 H new ATOM 0 HD13 LEU A 108 -7.227 6.581 14.150 1.00 0.04 H new ATOM 0 HD21 LEU A 108 -7.868 3.688 13.515 1.00 32.41 H new ATOM 0 HD22 LEU A 108 -8.975 5.051 13.224 1.00 32.41 H new ATOM 0 HD23 LEU A 108 -8.546 3.953 11.891 1.00 32.41 H new ATOM 1572 N LYS A 109 -4.567 8.009 12.239 1.00 74.33 N ATOM 1573 CA LYS A 109 -3.881 8.860 13.183 1.00 35.30 C ATOM 1574 C LYS A 109 -3.319 10.092 12.474 1.00 52.41 C ATOM 1575 O LYS A 109 -3.406 11.206 12.976 1.00 64.15 O ATOM 1576 CB LYS A 109 -2.763 8.071 13.868 1.00 12.34 C ATOM 1577 CG LYS A 109 -2.018 8.833 14.947 1.00 21.15 C ATOM 1578 CD LYS A 109 -0.921 7.979 15.551 1.00 42.33 C ATOM 1579 CE LYS A 109 -0.164 8.715 16.649 1.00 20.33 C ATOM 1580 NZ LYS A 109 0.479 9.962 16.162 1.00 12.23 N ATOM 0 H LYS A 109 -4.051 7.167 11.983 1.00 74.33 H new ATOM 0 HA LYS A 109 -4.587 9.198 13.942 1.00 35.30 H new ATOM 0 HB2 LYS A 109 -3.190 7.170 14.308 1.00 12.34 H new ATOM 0 HB3 LYS A 109 -2.048 7.748 13.111 1.00 12.34 H new ATOM 0 HG2 LYS A 109 -1.587 9.741 14.525 1.00 21.15 H new ATOM 0 HG3 LYS A 109 -2.714 9.143 15.726 1.00 21.15 H new ATOM 0 HD2 LYS A 109 -1.355 7.066 15.959 1.00 42.33 H new ATOM 0 HD3 LYS A 109 -0.224 7.678 14.769 1.00 42.33 H new ATOM 0 HE2 LYS A 109 -0.851 8.958 17.459 1.00 20.33 H new ATOM 0 HE3 LYS A 109 0.598 8.056 17.064 1.00 20.33 H new ATOM 0 HZ1 LYS A 109 1.116 10.334 16.895 1.00 12.23 H new ATOM 0 HZ2 LYS A 109 1.025 9.758 15.301 1.00 12.23 H new ATOM 0 HZ3 LYS A 109 -0.253 10.669 15.948 1.00 12.23 H new ATOM 1594 N ASN A 110 -2.764 9.880 11.289 1.00 11.24 N ATOM 1595 CA ASN A 110 -2.153 10.975 10.509 1.00 65.55 C ATOM 1596 C ASN A 110 -3.171 11.728 9.685 1.00 44.03 C ATOM 1597 O ASN A 110 -2.892 12.827 9.209 1.00 32.32 O ATOM 1598 CB ASN A 110 -1.035 10.463 9.580 1.00 14.23 C ATOM 1599 CG ASN A 110 0.247 10.055 10.290 1.00 55.13 C ATOM 1600 OD1 ASN A 110 0.151 9.642 11.519 1.00 40.11 O flip ATOM 1601 ND2 ASN A 110 1.321 10.123 9.715 1.00 72.34 N flip ATOM 0 H ASN A 110 -2.718 8.966 10.838 1.00 11.24 H new ATOM 0 HA ASN A 110 -1.724 11.657 11.244 1.00 65.55 H new ATOM 0 HB2 ASN A 110 -1.411 9.607 9.019 1.00 14.23 H new ATOM 0 HB3 ASN A 110 -0.800 11.242 8.854 1.00 14.23 H new ATOM 0 HD21 ASN A 110 1.363 10.451 8.750 1.00 72.34 H new ATOM 0 HD22 ASN A 110 2.177 9.852 10.199 1.00 72.34 H new ATOM 1607 N GLY A 111 -4.337 11.149 9.518 1.00 25.54 N ATOM 1608 CA GLY A 111 -5.355 11.776 8.716 1.00 25.34 C ATOM 1609 C GLY A 111 -5.210 11.395 7.259 1.00 13.34 C ATOM 1610 O GLY A 111 -5.570 12.153 6.365 1.00 21.11 O ATOM 0 H GLY A 111 -4.601 10.251 9.924 1.00 25.54 H new ATOM 0 HA2 GLY A 111 -6.340 11.480 9.076 1.00 25.34 H new ATOM 0 HA3 GLY A 111 -5.289 12.859 8.820 1.00 25.34 H new ATOM 1614 N VAL A 112 -4.662 10.223 7.029 1.00 74.41 N ATOM 1615 CA VAL A 112 -4.478 9.704 5.695 1.00 72.23 C ATOM 1616 C VAL A 112 -5.699 8.869 5.339 1.00 24.11 C ATOM 1617 O VAL A 112 -5.903 7.788 5.880 1.00 41.13 O ATOM 1618 CB VAL A 112 -3.162 8.865 5.569 1.00 65.23 C ATOM 1619 CG1 VAL A 112 -3.011 8.285 4.167 1.00 74.21 C ATOM 1620 CG2 VAL A 112 -1.965 9.743 5.890 1.00 35.24 C ATOM 0 H VAL A 112 -4.330 9.601 7.766 1.00 74.41 H new ATOM 0 HA VAL A 112 -4.375 10.534 4.996 1.00 72.23 H new ATOM 0 HB VAL A 112 -3.215 8.038 6.277 1.00 65.23 H new ATOM 0 HG11 VAL A 112 -2.088 7.708 4.110 1.00 74.21 H new ATOM 0 HG12 VAL A 112 -3.859 7.636 3.948 1.00 74.21 H new ATOM 0 HG13 VAL A 112 -2.977 9.096 3.439 1.00 74.21 H new ATOM 0 HG21 VAL A 112 -1.050 9.157 5.802 1.00 35.24 H new ATOM 0 HG22 VAL A 112 -1.929 10.579 5.192 1.00 35.24 H new ATOM 0 HG23 VAL A 112 -2.055 10.124 6.907 1.00 35.24 H new ATOM 1626 N THR A 113 -6.519 9.395 4.466 1.00 13.05 N ATOM 1627 CA THR A 113 -7.768 8.761 4.112 1.00 1.11 C ATOM 1628 C THR A 113 -7.863 8.479 2.620 1.00 62.14 C ATOM 1629 O THR A 113 -8.924 8.115 2.112 1.00 71.20 O ATOM 1630 CB THR A 113 -8.956 9.636 4.558 1.00 21.22 C ATOM 1631 OG1 THR A 113 -8.784 10.982 4.065 1.00 24.45 O ATOM 1632 CG2 THR A 113 -9.076 9.655 6.073 1.00 44.24 C ATOM 0 H THR A 113 -6.342 10.274 3.979 1.00 13.05 H new ATOM 0 HA THR A 113 -7.805 7.804 4.632 1.00 1.11 H new ATOM 0 HB THR A 113 -9.871 9.211 4.145 1.00 21.22 H new ATOM 0 HG1 THR A 113 -9.542 11.534 4.349 1.00 24.45 H new ATOM 0 HG21 THR A 113 -9.921 10.279 6.363 1.00 44.24 H new ATOM 0 HG22 THR A 113 -9.232 8.640 6.438 1.00 44.24 H new ATOM 0 HG23 THR A 113 -8.161 10.060 6.505 1.00 44.24 H new ATOM 1638 N ASP A 114 -6.767 8.633 1.938 1.00 32.21 N ATOM 1639 CA ASP A 114 -6.705 8.398 0.505 1.00 75.43 C ATOM 1640 C ASP A 114 -5.428 7.604 0.245 1.00 62.25 C ATOM 1641 O ASP A 114 -4.326 8.129 0.398 1.00 60.43 O ATOM 1642 CB ASP A 114 -6.715 9.774 -0.219 1.00 53.34 C ATOM 1643 CG ASP A 114 -6.847 9.716 -1.732 1.00 33.55 C ATOM 1644 OD1 ASP A 114 -7.707 8.946 -2.244 1.00 33.23 O ATOM 1645 OD2 ASP A 114 -6.133 10.479 -2.430 1.00 54.30 O ATOM 0 H ASP A 114 -5.881 8.926 2.351 1.00 32.21 H new ATOM 0 HA ASP A 114 -7.555 7.830 0.127 1.00 75.43 H new ATOM 0 HB2 ASP A 114 -7.539 10.368 0.178 1.00 53.34 H new ATOM 0 HB3 ASP A 114 -5.794 10.302 0.028 1.00 53.34 H new ATOM 1650 N LEU A 115 -5.573 6.319 -0.059 1.00 41.35 N ATOM 1651 CA LEU A 115 -4.425 5.423 -0.167 1.00 23.53 C ATOM 1652 C LEU A 115 -4.561 4.554 -1.423 1.00 33.34 C ATOM 1653 O LEU A 115 -5.620 3.955 -1.671 1.00 70.23 O ATOM 1654 CB LEU A 115 -4.374 4.540 1.126 1.00 52.43 C ATOM 1655 CG LEU A 115 -3.083 3.743 1.447 1.00 55.11 C ATOM 1656 CD1 LEU A 115 -3.195 3.122 2.829 1.00 14.54 C ATOM 1657 CD2 LEU A 115 -2.837 2.647 0.439 1.00 4.40 C ATOM 0 H LEU A 115 -6.473 5.873 -0.235 1.00 41.35 H new ATOM 0 HA LEU A 115 -3.499 5.991 -0.255 1.00 23.53 H new ATOM 0 HB2 LEU A 115 -4.578 5.191 1.976 1.00 52.43 H new ATOM 0 HB3 LEU A 115 -5.195 3.825 1.068 1.00 52.43 H new ATOM 0 HG LEU A 115 -2.247 4.441 1.408 1.00 55.11 H new ATOM 0 HD11 LEU A 115 -2.286 2.563 3.051 1.00 14.54 H new ATOM 0 HD12 LEU A 115 -3.328 3.909 3.572 1.00 14.54 H new ATOM 0 HD13 LEU A 115 -4.052 2.448 2.857 1.00 14.54 H new ATOM 0 HD21 LEU A 115 -1.924 2.112 0.699 1.00 4.40 H new ATOM 0 HD22 LEU A 115 -3.678 1.953 0.443 1.00 4.40 H new ATOM 0 HD23 LEU A 115 -2.732 3.083 -0.554 1.00 4.40 H new ATOM 1665 N SER A 116 -3.505 4.470 -2.193 1.00 70.53 N ATOM 1666 CA SER A 116 -3.507 3.683 -3.373 1.00 72.33 C ATOM 1667 C SER A 116 -2.512 2.544 -3.257 1.00 61.12 C ATOM 1668 O SER A 116 -1.381 2.708 -2.778 1.00 41.23 O ATOM 1669 CB SER A 116 -3.214 4.530 -4.603 1.00 14.45 C ATOM 1670 OG SER A 116 -3.383 3.778 -5.783 1.00 3.10 O ATOM 0 H SER A 116 -2.625 4.951 -2.008 1.00 70.53 H new ATOM 0 HA SER A 116 -4.505 3.260 -3.491 1.00 72.33 H new ATOM 0 HB2 SER A 116 -3.877 5.395 -4.620 1.00 14.45 H new ATOM 0 HB3 SER A 116 -2.194 4.911 -4.553 1.00 14.45 H new ATOM 0 HG SER A 116 -3.766 4.348 -6.482 1.00 3.10 H new ATOM 1676 N MET A 117 -2.940 1.406 -3.682 1.00 40.22 N ATOM 1677 CA MET A 117 -2.147 0.225 -3.671 1.00 61.14 C ATOM 1678 C MET A 117 -2.486 -0.545 -4.922 1.00 64.23 C ATOM 1679 O MET A 117 -3.559 -0.355 -5.480 1.00 21.52 O ATOM 1680 CB MET A 117 -2.455 -0.618 -2.406 1.00 2.15 C ATOM 1681 CG MET A 117 -3.900 -1.100 -2.303 1.00 61.44 C ATOM 1682 SD MET A 117 -4.250 -2.006 -0.774 1.00 4.11 S ATOM 1683 CE MET A 117 -3.970 -0.737 0.469 1.00 71.43 C ATOM 0 H MET A 117 -3.878 1.267 -4.058 1.00 40.22 H new ATOM 0 HA MET A 117 -1.085 0.468 -3.647 1.00 61.14 H new ATOM 0 HB2 MET A 117 -1.794 -1.485 -2.393 1.00 2.15 H new ATOM 0 HB3 MET A 117 -2.220 -0.024 -1.523 1.00 2.15 H new ATOM 0 HG2 MET A 117 -4.567 -0.241 -2.368 1.00 61.44 H new ATOM 0 HG3 MET A 117 -4.123 -1.742 -3.156 1.00 61.44 H new ATOM 0 HE1 MET A 117 -4.333 -1.088 1.435 1.00 71.43 H new ATOM 0 HE2 MET A 117 -2.903 -0.524 0.538 1.00 71.43 H new ATOM 0 HE3 MET A 117 -4.504 0.171 0.189 1.00 71.43 H new ATOM 1693 N PRO A 118 -1.599 -1.375 -5.422 1.00 42.14 N ATOM 1694 CA PRO A 118 -1.908 -2.203 -6.562 1.00 12.05 C ATOM 1695 C PRO A 118 -2.641 -3.438 -6.077 1.00 55.30 C ATOM 1696 O PRO A 118 -2.998 -3.528 -4.895 1.00 24.31 O ATOM 1697 CB PRO A 118 -0.529 -2.567 -7.101 1.00 40.10 C ATOM 1698 CG PRO A 118 0.338 -2.609 -5.888 1.00 70.14 C ATOM 1699 CD PRO A 118 -0.225 -1.587 -4.932 1.00 24.23 C ATOM 0 HA PRO A 118 -2.538 -1.727 -7.313 1.00 12.05 H new ATOM 0 HB2 PRO A 118 -0.543 -3.529 -7.614 1.00 40.10 H new ATOM 0 HB3 PRO A 118 -0.174 -1.828 -7.819 1.00 40.10 H new ATOM 0 HG2 PRO A 118 0.334 -3.603 -5.441 1.00 70.14 H new ATOM 0 HG3 PRO A 118 1.373 -2.377 -6.141 1.00 70.14 H new ATOM 0 HD2 PRO A 118 -0.217 -1.952 -3.905 1.00 24.23 H new ATOM 0 HD3 PRO A 118 0.353 -0.663 -4.947 1.00 24.23 H new ATOM 1707 N ARG A 119 -2.871 -4.382 -6.942 1.00 60.15 N ATOM 1708 CA ARG A 119 -3.518 -5.581 -6.496 1.00 51.24 C ATOM 1709 C ARG A 119 -2.530 -6.467 -5.751 1.00 74.45 C ATOM 1710 O ARG A 119 -1.811 -7.270 -6.351 1.00 44.12 O ATOM 1711 CB ARG A 119 -4.185 -6.352 -7.632 1.00 52.14 C ATOM 1712 CG ARG A 119 -5.276 -5.594 -8.364 1.00 62.43 C ATOM 1713 CD ARG A 119 -5.920 -6.474 -9.423 1.00 41.51 C ATOM 1714 NE ARG A 119 -6.646 -7.616 -8.843 1.00 1.11 N ATOM 1715 CZ ARG A 119 -6.451 -8.912 -9.171 1.00 74.35 C ATOM 1716 NH1 ARG A 119 -5.531 -9.253 -10.071 1.00 42.55 N ATOM 1717 NH2 ARG A 119 -7.190 -9.852 -8.608 1.00 0.41 N ATOM 0 H ARG A 119 -2.629 -4.350 -7.932 1.00 60.15 H new ATOM 0 HA ARG A 119 -4.315 -5.280 -5.816 1.00 51.24 H new ATOM 0 HB2 ARG A 119 -3.420 -6.644 -8.352 1.00 52.14 H new ATOM 0 HB3 ARG A 119 -4.610 -7.271 -7.228 1.00 52.14 H new ATOM 0 HG2 ARG A 119 -6.032 -5.258 -7.654 1.00 62.43 H new ATOM 0 HG3 ARG A 119 -4.857 -4.702 -8.830 1.00 62.43 H new ATOM 0 HD2 ARG A 119 -6.609 -5.875 -10.019 1.00 41.51 H new ATOM 0 HD3 ARG A 119 -5.150 -6.843 -10.101 1.00 41.51 H new ATOM 0 HE ARG A 119 -7.353 -7.412 -8.137 1.00 1.11 H new ATOM 0 HH11 ARG A 119 -4.965 -8.533 -10.520 1.00 42.55 H new ATOM 0 HH12 ARG A 119 -5.392 -10.234 -10.311 1.00 42.55 H new ATOM 0 HH21 ARG A 119 -7.906 -9.598 -7.927 1.00 0.41 H new ATOM 0 HH22 ARG A 119 -7.044 -10.831 -8.854 1.00 0.41 H new ATOM 1729 N ILE A 120 -2.429 -6.251 -4.466 1.00 23.33 N ATOM 1730 CA ILE A 120 -1.599 -7.069 -3.645 1.00 64.21 C ATOM 1731 C ILE A 120 -2.405 -8.277 -3.201 1.00 22.41 C ATOM 1732 O ILE A 120 -3.505 -8.140 -2.700 1.00 21.20 O ATOM 1733 CB ILE A 120 -0.888 -6.253 -2.470 1.00 74.43 C ATOM 1734 CG1 ILE A 120 -1.858 -5.542 -1.482 1.00 31.12 C ATOM 1735 CG2 ILE A 120 0.068 -5.222 -3.050 1.00 70.31 C ATOM 1736 CD1 ILE A 120 -2.499 -6.427 -0.443 1.00 31.21 C ATOM 0 H ILE A 120 -2.919 -5.507 -3.969 1.00 23.33 H new ATOM 0 HA ILE A 120 -0.749 -7.437 -4.220 1.00 64.21 H new ATOM 0 HB ILE A 120 -0.357 -7.006 -1.888 1.00 74.43 H new ATOM 0 HG12 ILE A 120 -1.310 -4.751 -0.970 1.00 31.12 H new ATOM 0 HG13 ILE A 120 -2.647 -5.061 -2.060 1.00 31.12 H new ATOM 0 HG21 ILE A 120 0.546 -4.673 -2.239 1.00 70.31 H new ATOM 0 HG22 ILE A 120 0.829 -5.726 -3.645 1.00 70.31 H new ATOM 0 HG23 ILE A 120 -0.486 -4.527 -3.682 1.00 70.31 H new ATOM 0 HD11 ILE A 120 -3.154 -5.829 0.190 1.00 31.21 H new ATOM 0 HD12 ILE A 120 -3.082 -7.204 -0.937 1.00 31.21 H new ATOM 0 HD13 ILE A 120 -1.725 -6.889 0.169 1.00 31.21 H new ATOM 1743 N GLY A 121 -1.893 -9.442 -3.447 1.00 53.22 N ATOM 1744 CA GLY A 121 -2.669 -10.623 -3.204 1.00 31.41 C ATOM 1745 C GLY A 121 -2.979 -11.336 -4.505 1.00 25.32 C ATOM 1746 O GLY A 121 -4.049 -11.928 -4.666 1.00 74.22 O ATOM 0 H GLY A 121 -0.954 -9.603 -3.811 1.00 53.22 H new ATOM 0 HA2 GLY A 121 -2.124 -11.292 -2.538 1.00 31.41 H new ATOM 0 HA3 GLY A 121 -3.598 -10.357 -2.699 1.00 31.41 H new ATOM 1750 N CYS A 122 -2.035 -11.266 -5.444 1.00 43.33 N ATOM 1751 CA CYS A 122 -2.171 -11.915 -6.740 1.00 3.22 C ATOM 1752 C CYS A 122 -0.847 -11.882 -7.519 1.00 52.33 C ATOM 1753 O CYS A 122 -0.808 -12.216 -8.710 1.00 72.11 O ATOM 1754 CB CYS A 122 -3.268 -11.240 -7.578 1.00 44.23 C ATOM 1755 SG CYS A 122 -2.943 -9.508 -7.986 1.00 41.31 S ATOM 0 H CYS A 122 -1.158 -10.758 -5.324 1.00 43.33 H new ATOM 0 HA CYS A 122 -2.447 -12.953 -6.554 1.00 3.22 H new ATOM 0 HB2 CYS A 122 -3.396 -11.800 -8.504 1.00 44.23 H new ATOM 0 HB3 CYS A 122 -4.211 -11.301 -7.035 1.00 44.23 H new ATOM 0 HG CYS A 122 -2.404 -8.915 -6.962 1.00 41.31 H new ATOM 1761 N GLY A 123 0.233 -11.493 -6.867 1.00 41.25 N ATOM 1762 CA GLY A 123 1.489 -11.381 -7.577 1.00 4.33 C ATOM 1763 C GLY A 123 2.573 -12.222 -6.967 1.00 75.43 C ATOM 1764 O GLY A 123 2.457 -13.446 -6.902 1.00 2.33 O ATOM 0 H GLY A 123 0.266 -11.256 -5.876 1.00 41.25 H new ATOM 0 HA2 GLY A 123 1.343 -11.679 -8.615 1.00 4.33 H new ATOM 0 HA3 GLY A 123 1.805 -10.338 -7.587 1.00 4.33 H new ATOM 1768 N LEU A 124 3.609 -11.557 -6.489 1.00 32.01 N ATOM 1769 CA LEU A 124 4.768 -12.197 -5.851 1.00 3.11 C ATOM 1770 C LEU A 124 4.319 -12.900 -4.583 1.00 12.15 C ATOM 1771 O LEU A 124 4.885 -13.909 -4.166 1.00 11.32 O ATOM 1772 CB LEU A 124 5.833 -11.149 -5.463 1.00 0.45 C ATOM 1773 CG LEU A 124 6.577 -10.362 -6.566 1.00 30.11 C ATOM 1774 CD1 LEU A 124 5.650 -9.494 -7.406 1.00 0.24 C ATOM 1775 CD2 LEU A 124 7.642 -9.504 -5.928 1.00 14.45 C ATOM 0 H LEU A 124 3.679 -10.540 -6.529 1.00 32.01 H new ATOM 0 HA LEU A 124 5.197 -12.905 -6.560 1.00 3.11 H new ATOM 0 HB2 LEU A 124 5.349 -10.419 -4.814 1.00 0.45 H new ATOM 0 HB3 LEU A 124 6.587 -11.659 -4.863 1.00 0.45 H new ATOM 0 HG LEU A 124 7.022 -11.091 -7.243 1.00 30.11 H new ATOM 0 HD11 LEU A 124 6.231 -8.967 -8.163 1.00 0.24 H new ATOM 0 HD12 LEU A 124 4.905 -10.123 -7.894 1.00 0.24 H new ATOM 0 HD13 LEU A 124 5.149 -8.770 -6.764 1.00 0.24 H new ATOM 0 HD21 LEU A 124 8.171 -8.946 -6.701 1.00 14.45 H new ATOM 0 HD22 LEU A 124 7.178 -8.807 -5.230 1.00 14.45 H new ATOM 0 HD23 LEU A 124 8.347 -10.139 -5.392 1.00 14.45 H new ATOM 1783 N ASP A 125 3.293 -12.336 -3.993 1.00 71.02 N ATOM 1784 CA ASP A 125 2.674 -12.825 -2.776 1.00 31.15 C ATOM 1785 C ASP A 125 2.076 -14.227 -2.974 1.00 73.41 C ATOM 1786 O ASP A 125 2.068 -15.043 -2.048 1.00 64.04 O ATOM 1787 CB ASP A 125 1.588 -11.841 -2.337 1.00 1.54 C ATOM 1788 CG ASP A 125 0.572 -11.615 -3.429 1.00 33.10 C ATOM 1789 OD1 ASP A 125 -0.286 -12.458 -3.614 1.00 52.21 O ATOM 1790 OD2 ASP A 125 0.651 -10.570 -4.147 1.00 65.34 O ATOM 0 H ASP A 125 2.847 -11.494 -4.357 1.00 71.02 H new ATOM 0 HA ASP A 125 3.438 -12.903 -2.002 1.00 31.15 H new ATOM 0 HB2 ASP A 125 1.088 -12.223 -1.447 1.00 1.54 H new ATOM 0 HB3 ASP A 125 2.046 -10.891 -2.062 1.00 1.54 H new ATOM 1795 N ARG A 126 1.583 -14.489 -4.194 1.00 44.21 N ATOM 1796 CA ARG A 126 1.011 -15.780 -4.572 1.00 54.01 C ATOM 1797 C ARG A 126 -0.254 -16.116 -3.750 1.00 11.41 C ATOM 1798 O ARG A 126 -0.628 -17.291 -3.619 1.00 23.03 O ATOM 1799 CB ARG A 126 2.070 -16.892 -4.426 1.00 52.43 C ATOM 1800 CG ARG A 126 3.309 -16.696 -5.298 1.00 52.23 C ATOM 1801 CD ARG A 126 2.956 -16.718 -6.776 1.00 74.44 C ATOM 1802 NE ARG A 126 4.129 -16.544 -7.637 1.00 1.14 N ATOM 1803 CZ ARG A 126 4.495 -17.394 -8.610 1.00 24.52 C ATOM 1804 NH1 ARG A 126 3.862 -18.560 -8.767 1.00 74.50 N ATOM 1805 NH2 ARG A 126 5.508 -17.088 -9.405 1.00 42.32 N ATOM 0 H ARG A 126 1.572 -13.802 -4.948 1.00 44.21 H new ATOM 0 HA ARG A 126 0.705 -15.715 -5.616 1.00 54.01 H new ATOM 0 HB2 ARG A 126 2.379 -16.949 -3.382 1.00 52.43 H new ATOM 0 HB3 ARG A 126 1.612 -17.849 -4.675 1.00 52.43 H new ATOM 0 HG2 ARG A 126 3.784 -15.747 -5.050 1.00 52.23 H new ATOM 0 HG3 ARG A 126 4.034 -17.481 -5.084 1.00 52.23 H new ATOM 0 HD2 ARG A 126 2.471 -17.664 -7.016 1.00 74.44 H new ATOM 0 HD3 ARG A 126 2.235 -15.928 -6.986 1.00 74.44 H new ATOM 0 HE ARG A 126 4.709 -15.718 -7.486 1.00 1.14 H new ATOM 0 HH11 ARG A 126 3.094 -18.811 -8.145 1.00 74.50 H new ATOM 0 HH12 ARG A 126 4.147 -19.199 -9.509 1.00 74.50 H new ATOM 0 HH21 ARG A 126 6.009 -16.208 -9.278 1.00 42.32 H new ATOM 0 HH22 ARG A 126 5.788 -17.732 -10.145 1.00 42.32 H new ATOM 1817 N LEU A 127 -0.938 -15.099 -3.265 1.00 24.22 N ATOM 1818 CA LEU A 127 -2.125 -15.292 -2.439 1.00 5.15 C ATOM 1819 C LEU A 127 -3.393 -15.142 -3.274 1.00 13.43 C ATOM 1820 O LEU A 127 -3.327 -14.810 -4.464 1.00 2.53 O ATOM 1821 CB LEU A 127 -2.132 -14.281 -1.285 1.00 71.23 C ATOM 1822 CG LEU A 127 -0.949 -14.354 -0.312 1.00 1.41 C ATOM 1823 CD1 LEU A 127 -1.051 -13.259 0.731 1.00 32.05 C ATOM 1824 CD2 LEU A 127 -0.890 -15.715 0.361 1.00 42.44 C ATOM 0 H LEU A 127 -0.694 -14.122 -3.427 1.00 24.22 H new ATOM 0 HA LEU A 127 -2.100 -16.302 -2.029 1.00 5.15 H new ATOM 0 HB2 LEU A 127 -2.165 -13.277 -1.709 1.00 71.23 H new ATOM 0 HB3 LEU A 127 -3.052 -14.417 -0.716 1.00 71.23 H new ATOM 0 HG LEU A 127 -0.031 -14.210 -0.882 1.00 1.41 H new ATOM 0 HD11 LEU A 127 -0.203 -13.326 1.413 1.00 32.05 H new ATOM 0 HD12 LEU A 127 -1.045 -12.286 0.239 1.00 32.05 H new ATOM 0 HD13 LEU A 127 -1.978 -13.376 1.292 1.00 32.05 H new ATOM 0 HD21 LEU A 127 -0.044 -15.745 1.047 1.00 42.44 H new ATOM 0 HD22 LEU A 127 -1.813 -15.887 0.915 1.00 42.44 H new ATOM 0 HD23 LEU A 127 -0.771 -16.490 -0.396 1.00 42.44 H new ATOM 1832 N GLN A 128 -4.541 -15.421 -2.668 1.00 54.32 N ATOM 1833 CA GLN A 128 -5.820 -15.248 -3.340 1.00 13.32 C ATOM 1834 C GLN A 128 -6.443 -13.931 -2.943 1.00 72.12 C ATOM 1835 O GLN A 128 -6.668 -13.673 -1.742 1.00 10.32 O ATOM 1836 CB GLN A 128 -6.818 -16.375 -3.053 1.00 1.02 C ATOM 1837 CG GLN A 128 -6.511 -17.740 -3.642 1.00 43.42 C ATOM 1838 CD GLN A 128 -5.288 -18.416 -3.059 1.00 61.15 C ATOM 1839 OE1 GLN A 128 -4.175 -18.258 -3.548 1.00 22.25 O ATOM 1840 NE2 GLN A 128 -5.492 -19.182 -2.022 1.00 1.01 N ATOM 0 H GLN A 128 -4.611 -15.768 -1.711 1.00 54.32 H new ATOM 0 HA GLN A 128 -5.604 -15.269 -4.408 1.00 13.32 H new ATOM 0 HB2 GLN A 128 -6.902 -16.485 -1.972 1.00 1.02 H new ATOM 0 HB3 GLN A 128 -7.796 -16.062 -3.418 1.00 1.02 H new ATOM 0 HG2 GLN A 128 -7.374 -18.388 -3.493 1.00 43.42 H new ATOM 0 HG3 GLN A 128 -6.374 -17.635 -4.718 1.00 43.42 H new ATOM 0 HE21 GLN A 128 -6.433 -19.288 -1.644 1.00 1.01 H new ATOM 0 HE22 GLN A 128 -4.710 -19.674 -1.590 1.00 1.01 H new ATOM 1848 N TRP A 129 -6.762 -13.133 -3.936 1.00 73.21 N ATOM 1849 CA TRP A 129 -7.315 -11.796 -3.754 1.00 53.32 C ATOM 1850 C TRP A 129 -8.616 -11.804 -2.983 1.00 32.33 C ATOM 1851 O TRP A 129 -8.862 -10.900 -2.196 1.00 51.43 O ATOM 1852 CB TRP A 129 -7.455 -11.072 -5.110 1.00 33.21 C ATOM 1853 CG TRP A 129 -8.100 -9.717 -5.025 1.00 61.01 C ATOM 1854 CD1 TRP A 129 -9.419 -9.424 -5.237 1.00 60.52 C ATOM 1855 CD2 TRP A 129 -7.466 -8.480 -4.694 1.00 5.44 C ATOM 1856 NE1 TRP A 129 -9.639 -8.089 -5.056 1.00 31.32 N ATOM 1857 CE2 TRP A 129 -8.457 -7.481 -4.723 1.00 31.42 C ATOM 1858 CE3 TRP A 129 -6.162 -8.118 -4.375 1.00 44.02 C ATOM 1859 CZ2 TRP A 129 -8.180 -6.146 -4.442 1.00 63.33 C ATOM 1860 CZ3 TRP A 129 -5.891 -6.795 -4.099 1.00 24.10 C ATOM 1861 CH2 TRP A 129 -6.891 -5.826 -4.133 1.00 63.43 C ATOM 0 H TRP A 129 -6.645 -13.393 -4.915 1.00 73.21 H new ATOM 0 HA TRP A 129 -6.607 -11.235 -3.143 1.00 53.32 H new ATOM 0 HB2 TRP A 129 -6.466 -10.963 -5.554 1.00 33.21 H new ATOM 0 HB3 TRP A 129 -8.040 -11.698 -5.784 1.00 33.21 H new ATOM 0 HD1 TRP A 129 -10.177 -10.144 -5.508 1.00 60.52 H new ATOM 0 HE1 TRP A 129 -10.539 -7.619 -5.153 1.00 31.32 H new ATOM 0 HE3 TRP A 129 -5.377 -8.859 -4.344 1.00 44.02 H new ATOM 0 HZ2 TRP A 129 -8.955 -5.394 -4.468 1.00 63.33 H new ATOM 0 HZ3 TRP A 129 -4.881 -6.503 -3.851 1.00 24.10 H new ATOM 0 HH2 TRP A 129 -6.640 -4.799 -3.910 1.00 63.43 H new ATOM 1872 N GLU A 130 -9.419 -12.822 -3.204 1.00 13.04 N ATOM 1873 CA GLU A 130 -10.699 -12.987 -2.526 1.00 75.43 C ATOM 1874 C GLU A 130 -10.509 -12.823 -1.018 1.00 32.32 C ATOM 1875 O GLU A 130 -11.208 -12.041 -0.369 1.00 1.10 O ATOM 1876 CB GLU A 130 -11.311 -14.389 -2.799 1.00 44.11 C ATOM 1877 CG GLU A 130 -11.459 -14.798 -4.273 1.00 13.53 C ATOM 1878 CD GLU A 130 -10.133 -15.091 -4.953 1.00 43.24 C ATOM 1879 OE1 GLU A 130 -9.673 -16.238 -4.892 1.00 21.10 O ATOM 1880 OE2 GLU A 130 -9.528 -14.170 -5.533 1.00 31.43 O ATOM 0 H GLU A 130 -9.205 -13.569 -3.865 1.00 13.04 H new ATOM 0 HA GLU A 130 -11.378 -12.226 -2.912 1.00 75.43 H new ATOM 0 HB2 GLU A 130 -10.693 -15.134 -2.299 1.00 44.11 H new ATOM 0 HB3 GLU A 130 -12.296 -14.428 -2.334 1.00 44.11 H new ATOM 0 HG2 GLU A 130 -12.094 -15.682 -4.335 1.00 13.53 H new ATOM 0 HG3 GLU A 130 -11.968 -14.001 -4.814 1.00 13.53 H new ATOM 1887 N ASN A 131 -9.514 -13.521 -0.494 1.00 70.04 N ATOM 1888 CA ASN A 131 -9.205 -13.491 0.934 1.00 63.33 C ATOM 1889 C ASN A 131 -8.565 -12.180 1.308 1.00 21.01 C ATOM 1890 O ASN A 131 -8.959 -11.543 2.277 1.00 25.52 O ATOM 1891 CB ASN A 131 -8.224 -14.605 1.299 1.00 60.32 C ATOM 1892 CG ASN A 131 -8.692 -15.967 0.897 1.00 53.22 C ATOM 1893 OD1 ASN A 131 -8.349 -16.353 -0.304 1.00 1.03 O flip ATOM 1894 ND2 ASN A 131 -9.357 -16.665 1.658 1.00 71.54 N flip ATOM 0 H ASN A 131 -8.898 -14.123 -1.040 1.00 70.04 H new ATOM 0 HA ASN A 131 -10.144 -13.624 1.472 1.00 63.33 H new ATOM 0 HB2 ASN A 131 -7.264 -14.404 0.823 1.00 60.32 H new ATOM 0 HB3 ASN A 131 -8.055 -14.591 2.376 1.00 60.32 H new ATOM 0 HD21 ASN A 131 -9.600 -16.319 2.586 1.00 71.54 H new ATOM 0 HD22 ASN A 131 -9.667 -17.591 1.362 1.00 71.54 H new ATOM 1900 N VAL A 132 -7.575 -11.774 0.519 1.00 43.53 N ATOM 1901 CA VAL A 132 -6.802 -10.572 0.797 1.00 2.44 C ATOM 1902 C VAL A 132 -7.685 -9.332 0.832 1.00 53.41 C ATOM 1903 O VAL A 132 -7.700 -8.618 1.822 1.00 52.54 O ATOM 1904 CB VAL A 132 -5.644 -10.372 -0.214 1.00 24.54 C ATOM 1905 CG1 VAL A 132 -4.853 -9.122 0.115 1.00 13.45 C ATOM 1906 CG2 VAL A 132 -4.726 -11.580 -0.227 1.00 71.30 C ATOM 0 H VAL A 132 -7.288 -12.267 -0.327 1.00 43.53 H new ATOM 0 HA VAL A 132 -6.364 -10.714 1.785 1.00 2.44 H new ATOM 0 HB VAL A 132 -6.082 -10.256 -1.206 1.00 24.54 H new ATOM 0 HG11 VAL A 132 -4.046 -9.002 -0.607 1.00 13.45 H new ATOM 0 HG12 VAL A 132 -5.510 -8.254 0.072 1.00 13.45 H new ATOM 0 HG13 VAL A 132 -4.433 -9.210 1.117 1.00 13.45 H new ATOM 0 HG21 VAL A 132 -3.921 -11.417 -0.944 1.00 71.30 H new ATOM 0 HG22 VAL A 132 -4.303 -11.726 0.767 1.00 71.30 H new ATOM 0 HG23 VAL A 132 -5.294 -12.465 -0.514 1.00 71.30 H new ATOM 1912 N SER A 133 -8.440 -9.117 -0.228 1.00 0.34 N ATOM 1913 CA SER A 133 -9.310 -7.964 -0.353 1.00 2.12 C ATOM 1914 C SER A 133 -10.301 -7.887 0.805 1.00 30.54 C ATOM 1915 O SER A 133 -10.486 -6.820 1.393 1.00 42.32 O ATOM 1916 CB SER A 133 -10.035 -8.001 -1.705 1.00 52.41 C ATOM 1917 OG SER A 133 -10.952 -6.923 -1.857 1.00 65.23 O ATOM 0 H SER A 133 -8.467 -9.743 -1.033 1.00 0.34 H new ATOM 0 HA SER A 133 -8.698 -7.063 -0.311 1.00 2.12 H new ATOM 0 HB2 SER A 133 -9.300 -7.966 -2.510 1.00 52.41 H new ATOM 0 HB3 SER A 133 -10.570 -8.946 -1.802 1.00 52.41 H new ATOM 0 HG SER A 133 -11.389 -6.986 -2.732 1.00 65.23 H new ATOM 1923 N ALA A 134 -10.902 -9.023 1.152 1.00 30.10 N ATOM 1924 CA ALA A 134 -11.862 -9.080 2.244 1.00 11.12 C ATOM 1925 C ALA A 134 -11.183 -8.747 3.566 1.00 44.21 C ATOM 1926 O ALA A 134 -11.706 -7.995 4.377 1.00 42.13 O ATOM 1927 CB ALA A 134 -12.502 -10.455 2.312 1.00 3.53 C ATOM 0 H ALA A 134 -10.738 -9.917 0.689 1.00 30.10 H new ATOM 0 HA ALA A 134 -12.642 -8.341 2.059 1.00 11.12 H new ATOM 0 HB1 ALA A 134 -13.218 -10.483 3.134 1.00 3.53 H new ATOM 0 HB2 ALA A 134 -13.017 -10.663 1.374 1.00 3.53 H new ATOM 0 HB3 ALA A 134 -11.731 -11.207 2.477 1.00 3.53 H new ATOM 1933 N MET A 135 -10.004 -9.289 3.748 1.00 34.31 N ATOM 1934 CA MET A 135 -9.234 -9.074 4.951 1.00 42.12 C ATOM 1935 C MET A 135 -8.838 -7.596 5.083 1.00 74.40 C ATOM 1936 O MET A 135 -8.887 -7.037 6.172 1.00 14.13 O ATOM 1937 CB MET A 135 -8.015 -10.003 4.956 1.00 35.42 C ATOM 1938 CG MET A 135 -7.162 -9.946 6.205 1.00 71.14 C ATOM 1939 SD MET A 135 -5.876 -11.222 6.211 1.00 52.51 S ATOM 1940 CE MET A 135 -4.927 -10.794 4.749 1.00 34.12 C ATOM 0 H MET A 135 -9.549 -9.894 3.064 1.00 34.31 H new ATOM 0 HA MET A 135 -9.843 -9.317 5.822 1.00 42.12 H new ATOM 0 HB2 MET A 135 -8.360 -11.028 4.818 1.00 35.42 H new ATOM 0 HB3 MET A 135 -7.389 -9.759 4.097 1.00 35.42 H new ATOM 0 HG2 MET A 135 -6.697 -8.963 6.281 1.00 71.14 H new ATOM 0 HG3 MET A 135 -7.797 -10.067 7.083 1.00 71.14 H new ATOM 0 HE1 MET A 135 -3.918 -11.197 4.839 1.00 34.12 H new ATOM 0 HE2 MET A 135 -5.409 -11.215 3.866 1.00 34.12 H new ATOM 0 HE3 MET A 135 -4.877 -9.709 4.652 1.00 34.12 H new ATOM 1950 N ILE A 136 -8.477 -6.969 3.960 1.00 65.15 N ATOM 1951 CA ILE A 136 -8.147 -5.551 3.931 1.00 71.31 C ATOM 1952 C ILE A 136 -9.372 -4.726 4.327 1.00 31.23 C ATOM 1953 O ILE A 136 -9.295 -3.841 5.197 1.00 62.53 O ATOM 1954 CB ILE A 136 -7.694 -5.101 2.505 1.00 72.20 C ATOM 1955 CG1 ILE A 136 -6.441 -5.855 2.054 1.00 24.40 C ATOM 1956 CG2 ILE A 136 -7.445 -3.604 2.470 1.00 41.34 C ATOM 1957 CD1 ILE A 136 -6.002 -5.522 0.642 1.00 53.44 C ATOM 0 H ILE A 136 -8.407 -7.431 3.053 1.00 65.15 H new ATOM 0 HA ILE A 136 -7.329 -5.389 4.633 1.00 71.31 H new ATOM 0 HB ILE A 136 -8.501 -5.340 1.812 1.00 72.20 H new ATOM 0 HG12 ILE A 136 -5.625 -5.629 2.741 1.00 24.40 H new ATOM 0 HG13 ILE A 136 -6.628 -6.927 2.123 1.00 24.40 H new ATOM 0 HG21 ILE A 136 -7.130 -3.311 1.468 1.00 41.34 H new ATOM 0 HG22 ILE A 136 -8.362 -3.076 2.731 1.00 41.34 H new ATOM 0 HG23 ILE A 136 -6.663 -3.348 3.185 1.00 41.34 H new ATOM 0 HD11 ILE A 136 -5.108 -6.095 0.394 1.00 53.44 H new ATOM 0 HD12 ILE A 136 -6.800 -5.774 -0.056 1.00 53.44 H new ATOM 0 HD13 ILE A 136 -5.781 -4.457 0.571 1.00 53.44 H new ATOM 1964 N GLU A 137 -10.508 -5.039 3.711 1.00 5.21 N ATOM 1965 CA GLU A 137 -11.713 -4.287 3.942 1.00 62.41 C ATOM 1966 C GLU A 137 -12.245 -4.390 5.366 1.00 41.32 C ATOM 1967 O GLU A 137 -12.859 -3.455 5.854 1.00 65.22 O ATOM 1968 CB GLU A 137 -12.770 -4.447 2.806 1.00 32.24 C ATOM 1969 CG GLU A 137 -13.308 -5.847 2.497 1.00 13.21 C ATOM 1970 CD GLU A 137 -14.342 -6.386 3.479 1.00 14.23 C ATOM 1971 OE1 GLU A 137 -14.808 -5.633 4.352 1.00 13.12 O ATOM 1972 OE2 GLU A 137 -14.750 -7.567 3.338 1.00 51.22 O ATOM 0 H GLU A 137 -10.608 -5.810 3.050 1.00 5.21 H new ATOM 0 HA GLU A 137 -11.426 -3.238 3.873 1.00 62.41 H new ATOM 0 HB2 GLU A 137 -13.621 -3.813 3.054 1.00 32.24 H new ATOM 0 HB3 GLU A 137 -12.333 -4.050 1.889 1.00 32.24 H new ATOM 0 HG2 GLU A 137 -13.751 -5.835 1.501 1.00 13.21 H new ATOM 0 HG3 GLU A 137 -12.468 -6.541 2.464 1.00 13.21 H new ATOM 1979 N GLU A 138 -11.987 -5.513 6.035 1.00 21.11 N ATOM 1980 CA GLU A 138 -12.357 -5.653 7.441 1.00 75.12 C ATOM 1981 C GLU A 138 -11.521 -4.724 8.303 1.00 40.24 C ATOM 1982 O GLU A 138 -12.033 -4.055 9.202 1.00 50.24 O ATOM 1983 CB GLU A 138 -12.151 -7.073 7.938 1.00 71.11 C ATOM 1984 CG GLU A 138 -12.964 -8.109 7.230 1.00 45.34 C ATOM 1985 CD GLU A 138 -12.820 -9.447 7.865 1.00 4.11 C ATOM 1986 OE1 GLU A 138 -13.482 -9.690 8.888 1.00 24.11 O ATOM 1987 OE2 GLU A 138 -12.032 -10.287 7.367 1.00 50.21 O ATOM 0 H GLU A 138 -11.529 -6.330 5.631 1.00 21.11 H new ATOM 0 HA GLU A 138 -13.414 -5.397 7.517 1.00 75.12 H new ATOM 0 HB2 GLU A 138 -11.096 -7.328 7.838 1.00 71.11 H new ATOM 0 HB3 GLU A 138 -12.389 -7.109 9.001 1.00 71.11 H new ATOM 0 HG2 GLU A 138 -14.013 -7.815 7.235 1.00 45.34 H new ATOM 0 HG3 GLU A 138 -12.654 -8.166 6.187 1.00 45.34 H new ATOM 1994 N VAL A 139 -10.236 -4.681 8.016 1.00 50.01 N ATOM 1995 CA VAL A 139 -9.287 -3.887 8.777 1.00 41.12 C ATOM 1996 C VAL A 139 -9.622 -2.387 8.736 1.00 0.24 C ATOM 1997 O VAL A 139 -9.608 -1.716 9.766 1.00 53.04 O ATOM 1998 CB VAL A 139 -7.819 -4.144 8.303 1.00 75.20 C ATOM 1999 CG1 VAL A 139 -6.841 -3.246 9.027 1.00 1.13 C ATOM 2000 CG2 VAL A 139 -7.434 -5.596 8.534 1.00 11.35 C ATOM 0 H VAL A 139 -9.816 -5.198 7.244 1.00 50.01 H new ATOM 0 HA VAL A 139 -9.369 -4.209 9.815 1.00 41.12 H new ATOM 0 HB VAL A 139 -7.775 -3.919 7.237 1.00 75.20 H new ATOM 0 HG11 VAL A 139 -5.830 -3.450 8.674 1.00 1.13 H new ATOM 0 HG12 VAL A 139 -7.090 -2.203 8.831 1.00 1.13 H new ATOM 0 HG13 VAL A 139 -6.897 -3.437 10.099 1.00 1.13 H new ATOM 0 HG21 VAL A 139 -6.410 -5.759 8.199 1.00 11.35 H new ATOM 0 HG22 VAL A 139 -7.509 -5.828 9.596 1.00 11.35 H new ATOM 0 HG23 VAL A 139 -8.107 -6.244 7.973 1.00 11.35 H new ATOM 2006 N PHE A 140 -9.952 -1.880 7.568 1.00 32.34 N ATOM 2007 CA PHE A 140 -10.248 -0.443 7.397 1.00 11.25 C ATOM 2008 C PHE A 140 -11.764 -0.148 7.457 1.00 33.14 C ATOM 2009 O PHE A 140 -12.190 0.983 7.186 1.00 12.22 O ATOM 2010 CB PHE A 140 -9.706 0.055 6.041 1.00 24.33 C ATOM 2011 CG PHE A 140 -8.208 0.021 5.888 1.00 0.02 C ATOM 2012 CD1 PHE A 140 -7.539 -1.167 5.629 1.00 4.14 C ATOM 2013 CD2 PHE A 140 -7.472 1.185 5.998 1.00 62.23 C ATOM 2014 CE1 PHE A 140 -6.165 -1.188 5.485 1.00 10.52 C ATOM 2015 CE2 PHE A 140 -6.099 1.171 5.851 1.00 2.03 C ATOM 2016 CZ PHE A 140 -5.447 -0.015 5.596 1.00 22.51 C ATOM 0 H PHE A 140 -10.027 -2.429 6.711 1.00 32.34 H new ATOM 0 HA PHE A 140 -9.760 0.079 8.220 1.00 11.25 H new ATOM 0 HB2 PHE A 140 -10.148 -0.549 5.249 1.00 24.33 H new ATOM 0 HB3 PHE A 140 -10.046 1.079 5.888 1.00 24.33 H new ATOM 0 HD1 PHE A 140 -8.099 -2.086 5.539 1.00 4.14 H new ATOM 0 HD2 PHE A 140 -7.977 2.118 6.202 1.00 62.23 H new ATOM 0 HE1 PHE A 140 -5.655 -2.119 5.286 1.00 10.52 H new ATOM 0 HE2 PHE A 140 -5.537 2.089 5.936 1.00 2.03 H new ATOM 0 HZ PHE A 140 -4.373 -0.027 5.483 1.00 22.51 H new ATOM 2026 N GLU A 141 -12.553 -1.139 7.836 1.00 53.12 N ATOM 2027 CA GLU A 141 -14.027 -1.042 7.809 1.00 22.35 C ATOM 2028 C GLU A 141 -14.597 0.130 8.620 1.00 3.53 C ATOM 2029 O GLU A 141 -15.593 0.751 8.226 1.00 41.15 O ATOM 2030 CB GLU A 141 -14.663 -2.375 8.219 1.00 72.03 C ATOM 2031 CG GLU A 141 -16.179 -2.388 8.212 1.00 31.43 C ATOM 2032 CD GLU A 141 -16.742 -3.755 8.477 1.00 54.30 C ATOM 2033 OE1 GLU A 141 -16.833 -4.157 9.648 1.00 3.23 O ATOM 2034 OE2 GLU A 141 -17.108 -4.447 7.511 1.00 13.35 O ATOM 0 H GLU A 141 -12.204 -2.037 8.172 1.00 53.12 H new ATOM 0 HA GLU A 141 -14.295 -0.824 6.775 1.00 22.35 H new ATOM 0 HB2 GLU A 141 -14.304 -3.154 7.546 1.00 72.03 H new ATOM 0 HB3 GLU A 141 -14.317 -2.634 9.220 1.00 72.03 H new ATOM 0 HG2 GLU A 141 -16.549 -1.693 8.966 1.00 31.43 H new ATOM 0 HG3 GLU A 141 -16.538 -2.031 7.247 1.00 31.43 H new ATOM 2041 N ALA A 142 -13.964 0.454 9.701 1.00 44.13 N ATOM 2042 CA ALA A 142 -14.456 1.508 10.574 1.00 63.13 C ATOM 2043 C ALA A 142 -13.836 2.871 10.248 1.00 23.33 C ATOM 2044 O ALA A 142 -14.005 3.831 11.008 1.00 12.14 O ATOM 2045 CB ALA A 142 -14.213 1.145 12.034 1.00 12.01 C ATOM 0 H ALA A 142 -13.100 0.011 10.014 1.00 44.13 H new ATOM 0 HA ALA A 142 -15.529 1.595 10.402 1.00 63.13 H new ATOM 0 HB1 ALA A 142 -14.587 1.944 12.675 1.00 12.01 H new ATOM 0 HB2 ALA A 142 -14.734 0.217 12.270 1.00 12.01 H new ATOM 0 HB3 ALA A 142 -13.144 1.014 12.203 1.00 12.01 H new ATOM 2051 N THR A 143 -13.154 2.981 9.120 1.00 1.02 N ATOM 2052 CA THR A 143 -12.511 4.241 8.775 1.00 41.42 C ATOM 2053 C THR A 143 -13.087 4.867 7.514 1.00 63.41 C ATOM 2054 O THR A 143 -13.943 4.279 6.839 1.00 0.31 O ATOM 2055 CB THR A 143 -10.986 4.105 8.618 1.00 63.24 C ATOM 2056 OG1 THR A 143 -10.660 3.143 7.605 1.00 71.21 O ATOM 2057 CG2 THR A 143 -10.343 3.706 9.915 1.00 70.04 C ATOM 0 H THR A 143 -13.032 2.231 8.439 1.00 1.02 H new ATOM 0 HA THR A 143 -12.718 4.900 9.618 1.00 41.42 H new ATOM 0 HB THR A 143 -10.600 5.080 8.320 1.00 63.24 H new ATOM 0 HG1 THR A 143 -11.313 2.413 7.625 1.00 71.21 H new ATOM 0 HG21 THR A 143 -9.266 3.617 9.775 1.00 70.04 H new ATOM 0 HG22 THR A 143 -10.549 4.463 10.671 1.00 70.04 H new ATOM 0 HG23 THR A 143 -10.747 2.748 10.241 1.00 70.04 H new ATOM 2063 N ASP A 144 -12.605 6.058 7.207 1.00 3.03 N ATOM 2064 CA ASP A 144 -13.015 6.813 6.028 1.00 42.32 C ATOM 2065 C ASP A 144 -11.918 6.741 4.994 1.00 54.45 C ATOM 2066 O ASP A 144 -11.906 7.494 4.017 1.00 73.24 O ATOM 2067 CB ASP A 144 -13.243 8.284 6.390 1.00 21.45 C ATOM 2068 CG ASP A 144 -14.266 8.472 7.470 1.00 21.31 C ATOM 2069 OD1 ASP A 144 -15.472 8.417 7.181 1.00 34.12 O ATOM 2070 OD2 ASP A 144 -13.872 8.668 8.646 1.00 10.51 O ATOM 0 H ASP A 144 -11.907 6.538 7.776 1.00 3.03 H new ATOM 0 HA ASP A 144 -13.941 6.387 5.641 1.00 42.32 H new ATOM 0 HB2 ASP A 144 -12.299 8.723 6.712 1.00 21.45 H new ATOM 0 HB3 ASP A 144 -13.560 8.826 5.499 1.00 21.45 H new ATOM 2075 N ILE A 145 -11.004 5.833 5.215 1.00 30.23 N ATOM 2076 CA ILE A 145 -9.866 5.650 4.359 1.00 12.33 C ATOM 2077 C ILE A 145 -10.295 4.974 3.071 1.00 53.32 C ATOM 2078 O ILE A 145 -10.909 3.904 3.093 1.00 3.34 O ATOM 2079 CB ILE A 145 -8.789 4.797 5.074 1.00 0.10 C ATOM 2080 CG1 ILE A 145 -8.391 5.477 6.392 1.00 23.21 C ATOM 2081 CG2 ILE A 145 -7.559 4.606 4.174 1.00 41.43 C ATOM 2082 CD1 ILE A 145 -7.474 4.655 7.266 1.00 64.44 C ATOM 0 H ILE A 145 -11.032 5.191 6.007 1.00 30.23 H new ATOM 0 HA ILE A 145 -9.439 6.625 4.125 1.00 12.33 H new ATOM 0 HB ILE A 145 -9.202 3.811 5.289 1.00 0.10 H new ATOM 0 HG12 ILE A 145 -7.903 6.425 6.165 1.00 23.21 H new ATOM 0 HG13 ILE A 145 -9.295 5.711 6.954 1.00 23.21 H new ATOM 0 HG21 ILE A 145 -6.816 4.004 4.697 1.00 41.43 H new ATOM 0 HG22 ILE A 145 -7.855 4.100 3.255 1.00 41.43 H new ATOM 0 HG23 ILE A 145 -7.132 5.579 3.930 1.00 41.43 H new ATOM 0 HD11 ILE A 145 -7.244 5.210 8.175 1.00 64.44 H new ATOM 0 HD12 ILE A 145 -7.965 3.718 7.528 1.00 64.44 H new ATOM 0 HD13 ILE A 145 -6.551 4.443 6.727 1.00 64.44 H new ATOM 2089 N LYS A 146 -10.012 5.615 1.971 1.00 25.51 N ATOM 2090 CA LYS A 146 -10.320 5.078 0.676 1.00 25.14 C ATOM 2091 C LYS A 146 -9.148 4.323 0.144 1.00 24.11 C ATOM 2092 O LYS A 146 -8.025 4.831 0.129 1.00 14.44 O ATOM 2093 CB LYS A 146 -10.682 6.174 -0.307 1.00 24.31 C ATOM 2094 CG LYS A 146 -11.912 6.958 0.051 1.00 23.13 C ATOM 2095 CD LYS A 146 -12.189 7.992 -1.006 1.00 43.40 C ATOM 2096 CE LYS A 146 -13.425 8.793 -0.671 1.00 4.02 C ATOM 2097 NZ LYS A 146 -13.692 9.869 -1.649 1.00 34.12 N ATOM 0 H LYS A 146 -9.559 6.529 1.948 1.00 25.51 H new ATOM 0 HA LYS A 146 -11.176 4.413 0.791 1.00 25.14 H new ATOM 0 HB2 LYS A 146 -9.841 6.862 -0.389 1.00 24.31 H new ATOM 0 HB3 LYS A 146 -10.826 5.728 -1.291 1.00 24.31 H new ATOM 0 HG2 LYS A 146 -12.766 6.287 0.148 1.00 23.13 H new ATOM 0 HG3 LYS A 146 -11.776 7.442 1.018 1.00 23.13 H new ATOM 0 HD2 LYS A 146 -11.333 8.660 -1.099 1.00 43.40 H new ATOM 0 HD3 LYS A 146 -12.319 7.504 -1.972 1.00 43.40 H new ATOM 0 HE2 LYS A 146 -14.285 8.125 -0.629 1.00 4.02 H new ATOM 0 HE3 LYS A 146 -13.312 9.230 0.321 1.00 4.02 H new ATOM 0 HZ1 LYS A 146 -14.550 10.386 -1.371 1.00 34.12 H new ATOM 0 HZ2 LYS A 146 -12.885 10.525 -1.673 1.00 34.12 H new ATOM 0 HZ3 LYS A 146 -13.829 9.454 -2.593 1.00 34.12 H new ATOM 2111 N ILE A 147 -9.402 3.134 -0.282 1.00 62.45 N ATOM 2112 CA ILE A 147 -8.387 2.304 -0.858 1.00 65.04 C ATOM 2113 C ILE A 147 -8.622 2.109 -2.320 1.00 72.23 C ATOM 2114 O ILE A 147 -9.617 1.523 -2.749 1.00 52.43 O ATOM 2115 CB ILE A 147 -8.227 0.963 -0.123 1.00 42.54 C ATOM 2116 CG1 ILE A 147 -7.657 1.243 1.256 1.00 23.14 C ATOM 2117 CG2 ILE A 147 -7.330 -0.003 -0.906 1.00 34.22 C ATOM 2118 CD1 ILE A 147 -7.474 0.018 2.118 1.00 53.44 C ATOM 0 H ILE A 147 -10.325 2.702 -0.243 1.00 62.45 H new ATOM 0 HA ILE A 147 -7.440 2.830 -0.735 1.00 65.04 H new ATOM 0 HB ILE A 147 -9.199 0.479 -0.032 1.00 42.54 H new ATOM 0 HG12 ILE A 147 -6.693 1.739 1.143 1.00 23.14 H new ATOM 0 HG13 ILE A 147 -8.316 1.940 1.773 1.00 23.14 H new ATOM 0 HG21 ILE A 147 -7.239 -0.940 -0.357 1.00 34.22 H new ATOM 0 HG22 ILE A 147 -7.770 -0.196 -1.884 1.00 34.22 H new ATOM 0 HG23 ILE A 147 -6.342 0.440 -1.034 1.00 34.22 H new ATOM 0 HD11 ILE A 147 -7.063 0.311 3.084 1.00 53.44 H new ATOM 0 HD12 ILE A 147 -8.437 -0.470 2.267 1.00 53.44 H new ATOM 0 HD13 ILE A 147 -6.789 -0.674 1.627 1.00 53.44 H new ATOM 2125 N THR A 148 -7.719 2.609 -3.073 1.00 35.51 N ATOM 2126 CA THR A 148 -7.810 2.555 -4.494 1.00 51.14 C ATOM 2127 C THR A 148 -6.746 1.629 -5.064 1.00 55.14 C ATOM 2128 O THR A 148 -5.549 1.805 -4.811 1.00 74.41 O ATOM 2129 CB THR A 148 -7.649 3.965 -5.092 1.00 13.33 C ATOM 2130 OG1 THR A 148 -8.621 4.847 -4.505 1.00 70.45 O ATOM 2131 CG2 THR A 148 -7.837 3.944 -6.598 1.00 23.33 C ATOM 0 H THR A 148 -6.882 3.075 -2.723 1.00 35.51 H new ATOM 0 HA THR A 148 -8.793 2.165 -4.759 1.00 51.14 H new ATOM 0 HB THR A 148 -6.641 4.317 -4.874 1.00 13.33 H new ATOM 0 HG1 THR A 148 -8.518 5.745 -4.883 1.00 70.45 H new ATOM 0 HG21 THR A 148 -7.718 4.953 -6.994 1.00 23.33 H new ATOM 0 HG22 THR A 148 -7.093 3.287 -7.048 1.00 23.33 H new ATOM 0 HG23 THR A 148 -8.836 3.577 -6.835 1.00 23.33 H new ATOM 2137 N VAL A 149 -7.182 0.654 -5.823 1.00 73.32 N ATOM 2138 CA VAL A 149 -6.288 -0.262 -6.441 1.00 64.35 C ATOM 2139 C VAL A 149 -6.143 0.092 -7.905 1.00 62.13 C ATOM 2140 O VAL A 149 -7.140 0.297 -8.623 1.00 71.20 O ATOM 2141 CB VAL A 149 -6.722 -1.770 -6.286 1.00 65.52 C ATOM 2142 CG1 VAL A 149 -6.932 -2.153 -4.842 1.00 1.42 C ATOM 2143 CG2 VAL A 149 -7.935 -2.116 -7.112 1.00 65.30 C ATOM 0 H VAL A 149 -8.168 0.483 -6.023 1.00 73.32 H new ATOM 0 HA VAL A 149 -5.331 -0.170 -5.927 1.00 64.35 H new ATOM 0 HB VAL A 149 -5.890 -2.359 -6.673 1.00 65.52 H new ATOM 0 HG11 VAL A 149 -7.230 -3.200 -4.783 1.00 1.42 H new ATOM 0 HG12 VAL A 149 -6.004 -2.008 -4.288 1.00 1.42 H new ATOM 0 HG13 VAL A 149 -7.714 -1.528 -4.410 1.00 1.42 H new ATOM 0 HG21 VAL A 149 -8.187 -3.166 -6.966 1.00 65.30 H new ATOM 0 HG22 VAL A 149 -8.775 -1.494 -6.803 1.00 65.30 H new ATOM 0 HG23 VAL A 149 -7.720 -1.938 -8.166 1.00 65.30 H new ATOM 2149 N TYR A 150 -4.949 0.229 -8.335 1.00 4.44 N ATOM 2150 CA TYR A 150 -4.712 0.419 -9.724 1.00 43.34 C ATOM 2151 C TYR A 150 -4.438 -0.896 -10.363 1.00 62.41 C ATOM 2152 O TYR A 150 -3.542 -1.642 -9.952 1.00 45.41 O ATOM 2153 CB TYR A 150 -3.653 1.473 -10.027 1.00 22.15 C ATOM 2154 CG TYR A 150 -4.170 2.898 -9.896 1.00 1.25 C ATOM 2155 CD1 TYR A 150 -4.193 3.557 -8.681 1.00 31.42 C ATOM 2156 CD2 TYR A 150 -4.636 3.579 -11.010 1.00 20.34 C ATOM 2157 CE1 TYR A 150 -4.670 4.857 -8.580 1.00 72.05 C ATOM 2158 CE2 TYR A 150 -5.109 4.871 -10.920 1.00 25.12 C ATOM 2159 CZ TYR A 150 -5.125 5.506 -9.706 1.00 41.33 C ATOM 2160 OH TYR A 150 -5.602 6.800 -9.618 1.00 75.23 O ATOM 0 H TYR A 150 -4.114 0.214 -7.750 1.00 4.44 H new ATOM 0 HA TYR A 150 -5.617 0.834 -10.167 1.00 43.34 H new ATOM 0 HB2 TYR A 150 -2.809 1.336 -9.350 1.00 22.15 H new ATOM 0 HB3 TYR A 150 -3.278 1.321 -11.039 1.00 22.15 H new ATOM 0 HD1 TYR A 150 -3.834 3.052 -7.796 1.00 31.42 H new ATOM 0 HD2 TYR A 150 -4.628 3.086 -11.971 1.00 20.34 H new ATOM 0 HE1 TYR A 150 -4.684 5.357 -7.623 1.00 72.05 H new ATOM 0 HE2 TYR A 150 -5.466 5.381 -11.803 1.00 25.12 H new ATOM 0 HH TYR A 150 -5.881 7.107 -10.506 1.00 75.23 H new ATOM 2170 N THR A 151 -5.248 -1.206 -11.311 1.00 51.33 N ATOM 2171 CA THR A 151 -5.202 -2.440 -11.987 1.00 15.52 C ATOM 2172 C THR A 151 -4.998 -2.172 -13.459 1.00 24.34 C ATOM 2173 O THR A 151 -5.820 -1.563 -14.098 1.00 41.31 O ATOM 2174 CB THR A 151 -6.536 -3.151 -11.755 1.00 54.34 C ATOM 2175 OG1 THR A 151 -6.772 -3.191 -10.345 1.00 32.05 O ATOM 2176 CG2 THR A 151 -6.510 -4.561 -12.281 1.00 0.12 C ATOM 0 H THR A 151 -5.983 -0.583 -11.644 1.00 51.33 H new ATOM 0 HA THR A 151 -4.386 -3.064 -11.623 1.00 15.52 H new ATOM 0 HB THR A 151 -7.322 -2.609 -12.281 1.00 54.34 H new ATOM 0 HG1 THR A 151 -7.673 -3.536 -10.174 1.00 32.05 H new ATOM 0 HG21 THR A 151 -7.474 -5.035 -12.099 1.00 0.12 H new ATOM 0 HG22 THR A 151 -6.310 -4.546 -13.352 1.00 0.12 H new ATOM 0 HG23 THR A 151 -5.727 -5.124 -11.773 1.00 0.12 H new ATOM 2182 N LEU A 152 -3.905 -2.603 -13.960 1.00 1.42 N ATOM 2183 CA LEU A 152 -3.555 -2.369 -15.332 1.00 21.10 C ATOM 2184 C LEU A 152 -4.123 -3.491 -16.173 1.00 42.11 C ATOM 2185 O LEU A 152 -5.148 -3.294 -16.839 1.00 38.40 O ATOM 2186 CB LEU A 152 -2.013 -2.290 -15.514 1.00 23.13 C ATOM 2187 CG LEU A 152 -1.246 -1.159 -14.779 1.00 11.12 C ATOM 2188 CD1 LEU A 152 -1.419 -1.263 -13.306 1.00 13.10 C ATOM 2189 CD2 LEU A 152 0.224 -1.233 -15.109 1.00 23.20 C ATOM 2190 OXT LEU A 152 -3.579 -4.606 -16.110 1.00 38.40 O ATOM 0 H LEU A 152 -3.211 -3.135 -13.435 1.00 1.42 H new ATOM 0 HA LEU A 152 -3.972 -1.413 -15.649 1.00 21.10 H new ATOM 0 HB2 LEU A 152 -1.590 -3.242 -15.193 1.00 23.13 H new ATOM 0 HB3 LEU A 152 -1.808 -2.193 -16.580 1.00 23.13 H new ATOM 0 HG LEU A 152 -1.655 -0.206 -15.114 1.00 11.12 H new ATOM 0 HD11 LEU A 152 -0.870 -0.458 -12.817 1.00 13.10 H new ATOM 0 HD12 LEU A 152 -2.477 -1.184 -13.057 1.00 13.10 H new ATOM 0 HD13 LEU A 152 -1.036 -2.224 -12.962 1.00 13.10 H new ATOM 0 HD21 LEU A 152 0.754 -0.435 -14.589 1.00 23.20 H new ATOM 0 HD22 LEU A 152 0.620 -2.198 -14.793 1.00 23.20 H new ATOM 0 HD23 LEU A 152 0.362 -1.119 -16.184 1.00 23.20 H new TER 2198 LEU A 152 HETATM 2199 N1 APR A 186 1.168 0.243 -11.497 1.00 54.12 N HETATM 2200 C2 APR A 186 0.129 -0.418 -10.985 1.00 32.43 C HETATM 2201 N3 APR A 186 0.158 -1.738 -10.849 1.00 64.44 N HETATM 2202 C4 APR A 186 1.227 -2.439 -11.232 1.00 52.23 C HETATM 2203 C5 APR A 186 2.305 -1.800 -11.763 1.00 14.25 C HETATM 2204 C6 APR A 186 2.263 -0.425 -11.895 1.00 62.43 C HETATM 2205 N6 APR A 186 3.292 0.229 -12.407 1.00 43.24 N HETATM 2206 N7 APR A 186 3.220 -2.716 -12.058 1.00 14.51 N HETATM 2207 C8 APR A 186 2.722 -3.912 -11.715 1.00 53.35 C HETATM 2208 N9 APR A 186 1.484 -3.726 -11.208 1.00 1.22 N HETATM 2209 C1' APR A 186 0.515 -4.786 -10.708 1.00 3.22 C HETATM 2210 C2' APR A 186 1.076 -6.213 -10.983 1.00 34.10 C HETATM 2211 O2' APR A 186 0.718 -6.643 -12.256 1.00 12.23 O HETATM 2212 C3' APR A 186 0.356 -7.035 -9.899 1.00 71.12 C HETATM 2213 O3' APR A 186 -0.906 -7.434 -10.335 1.00 62.44 O HETATM 2214 O4' APR A 186 0.274 -4.669 -9.301 1.00 34.12 O HETATM 2215 C4' APR A 186 0.238 -5.998 -8.726 1.00 34.00 C HETATM 2216 C5' APR A 186 1.409 -6.210 -7.723 1.00 64.32 C HETATM 2217 O5' APR A 186 1.170 -7.336 -6.864 1.00 35.02 O HETATM 2218 PA APR A 186 2.267 -7.732 -5.747 1.00 41.11 P HETATM 2219 O1A APR A 186 3.374 -6.741 -5.628 1.00 52.43 O HETATM 2220 O2A APR A 186 2.829 -9.186 -6.138 1.00 35.22 O HETATM 2221 O3A APR A 186 1.486 -7.913 -4.358 1.00 31.25 O HETATM 2222 PB APR A 186 2.303 -8.023 -2.971 1.00 70.31 P HETATM 2223 O1B APR A 186 1.497 -8.559 -1.840 1.00 42.43 O HETATM 2224 O2B APR A 186 2.850 -6.527 -2.628 1.00 2.12 O HETATM 2225 O5D APR A 186 3.609 -8.929 -3.250 1.00 50.42 O HETATM 2226 C5D APR A 186 4.805 -8.721 -2.484 1.00 71.22 C HETATM 2227 O4D APR A 186 6.512 -10.486 -2.792 1.00 4.51 O HETATM 2228 O1D APR A 186 7.830 -8.514 -2.546 1.00 11.32 O HETATM 2229 C1D APR A 186 7.667 -9.922 -2.204 1.00 24.44 C HETATM 2230 O2D APR A 186 7.897 -11.326 -0.228 1.00 5.25 O HETATM 2231 C2D APR A 186 7.480 -10.070 -0.664 1.00 53.54 C HETATM 2232 O3D APR A 186 5.386 -10.841 0.353 1.00 75.53 O HETATM 2233 C3D APR A 186 5.949 -9.917 -0.513 1.00 10.42 C HETATM 2234 C4D APR A 186 5.413 -10.075 -1.994 1.00 71.44 C HETATM 0 HR'4 APR A 186 4.618 -10.818 -2.060 1.00 71.44 H new HETATM 0 HR'3 APR A 186 5.678 -8.962 -0.062 1.00 10.42 H new HETATM 0 HR'2 APR A 186 8.058 -9.354 -0.079 1.00 53.54 H new HETATM 0 HR'1 APR A 186 8.559 -10.432 -2.569 1.00 24.44 H new HETATM 0 HOR3 APR A 186 6.033 -11.553 0.537 1.00 75.53 H new HETATM 0 HOR2 APR A 186 7.675 -11.998 -0.906 1.00 5.25 H new HETATM 0 HOR1 APR A 186 8.714 -8.207 -2.254 1.00 11.32 H new HETATM 0 HO'3 APR A 186 -1.339 -7.969 -9.638 1.00 62.44 H new HETATM 0 HO'2 APR A 186 -0.125 -7.140 -12.208 1.00 12.23 H new HETATM 0 H5R2 APR A 186 5.539 -8.189 -3.090 1.00 71.22 H new HETATM 0 H5R1 APR A 186 4.583 -8.088 -1.625 1.00 71.22 H new HETATM 0 H5'2 APR A 186 2.338 -6.362 -8.273 1.00 64.32 H new HETATM 0 H5'1 APR A 186 1.539 -5.312 -7.119 1.00 64.32 H new HETATM 0 H8 APR A 186 3.229 -4.870 -11.826 1.00 53.35 H new HETATM 0 H62 APR A 186 4.122 -0.282 -12.708 1.00 43.24 H new HETATM 0 H61 APR A 186 3.256 1.244 -12.501 1.00 43.24 H new HETATM 0 H2 APR A 186 -0.758 0.134 -10.673 1.00 32.43 H new HETATM 0 H'4 APR A 186 -0.695 -6.130 -8.179 1.00 34.00 H new HETATM 0 H'3 APR A 186 0.875 -7.954 -9.626 1.00 71.12 H new HETATM 0 H'2 APR A 186 2.163 -6.286 -10.948 1.00 34.10 H new HETATM 0 H'1 APR A 186 -0.420 -4.631 -11.246 1.00 3.22 H new