USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1052 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 SER OG : rot 90:sc= 0.987 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 151:sc= 0.973 (180deg=-0.752) USER MOD Set 2.1: A 68 THR OG1 : rot 45:sc= 0.034 USER MOD Set 2.2: A 71 ASN : amide:sc= -8.25! C(o=-8.2!,f=-18!) USER MOD Set 3.1: A 53 TYR OH : rot 52:sc= 2.08 USER MOD Set 3.2: A 111 HIS : no HE2:sc= 0.479 K(o=2.6,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ -162:sc= 0 (180deg=-0.106) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 134:sc= -0.0245 (180deg=-0.176) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 127:sc= 1.18 (180deg=-0.902) USER MOD Single : A 50 LYS NZ :NH3+ -107:sc= 0.99! (180deg=0.431) USER MOD Single : A 52 THR OG1 : rot 159:sc= 1.28 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 97:sc= 1.28 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= 1.35 (180deg=0.46) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0432 (180deg=-0.366) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc=-0.00474 (180deg=-0.0968) USER MOD Single : A 76 MET CE :methyl -179:sc= -0.746 (180deg=-0.755) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.603) USER MOD Single : A 80 LYS NZ :NH3+ 156:sc= -1.58! (180deg=-2.72!) USER MOD Single : A 83 ASN : amide:sc= -1.19! K(o=-1.2!,f=-0.016) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 88 LYS NZ :NH3+ 146:sc= 0.121 (180deg=-1.04) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.9!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0.687 (180deg=0.687) USER MOD Single : A 120 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-3.1!) USER MOD Single : A 129 HIS : no HD1:sc= -0.706 X(o=-0.71,f=-0.77) USER MOD Single : A 134 SER OG : rot 165:sc= 0.925 USER MOD Single : A 135 LYS NZ :NH3+ -134:sc= 0.778 (180deg=-2.39!) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.830 33.592 17.983 1.00 42.19 N ATOM 2 CA GLY A 1 -27.147 32.154 17.806 1.00 42.07 C ATOM 3 C GLY A 1 -26.564 31.570 16.528 1.00 41.76 C ATOM 4 O GLY A 1 -25.603 30.802 16.586 1.00 41.66 O ATOM 0 H1 GLY A 1 -26.975 33.860 18.977 1.00 42.19 H new ATOM 0 H2 GLY A 1 -25.839 33.764 17.720 1.00 42.19 H new ATOM 0 H3 GLY A 1 -27.453 34.162 17.376 1.00 42.19 H new ATOM 0 HA2 GLY A 1 -26.766 31.596 18.661 1.00 42.07 H new ATOM 0 HA3 GLY A 1 -28.229 32.024 17.798 1.00 42.07 H new ATOM 10 N PRO A 2 -27.138 31.910 15.351 1.00 41.67 N ATOM 11 CA PRO A 2 -26.705 31.356 14.057 1.00 41.44 C ATOM 12 C PRO A 2 -25.244 31.662 13.727 1.00 41.34 C ATOM 13 O PRO A 2 -24.475 30.758 13.387 1.00 40.87 O ATOM 14 CB PRO A 2 -27.637 32.034 13.040 1.00 41.46 C ATOM 15 CG PRO A 2 -28.815 32.473 13.834 1.00 41.65 C ATOM 16 CD PRO A 2 -28.277 32.831 15.188 1.00 41.84 C ATOM 0 HA PRO A 2 -26.764 30.268 14.056 1.00 41.44 H new ATOM 0 HB2 PRO A 2 -27.147 32.881 12.559 1.00 41.46 H new ATOM 0 HB3 PRO A 2 -27.929 31.343 12.249 1.00 41.46 H new ATOM 0 HG2 PRO A 2 -29.305 33.328 13.368 1.00 41.65 H new ATOM 0 HG3 PRO A 2 -29.558 31.679 13.905 1.00 41.65 H new ATOM 0 HD2 PRO A 2 -27.962 33.873 15.233 1.00 41.84 H new ATOM 0 HD3 PRO A 2 -29.024 32.690 15.969 1.00 41.84 H new ATOM 24 N LEU A 3 -24.857 32.928 13.835 1.00 41.84 N ATOM 25 CA LEU A 3 -23.495 33.335 13.517 1.00 41.87 C ATOM 26 C LEU A 3 -22.508 32.710 14.492 1.00 41.68 C ATOM 27 O LEU A 3 -22.815 32.518 15.672 1.00 41.95 O ATOM 28 CB LEU A 3 -23.372 34.869 13.484 1.00 42.57 C ATOM 29 CG LEU A 3 -23.994 35.639 14.654 1.00 43.04 C ATOM 30 CD1 LEU A 3 -23.071 35.649 15.862 1.00 43.15 C ATOM 31 CD2 LEU A 3 -24.324 37.058 14.219 1.00 43.41 C ATOM 0 H LEU A 3 -25.466 33.688 14.139 1.00 41.84 H new ATOM 0 HA LEU A 3 -23.249 32.970 12.520 1.00 41.87 H new ATOM 0 HB2 LEU A 3 -22.313 35.124 13.435 1.00 42.57 H new ATOM 0 HB3 LEU A 3 -23.829 35.226 12.561 1.00 42.57 H new ATOM 0 HG LEU A 3 -24.914 35.134 14.949 1.00 43.04 H new ATOM 0 HD11 LEU A 3 -23.541 36.203 16.675 1.00 43.15 H new ATOM 0 HD12 LEU A 3 -22.881 34.625 16.183 1.00 43.15 H new ATOM 0 HD13 LEU A 3 -22.128 36.126 15.595 1.00 43.15 H new ATOM 0 HD21 LEU A 3 -24.766 37.601 15.054 1.00 43.41 H new ATOM 0 HD22 LEU A 3 -23.412 37.562 13.900 1.00 43.41 H new ATOM 0 HD23 LEU A 3 -25.031 37.029 13.390 1.00 43.41 H new ATOM 43 N GLY A 4 -21.344 32.354 13.981 1.00 41.27 N ATOM 44 CA GLY A 4 -20.384 31.609 14.763 1.00 41.12 C ATOM 45 C GLY A 4 -20.268 30.197 14.241 1.00 40.49 C ATOM 46 O GLY A 4 -19.221 29.558 14.356 1.00 40.38 O ATOM 0 H GLY A 4 -21.044 32.570 13.030 1.00 41.27 H new ATOM 0 HA2 GLY A 4 -19.412 32.100 14.723 1.00 41.12 H new ATOM 0 HA3 GLY A 4 -20.690 31.594 15.809 1.00 41.12 H new ATOM 50 N SER A 5 -21.356 29.722 13.653 1.00 40.15 N ATOM 51 CA SER A 5 -21.389 28.408 13.038 1.00 39.60 C ATOM 52 C SER A 5 -20.982 28.514 11.572 1.00 38.96 C ATOM 53 O SER A 5 -21.659 29.169 10.776 1.00 38.91 O ATOM 54 CB SER A 5 -22.799 27.817 13.162 1.00 39.66 C ATOM 55 OG SER A 5 -23.252 27.883 14.506 1.00 39.71 O ATOM 0 H SER A 5 -22.235 30.235 13.590 1.00 40.15 H new ATOM 0 HA SER A 5 -20.686 27.749 13.548 1.00 39.60 H new ATOM 0 HB2 SER A 5 -23.486 28.362 12.514 1.00 39.66 H new ATOM 0 HB3 SER A 5 -22.796 26.781 12.824 1.00 39.66 H new ATOM 0 HG SER A 5 -24.153 27.503 14.566 1.00 39.71 H new ATOM 61 N GLU A 6 -19.865 27.895 11.222 1.00 38.55 N ATOM 62 CA GLU A 6 -19.354 27.970 9.861 1.00 37.99 C ATOM 63 C GLU A 6 -19.890 26.836 8.994 1.00 37.51 C ATOM 64 O GLU A 6 -19.850 25.666 9.386 1.00 37.44 O ATOM 65 CB GLU A 6 -17.827 27.959 9.870 1.00 37.87 C ATOM 66 CG GLU A 6 -17.229 29.232 10.447 1.00 38.27 C ATOM 67 CD GLU A 6 -17.623 30.464 9.658 1.00 38.50 C ATOM 68 OE1 GLU A 6 -18.741 30.985 9.874 1.00 38.56 O ATOM 69 OE2 GLU A 6 -16.816 30.920 8.819 1.00 38.67 O ATOM 0 H GLU A 6 -19.296 27.337 11.859 1.00 38.55 H new ATOM 0 HA GLU A 6 -19.701 28.907 9.426 1.00 37.99 H new ATOM 0 HB2 GLU A 6 -17.478 27.105 10.450 1.00 37.87 H new ATOM 0 HB3 GLU A 6 -17.464 27.822 8.851 1.00 37.87 H new ATOM 0 HG2 GLU A 6 -17.554 29.347 11.481 1.00 38.27 H new ATOM 0 HG3 GLU A 6 -16.143 29.146 10.462 1.00 38.27 H new ATOM 76 N SER A 7 -20.412 27.193 7.829 1.00 37.24 N ATOM 77 CA SER A 7 -20.881 26.212 6.871 1.00 36.83 C ATOM 78 C SER A 7 -19.725 25.798 5.973 1.00 36.34 C ATOM 79 O SER A 7 -19.231 26.596 5.175 1.00 36.22 O ATOM 80 CB SER A 7 -22.025 26.793 6.037 1.00 36.87 C ATOM 81 OG SER A 7 -22.560 25.829 5.145 1.00 36.87 O ATOM 0 H SER A 7 -20.520 28.161 7.527 1.00 37.24 H new ATOM 0 HA SER A 7 -21.256 25.336 7.400 1.00 36.83 H new ATOM 0 HB2 SER A 7 -22.812 27.154 6.699 1.00 36.87 H new ATOM 0 HB3 SER A 7 -21.665 27.653 5.472 1.00 36.87 H new ATOM 0 HG SER A 7 -23.289 26.231 4.628 1.00 36.87 H new ATOM 87 N LEU A 8 -19.277 24.560 6.129 1.00 36.13 N ATOM 88 CA LEU A 8 -18.130 24.063 5.388 1.00 35.73 C ATOM 89 C LEU A 8 -18.573 23.232 4.186 1.00 35.30 C ATOM 90 O LEU A 8 -19.061 22.109 4.342 1.00 35.28 O ATOM 91 CB LEU A 8 -17.238 23.220 6.305 1.00 35.83 C ATOM 92 CG LEU A 8 -15.948 22.686 5.672 1.00 36.15 C ATOM 93 CD1 LEU A 8 -15.026 23.832 5.293 1.00 36.22 C ATOM 94 CD2 LEU A 8 -15.247 21.730 6.624 1.00 36.32 C ATOM 0 H LEU A 8 -19.694 23.880 6.765 1.00 36.13 H new ATOM 0 HA LEU A 8 -17.564 24.920 5.022 1.00 35.73 H new ATOM 0 HB2 LEU A 8 -16.972 23.821 7.175 1.00 35.83 H new ATOM 0 HB3 LEU A 8 -17.820 22.373 6.668 1.00 35.83 H new ATOM 0 HG LEU A 8 -16.208 22.141 4.765 1.00 36.15 H new ATOM 0 HD11 LEU A 8 -14.116 23.434 4.845 1.00 36.22 H new ATOM 0 HD12 LEU A 8 -15.529 24.482 4.576 1.00 36.22 H new ATOM 0 HD13 LEU A 8 -14.771 24.404 6.185 1.00 36.22 H new ATOM 0 HD21 LEU A 8 -14.333 21.360 6.160 1.00 36.32 H new ATOM 0 HD22 LEU A 8 -14.999 22.253 7.548 1.00 36.32 H new ATOM 0 HD23 LEU A 8 -15.906 20.891 6.848 1.00 36.32 H new ATOM 106 N MET A 9 -18.411 23.795 2.997 1.00 35.03 N ATOM 107 CA MET A 9 -18.715 23.089 1.757 1.00 34.68 C ATOM 108 C MET A 9 -17.449 22.456 1.193 1.00 34.45 C ATOM 109 O MET A 9 -16.503 23.156 0.837 1.00 34.50 O ATOM 110 CB MET A 9 -19.340 24.034 0.724 1.00 34.61 C ATOM 111 CG MET A 9 -20.734 24.511 1.093 1.00 34.75 C ATOM 112 SD MET A 9 -21.922 23.158 1.206 1.00 34.63 S ATOM 113 CE MET A 9 -23.414 24.062 1.627 1.00 34.81 C ATOM 0 H MET A 9 -18.068 24.746 2.863 1.00 35.03 H new ATOM 0 HA MET A 9 -19.438 22.305 1.979 1.00 34.68 H new ATOM 0 HB2 MET A 9 -18.691 24.901 0.599 1.00 34.61 H new ATOM 0 HB3 MET A 9 -19.383 23.526 -0.240 1.00 34.61 H new ATOM 0 HG2 MET A 9 -20.694 25.035 2.048 1.00 34.75 H new ATOM 0 HG3 MET A 9 -21.077 25.230 0.349 1.00 34.75 H new ATOM 0 HE1 MET A 9 -24.245 23.364 1.733 1.00 34.81 H new ATOM 0 HE2 MET A 9 -23.265 24.593 2.567 1.00 34.81 H new ATOM 0 HE3 MET A 9 -23.640 24.779 0.837 1.00 34.81 H new ATOM 123 N PRO A 10 -17.415 21.117 1.120 1.00 34.29 N ATOM 124 CA PRO A 10 -16.242 20.375 0.647 1.00 34.15 C ATOM 125 C PRO A 10 -15.885 20.692 -0.802 1.00 34.01 C ATOM 126 O PRO A 10 -14.712 20.676 -1.178 1.00 34.16 O ATOM 127 CB PRO A 10 -16.661 18.908 0.770 1.00 34.05 C ATOM 128 CG PRO A 10 -17.816 18.909 1.709 1.00 34.20 C ATOM 129 CD PRO A 10 -18.515 20.219 1.501 1.00 34.31 C ATOM 0 HA PRO A 10 -15.355 20.634 1.225 1.00 34.15 H new ATOM 0 HB2 PRO A 10 -16.942 18.496 -0.199 1.00 34.05 H new ATOM 0 HB3 PRO A 10 -15.844 18.296 1.152 1.00 34.05 H new ATOM 0 HG2 PRO A 10 -18.485 18.073 1.506 1.00 34.20 H new ATOM 0 HG3 PRO A 10 -17.480 18.805 2.741 1.00 34.20 H new ATOM 0 HD2 PRO A 10 -19.273 20.154 0.720 1.00 34.31 H new ATOM 0 HD3 PRO A 10 -19.018 20.557 2.407 1.00 34.31 H new ATOM 137 N SER A 11 -16.896 20.981 -1.611 1.00 33.80 N ATOM 138 CA SER A 11 -16.685 21.244 -3.023 1.00 33.74 C ATOM 139 C SER A 11 -17.115 22.665 -3.378 1.00 33.54 C ATOM 140 O SER A 11 -18.298 22.939 -3.586 1.00 33.25 O ATOM 141 CB SER A 11 -17.450 20.218 -3.867 1.00 33.66 C ATOM 142 OG SER A 11 -16.954 20.161 -5.194 1.00 33.75 O ATOM 0 H SER A 11 -17.869 21.039 -1.311 1.00 33.80 H new ATOM 0 HA SER A 11 -15.621 21.152 -3.241 1.00 33.74 H new ATOM 0 HB2 SER A 11 -17.370 19.234 -3.405 1.00 33.66 H new ATOM 0 HB3 SER A 11 -18.509 20.477 -3.884 1.00 33.66 H new ATOM 0 HG SER A 11 -17.462 19.496 -5.705 1.00 33.75 H new ATOM 148 N GLN A 12 -16.149 23.570 -3.394 1.00 33.76 N ATOM 149 CA GLN A 12 -16.386 24.952 -3.772 1.00 33.69 C ATOM 150 C GLN A 12 -15.214 25.446 -4.617 1.00 33.80 C ATOM 151 O GLN A 12 -14.195 25.895 -4.088 1.00 34.18 O ATOM 152 CB GLN A 12 -16.565 25.825 -2.520 1.00 33.91 C ATOM 153 CG GLN A 12 -16.805 27.299 -2.818 1.00 34.14 C ATOM 154 CD GLN A 12 -16.963 28.131 -1.556 1.00 34.39 C ATOM 155 OE1 GLN A 12 -18.074 28.344 -1.070 1.00 34.47 O ATOM 156 NE2 GLN A 12 -15.848 28.586 -1.007 1.00 34.58 N ATOM 0 H GLN A 12 -15.181 23.367 -3.146 1.00 33.76 H new ATOM 0 HA GLN A 12 -17.302 25.020 -4.359 1.00 33.69 H new ATOM 0 HB2 GLN A 12 -17.404 25.441 -1.940 1.00 33.91 H new ATOM 0 HB3 GLN A 12 -15.677 25.732 -1.895 1.00 33.91 H new ATOM 0 HG2 GLN A 12 -15.972 27.688 -3.404 1.00 34.14 H new ATOM 0 HG3 GLN A 12 -17.701 27.401 -3.431 1.00 34.14 H new ATOM 0 HE21 GLN A 12 -14.947 28.387 -1.442 1.00 34.58 H new ATOM 0 HE22 GLN A 12 -15.890 29.136 -0.149 1.00 34.58 H new ATOM 165 N VAL A 13 -15.348 25.327 -5.932 1.00 33.54 N ATOM 166 CA VAL A 13 -14.260 25.660 -6.843 1.00 33.70 C ATOM 167 C VAL A 13 -14.336 27.124 -7.247 1.00 33.82 C ATOM 168 O VAL A 13 -15.195 27.519 -8.039 1.00 33.61 O ATOM 169 CB VAL A 13 -14.289 24.771 -8.104 1.00 33.45 C ATOM 170 CG1 VAL A 13 -13.105 25.077 -9.016 1.00 33.54 C ATOM 171 CG2 VAL A 13 -14.301 23.302 -7.713 1.00 33.20 C ATOM 0 H VAL A 13 -16.199 25.003 -6.391 1.00 33.54 H new ATOM 0 HA VAL A 13 -13.323 25.478 -6.317 1.00 33.70 H new ATOM 0 HB VAL A 13 -15.202 24.991 -8.657 1.00 33.45 H new ATOM 0 HG11 VAL A 13 -13.149 24.437 -9.897 1.00 33.54 H new ATOM 0 HG12 VAL A 13 -13.144 26.122 -9.324 1.00 33.54 H new ATOM 0 HG13 VAL A 13 -12.175 24.891 -8.479 1.00 33.54 H new ATOM 0 HG21 VAL A 13 -14.321 22.686 -8.612 1.00 33.20 H new ATOM 0 HG22 VAL A 13 -13.405 23.072 -7.136 1.00 33.20 H new ATOM 0 HG23 VAL A 13 -15.185 23.093 -7.110 1.00 33.20 H new ATOM 181 N VAL A 14 -13.450 27.931 -6.685 1.00 34.23 N ATOM 182 CA VAL A 14 -13.455 29.363 -6.942 1.00 34.47 C ATOM 183 C VAL A 14 -12.212 29.799 -7.712 1.00 34.64 C ATOM 184 O VAL A 14 -11.100 29.785 -7.180 1.00 34.98 O ATOM 185 CB VAL A 14 -13.545 30.176 -5.632 1.00 34.94 C ATOM 186 CG1 VAL A 14 -13.601 31.666 -5.925 1.00 35.10 C ATOM 187 CG2 VAL A 14 -14.752 29.748 -4.815 1.00 35.04 C ATOM 0 H VAL A 14 -12.718 27.619 -6.047 1.00 34.23 H new ATOM 0 HA VAL A 14 -14.339 29.563 -7.547 1.00 34.47 H new ATOM 0 HB VAL A 14 -12.647 29.976 -5.048 1.00 34.94 H new ATOM 0 HG11 VAL A 14 -13.664 32.219 -4.988 1.00 35.10 H new ATOM 0 HG12 VAL A 14 -12.701 31.965 -6.463 1.00 35.10 H new ATOM 0 HG13 VAL A 14 -14.478 31.884 -6.535 1.00 35.10 H new ATOM 0 HG21 VAL A 14 -14.796 30.333 -3.897 1.00 35.04 H new ATOM 0 HG22 VAL A 14 -15.660 29.913 -5.394 1.00 35.04 H new ATOM 0 HG23 VAL A 14 -14.667 28.690 -4.567 1.00 35.04 H new ATOM 197 N LYS A 15 -12.412 30.157 -8.971 1.00 34.47 N ATOM 198 CA LYS A 15 -11.368 30.768 -9.779 1.00 34.70 C ATOM 199 C LYS A 15 -11.899 32.069 -10.374 1.00 35.14 C ATOM 200 O LYS A 15 -12.815 32.059 -11.197 1.00 35.00 O ATOM 201 CB LYS A 15 -10.885 29.825 -10.893 1.00 34.32 C ATOM 202 CG LYS A 15 -10.214 28.554 -10.388 1.00 34.20 C ATOM 203 CD LYS A 15 -9.344 27.915 -11.461 1.00 33.99 C ATOM 204 CE LYS A 15 -10.149 27.483 -12.677 1.00 34.16 C ATOM 205 NZ LYS A 15 -9.271 26.946 -13.749 1.00 34.21 N ATOM 0 H LYS A 15 -13.299 30.033 -9.460 1.00 34.47 H new ATOM 0 HA LYS A 15 -10.509 30.975 -9.140 1.00 34.70 H new ATOM 0 HB2 LYS A 15 -11.736 29.550 -11.516 1.00 34.32 H new ATOM 0 HB3 LYS A 15 -10.184 30.364 -11.531 1.00 34.32 H new ATOM 0 HG2 LYS A 15 -9.604 28.786 -9.515 1.00 34.20 H new ATOM 0 HG3 LYS A 15 -10.975 27.844 -10.065 1.00 34.20 H new ATOM 0 HD2 LYS A 15 -8.575 28.622 -11.770 1.00 33.99 H new ATOM 0 HD3 LYS A 15 -8.831 27.049 -11.042 1.00 33.99 H new ATOM 0 HE2 LYS A 15 -10.873 26.723 -12.384 1.00 34.16 H new ATOM 0 HE3 LYS A 15 -10.715 28.332 -13.060 1.00 34.16 H new ATOM 0 HZ1 LYS A 15 -9.676 26.062 -14.119 1.00 34.21 H new ATOM 0 HZ2 LYS A 15 -9.197 27.642 -14.518 1.00 34.21 H new ATOM 0 HZ3 LYS A 15 -8.325 26.758 -13.361 1.00 34.21 H new ATOM 219 N GLY A 16 -11.340 33.184 -9.933 1.00 35.76 N ATOM 220 CA GLY A 16 -11.834 34.478 -10.354 1.00 36.30 C ATOM 221 C GLY A 16 -11.116 35.001 -11.577 1.00 36.44 C ATOM 222 O GLY A 16 -9.964 35.430 -11.493 1.00 36.61 O ATOM 0 H GLY A 16 -10.550 33.216 -9.289 1.00 35.76 H new ATOM 0 HA2 GLY A 16 -12.901 34.405 -10.566 1.00 36.30 H new ATOM 0 HA3 GLY A 16 -11.720 35.190 -9.537 1.00 36.30 H new ATOM 226 N GLY A 17 -11.793 34.942 -12.715 1.00 36.42 N ATOM 227 CA GLY A 17 -11.228 35.455 -13.951 1.00 36.64 C ATOM 228 C GLY A 17 -10.211 34.509 -14.564 1.00 36.05 C ATOM 229 O GLY A 17 -9.571 34.842 -15.561 1.00 36.21 O ATOM 0 H GLY A 17 -12.729 34.546 -12.806 1.00 36.42 H new ATOM 0 HA2 GLY A 17 -12.031 35.633 -14.667 1.00 36.64 H new ATOM 0 HA3 GLY A 17 -10.754 36.417 -13.758 1.00 36.64 H new ATOM 233 N ALA A 18 -10.072 33.332 -13.976 1.00 35.42 N ATOM 234 CA ALA A 18 -9.082 32.366 -14.426 1.00 34.89 C ATOM 235 C ALA A 18 -9.640 31.476 -15.531 1.00 34.61 C ATOM 236 O ALA A 18 -10.448 30.582 -15.273 1.00 34.46 O ATOM 237 CB ALA A 18 -8.600 31.528 -13.254 1.00 34.46 C ATOM 0 H ALA A 18 -10.634 33.021 -13.183 1.00 35.42 H new ATOM 0 HA ALA A 18 -8.235 32.913 -14.840 1.00 34.89 H new ATOM 0 HB1 ALA A 18 -7.859 30.808 -13.602 1.00 34.46 H new ATOM 0 HB2 ALA A 18 -8.150 32.177 -12.503 1.00 34.46 H new ATOM 0 HB3 ALA A 18 -9.444 30.996 -12.815 1.00 34.46 H new ATOM 243 N PHE A 19 -9.219 31.742 -16.760 1.00 34.63 N ATOM 244 CA PHE A 19 -9.661 30.964 -17.912 1.00 34.46 C ATOM 245 C PHE A 19 -8.869 29.670 -18.014 1.00 33.97 C ATOM 246 O PHE A 19 -7.669 29.642 -17.737 1.00 33.93 O ATOM 247 CB PHE A 19 -9.513 31.773 -19.201 1.00 34.87 C ATOM 248 CG PHE A 19 -10.467 32.929 -19.291 1.00 35.13 C ATOM 249 CD1 PHE A 19 -11.778 32.731 -19.692 1.00 35.12 C ATOM 250 CD2 PHE A 19 -10.052 34.212 -18.973 1.00 35.46 C ATOM 251 CE1 PHE A 19 -12.658 33.793 -19.777 1.00 35.44 C ATOM 252 CE2 PHE A 19 -10.928 35.277 -19.058 1.00 35.77 C ATOM 253 CZ PHE A 19 -12.233 35.067 -19.460 1.00 35.77 C ATOM 0 H PHE A 19 -8.569 32.494 -16.987 1.00 34.63 H new ATOM 0 HA PHE A 19 -10.715 30.722 -17.774 1.00 34.46 H new ATOM 0 HB2 PHE A 19 -8.492 32.148 -19.271 1.00 34.87 H new ATOM 0 HB3 PHE A 19 -9.670 31.114 -20.055 1.00 34.87 H new ATOM 0 HD1 PHE A 19 -12.116 31.736 -19.941 1.00 35.12 H new ATOM 0 HD2 PHE A 19 -9.034 34.381 -18.656 1.00 35.46 H new ATOM 0 HE1 PHE A 19 -13.678 33.626 -20.091 1.00 35.44 H new ATOM 0 HE2 PHE A 19 -10.593 36.273 -18.810 1.00 35.77 H new ATOM 0 HZ PHE A 19 -12.919 35.898 -19.526 1.00 35.77 H new ATOM 263 N ASP A 20 -9.545 28.595 -18.400 1.00 33.67 N ATOM 264 CA ASP A 20 -8.908 27.286 -18.485 1.00 33.27 C ATOM 265 C ASP A 20 -9.026 26.735 -19.901 1.00 33.26 C ATOM 266 O ASP A 20 -10.001 27.015 -20.601 1.00 33.32 O ATOM 267 CB ASP A 20 -9.558 26.319 -17.491 1.00 32.91 C ATOM 268 CG ASP A 20 -8.604 25.248 -16.998 1.00 32.70 C ATOM 269 OD1 ASP A 20 -7.980 24.561 -17.827 1.00 32.45 O ATOM 270 OD2 ASP A 20 -8.471 25.101 -15.765 1.00 32.86 O ATOM 0 H ASP A 20 -10.532 28.603 -18.659 1.00 33.67 H new ATOM 0 HA ASP A 20 -7.852 27.393 -18.236 1.00 33.27 H new ATOM 0 HB2 ASP A 20 -9.935 26.883 -16.638 1.00 32.91 H new ATOM 0 HB3 ASP A 20 -10.417 25.843 -17.964 1.00 32.91 H new ATOM 275 N GLY A 21 -8.044 25.950 -20.313 1.00 33.27 N ATOM 276 CA GLY A 21 -8.012 25.462 -21.676 1.00 33.35 C ATOM 277 C GLY A 21 -8.614 24.078 -21.813 1.00 32.96 C ATOM 278 O GLY A 21 -8.096 23.112 -21.254 1.00 32.93 O ATOM 0 H GLY A 21 -7.267 25.641 -19.728 1.00 33.27 H new ATOM 0 HA2 GLY A 21 -8.554 26.155 -22.319 1.00 33.35 H new ATOM 0 HA3 GLY A 21 -6.980 25.442 -22.027 1.00 33.35 H new ATOM 282 N THR A 22 -9.705 23.985 -22.555 1.00 32.73 N ATOM 283 CA THR A 22 -10.383 22.717 -22.774 1.00 32.43 C ATOM 284 C THR A 22 -9.815 21.996 -23.998 1.00 32.62 C ATOM 285 O THR A 22 -9.983 22.444 -25.135 1.00 32.89 O ATOM 286 CB THR A 22 -11.900 22.932 -22.946 1.00 32.23 C ATOM 287 OG1 THR A 22 -12.143 24.134 -23.686 1.00 32.26 O ATOM 288 CG2 THR A 22 -12.595 23.016 -21.594 1.00 32.08 C ATOM 0 H THR A 22 -10.144 24.780 -23.020 1.00 32.73 H new ATOM 0 HA THR A 22 -10.214 22.094 -21.896 1.00 32.43 H new ATOM 0 HB THR A 22 -12.304 22.079 -23.491 1.00 32.23 H new ATOM 0 HG1 THR A 22 -13.109 24.263 -23.793 1.00 32.26 H new ATOM 0 HG21 THR A 22 -13.664 23.168 -21.743 1.00 32.08 H new ATOM 0 HG22 THR A 22 -12.433 22.089 -21.044 1.00 32.08 H new ATOM 0 HG23 THR A 22 -12.186 23.851 -21.026 1.00 32.08 H new ATOM 296 N MET A 23 -9.133 20.879 -23.758 1.00 32.58 N ATOM 297 CA MET A 23 -8.486 20.125 -24.829 1.00 32.83 C ATOM 298 C MET A 23 -9.502 19.526 -25.792 1.00 32.76 C ATOM 299 O MET A 23 -10.477 18.900 -25.376 1.00 32.54 O ATOM 300 CB MET A 23 -7.615 19.011 -24.253 1.00 33.02 C ATOM 301 CG MET A 23 -6.373 19.529 -23.559 1.00 33.05 C ATOM 302 SD MET A 23 -5.239 18.208 -23.097 1.00 33.43 S ATOM 303 CE MET A 23 -3.877 19.182 -22.467 1.00 33.50 C ATOM 0 H MET A 23 -9.014 20.475 -22.829 1.00 32.58 H new ATOM 0 HA MET A 23 -7.862 20.827 -25.382 1.00 32.83 H new ATOM 0 HB2 MET A 23 -8.203 18.427 -23.545 1.00 33.02 H new ATOM 0 HB3 MET A 23 -7.321 18.336 -25.056 1.00 33.02 H new ATOM 0 HG2 MET A 23 -5.860 20.231 -24.216 1.00 33.05 H new ATOM 0 HG3 MET A 23 -6.664 20.083 -22.666 1.00 33.05 H new ATOM 0 HE1 MET A 23 -3.079 18.519 -22.134 1.00 33.50 H new ATOM 0 HE2 MET A 23 -3.501 19.835 -23.255 1.00 33.50 H new ATOM 0 HE3 MET A 23 -4.220 19.787 -21.628 1.00 33.50 H new ATOM 313 N ASN A 24 -9.272 19.725 -27.077 1.00 33.04 N ATOM 314 CA ASN A 24 -10.095 19.111 -28.107 1.00 33.09 C ATOM 315 C ASN A 24 -9.232 18.196 -28.968 1.00 33.28 C ATOM 316 O ASN A 24 -8.075 18.509 -29.261 1.00 33.55 O ATOM 317 CB ASN A 24 -10.789 20.179 -28.966 1.00 33.42 C ATOM 318 CG ASN A 24 -9.808 21.066 -29.705 1.00 33.67 C ATOM 319 OD1 ASN A 24 -9.317 22.053 -29.162 1.00 33.88 O ATOM 320 ND2 ASN A 24 -9.523 20.730 -30.954 1.00 33.72 N ATOM 0 H ASN A 24 -8.518 20.311 -27.435 1.00 33.04 H new ATOM 0 HA ASN A 24 -10.875 18.518 -27.630 1.00 33.09 H new ATOM 0 HB2 ASN A 24 -11.444 19.690 -29.687 1.00 33.42 H new ATOM 0 HB3 ASN A 24 -11.422 20.797 -28.329 1.00 33.42 H new ATOM 0 HD21 ASN A 24 -8.875 21.298 -31.500 1.00 33.72 H new ATOM 0 HD22 ASN A 24 -9.951 19.903 -31.370 1.00 33.72 H new ATOM 327 N GLY A 25 -9.779 17.047 -29.334 1.00 33.20 N ATOM 328 CA GLY A 25 -9.030 16.085 -30.122 1.00 33.45 C ATOM 329 C GLY A 25 -8.846 14.725 -29.442 1.00 33.20 C ATOM 330 O GLY A 25 -8.785 13.713 -30.141 1.00 33.41 O ATOM 0 H GLY A 25 -10.730 16.761 -29.100 1.00 33.20 H new ATOM 0 HA2 GLY A 25 -9.539 15.937 -31.074 1.00 33.45 H new ATOM 0 HA3 GLY A 25 -8.048 16.502 -30.347 1.00 33.45 H new ATOM 334 N PRO A 26 -8.737 14.637 -28.094 1.00 32.82 N ATOM 335 CA PRO A 26 -8.799 13.349 -27.400 1.00 32.65 C ATOM 336 C PRO A 26 -10.209 12.771 -27.431 1.00 32.53 C ATOM 337 O PRO A 26 -11.173 13.436 -27.037 1.00 32.48 O ATOM 338 CB PRO A 26 -8.393 13.676 -25.956 1.00 32.38 C ATOM 339 CG PRO A 26 -7.779 15.032 -26.017 1.00 32.41 C ATOM 340 CD PRO A 26 -8.462 15.733 -27.152 1.00 32.65 C ATOM 0 HA PRO A 26 -8.154 12.604 -27.866 1.00 32.65 H new ATOM 0 HB2 PRO A 26 -9.258 13.665 -25.292 1.00 32.38 H new ATOM 0 HB3 PRO A 26 -7.686 12.941 -25.570 1.00 32.38 H new ATOM 0 HG2 PRO A 26 -7.923 15.570 -25.080 1.00 32.41 H new ATOM 0 HG3 PRO A 26 -6.704 14.968 -26.186 1.00 32.41 H new ATOM 0 HD2 PRO A 26 -9.378 16.228 -26.829 1.00 32.65 H new ATOM 0 HD3 PRO A 26 -7.826 16.498 -27.596 1.00 32.65 H new ATOM 348 N PHE A 27 -10.334 11.550 -27.927 1.00 32.56 N ATOM 349 CA PHE A 27 -11.619 10.874 -27.968 1.00 32.53 C ATOM 350 C PHE A 27 -11.726 9.891 -26.812 1.00 31.97 C ATOM 351 O PHE A 27 -11.013 8.886 -26.769 1.00 31.89 O ATOM 352 CB PHE A 27 -11.798 10.141 -29.296 1.00 33.05 C ATOM 353 CG PHE A 27 -11.695 11.044 -30.499 1.00 33.43 C ATOM 354 CD1 PHE A 27 -12.672 11.994 -30.754 1.00 33.85 C ATOM 355 CD2 PHE A 27 -10.625 10.937 -31.374 1.00 33.44 C ATOM 356 CE1 PHE A 27 -12.579 12.824 -31.858 1.00 34.28 C ATOM 357 CE2 PHE A 27 -10.530 11.765 -32.477 1.00 33.87 C ATOM 358 CZ PHE A 27 -11.510 12.708 -32.721 1.00 34.29 C ATOM 0 H PHE A 27 -9.559 11.007 -28.307 1.00 32.56 H new ATOM 0 HA PHE A 27 -12.407 11.621 -27.876 1.00 32.53 H new ATOM 0 HB2 PHE A 27 -11.044 9.357 -29.374 1.00 33.05 H new ATOM 0 HB3 PHE A 27 -12.771 9.649 -29.303 1.00 33.05 H new ATOM 0 HD1 PHE A 27 -13.514 12.087 -30.084 1.00 33.85 H new ATOM 0 HD2 PHE A 27 -9.858 10.199 -31.192 1.00 33.44 H new ATOM 0 HE1 PHE A 27 -13.344 13.563 -32.043 1.00 34.28 H new ATOM 0 HE2 PHE A 27 -9.689 11.675 -33.149 1.00 33.87 H new ATOM 0 HZ PHE A 27 -11.439 13.352 -33.585 1.00 34.29 H new ATOM 368 N GLY A 28 -12.604 10.196 -25.868 1.00 31.66 N ATOM 369 CA GLY A 28 -12.782 9.328 -24.728 1.00 31.19 C ATOM 370 C GLY A 28 -13.622 8.115 -25.065 1.00 30.74 C ATOM 371 O GLY A 28 -14.433 8.153 -25.992 1.00 30.73 O ATOM 0 H GLY A 28 -13.194 11.028 -25.873 1.00 31.66 H new ATOM 0 HA2 GLY A 28 -11.807 9.004 -24.363 1.00 31.19 H new ATOM 0 HA3 GLY A 28 -13.256 9.884 -23.919 1.00 31.19 H new ATOM 375 N HIS A 29 -13.417 7.035 -24.328 1.00 30.45 N ATOM 376 CA HIS A 29 -14.202 5.826 -24.521 1.00 30.07 C ATOM 377 C HIS A 29 -15.519 5.946 -23.773 1.00 29.27 C ATOM 378 O HIS A 29 -15.536 6.221 -22.569 1.00 29.10 O ATOM 379 CB HIS A 29 -13.436 4.589 -24.042 1.00 30.43 C ATOM 380 CG HIS A 29 -12.154 4.357 -24.785 1.00 30.70 C ATOM 381 ND1 HIS A 29 -10.912 4.414 -24.188 1.00 31.08 N ATOM 382 CD2 HIS A 29 -11.930 4.065 -26.088 1.00 30.74 C ATOM 383 CE1 HIS A 29 -9.980 4.180 -25.093 1.00 31.33 C ATOM 384 NE2 HIS A 29 -10.573 3.957 -26.251 1.00 31.13 N ATOM 0 H HIS A 29 -12.714 6.971 -23.591 1.00 30.45 H new ATOM 0 HA HIS A 29 -14.399 5.709 -25.587 1.00 30.07 H new ATOM 0 HB2 HIS A 29 -13.217 4.695 -22.979 1.00 30.43 H new ATOM 0 HB3 HIS A 29 -14.074 3.712 -24.150 1.00 30.43 H new ATOM 0 HD2 HIS A 29 -12.680 3.940 -26.855 1.00 30.74 H new ATOM 0 HE1 HIS A 29 -8.915 4.172 -24.916 1.00 31.33 H new ATOM 0 HE2 HIS A 29 -10.098 3.739 -27.127 1.00 31.13 H new ATOM 393 N GLY A 30 -16.617 5.757 -24.484 1.00 28.86 N ATOM 394 CA GLY A 30 -17.914 5.920 -23.872 1.00 28.15 C ATOM 395 C GLY A 30 -18.973 5.040 -24.496 1.00 27.47 C ATOM 396 O GLY A 30 -19.233 5.119 -25.697 1.00 27.72 O ATOM 0 H GLY A 30 -16.633 5.495 -25.470 1.00 28.86 H new ATOM 0 HA2 GLY A 30 -17.840 5.692 -22.809 1.00 28.15 H new ATOM 0 HA3 GLY A 30 -18.221 6.963 -23.954 1.00 28.15 H new ATOM 400 N TYR A 31 -19.574 4.199 -23.677 1.00 26.68 N ATOM 401 CA TYR A 31 -20.679 3.362 -24.108 1.00 26.02 C ATOM 402 C TYR A 31 -21.809 3.471 -23.098 1.00 25.11 C ATOM 403 O TYR A 31 -21.620 4.033 -22.018 1.00 24.84 O ATOM 404 CB TYR A 31 -20.235 1.897 -24.266 1.00 25.83 C ATOM 405 CG TYR A 31 -19.641 1.282 -23.014 1.00 26.21 C ATOM 406 CD1 TYR A 31 -20.446 0.637 -22.085 1.00 26.88 C ATOM 407 CD2 TYR A 31 -18.276 1.359 -22.756 1.00 26.01 C ATOM 408 CE1 TYR A 31 -19.910 0.080 -20.939 1.00 27.32 C ATOM 409 CE2 TYR A 31 -17.735 0.803 -21.614 1.00 26.46 C ATOM 410 CZ TYR A 31 -18.544 0.140 -20.727 1.00 27.12 C ATOM 411 OH TYR A 31 -18.019 -0.378 -19.567 1.00 27.66 O ATOM 0 H TYR A 31 -19.313 4.076 -22.699 1.00 26.68 H new ATOM 0 HA TYR A 31 -21.026 3.706 -25.082 1.00 26.02 H new ATOM 0 HB2 TYR A 31 -21.094 1.302 -24.576 1.00 25.83 H new ATOM 0 HB3 TYR A 31 -19.500 1.838 -25.069 1.00 25.83 H new ATOM 0 HD1 TYR A 31 -21.509 0.569 -22.261 1.00 26.88 H new ATOM 0 HD2 TYR A 31 -17.629 1.862 -23.460 1.00 26.01 H new ATOM 0 HE1 TYR A 31 -20.553 -0.398 -20.215 1.00 27.32 H new ATOM 0 HE2 TYR A 31 -16.676 0.890 -21.419 1.00 26.46 H new ATOM 0 HH TYR A 31 -17.046 -0.261 -19.567 1.00 27.66 H new ATOM 421 N GLY A 32 -22.978 2.961 -23.457 1.00 24.74 N ATOM 422 CA GLY A 32 -24.105 2.957 -22.544 1.00 23.92 C ATOM 423 C GLY A 32 -23.840 2.096 -21.327 1.00 22.78 C ATOM 424 O GLY A 32 -24.058 0.883 -21.351 1.00 22.44 O ATOM 0 H GLY A 32 -23.168 2.547 -24.370 1.00 24.74 H new ATOM 0 HA2 GLY A 32 -24.320 3.978 -22.227 1.00 23.92 H new ATOM 0 HA3 GLY A 32 -24.991 2.591 -23.062 1.00 23.92 H new ATOM 428 N GLU A 33 -23.352 2.721 -20.272 1.00 22.28 N ATOM 429 CA GLU A 33 -22.987 2.014 -19.060 1.00 21.23 C ATOM 430 C GLU A 33 -24.124 2.018 -18.051 1.00 20.26 C ATOM 431 O GLU A 33 -25.097 2.758 -18.193 1.00 20.30 O ATOM 432 CB GLU A 33 -21.709 2.619 -18.449 1.00 21.19 C ATOM 433 CG GLU A 33 -21.640 4.146 -18.478 1.00 21.44 C ATOM 434 CD GLU A 33 -22.622 4.823 -17.538 1.00 21.69 C ATOM 435 OE1 GLU A 33 -22.291 4.999 -16.346 1.00 21.36 O ATOM 436 OE2 GLU A 33 -23.723 5.202 -17.989 1.00 22.32 O ATOM 0 H GLU A 33 -23.198 3.729 -20.231 1.00 22.28 H new ATOM 0 HA GLU A 33 -22.787 0.976 -19.324 1.00 21.23 H new ATOM 0 HB2 GLU A 33 -21.626 2.286 -17.414 1.00 21.19 H new ATOM 0 HB3 GLU A 33 -20.846 2.221 -18.982 1.00 21.19 H new ATOM 0 HG2 GLU A 33 -20.629 4.459 -18.219 1.00 21.44 H new ATOM 0 HG3 GLU A 33 -21.829 4.490 -19.495 1.00 21.44 H new ATOM 443 N GLY A 34 -24.021 1.139 -17.072 1.00 19.49 N ATOM 444 CA GLY A 34 -24.944 1.148 -15.962 1.00 18.59 C ATOM 445 C GLY A 34 -24.220 1.473 -14.677 1.00 17.66 C ATOM 446 O GLY A 34 -23.498 0.627 -14.149 1.00 17.26 O ATOM 0 H GLY A 34 -23.307 0.412 -17.026 1.00 19.49 H new ATOM 0 HA2 GLY A 34 -25.729 1.883 -16.140 1.00 18.59 H new ATOM 0 HA3 GLY A 34 -25.430 0.176 -15.877 1.00 18.59 H new ATOM 450 N ALA A 35 -24.395 2.708 -14.202 1.00 17.42 N ATOM 451 CA ALA A 35 -23.716 3.209 -13.002 1.00 16.65 C ATOM 452 C ALA A 35 -23.622 2.159 -11.904 1.00 15.41 C ATOM 453 O ALA A 35 -24.636 1.690 -11.378 1.00 15.13 O ATOM 454 CB ALA A 35 -24.427 4.443 -12.474 1.00 17.01 C ATOM 0 H ALA A 35 -25.013 3.392 -14.639 1.00 17.42 H new ATOM 0 HA ALA A 35 -22.698 3.465 -13.296 1.00 16.65 H new ATOM 0 HB1 ALA A 35 -23.914 4.805 -11.583 1.00 17.01 H new ATOM 0 HB2 ALA A 35 -24.422 5.221 -13.238 1.00 17.01 H new ATOM 0 HB3 ALA A 35 -25.457 4.190 -12.222 1.00 17.01 H new ATOM 460 N GLY A 36 -22.393 1.802 -11.558 1.00 14.76 N ATOM 461 CA GLY A 36 -22.162 0.796 -10.550 1.00 13.60 C ATOM 462 C GLY A 36 -21.907 1.414 -9.199 1.00 12.94 C ATOM 463 O GLY A 36 -21.241 2.443 -9.098 1.00 13.05 O ATOM 0 H GLY A 36 -21.546 2.198 -11.965 1.00 14.76 H new ATOM 0 HA2 GLY A 36 -23.026 0.134 -10.491 1.00 13.60 H new ATOM 0 HA3 GLY A 36 -21.309 0.182 -10.837 1.00 13.60 H new ATOM 467 N GLU A 37 -22.460 0.807 -8.169 1.00 12.42 N ATOM 468 CA GLU A 37 -22.299 1.310 -6.818 1.00 11.86 C ATOM 469 C GLU A 37 -21.141 0.598 -6.121 1.00 10.71 C ATOM 470 O GLU A 37 -20.422 -0.175 -6.755 1.00 10.32 O ATOM 471 CB GLU A 37 -23.615 1.150 -6.059 1.00 12.01 C ATOM 472 CG GLU A 37 -23.811 2.170 -4.951 1.00 12.07 C ATOM 473 CD GLU A 37 -25.255 2.277 -4.512 1.00 12.51 C ATOM 474 OE1 GLU A 37 -25.668 1.505 -3.617 1.00 12.50 O ATOM 475 OE2 GLU A 37 -25.988 3.123 -5.056 1.00 13.02 O ATOM 0 H GLU A 37 -23.027 -0.038 -8.241 1.00 12.42 H new ATOM 0 HA GLU A 37 -22.051 2.371 -6.843 1.00 11.86 H new ATOM 0 HB2 GLU A 37 -24.442 1.230 -6.764 1.00 12.01 H new ATOM 0 HB3 GLU A 37 -23.657 0.149 -5.630 1.00 12.01 H new ATOM 0 HG2 GLU A 37 -23.194 1.896 -4.096 1.00 12.07 H new ATOM 0 HG3 GLU A 37 -23.465 3.145 -5.294 1.00 12.07 H new ATOM 482 N GLY A 38 -20.947 0.866 -4.832 1.00 10.28 N ATOM 483 CA GLY A 38 -19.768 0.376 -4.144 1.00 9.25 C ATOM 484 C GLY A 38 -19.843 -1.089 -3.816 1.00 8.49 C ATOM 485 O GLY A 38 -20.022 -1.469 -2.657 1.00 8.21 O ATOM 0 H GLY A 38 -21.585 1.413 -4.254 1.00 10.28 H new ATOM 0 HA2 GLY A 38 -18.890 0.559 -4.764 1.00 9.25 H new ATOM 0 HA3 GLY A 38 -19.631 0.942 -3.223 1.00 9.25 H new ATOM 489 N ILE A 39 -19.724 -1.905 -4.844 1.00 8.38 N ATOM 490 CA ILE A 39 -19.554 -3.327 -4.671 1.00 7.80 C ATOM 491 C ILE A 39 -18.308 -3.586 -3.834 1.00 6.77 C ATOM 492 O ILE A 39 -17.319 -2.852 -3.939 1.00 6.49 O ATOM 493 CB ILE A 39 -19.458 -4.052 -6.035 1.00 8.21 C ATOM 494 CG1 ILE A 39 -18.528 -3.287 -6.995 1.00 8.58 C ATOM 495 CG2 ILE A 39 -20.846 -4.227 -6.640 1.00 9.12 C ATOM 496 CD1 ILE A 39 -18.576 -3.780 -8.427 1.00 8.87 C ATOM 0 H ILE A 39 -19.743 -1.600 -5.817 1.00 8.38 H new ATOM 0 HA ILE A 39 -20.427 -3.725 -4.154 1.00 7.80 H new ATOM 0 HB ILE A 39 -19.029 -5.041 -5.873 1.00 8.21 H new ATOM 0 HG12 ILE A 39 -18.795 -2.230 -6.977 1.00 8.58 H new ATOM 0 HG13 ILE A 39 -17.504 -3.364 -6.630 1.00 8.58 H new ATOM 0 HG21 ILE A 39 -20.763 -4.738 -7.599 1.00 9.12 H new ATOM 0 HG22 ILE A 39 -21.465 -4.819 -5.966 1.00 9.12 H new ATOM 0 HG23 ILE A 39 -21.304 -3.249 -6.789 1.00 9.12 H new ATOM 0 HD11 ILE A 39 -17.893 -3.190 -9.038 1.00 8.87 H new ATOM 0 HD12 ILE A 39 -18.279 -4.828 -8.461 1.00 8.87 H new ATOM 0 HD13 ILE A 39 -19.590 -3.677 -8.813 1.00 8.87 H new ATOM 508 N ASP A 40 -18.345 -4.618 -3.000 1.00 6.37 N ATOM 509 CA ASP A 40 -17.271 -4.848 -2.043 1.00 5.59 C ATOM 510 C ASP A 40 -16.037 -5.414 -2.718 1.00 5.10 C ATOM 511 O ASP A 40 -15.802 -6.622 -2.704 1.00 5.12 O ATOM 512 CB ASP A 40 -17.715 -5.781 -0.916 1.00 5.75 C ATOM 513 CG ASP A 40 -18.115 -5.031 0.341 1.00 6.02 C ATOM 514 OD1 ASP A 40 -17.348 -4.149 0.783 1.00 6.06 O ATOM 515 OD2 ASP A 40 -19.178 -5.344 0.917 1.00 6.52 O ATOM 0 H ASP A 40 -19.100 -5.303 -2.967 1.00 6.37 H new ATOM 0 HA ASP A 40 -17.020 -3.878 -1.614 1.00 5.59 H new ATOM 0 HB2 ASP A 40 -18.557 -6.383 -1.258 1.00 5.75 H new ATOM 0 HB3 ASP A 40 -16.905 -6.471 -0.680 1.00 5.75 H new ATOM 520 N ASP A 41 -15.278 -4.534 -3.354 1.00 4.99 N ATOM 521 CA ASP A 41 -13.987 -4.904 -3.915 1.00 4.67 C ATOM 522 C ASP A 41 -12.897 -4.040 -3.306 1.00 3.91 C ATOM 523 O ASP A 41 -12.816 -2.841 -3.575 1.00 4.07 O ATOM 524 CB ASP A 41 -13.990 -4.777 -5.446 1.00 5.45 C ATOM 525 CG ASP A 41 -12.741 -5.369 -6.088 1.00 5.83 C ATOM 526 OD1 ASP A 41 -12.083 -6.217 -5.450 1.00 5.98 O ATOM 527 OD2 ASP A 41 -12.409 -4.988 -7.231 1.00 6.31 O ATOM 0 H ASP A 41 -15.534 -3.557 -3.495 1.00 4.99 H new ATOM 0 HA ASP A 41 -13.790 -5.948 -3.673 1.00 4.67 H new ATOM 0 HB2 ASP A 41 -14.871 -5.278 -5.846 1.00 5.45 H new ATOM 0 HB3 ASP A 41 -14.070 -3.725 -5.719 1.00 5.45 H new ATOM 532 N VAL A 42 -12.088 -4.644 -2.448 1.00 3.33 N ATOM 533 CA VAL A 42 -10.987 -3.932 -1.818 1.00 2.69 C ATOM 534 C VAL A 42 -9.827 -3.790 -2.804 1.00 2.33 C ATOM 535 O VAL A 42 -9.449 -4.747 -3.489 1.00 2.50 O ATOM 536 CB VAL A 42 -10.524 -4.627 -0.509 1.00 2.75 C ATOM 537 CG1 VAL A 42 -10.197 -6.094 -0.746 1.00 3.11 C ATOM 538 CG2 VAL A 42 -9.331 -3.902 0.106 1.00 3.00 C ATOM 0 H VAL A 42 -12.173 -5.623 -2.173 1.00 3.33 H new ATOM 0 HA VAL A 42 -11.340 -2.938 -1.542 1.00 2.69 H new ATOM 0 HB VAL A 42 -11.353 -4.578 0.197 1.00 2.75 H new ATOM 0 HG11 VAL A 42 -9.876 -6.551 0.190 1.00 3.11 H new ATOM 0 HG12 VAL A 42 -11.083 -6.609 -1.116 1.00 3.11 H new ATOM 0 HG13 VAL A 42 -9.397 -6.174 -1.482 1.00 3.11 H new ATOM 0 HG21 VAL A 42 -9.028 -4.411 1.021 1.00 3.00 H new ATOM 0 HG22 VAL A 42 -8.501 -3.902 -0.601 1.00 3.00 H new ATOM 0 HG23 VAL A 42 -9.610 -2.874 0.338 1.00 3.00 H new ATOM 548 N GLU A 43 -9.275 -2.593 -2.871 1.00 2.18 N ATOM 549 CA GLU A 43 -8.260 -2.264 -3.840 1.00 2.01 C ATOM 550 C GLU A 43 -7.286 -1.269 -3.237 1.00 1.64 C ATOM 551 O GLU A 43 -7.688 -0.211 -2.741 1.00 1.85 O ATOM 552 CB GLU A 43 -8.895 -1.658 -5.090 1.00 2.56 C ATOM 553 CG GLU A 43 -7.883 -1.231 -6.137 1.00 2.76 C ATOM 554 CD GLU A 43 -8.447 -0.222 -7.115 1.00 3.45 C ATOM 555 OE1 GLU A 43 -8.441 0.984 -6.793 1.00 3.83 O ATOM 556 OE2 GLU A 43 -8.873 -0.623 -8.219 1.00 3.94 O ATOM 0 H GLU A 43 -9.523 -1.822 -2.250 1.00 2.18 H new ATOM 0 HA GLU A 43 -7.731 -3.176 -4.118 1.00 2.01 H new ATOM 0 HB2 GLU A 43 -9.577 -2.385 -5.531 1.00 2.56 H new ATOM 0 HB3 GLU A 43 -9.494 -0.794 -4.801 1.00 2.56 H new ATOM 0 HG2 GLU A 43 -7.012 -0.803 -5.641 1.00 2.76 H new ATOM 0 HG3 GLU A 43 -7.539 -2.109 -6.684 1.00 2.76 H new ATOM 563 N TRP A 44 -6.024 -1.622 -3.252 1.00 1.25 N ATOM 564 CA TRP A 44 -4.991 -0.722 -2.805 1.00 0.97 C ATOM 565 C TRP A 44 -4.513 0.121 -3.977 1.00 0.84 C ATOM 566 O TRP A 44 -4.294 -0.376 -5.083 1.00 0.86 O ATOM 567 CB TRP A 44 -3.847 -1.515 -2.184 1.00 0.87 C ATOM 568 CG TRP A 44 -2.699 -0.677 -1.683 1.00 0.83 C ATOM 569 CD1 TRP A 44 -2.702 0.656 -1.385 1.00 1.24 C ATOM 570 CD2 TRP A 44 -1.379 -1.138 -1.405 1.00 0.68 C ATOM 571 NE1 TRP A 44 -1.456 1.052 -0.972 1.00 1.33 N ATOM 572 CE2 TRP A 44 -0.630 -0.042 -0.964 1.00 0.88 C ATOM 573 CE3 TRP A 44 -0.764 -2.375 -1.492 1.00 0.82 C ATOM 574 CZ2 TRP A 44 0.717 -0.149 -0.622 1.00 0.80 C ATOM 575 CZ3 TRP A 44 0.566 -2.490 -1.149 1.00 0.84 C ATOM 576 CH2 TRP A 44 1.295 -1.385 -0.720 1.00 0.60 C ATOM 0 H TRP A 44 -5.687 -2.531 -3.571 1.00 1.25 H new ATOM 0 HA TRP A 44 -5.386 -0.052 -2.041 1.00 0.97 H new ATOM 0 HB2 TRP A 44 -4.239 -2.103 -1.354 1.00 0.87 H new ATOM 0 HB3 TRP A 44 -3.468 -2.220 -2.924 1.00 0.87 H new ATOM 0 HD1 TRP A 44 -3.562 1.305 -1.463 1.00 1.24 H new ATOM 0 HE1 TRP A 44 -1.188 2.002 -0.714 1.00 1.33 H new ATOM 0 HE3 TRP A 44 -1.319 -3.239 -1.825 1.00 0.82 H new ATOM 0 HZ2 TRP A 44 1.282 0.710 -0.293 1.00 0.80 H new ATOM 0 HZ3 TRP A 44 1.050 -3.453 -1.214 1.00 0.84 H new ATOM 0 HH2 TRP A 44 2.336 -1.505 -0.460 1.00 0.60 H new ATOM 587 N VAL A 45 -4.330 1.395 -3.701 1.00 0.83 N ATOM 588 CA VAL A 45 -4.006 2.397 -4.704 1.00 0.83 C ATOM 589 C VAL A 45 -2.653 2.122 -5.382 1.00 0.65 C ATOM 590 O VAL A 45 -2.309 2.742 -6.387 1.00 0.73 O ATOM 591 CB VAL A 45 -3.979 3.791 -4.045 1.00 1.00 C ATOM 592 CG1 VAL A 45 -3.856 4.897 -5.085 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.213 4.007 -3.166 1.00 1.20 C ATOM 0 H VAL A 45 -4.403 1.774 -2.757 1.00 0.83 H new ATOM 0 HA VAL A 45 -4.775 2.356 -5.475 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.096 3.835 -3.408 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -3.840 5.866 -4.586 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -2.933 4.764 -5.650 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -4.707 4.853 -5.765 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.169 4.998 -2.714 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.113 3.927 -3.776 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.238 3.251 -2.382 1.00 1.20 H new ATOM 603 N VAL A 46 -1.883 1.193 -4.846 1.00 0.48 N ATOM 604 CA VAL A 46 -0.573 0.900 -5.410 1.00 0.34 C ATOM 605 C VAL A 46 -0.662 -0.159 -6.499 1.00 0.33 C ATOM 606 O VAL A 46 0.254 -0.309 -7.291 1.00 0.40 O ATOM 607 CB VAL A 46 0.445 0.496 -4.306 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.799 0.128 -4.879 1.00 0.66 C ATOM 609 CG2 VAL A 46 0.641 1.641 -3.351 1.00 0.53 C ATOM 0 H VAL A 46 -2.135 0.633 -4.031 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.205 1.815 -5.873 1.00 0.34 H new ATOM 0 HB VAL A 46 0.032 -0.376 -3.799 1.00 0.33 H new ATOM 0 HG11 VAL A 46 2.475 -0.146 -4.069 1.00 0.66 H new ATOM 0 HG12 VAL A 46 1.689 -0.715 -5.561 1.00 0.66 H new ATOM 0 HG13 VAL A 46 2.209 0.981 -5.420 1.00 0.66 H new ATOM 0 HG21 VAL A 46 1.355 1.353 -2.579 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.022 2.506 -3.894 1.00 0.53 H new ATOM 0 HG23 VAL A 46 -0.312 1.895 -2.887 1.00 0.53 H new ATOM 619 N GLY A 47 -1.786 -0.842 -6.591 1.00 0.42 N ATOM 620 CA GLY A 47 -1.944 -1.815 -7.654 1.00 0.54 C ATOM 621 C GLY A 47 -2.081 -1.151 -9.011 1.00 0.56 C ATOM 622 O GLY A 47 -1.978 -1.805 -10.046 1.00 0.72 O ATOM 0 H GLY A 47 -2.583 -0.747 -5.962 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -1.085 -2.486 -7.663 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.825 -2.427 -7.458 1.00 0.54 H new ATOM 626 N LYS A 48 -2.298 0.160 -8.994 1.00 0.49 N ATOM 627 CA LYS A 48 -2.489 0.927 -10.210 1.00 0.60 C ATOM 628 C LYS A 48 -1.336 1.883 -10.485 1.00 0.54 C ATOM 629 O LYS A 48 -1.059 2.208 -11.637 1.00 0.67 O ATOM 630 CB LYS A 48 -3.787 1.712 -10.112 1.00 0.76 C ATOM 631 CG LYS A 48 -4.005 2.400 -8.776 1.00 0.94 C ATOM 632 CD LYS A 48 -5.390 3.030 -8.688 1.00 1.43 C ATOM 633 CE LYS A 48 -6.480 2.031 -9.045 1.00 2.26 C ATOM 634 NZ LYS A 48 -7.838 2.568 -8.773 1.00 2.97 N ATOM 0 H LYS A 48 -2.345 0.714 -8.139 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.529 0.221 -11.039 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.803 2.464 -10.901 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.621 1.036 -10.299 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -3.882 1.677 -7.970 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -3.245 3.169 -8.634 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -5.556 3.406 -7.679 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -5.445 3.886 -9.361 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -6.399 1.767 -10.100 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -6.332 1.114 -8.475 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -8.423 2.481 -9.628 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -8.275 2.030 -7.998 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -7.767 3.570 -8.502 1.00 2.97 H new ATOM 648 N ASP A 49 -0.666 2.335 -9.437 1.00 0.45 N ATOM 649 CA ASP A 49 0.408 3.307 -9.600 1.00 0.50 C ATOM 650 C ASP A 49 1.756 2.641 -9.343 1.00 0.40 C ATOM 651 O ASP A 49 2.796 3.295 -9.293 1.00 0.40 O ATOM 652 CB ASP A 49 0.188 4.494 -8.651 1.00 0.68 C ATOM 653 CG ASP A 49 1.009 5.719 -9.025 1.00 1.09 C ATOM 654 OD1 ASP A 49 1.335 5.884 -10.218 1.00 1.83 O ATOM 655 OD2 ASP A 49 1.294 6.548 -8.130 1.00 1.58 O ATOM 0 H ASP A 49 -0.842 2.050 -8.474 1.00 0.45 H new ATOM 0 HA ASP A 49 0.404 3.683 -10.623 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -0.869 4.759 -8.650 1.00 0.68 H new ATOM 0 HB3 ASP A 49 0.441 4.191 -7.635 1.00 0.68 H new ATOM 660 N LYS A 50 1.722 1.318 -9.203 1.00 0.37 N ATOM 661 CA LYS A 50 2.909 0.520 -8.951 1.00 0.35 C ATOM 662 C LYS A 50 3.972 0.712 -10.030 1.00 0.35 C ATOM 663 O LYS A 50 5.132 0.882 -9.692 1.00 0.35 O ATOM 664 CB LYS A 50 2.553 -0.958 -8.857 1.00 0.39 C ATOM 665 CG LYS A 50 3.633 -1.781 -8.189 1.00 0.48 C ATOM 666 CD LYS A 50 3.397 -3.262 -8.365 1.00 0.63 C ATOM 667 CE LYS A 50 4.406 -4.063 -7.571 1.00 0.80 C ATOM 668 NZ LYS A 50 4.650 -5.402 -8.156 1.00 1.13 N ATOM 0 H LYS A 50 0.863 0.771 -9.262 1.00 0.37 H new ATOM 0 HA LYS A 50 3.321 0.862 -8.002 1.00 0.35 H new ATOM 0 HB2 LYS A 50 1.622 -1.068 -8.300 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.373 -1.348 -9.859 1.00 0.39 H new ATOM 0 HG2 LYS A 50 4.604 -1.515 -8.607 1.00 0.48 H new ATOM 0 HG3 LYS A 50 3.667 -1.542 -7.126 1.00 0.48 H new ATOM 0 HD2 LYS A 50 2.388 -3.515 -8.041 1.00 0.63 H new ATOM 0 HD3 LYS A 50 3.467 -3.524 -9.421 1.00 0.63 H new ATOM 0 HE2 LYS A 50 5.346 -3.513 -7.524 1.00 0.80 H new ATOM 0 HE3 LYS A 50 4.051 -4.176 -6.547 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 4.202 -6.128 -7.561 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 4.246 -5.441 -9.114 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 5.674 -5.578 -8.204 1.00 1.13 H new ATOM 682 N PRO A 51 3.608 0.675 -11.342 1.00 0.39 N ATOM 683 CA PRO A 51 4.572 0.855 -12.435 1.00 0.43 C ATOM 684 C PRO A 51 5.449 2.088 -12.252 1.00 0.37 C ATOM 685 O PRO A 51 6.590 2.107 -12.698 1.00 0.36 O ATOM 686 CB PRO A 51 3.701 1.002 -13.691 1.00 0.56 C ATOM 687 CG PRO A 51 2.299 1.137 -13.199 1.00 0.55 C ATOM 688 CD PRO A 51 2.258 0.432 -11.878 1.00 0.45 C ATOM 0 HA PRO A 51 5.267 0.017 -12.485 1.00 0.43 H new ATOM 0 HB2 PRO A 51 3.997 1.875 -14.272 1.00 0.56 H new ATOM 0 HB3 PRO A 51 3.805 0.135 -14.343 1.00 0.56 H new ATOM 0 HG2 PRO A 51 2.022 2.186 -13.091 1.00 0.55 H new ATOM 0 HG3 PRO A 51 1.594 0.692 -13.901 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.484 0.837 -11.226 1.00 0.45 H new ATOM 0 HD3 PRO A 51 2.053 -0.632 -11.993 1.00 0.45 H new ATOM 696 N THR A 52 4.922 3.095 -11.567 1.00 0.36 N ATOM 697 CA THR A 52 5.661 4.320 -11.314 1.00 0.36 C ATOM 698 C THR A 52 6.756 4.063 -10.279 1.00 0.29 C ATOM 699 O THR A 52 7.909 4.491 -10.416 1.00 0.32 O ATOM 700 CB THR A 52 4.711 5.418 -10.798 1.00 0.44 C ATOM 701 OG1 THR A 52 3.528 5.461 -11.613 1.00 0.60 O ATOM 702 CG2 THR A 52 5.388 6.784 -10.809 1.00 0.50 C ATOM 0 H THR A 52 3.980 3.084 -11.176 1.00 0.36 H new ATOM 0 HA THR A 52 6.116 4.653 -12.247 1.00 0.36 H new ATOM 0 HB THR A 52 4.442 5.177 -9.770 1.00 0.44 H new ATOM 0 HG1 THR A 52 2.803 5.893 -11.115 1.00 0.60 H new ATOM 0 HG21 THR A 52 4.693 7.538 -10.440 1.00 0.50 H new ATOM 0 HG22 THR A 52 6.269 6.758 -10.168 1.00 0.50 H new ATOM 0 HG23 THR A 52 5.687 7.034 -11.827 1.00 0.50 H new ATOM 710 N TYR A 53 6.396 3.313 -9.260 1.00 0.25 N ATOM 711 CA TYR A 53 7.311 3.028 -8.174 1.00 0.24 C ATOM 712 C TYR A 53 8.274 1.922 -8.589 1.00 0.22 C ATOM 713 O TYR A 53 9.398 1.841 -8.095 1.00 0.24 O ATOM 714 CB TYR A 53 6.519 2.585 -6.949 1.00 0.27 C ATOM 715 CG TYR A 53 5.289 3.421 -6.649 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.345 4.809 -6.605 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.067 2.809 -6.401 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.220 5.558 -6.324 1.00 0.94 C ATOM 719 CE2 TYR A 53 2.940 3.551 -6.118 1.00 0.68 C ATOM 720 CZ TYR A 53 3.022 4.924 -6.078 1.00 0.62 C ATOM 721 OH TYR A 53 1.898 5.666 -5.804 1.00 0.79 O ATOM 0 H TYR A 53 5.474 2.888 -9.160 1.00 0.25 H new ATOM 0 HA TYR A 53 7.880 3.926 -7.934 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.211 1.549 -7.088 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.177 2.608 -6.081 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.283 5.309 -6.794 1.00 0.81 H new ATOM 0 HD2 TYR A 53 3.998 1.732 -6.430 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.279 6.636 -6.297 1.00 0.94 H new ATOM 0 HE2 TYR A 53 1.998 3.057 -5.929 1.00 0.68 H new ATOM 0 HH TYR A 53 1.772 6.340 -6.504 1.00 0.79 H new ATOM 731 N ASP A 54 7.834 1.110 -9.541 1.00 0.21 N ATOM 732 CA ASP A 54 8.648 0.018 -10.073 1.00 0.23 C ATOM 733 C ASP A 54 9.629 0.540 -11.126 1.00 0.22 C ATOM 734 O ASP A 54 10.759 0.059 -11.236 1.00 0.23 O ATOM 735 CB ASP A 54 7.733 -1.051 -10.682 1.00 0.31 C ATOM 736 CG ASP A 54 8.487 -2.138 -11.419 1.00 0.58 C ATOM 737 OD1 ASP A 54 8.944 -3.098 -10.758 1.00 1.16 O ATOM 738 OD2 ASP A 54 8.647 -2.035 -12.649 1.00 1.14 O ATOM 0 H ASP A 54 6.910 1.186 -9.966 1.00 0.21 H new ATOM 0 HA ASP A 54 9.226 -0.422 -9.260 1.00 0.23 H new ATOM 0 HB2 ASP A 54 7.139 -1.505 -9.889 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.035 -0.573 -11.369 1.00 0.31 H new ATOM 743 N GLU A 55 9.209 1.544 -11.891 1.00 0.24 N ATOM 744 CA GLU A 55 10.099 2.148 -12.874 1.00 0.28 C ATOM 745 C GLU A 55 11.242 2.851 -12.169 1.00 0.29 C ATOM 746 O GLU A 55 12.386 2.753 -12.597 1.00 0.35 O ATOM 747 CB GLU A 55 9.347 3.105 -13.802 1.00 0.35 C ATOM 748 CG GLU A 55 8.784 4.333 -13.115 1.00 0.40 C ATOM 749 CD GLU A 55 7.964 5.188 -14.051 1.00 0.88 C ATOM 750 OE1 GLU A 55 8.556 6.007 -14.786 1.00 1.38 O ATOM 751 OE2 GLU A 55 6.726 5.034 -14.076 1.00 1.63 O ATOM 0 H GLU A 55 8.274 1.950 -11.850 1.00 0.24 H new ATOM 0 HA GLU A 55 10.508 1.355 -13.501 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.021 3.425 -14.596 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.529 2.563 -14.277 1.00 0.35 H new ATOM 0 HG2 GLU A 55 8.165 4.024 -12.273 1.00 0.40 H new ATOM 0 HG3 GLU A 55 9.603 4.926 -12.708 1.00 0.40 H new ATOM 758 N ILE A 56 10.947 3.532 -11.068 1.00 0.27 N ATOM 759 CA ILE A 56 12.009 4.134 -10.275 1.00 0.30 C ATOM 760 C ILE A 56 12.827 3.033 -9.590 1.00 0.27 C ATOM 761 O ILE A 56 14.027 3.178 -9.366 1.00 0.30 O ATOM 762 CB ILE A 56 11.446 5.111 -9.225 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.517 6.116 -9.908 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.579 5.837 -8.511 1.00 0.36 C ATOM 765 CD1 ILE A 56 9.727 6.964 -8.939 1.00 0.61 C ATOM 0 H ILE A 56 10.003 3.679 -10.711 1.00 0.27 H new ATOM 0 HA ILE A 56 12.653 4.705 -10.944 1.00 0.30 H new ATOM 0 HB ILE A 56 10.881 4.548 -8.482 1.00 0.34 H new ATOM 0 HG12 ILE A 56 11.110 6.768 -10.549 1.00 0.42 H new ATOM 0 HG13 ILE A 56 9.824 5.577 -10.554 1.00 0.42 H new ATOM 0 HG21 ILE A 56 12.163 6.523 -7.773 1.00 0.36 H new ATOM 0 HG22 ILE A 56 13.219 5.110 -8.011 1.00 0.36 H new ATOM 0 HG23 ILE A 56 13.166 6.398 -9.238 1.00 0.36 H new ATOM 0 HD11 ILE A 56 9.090 7.653 -9.494 1.00 0.61 H new ATOM 0 HD12 ILE A 56 9.107 6.321 -8.314 1.00 0.61 H new ATOM 0 HD13 ILE A 56 10.412 7.531 -8.309 1.00 0.61 H new ATOM 777 N PHE A 57 12.160 1.920 -9.307 1.00 0.24 N ATOM 778 CA PHE A 57 12.785 0.753 -8.684 1.00 0.22 C ATOM 779 C PHE A 57 13.945 0.222 -9.528 1.00 0.24 C ATOM 780 O PHE A 57 15.082 0.158 -9.059 1.00 0.32 O ATOM 781 CB PHE A 57 11.728 -0.336 -8.465 1.00 0.20 C ATOM 782 CG PHE A 57 12.262 -1.643 -7.955 1.00 0.19 C ATOM 783 CD1 PHE A 57 12.742 -1.751 -6.664 1.00 0.83 C ATOM 784 CD2 PHE A 57 12.266 -2.765 -8.763 1.00 0.85 C ATOM 785 CE1 PHE A 57 13.221 -2.954 -6.191 1.00 0.83 C ATOM 786 CE2 PHE A 57 12.740 -3.975 -8.293 1.00 0.88 C ATOM 787 CZ PHE A 57 13.216 -4.068 -7.003 1.00 0.28 C ATOM 0 H PHE A 57 11.166 1.798 -9.503 1.00 0.24 H new ATOM 0 HA PHE A 57 13.198 1.053 -7.721 1.00 0.22 H new ATOM 0 HB2 PHE A 57 10.985 0.036 -7.760 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.211 -0.515 -9.408 1.00 0.20 H new ATOM 0 HD1 PHE A 57 12.742 -0.885 -6.019 1.00 0.83 H new ATOM 0 HD2 PHE A 57 11.894 -2.695 -9.774 1.00 0.85 H new ATOM 0 HE1 PHE A 57 13.601 -3.024 -5.182 1.00 0.83 H new ATOM 0 HE2 PHE A 57 12.737 -4.844 -8.934 1.00 0.88 H new ATOM 0 HZ PHE A 57 13.584 -5.012 -6.629 1.00 0.28 H new ATOM 797 N TYR A 58 13.665 -0.144 -10.777 1.00 0.26 N ATOM 798 CA TYR A 58 14.704 -0.654 -11.678 1.00 0.29 C ATOM 799 C TYR A 58 15.709 0.439 -12.019 1.00 0.33 C ATOM 800 O TYR A 58 16.857 0.159 -12.359 1.00 0.37 O ATOM 801 CB TYR A 58 14.095 -1.215 -12.970 1.00 0.33 C ATOM 802 CG TYR A 58 13.393 -2.541 -12.795 1.00 0.34 C ATOM 803 CD1 TYR A 58 12.166 -2.614 -12.162 1.00 0.88 C ATOM 804 CD2 TYR A 58 13.961 -3.721 -13.262 1.00 1.00 C ATOM 805 CE1 TYR A 58 11.519 -3.818 -11.998 1.00 0.92 C ATOM 806 CE2 TYR A 58 13.318 -4.932 -13.104 1.00 1.03 C ATOM 807 CZ TYR A 58 12.098 -4.975 -12.466 1.00 0.50 C ATOM 808 OH TYR A 58 11.448 -6.176 -12.302 1.00 0.61 O ATOM 0 H TYR A 58 12.733 -0.099 -11.190 1.00 0.26 H new ATOM 0 HA TYR A 58 15.218 -1.461 -11.157 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.386 -0.490 -13.369 1.00 0.33 H new ATOM 0 HB3 TYR A 58 14.885 -1.329 -13.712 1.00 0.33 H new ATOM 0 HD1 TYR A 58 11.707 -1.710 -11.789 1.00 0.88 H new ATOM 0 HD2 TYR A 58 14.921 -3.689 -13.756 1.00 1.00 H new ATOM 0 HE1 TYR A 58 10.560 -3.854 -11.503 1.00 0.92 H new ATOM 0 HE2 TYR A 58 13.768 -5.840 -13.478 1.00 1.03 H new ATOM 0 HH TYR A 58 11.989 -6.896 -12.688 1.00 0.61 H new ATOM 818 N THR A 59 15.280 1.681 -11.890 1.00 0.33 N ATOM 819 CA THR A 59 16.135 2.824 -12.146 1.00 0.38 C ATOM 820 C THR A 59 17.205 2.966 -11.053 1.00 0.38 C ATOM 821 O THR A 59 18.294 3.481 -11.301 1.00 0.44 O ATOM 822 CB THR A 59 15.276 4.102 -12.256 1.00 0.40 C ATOM 823 OG1 THR A 59 14.465 4.030 -13.434 1.00 0.44 O ATOM 824 CG2 THR A 59 16.113 5.365 -12.308 1.00 0.44 C ATOM 0 H THR A 59 14.331 1.925 -11.605 1.00 0.33 H new ATOM 0 HA THR A 59 16.655 2.671 -13.092 1.00 0.38 H new ATOM 0 HB THR A 59 14.658 4.153 -11.360 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.573 3.700 -13.197 1.00 0.44 H new ATOM 0 HG21 THR A 59 15.458 6.233 -12.385 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.712 5.442 -11.401 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.772 5.329 -13.176 1.00 0.44 H new ATOM 832 N LEU A 60 16.909 2.468 -9.857 1.00 0.33 N ATOM 833 CA LEU A 60 17.858 2.542 -8.745 1.00 0.35 C ATOM 834 C LEU A 60 18.813 1.350 -8.727 1.00 0.36 C ATOM 835 O LEU A 60 19.629 1.215 -7.813 1.00 0.45 O ATOM 836 CB LEU A 60 17.123 2.620 -7.405 1.00 0.35 C ATOM 837 CG LEU A 60 16.295 3.878 -7.169 1.00 0.49 C ATOM 838 CD1 LEU A 60 15.743 3.870 -5.757 1.00 0.79 C ATOM 839 CD2 LEU A 60 17.135 5.119 -7.406 1.00 0.76 C ATOM 0 H LEU A 60 16.026 2.011 -9.631 1.00 0.33 H new ATOM 0 HA LEU A 60 18.444 3.449 -8.894 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.465 1.755 -7.323 1.00 0.35 H new ATOM 0 HB3 LEU A 60 17.858 2.537 -6.605 1.00 0.35 H new ATOM 0 HG LEU A 60 15.463 3.892 -7.873 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.152 4.771 -5.592 1.00 0.79 H new ATOM 0 HD12 LEU A 60 15.113 2.992 -5.618 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.567 3.842 -5.044 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.528 6.008 -7.233 1.00 0.76 H new ATOM 0 HD22 LEU A 60 17.983 5.120 -6.722 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.498 5.122 -8.434 1.00 0.76 H new ATOM 851 N SER A 61 18.702 0.498 -9.742 1.00 0.33 N ATOM 852 CA SER A 61 19.554 -0.681 -9.884 1.00 0.36 C ATOM 853 C SER A 61 19.297 -1.682 -8.750 1.00 0.33 C ATOM 854 O SER A 61 20.013 -1.707 -7.746 1.00 0.37 O ATOM 855 CB SER A 61 21.037 -0.280 -9.936 1.00 0.45 C ATOM 856 OG SER A 61 21.874 -1.392 -10.226 1.00 0.64 O ATOM 0 H SER A 61 18.018 0.605 -10.491 1.00 0.33 H new ATOM 0 HA SER A 61 19.302 -1.168 -10.826 1.00 0.36 H new ATOM 0 HB2 SER A 61 21.179 0.490 -10.695 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.330 0.156 -8.981 1.00 0.45 H new ATOM 0 HG SER A 61 22.809 -1.100 -10.253 1.00 0.64 H new ATOM 862 N PRO A 62 18.239 -2.497 -8.887 1.00 0.29 N ATOM 863 CA PRO A 62 17.892 -3.513 -7.898 1.00 0.31 C ATOM 864 C PRO A 62 18.708 -4.795 -8.042 1.00 0.32 C ATOM 865 O PRO A 62 19.178 -5.132 -9.128 1.00 0.46 O ATOM 866 CB PRO A 62 16.420 -3.790 -8.193 1.00 0.37 C ATOM 867 CG PRO A 62 16.261 -3.517 -9.651 1.00 0.36 C ATOM 868 CD PRO A 62 17.284 -2.469 -10.009 1.00 0.29 C ATOM 0 HA PRO A 62 18.094 -3.171 -6.883 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.156 -4.820 -7.953 1.00 0.37 H new ATOM 0 HB3 PRO A 62 15.770 -3.148 -7.598 1.00 0.37 H new ATOM 0 HG2 PRO A 62 16.416 -4.425 -10.234 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.253 -3.165 -9.871 1.00 0.36 H new ATOM 0 HD2 PRO A 62 17.774 -2.698 -10.955 1.00 0.29 H new ATOM 0 HD3 PRO A 62 16.826 -1.486 -10.117 1.00 0.29 H new ATOM 876 N VAL A 63 18.872 -5.503 -6.936 1.00 0.33 N ATOM 877 CA VAL A 63 19.547 -6.781 -6.927 1.00 0.42 C ATOM 878 C VAL A 63 18.612 -7.868 -6.408 1.00 0.44 C ATOM 879 O VAL A 63 18.001 -7.719 -5.352 1.00 0.45 O ATOM 880 CB VAL A 63 20.830 -6.742 -6.068 1.00 0.58 C ATOM 881 CG1 VAL A 63 21.903 -5.896 -6.732 1.00 1.33 C ATOM 882 CG2 VAL A 63 20.543 -6.210 -4.672 1.00 1.28 C ATOM 0 H VAL A 63 18.538 -5.203 -6.020 1.00 0.33 H new ATOM 0 HA VAL A 63 19.835 -7.008 -7.954 1.00 0.42 H new ATOM 0 HB VAL A 63 21.194 -7.766 -5.980 1.00 0.58 H new ATOM 0 HG11 VAL A 63 22.796 -5.885 -6.107 1.00 1.33 H new ATOM 0 HG12 VAL A 63 22.148 -6.318 -7.707 1.00 1.33 H new ATOM 0 HG13 VAL A 63 21.536 -4.877 -6.859 1.00 1.33 H new ATOM 0 HG21 VAL A 63 21.466 -6.195 -4.092 1.00 1.28 H new ATOM 0 HG22 VAL A 63 20.142 -5.199 -4.743 1.00 1.28 H new ATOM 0 HG23 VAL A 63 19.815 -6.855 -4.179 1.00 1.28 H new ATOM 892 N ASN A 64 18.476 -8.932 -7.190 1.00 0.54 N ATOM 893 CA ASN A 64 17.644 -10.083 -6.830 1.00 0.63 C ATOM 894 C ASN A 64 16.182 -9.685 -6.647 1.00 0.55 C ATOM 895 O ASN A 64 15.422 -10.374 -5.967 1.00 0.60 O ATOM 896 CB ASN A 64 18.161 -10.768 -5.557 1.00 0.71 C ATOM 897 CG ASN A 64 19.566 -11.311 -5.705 1.00 1.08 C ATOM 898 OD1 ASN A 64 19.769 -12.393 -6.256 1.00 1.42 O ATOM 899 ND2 ASN A 64 20.539 -10.600 -5.160 1.00 1.67 N ATOM 0 H ASN A 64 18.939 -9.025 -8.094 1.00 0.54 H new ATOM 0 HA ASN A 64 17.707 -10.789 -7.658 1.00 0.63 H new ATOM 0 HB2 ASN A 64 18.138 -10.055 -4.733 1.00 0.71 H new ATOM 0 HB3 ASN A 64 17.488 -11.584 -5.292 1.00 0.71 H new ATOM 0 HD21 ASN A 64 21.499 -10.944 -5.187 1.00 1.67 H new ATOM 0 HD22 ASN A 64 20.330 -9.708 -4.713 1.00 1.67 H new ATOM 906 N GLY A 65 15.786 -8.580 -7.268 1.00 0.49 N ATOM 907 CA GLY A 65 14.406 -8.151 -7.207 1.00 0.50 C ATOM 908 C GLY A 65 14.122 -7.243 -6.026 1.00 0.39 C ATOM 909 O GLY A 65 13.008 -7.219 -5.516 1.00 0.49 O ATOM 0 H GLY A 65 16.399 -7.974 -7.813 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.152 -7.629 -8.130 1.00 0.50 H new ATOM 0 HA3 GLY A 65 13.761 -9.027 -7.149 1.00 0.50 H new ATOM 913 N LYS A 66 15.145 -6.535 -5.561 1.00 0.33 N ATOM 914 CA LYS A 66 14.982 -5.522 -4.522 1.00 0.26 C ATOM 915 C LYS A 66 16.158 -4.573 -4.535 1.00 0.21 C ATOM 916 O LYS A 66 17.273 -4.955 -4.876 1.00 0.27 O ATOM 917 CB LYS A 66 14.831 -6.125 -3.112 1.00 0.30 C ATOM 918 CG LYS A 66 15.962 -7.049 -2.688 1.00 0.75 C ATOM 919 CD LYS A 66 15.816 -8.396 -3.349 1.00 0.61 C ATOM 920 CE LYS A 66 14.606 -9.142 -2.812 1.00 1.21 C ATOM 921 NZ LYS A 66 13.792 -9.760 -3.895 1.00 1.82 N ATOM 0 H LYS A 66 16.104 -6.645 -5.890 1.00 0.33 H new ATOM 0 HA LYS A 66 14.059 -4.989 -4.749 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.756 -5.311 -2.391 1.00 0.30 H new ATOM 0 HB3 LYS A 66 13.893 -6.678 -3.067 1.00 0.30 H new ATOM 0 HG2 LYS A 66 16.921 -6.607 -2.957 1.00 0.75 H new ATOM 0 HG3 LYS A 66 15.958 -7.166 -1.604 1.00 0.75 H new ATOM 0 HD2 LYS A 66 15.718 -8.267 -4.427 1.00 0.61 H new ATOM 0 HD3 LYS A 66 16.716 -8.987 -3.179 1.00 0.61 H new ATOM 0 HE2 LYS A 66 14.938 -9.919 -2.123 1.00 1.21 H new ATOM 0 HE3 LYS A 66 13.983 -8.454 -2.241 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 13.212 -10.527 -3.499 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 13.172 -9.040 -4.317 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 14.423 -10.146 -4.626 1.00 1.82 H new ATOM 935 N ILE A 67 15.903 -3.338 -4.174 1.00 0.18 N ATOM 936 CA ILE A 67 16.955 -2.348 -4.110 1.00 0.20 C ATOM 937 C ILE A 67 17.642 -2.410 -2.762 1.00 0.19 C ATOM 938 O ILE A 67 16.979 -2.461 -1.727 1.00 0.21 O ATOM 939 CB ILE A 67 16.419 -0.921 -4.357 1.00 0.25 C ATOM 940 CG1 ILE A 67 15.120 -0.707 -3.581 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.204 -0.687 -5.846 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.468 0.624 -3.838 1.00 0.35 C ATOM 0 H ILE A 67 14.977 -2.993 -3.920 1.00 0.18 H new ATOM 0 HA ILE A 67 17.670 -2.577 -4.900 1.00 0.20 H new ATOM 0 HB ILE A 67 17.156 -0.200 -4.002 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.419 -1.500 -3.840 1.00 0.29 H new ATOM 0 HG13 ILE A 67 15.326 -0.800 -2.515 1.00 0.29 H new ATOM 0 HG21 ILE A 67 15.826 0.323 -6.005 1.00 0.41 H new ATOM 0 HG22 ILE A 67 17.150 -0.807 -6.374 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.482 -1.409 -6.227 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.552 0.700 -3.251 1.00 0.35 H new ATOM 0 HD12 ILE A 67 15.150 1.425 -3.551 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.229 0.713 -4.898 1.00 0.35 H new ATOM 954 N THR A 68 18.968 -2.444 -2.781 1.00 0.24 N ATOM 955 CA THR A 68 19.742 -2.391 -1.557 1.00 0.30 C ATOM 956 C THR A 68 19.420 -1.095 -0.831 1.00 0.36 C ATOM 957 O THR A 68 19.780 -0.022 -1.299 1.00 0.70 O ATOM 958 CB THR A 68 21.244 -2.481 -1.859 1.00 0.44 C ATOM 959 OG1 THR A 68 21.533 -1.761 -3.066 1.00 0.65 O ATOM 960 CG2 THR A 68 21.682 -3.929 -2.011 1.00 0.55 C ATOM 0 H THR A 68 19.526 -2.508 -3.632 1.00 0.24 H new ATOM 0 HA THR A 68 19.481 -3.240 -0.925 1.00 0.30 H new ATOM 0 HB THR A 68 21.792 -2.042 -1.025 1.00 0.44 H new ATOM 0 HG1 THR A 68 21.071 -0.897 -3.050 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.750 -3.965 -2.225 1.00 0.55 H new ATOM 0 HG22 THR A 68 21.478 -4.470 -1.087 1.00 0.55 H new ATOM 0 HG23 THR A 68 21.132 -4.391 -2.831 1.00 0.55 H new ATOM 968 N GLY A 69 18.761 -1.235 0.320 1.00 0.29 N ATOM 969 CA GLY A 69 18.012 -0.152 0.949 1.00 0.31 C ATOM 970 C GLY A 69 18.663 1.215 0.948 1.00 0.31 C ATOM 971 O GLY A 69 17.958 2.207 0.988 1.00 0.38 O ATOM 0 H GLY A 69 18.733 -2.110 0.844 1.00 0.29 H new ATOM 0 HA2 GLY A 69 17.047 -0.070 0.448 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.812 -0.433 1.983 1.00 0.31 H new ATOM 975 N ALA A 70 19.981 1.279 0.914 1.00 0.33 N ATOM 976 CA ALA A 70 20.686 2.559 0.817 1.00 0.37 C ATOM 977 C ALA A 70 20.135 3.448 -0.317 1.00 0.35 C ATOM 978 O ALA A 70 20.148 4.675 -0.214 1.00 0.39 O ATOM 979 CB ALA A 70 22.169 2.320 0.604 1.00 0.44 C ATOM 0 H ALA A 70 20.592 0.463 0.952 1.00 0.33 H new ATOM 0 HA ALA A 70 20.525 3.088 1.757 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.685 3.277 0.533 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.570 1.753 1.444 1.00 0.44 H new ATOM 0 HB3 ALA A 70 22.318 1.758 -0.318 1.00 0.44 H new ATOM 985 N ASN A 71 19.638 2.823 -1.383 1.00 0.35 N ATOM 986 CA ASN A 71 19.101 3.554 -2.536 1.00 0.37 C ATOM 987 C ASN A 71 17.671 4.025 -2.285 1.00 0.34 C ATOM 988 O ASN A 71 17.291 5.123 -2.681 1.00 0.34 O ATOM 989 CB ASN A 71 19.157 2.695 -3.804 1.00 0.47 C ATOM 990 CG ASN A 71 18.628 1.294 -3.608 1.00 1.01 C ATOM 991 OD1 ASN A 71 17.752 1.046 -2.785 1.00 2.11 O ATOM 992 ND2 ASN A 71 19.185 0.354 -4.349 1.00 1.00 N ATOM 0 H ASN A 71 19.595 1.808 -1.475 1.00 0.35 H new ATOM 0 HA ASN A 71 19.728 4.434 -2.680 1.00 0.37 H new ATOM 0 HB2 ASN A 71 18.583 3.185 -4.590 1.00 0.47 H new ATOM 0 HB3 ASN A 71 20.189 2.640 -4.150 1.00 0.47 H new ATOM 0 HD21 ASN A 71 18.890 -0.617 -4.248 1.00 1.00 H new ATOM 0 HD22 ASN A 71 19.911 0.599 -5.023 1.00 1.00 H new ATOM 999 N ALA A 72 16.882 3.195 -1.622 1.00 0.35 N ATOM 1000 CA ALA A 72 15.522 3.560 -1.266 1.00 0.35 C ATOM 1001 C ALA A 72 15.557 4.638 -0.209 1.00 0.31 C ATOM 1002 O ALA A 72 14.720 5.539 -0.182 1.00 0.30 O ATOM 1003 CB ALA A 72 14.765 2.343 -0.772 1.00 0.42 C ATOM 0 H ALA A 72 17.162 2.262 -1.319 1.00 0.35 H new ATOM 0 HA ALA A 72 15.004 3.943 -2.145 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.747 2.630 -0.508 1.00 0.42 H new ATOM 0 HB2 ALA A 72 14.737 1.588 -1.558 1.00 0.42 H new ATOM 0 HB3 ALA A 72 15.266 1.935 0.106 1.00 0.42 H new ATOM 1009 N LYS A 73 16.559 4.539 0.651 1.00 0.31 N ATOM 1010 CA LYS A 73 16.803 5.558 1.658 1.00 0.31 C ATOM 1011 C LYS A 73 17.161 6.857 0.964 1.00 0.29 C ATOM 1012 O LYS A 73 16.717 7.926 1.362 1.00 0.30 O ATOM 1013 CB LYS A 73 17.930 5.145 2.611 1.00 0.37 C ATOM 1014 CG LYS A 73 17.625 3.899 3.423 1.00 0.39 C ATOM 1015 CD LYS A 73 16.309 4.030 4.167 1.00 0.44 C ATOM 1016 CE LYS A 73 16.425 4.900 5.409 1.00 0.85 C ATOM 1017 NZ LYS A 73 17.329 4.297 6.428 1.00 1.69 N ATOM 0 H LYS A 73 17.218 3.760 0.671 1.00 0.31 H new ATOM 0 HA LYS A 73 15.899 5.686 2.253 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.838 4.976 2.032 1.00 0.37 H new ATOM 0 HB3 LYS A 73 18.136 5.970 3.293 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.586 3.033 2.762 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.431 3.721 4.135 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.559 4.454 3.499 1.00 0.44 H new ATOM 0 HD3 LYS A 73 15.957 3.039 4.453 1.00 0.44 H new ATOM 0 HE2 LYS A 73 16.800 5.884 5.129 1.00 0.85 H new ATOM 0 HE3 LYS A 73 15.436 5.047 5.843 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 17.141 4.726 7.356 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 17.159 3.272 6.480 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 18.319 4.471 6.160 1.00 1.69 H new ATOM 1031 N LYS A 74 17.939 6.735 -0.104 1.00 0.31 N ATOM 1032 CA LYS A 74 18.337 7.874 -0.916 1.00 0.34 C ATOM 1033 C LYS A 74 17.103 8.614 -1.400 1.00 0.31 C ATOM 1034 O LYS A 74 17.007 9.835 -1.277 1.00 0.33 O ATOM 1035 CB LYS A 74 19.136 7.390 -2.128 1.00 0.44 C ATOM 1036 CG LYS A 74 20.003 8.461 -2.753 1.00 0.83 C ATOM 1037 CD LYS A 74 21.150 8.824 -1.832 1.00 1.02 C ATOM 1038 CE LYS A 74 22.071 7.635 -1.584 1.00 0.96 C ATOM 1039 NZ LYS A 74 22.772 7.196 -2.821 1.00 1.35 N ATOM 0 H LYS A 74 18.311 5.843 -0.430 1.00 0.31 H new ATOM 0 HA LYS A 74 18.953 8.542 -0.313 1.00 0.34 H new ATOM 0 HB2 LYS A 74 19.768 6.555 -1.825 1.00 0.44 H new ATOM 0 HB3 LYS A 74 18.444 7.011 -2.880 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.394 8.109 -3.708 1.00 0.83 H new ATOM 0 HG3 LYS A 74 19.403 9.347 -2.961 1.00 0.83 H new ATOM 0 HD2 LYS A 74 21.722 9.643 -2.268 1.00 1.02 H new ATOM 0 HD3 LYS A 74 20.754 9.182 -0.882 1.00 1.02 H new ATOM 0 HE2 LYS A 74 22.808 7.901 -0.826 1.00 0.96 H new ATOM 0 HE3 LYS A 74 21.489 6.804 -1.185 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 23.485 6.478 -2.580 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 22.082 6.790 -3.485 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 23.240 8.013 -3.264 1.00 1.35 H new ATOM 1053 N GLU A 75 16.161 7.847 -1.934 1.00 0.34 N ATOM 1054 CA GLU A 75 14.910 8.404 -2.459 1.00 0.38 C ATOM 1055 C GLU A 75 14.107 9.130 -1.379 1.00 0.34 C ATOM 1056 O GLU A 75 13.727 10.297 -1.546 1.00 0.38 O ATOM 1057 CB GLU A 75 14.049 7.324 -3.133 1.00 0.47 C ATOM 1058 CG GLU A 75 14.693 6.711 -4.371 1.00 0.62 C ATOM 1059 CD GLU A 75 15.474 7.730 -5.195 1.00 0.96 C ATOM 1060 OE1 GLU A 75 14.855 8.455 -6.001 1.00 1.48 O ATOM 1061 OE2 GLU A 75 16.713 7.824 -5.028 1.00 1.36 O ATOM 0 H GLU A 75 16.235 6.833 -2.017 1.00 0.34 H new ATOM 0 HA GLU A 75 15.191 9.138 -3.215 1.00 0.38 H new ATOM 0 HB2 GLU A 75 13.844 6.533 -2.412 1.00 0.47 H new ATOM 0 HB3 GLU A 75 13.089 7.759 -3.411 1.00 0.47 H new ATOM 0 HG2 GLU A 75 15.362 5.907 -4.067 1.00 0.62 H new ATOM 0 HG3 GLU A 75 13.919 6.263 -4.994 1.00 0.62 H new ATOM 1068 N MET A 76 13.864 8.460 -0.262 1.00 0.31 N ATOM 1069 CA MET A 76 13.070 9.054 0.811 1.00 0.32 C ATOM 1070 C MET A 76 13.820 10.205 1.494 1.00 0.31 C ATOM 1071 O MET A 76 13.196 11.100 2.061 1.00 0.36 O ATOM 1072 CB MET A 76 12.632 7.990 1.827 1.00 0.33 C ATOM 1073 CG MET A 76 13.731 7.027 2.218 1.00 0.50 C ATOM 1074 SD MET A 76 13.198 5.811 3.444 1.00 0.65 S ATOM 1075 CE MET A 76 11.998 4.866 2.502 1.00 0.46 C ATOM 0 H MET A 76 14.199 7.515 -0.073 1.00 0.31 H new ATOM 0 HA MET A 76 12.170 9.475 0.362 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.263 8.488 2.724 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.798 7.425 1.410 1.00 0.33 H new ATOM 0 HG2 MET A 76 14.085 6.507 1.328 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.576 7.590 2.615 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.570 4.089 3.135 1.00 0.46 H new ATOM 0 HE2 MET A 76 11.205 5.528 2.154 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.489 4.406 1.644 1.00 0.46 H new ATOM 1085 N VAL A 77 15.148 10.196 1.417 1.00 0.30 N ATOM 1086 CA VAL A 77 15.951 11.313 1.930 1.00 0.34 C ATOM 1087 C VAL A 77 15.832 12.528 1.012 1.00 0.37 C ATOM 1088 O VAL A 77 15.562 13.639 1.472 1.00 0.41 O ATOM 1089 CB VAL A 77 17.454 10.953 2.086 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.291 12.205 2.331 1.00 0.59 C ATOM 1091 CG2 VAL A 77 17.657 9.976 3.232 1.00 0.42 C ATOM 0 H VAL A 77 15.692 9.436 1.008 1.00 0.30 H new ATOM 0 HA VAL A 77 15.552 11.542 2.918 1.00 0.34 H new ATOM 0 HB VAL A 77 17.780 10.486 1.157 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.340 11.927 2.437 1.00 0.59 H new ATOM 0 HG12 VAL A 77 18.180 12.887 1.488 1.00 0.59 H new ATOM 0 HG13 VAL A 77 17.952 12.696 3.243 1.00 0.59 H new ATOM 0 HG21 VAL A 77 18.717 9.737 3.323 1.00 0.42 H new ATOM 0 HG22 VAL A 77 17.305 10.426 4.160 1.00 0.42 H new ATOM 0 HG23 VAL A 77 17.095 9.063 3.035 1.00 0.42 H new ATOM 1101 N LYS A 78 16.015 12.304 -0.288 1.00 0.39 N ATOM 1102 CA LYS A 78 15.987 13.387 -1.269 1.00 0.45 C ATOM 1103 C LYS A 78 14.577 13.957 -1.386 1.00 0.48 C ATOM 1104 O LYS A 78 14.362 15.005 -1.993 1.00 0.59 O ATOM 1105 CB LYS A 78 16.467 12.892 -2.635 1.00 0.54 C ATOM 1106 CG LYS A 78 15.399 12.154 -3.421 1.00 0.76 C ATOM 1107 CD LYS A 78 15.972 10.974 -4.177 1.00 0.84 C ATOM 1108 CE LYS A 78 16.966 11.376 -5.242 1.00 1.08 C ATOM 1109 NZ LYS A 78 17.238 10.246 -6.172 1.00 1.20 N ATOM 0 H LYS A 78 16.185 11.381 -0.687 1.00 0.39 H new ATOM 0 HA LYS A 78 16.661 14.174 -0.929 1.00 0.45 H new ATOM 0 HB2 LYS A 78 16.814 13.744 -3.220 1.00 0.54 H new ATOM 0 HB3 LYS A 78 17.323 12.233 -2.493 1.00 0.54 H new ATOM 0 HG2 LYS A 78 14.622 11.807 -2.740 1.00 0.76 H new ATOM 0 HG3 LYS A 78 14.925 12.840 -4.123 1.00 0.76 H new ATOM 0 HD2 LYS A 78 16.458 10.300 -3.472 1.00 0.84 H new ATOM 0 HD3 LYS A 78 15.158 10.417 -4.641 1.00 0.84 H new ATOM 0 HE2 LYS A 78 16.580 12.228 -5.802 1.00 1.08 H new ATOM 0 HE3 LYS A 78 17.896 11.698 -4.773 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 18.112 10.436 -6.703 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 17.349 9.367 -5.627 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 16.444 10.144 -6.836 1.00 1.20 H new ATOM 1123 N SER A 79 13.610 13.246 -0.804 1.00 0.44 N ATOM 1124 CA SER A 79 12.245 13.734 -0.728 1.00 0.51 C ATOM 1125 C SER A 79 12.170 14.943 0.217 1.00 0.55 C ATOM 1126 O SER A 79 11.145 15.629 0.286 1.00 0.64 O ATOM 1127 CB SER A 79 11.304 12.619 -0.258 1.00 0.53 C ATOM 1128 OG SER A 79 9.968 12.877 -0.661 1.00 1.37 O ATOM 0 H SER A 79 13.754 12.330 -0.380 1.00 0.44 H new ATOM 0 HA SER A 79 11.928 14.050 -1.722 1.00 0.51 H new ATOM 0 HB2 SER A 79 11.633 11.664 -0.668 1.00 0.53 H new ATOM 0 HB3 SER A 79 11.350 12.533 0.828 1.00 0.53 H new ATOM 0 HG SER A 79 9.810 12.480 -1.543 1.00 1.37 H new ATOM 1134 N LYS A 80 13.278 15.196 0.929 1.00 0.54 N ATOM 1135 CA LYS A 80 13.422 16.352 1.817 1.00 0.61 C ATOM 1136 C LYS A 80 12.605 16.169 3.086 1.00 0.62 C ATOM 1137 O LYS A 80 11.548 16.778 3.255 1.00 0.75 O ATOM 1138 CB LYS A 80 13.043 17.660 1.110 1.00 0.70 C ATOM 1139 CG LYS A 80 14.006 18.043 0.000 1.00 1.01 C ATOM 1140 CD LYS A 80 13.450 19.151 -0.881 1.00 1.31 C ATOM 1141 CE LYS A 80 12.476 18.620 -1.926 1.00 1.94 C ATOM 1142 NZ LYS A 80 11.233 18.055 -1.328 1.00 2.65 N ATOM 0 H LYS A 80 14.104 14.598 0.902 1.00 0.54 H new ATOM 0 HA LYS A 80 14.474 16.420 2.094 1.00 0.61 H new ATOM 0 HB2 LYS A 80 12.040 17.563 0.694 1.00 0.70 H new ATOM 0 HB3 LYS A 80 13.007 18.465 1.844 1.00 0.70 H new ATOM 0 HG2 LYS A 80 14.951 18.367 0.436 1.00 1.01 H new ATOM 0 HG3 LYS A 80 14.221 17.167 -0.612 1.00 1.01 H new ATOM 0 HD2 LYS A 80 12.945 19.890 -0.258 1.00 1.31 H new ATOM 0 HD3 LYS A 80 14.272 19.663 -1.380 1.00 1.31 H new ATOM 0 HE2 LYS A 80 12.210 19.426 -2.610 1.00 1.94 H new ATOM 0 HE3 LYS A 80 12.971 17.850 -2.518 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 10.465 18.087 -2.029 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 11.402 17.069 -1.044 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 10.964 18.614 -0.494 1.00 2.65 H new ATOM 1156 N LEU A 81 13.088 15.290 3.957 1.00 0.66 N ATOM 1157 CA LEU A 81 12.388 14.962 5.196 1.00 0.69 C ATOM 1158 C LEU A 81 13.355 14.902 6.369 1.00 0.73 C ATOM 1159 O LEU A 81 14.569 14.823 6.179 1.00 0.75 O ATOM 1160 CB LEU A 81 11.712 13.598 5.077 1.00 0.70 C ATOM 1161 CG LEU A 81 10.808 13.413 3.873 1.00 0.68 C ATOM 1162 CD1 LEU A 81 10.466 11.948 3.708 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.542 14.234 4.043 1.00 1.08 C ATOM 0 H LEU A 81 13.967 14.789 3.828 1.00 0.66 H new ATOM 0 HA LEU A 81 11.647 15.743 5.367 1.00 0.69 H new ATOM 0 HB2 LEU A 81 12.486 12.831 5.048 1.00 0.70 H new ATOM 0 HB3 LEU A 81 11.125 13.424 5.979 1.00 0.70 H new ATOM 0 HG LEU A 81 11.329 13.756 2.979 1.00 0.68 H new ATOM 0 HD11 LEU A 81 9.817 11.821 2.842 1.00 1.16 H new ATOM 0 HD12 LEU A 81 11.382 11.375 3.562 1.00 1.16 H new ATOM 0 HD13 LEU A 81 9.953 11.591 4.601 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.899 14.095 3.174 1.00 1.08 H new ATOM 0 HD22 LEU A 81 9.015 13.909 4.940 1.00 1.08 H new ATOM 0 HD23 LEU A 81 9.802 15.288 4.137 1.00 1.08 H new ATOM 1175 N PRO A 82 12.821 14.949 7.600 1.00 0.78 N ATOM 1176 CA PRO A 82 13.587 14.634 8.803 1.00 0.84 C ATOM 1177 C PRO A 82 13.707 13.122 9.009 1.00 0.75 C ATOM 1178 O PRO A 82 13.012 12.343 8.353 1.00 0.70 O ATOM 1179 CB PRO A 82 12.751 15.265 9.918 1.00 0.95 C ATOM 1180 CG PRO A 82 11.352 15.212 9.414 1.00 0.91 C ATOM 1181 CD PRO A 82 11.432 15.342 7.919 1.00 0.82 C ATOM 0 HA PRO A 82 14.611 15.005 8.762 1.00 0.84 H new ATOM 0 HB2 PRO A 82 12.857 14.714 10.853 1.00 0.95 H new ATOM 0 HB3 PRO A 82 13.063 16.291 10.115 1.00 0.95 H new ATOM 0 HG2 PRO A 82 10.873 14.275 9.697 1.00 0.91 H new ATOM 0 HG3 PRO A 82 10.755 16.017 9.842 1.00 0.91 H new ATOM 0 HD2 PRO A 82 10.710 14.694 7.423 1.00 0.82 H new ATOM 0 HD3 PRO A 82 11.221 16.361 7.595 1.00 0.82 H new ATOM 1189 N ASN A 83 14.567 12.712 9.930 1.00 0.79 N ATOM 1190 CA ASN A 83 14.810 11.292 10.183 1.00 0.72 C ATOM 1191 C ASN A 83 13.574 10.595 10.721 1.00 0.65 C ATOM 1192 O ASN A 83 13.408 9.393 10.544 1.00 0.61 O ATOM 1193 CB ASN A 83 15.947 11.105 11.181 1.00 0.82 C ATOM 1194 CG ASN A 83 17.297 11.516 10.629 1.00 1.10 C ATOM 1195 OD1 ASN A 83 18.164 11.976 11.370 1.00 1.53 O ATOM 1196 ND2 ASN A 83 17.497 11.344 9.327 1.00 1.16 N ATOM 0 H ASN A 83 15.112 13.342 10.518 1.00 0.79 H new ATOM 0 HA ASN A 83 15.079 10.847 9.225 1.00 0.72 H new ATOM 0 HB2 ASN A 83 15.735 11.688 12.077 1.00 0.82 H new ATOM 0 HB3 ASN A 83 15.988 10.059 11.484 1.00 0.82 H new ATOM 0 HD21 ASN A 83 18.393 11.596 8.911 1.00 1.16 H new ATOM 0 HD22 ASN A 83 16.754 10.960 8.743 1.00 1.16 H new ATOM 1203 N THR A 84 12.716 11.353 11.381 1.00 0.67 N ATOM 1204 CA THR A 84 11.498 10.808 11.952 1.00 0.67 C ATOM 1205 C THR A 84 10.584 10.261 10.862 1.00 0.58 C ATOM 1206 O THR A 84 10.130 9.113 10.930 1.00 0.53 O ATOM 1207 CB THR A 84 10.763 11.885 12.763 1.00 0.77 C ATOM 1208 OG1 THR A 84 10.706 13.107 12.017 1.00 1.11 O ATOM 1209 CG2 THR A 84 11.459 12.132 14.088 1.00 1.24 C ATOM 0 H THR A 84 12.842 12.353 11.535 1.00 0.67 H new ATOM 0 HA THR A 84 11.771 9.987 12.615 1.00 0.67 H new ATOM 0 HB THR A 84 9.751 11.531 12.961 1.00 0.77 H new ATOM 0 HG1 THR A 84 10.234 13.788 12.540 1.00 1.11 H new ATOM 0 HG21 THR A 84 10.920 12.899 14.645 1.00 1.24 H new ATOM 0 HG22 THR A 84 11.477 11.209 14.667 1.00 1.24 H new ATOM 0 HG23 THR A 84 12.480 12.466 13.906 1.00 1.24 H new ATOM 1217 N VAL A 85 10.335 11.080 9.849 1.00 0.59 N ATOM 1218 CA VAL A 85 9.516 10.670 8.722 1.00 0.55 C ATOM 1219 C VAL A 85 10.227 9.575 7.934 1.00 0.49 C ATOM 1220 O VAL A 85 9.612 8.582 7.565 1.00 0.45 O ATOM 1221 CB VAL A 85 9.186 11.864 7.800 1.00 0.60 C ATOM 1222 CG1 VAL A 85 8.262 11.434 6.671 1.00 0.56 C ATOM 1223 CG2 VAL A 85 8.563 13.000 8.598 1.00 0.72 C ATOM 0 H VAL A 85 10.691 12.034 9.787 1.00 0.59 H new ATOM 0 HA VAL A 85 8.575 10.281 9.111 1.00 0.55 H new ATOM 0 HB VAL A 85 10.117 12.223 7.361 1.00 0.60 H new ATOM 0 HG11 VAL A 85 8.043 12.291 6.034 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.747 10.657 6.080 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.333 11.046 7.089 1.00 0.56 H new ATOM 0 HG21 VAL A 85 8.338 13.832 7.931 1.00 0.72 H new ATOM 0 HG22 VAL A 85 7.643 12.652 9.068 1.00 0.72 H new ATOM 0 HG23 VAL A 85 9.261 13.330 9.367 1.00 0.72 H new ATOM 1233 N LEU A 86 11.526 9.760 7.708 1.00 0.50 N ATOM 1234 CA LEU A 86 12.374 8.728 7.101 1.00 0.50 C ATOM 1235 C LEU A 86 12.161 7.385 7.784 1.00 0.40 C ATOM 1236 O LEU A 86 11.866 6.377 7.137 1.00 0.38 O ATOM 1237 CB LEU A 86 13.849 9.107 7.241 1.00 0.62 C ATOM 1238 CG LEU A 86 14.503 9.760 6.021 1.00 0.72 C ATOM 1239 CD1 LEU A 86 14.696 8.741 4.919 1.00 1.45 C ATOM 1240 CD2 LEU A 86 13.677 10.931 5.522 1.00 1.34 C ATOM 0 H LEU A 86 12.021 10.622 7.937 1.00 0.50 H new ATOM 0 HA LEU A 86 12.102 8.652 6.048 1.00 0.50 H new ATOM 0 HB2 LEU A 86 13.948 9.787 8.087 1.00 0.62 H new ATOM 0 HB3 LEU A 86 14.411 8.207 7.489 1.00 0.62 H new ATOM 0 HG LEU A 86 15.479 10.140 6.322 1.00 0.72 H new ATOM 0 HD11 LEU A 86 15.162 9.220 4.058 1.00 1.45 H new ATOM 0 HD12 LEU A 86 15.337 7.935 5.277 1.00 1.45 H new ATOM 0 HD13 LEU A 86 13.728 8.333 4.627 1.00 1.45 H new ATOM 0 HD21 LEU A 86 14.164 11.377 4.655 1.00 1.34 H new ATOM 0 HD22 LEU A 86 12.684 10.582 5.240 1.00 1.34 H new ATOM 0 HD23 LEU A 86 13.589 11.677 6.312 1.00 1.34 H new ATOM 1252 N GLY A 87 12.305 7.399 9.105 1.00 0.39 N ATOM 1253 CA GLY A 87 12.214 6.195 9.892 1.00 0.39 C ATOM 1254 C GLY A 87 10.881 5.499 9.753 1.00 0.33 C ATOM 1255 O GLY A 87 10.834 4.286 9.558 1.00 0.37 O ATOM 0 H GLY A 87 12.486 8.243 9.648 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.008 5.511 9.593 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.383 6.439 10.941 1.00 0.39 H new ATOM 1259 N LYS A 88 9.790 6.252 9.831 1.00 0.34 N ATOM 1260 CA LYS A 88 8.482 5.626 9.804 1.00 0.37 C ATOM 1261 C LYS A 88 8.008 5.338 8.385 1.00 0.34 C ATOM 1262 O LYS A 88 7.159 4.477 8.192 1.00 0.41 O ATOM 1263 CB LYS A 88 7.433 6.421 10.587 1.00 0.49 C ATOM 1264 CG LYS A 88 7.084 7.774 10.003 1.00 0.65 C ATOM 1265 CD LYS A 88 5.890 8.369 10.739 1.00 0.98 C ATOM 1266 CE LYS A 88 5.606 9.814 10.348 1.00 1.52 C ATOM 1267 NZ LYS A 88 4.548 10.409 11.212 1.00 1.66 N ATOM 0 H LYS A 88 9.786 7.269 9.911 1.00 0.34 H new ATOM 0 HA LYS A 88 8.601 4.667 10.309 1.00 0.37 H new ATOM 0 HB2 LYS A 88 6.523 5.825 10.653 1.00 0.49 H new ATOM 0 HB3 LYS A 88 7.794 6.564 11.605 1.00 0.49 H new ATOM 0 HG2 LYS A 88 7.940 8.444 10.081 1.00 0.65 H new ATOM 0 HG3 LYS A 88 6.854 7.673 8.942 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.007 7.764 10.535 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.071 8.318 11.813 1.00 0.98 H new ATOM 0 HE2 LYS A 88 6.520 10.402 10.431 1.00 1.52 H new ATOM 0 HE3 LYS A 88 5.293 9.856 9.305 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 4.747 11.419 11.359 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 3.622 10.302 10.751 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 4.535 9.922 12.131 1.00 1.66 H new ATOM 1281 N ILE A 89 8.555 6.035 7.394 1.00 0.30 N ATOM 1282 CA ILE A 89 8.281 5.681 6.009 1.00 0.31 C ATOM 1283 C ILE A 89 8.907 4.329 5.715 1.00 0.26 C ATOM 1284 O ILE A 89 8.274 3.452 5.128 1.00 0.28 O ATOM 1285 CB ILE A 89 8.817 6.732 5.004 1.00 0.37 C ATOM 1286 CG1 ILE A 89 7.988 8.017 5.083 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.814 6.187 3.577 1.00 0.56 C ATOM 1288 CD1 ILE A 89 8.382 9.059 4.061 1.00 1.15 C ATOM 0 H ILE A 89 9.178 6.832 7.521 1.00 0.30 H new ATOM 0 HA ILE A 89 7.199 5.645 5.884 1.00 0.31 H new ATOM 0 HB ILE A 89 9.848 6.959 5.275 1.00 0.37 H new ATOM 0 HG12 ILE A 89 6.935 7.768 4.948 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.089 8.443 6.081 1.00 0.71 H new ATOM 0 HG21 ILE A 89 9.195 6.948 2.896 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.448 5.302 3.524 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.796 5.922 3.291 1.00 0.56 H new ATOM 0 HD11 ILE A 89 7.751 9.940 4.178 1.00 1.15 H new ATOM 0 HD12 ILE A 89 9.426 9.337 4.209 1.00 1.15 H new ATOM 0 HD13 ILE A 89 8.254 8.652 3.058 1.00 1.15 H new ATOM 1300 N TRP A 90 10.147 4.160 6.161 1.00 0.24 N ATOM 1301 CA TRP A 90 10.850 2.898 5.987 1.00 0.22 C ATOM 1302 C TRP A 90 10.151 1.766 6.727 1.00 0.23 C ATOM 1303 O TRP A 90 9.816 0.754 6.134 1.00 0.25 O ATOM 1304 CB TRP A 90 12.286 3.000 6.481 1.00 0.22 C ATOM 1305 CG TRP A 90 13.078 1.754 6.230 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.364 0.763 7.131 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.676 1.359 4.992 1.00 0.21 C ATOM 1308 NE1 TRP A 90 14.119 -0.218 6.526 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.325 0.130 5.211 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.727 1.932 3.716 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 15.025 -0.533 4.203 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.420 1.273 2.718 1.00 0.28 C ATOM 1313 CH2 TRP A 90 15.062 0.056 2.965 1.00 0.30 C ATOM 0 H TRP A 90 10.684 4.880 6.644 1.00 0.24 H new ATOM 0 HA TRP A 90 10.849 2.679 4.919 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.775 3.841 5.989 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.283 3.214 7.550 1.00 0.22 H new ATOM 0 HD1 TRP A 90 13.045 0.752 8.163 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.468 -1.063 6.979 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.234 2.872 3.515 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.519 -1.475 4.390 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.466 1.706 1.730 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.598 -0.431 2.164 1.00 0.30 H new ATOM 1324 N LYS A 91 9.930 1.951 8.023 1.00 0.26 N ATOM 1325 CA LYS A 91 9.394 0.884 8.859 1.00 0.30 C ATOM 1326 C LYS A 91 7.921 0.617 8.559 1.00 0.31 C ATOM 1327 O LYS A 91 7.357 -0.356 9.051 1.00 0.42 O ATOM 1328 CB LYS A 91 9.602 1.198 10.340 1.00 0.40 C ATOM 1329 CG LYS A 91 8.777 2.358 10.860 1.00 1.08 C ATOM 1330 CD LYS A 91 9.067 2.629 12.324 1.00 1.26 C ATOM 1331 CE LYS A 91 8.160 3.717 12.863 1.00 2.03 C ATOM 1332 NZ LYS A 91 8.431 4.018 14.295 1.00 2.54 N ATOM 0 H LYS A 91 10.113 2.825 8.516 1.00 0.26 H new ATOM 0 HA LYS A 91 9.944 -0.026 8.621 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.363 0.309 10.924 1.00 0.40 H new ATOM 0 HB3 LYS A 91 10.657 1.415 10.507 1.00 0.40 H new ATOM 0 HG2 LYS A 91 8.992 3.251 10.273 1.00 1.08 H new ATOM 0 HG3 LYS A 91 7.717 2.139 10.732 1.00 1.08 H new ATOM 0 HD2 LYS A 91 8.928 1.715 12.902 1.00 1.26 H new ATOM 0 HD3 LYS A 91 10.109 2.926 12.443 1.00 1.26 H new ATOM 0 HE2 LYS A 91 8.292 4.623 12.272 1.00 2.03 H new ATOM 0 HE3 LYS A 91 7.120 3.410 12.749 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 7.787 4.767 14.620 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 8.280 3.161 14.864 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 9.415 4.336 14.403 1.00 2.54 H new ATOM 1346 N LEU A 92 7.295 1.487 7.775 1.00 0.27 N ATOM 1347 CA LEU A 92 5.938 1.235 7.314 1.00 0.33 C ATOM 1348 C LEU A 92 5.976 0.525 5.962 1.00 0.34 C ATOM 1349 O LEU A 92 5.114 -0.303 5.664 1.00 0.47 O ATOM 1350 CB LEU A 92 5.146 2.541 7.194 1.00 0.37 C ATOM 1351 CG LEU A 92 3.617 2.418 7.337 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.233 2.150 8.785 1.00 0.86 C ATOM 1353 CD2 LEU A 92 2.918 3.676 6.838 1.00 0.61 C ATOM 0 H LEU A 92 7.701 2.364 7.449 1.00 0.27 H new ATOM 0 HA LEU A 92 5.439 0.600 8.046 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.508 3.233 7.954 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.366 2.988 6.225 1.00 0.37 H new ATOM 0 HG LEU A 92 3.293 1.577 6.725 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.149 2.067 8.865 1.00 0.86 H new ATOM 0 HD12 LEU A 92 3.694 1.220 9.117 1.00 0.86 H new ATOM 0 HD13 LEU A 92 3.581 2.971 9.412 1.00 0.86 H new ATOM 0 HD21 LEU A 92 1.840 3.562 6.950 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.255 4.534 7.419 1.00 0.61 H new ATOM 0 HD23 LEU A 92 3.158 3.833 5.787 1.00 0.61 H new ATOM 1365 N ALA A 93 6.976 0.857 5.141 1.00 0.30 N ATOM 1366 CA ALA A 93 7.106 0.243 3.826 1.00 0.37 C ATOM 1367 C ALA A 93 7.807 -1.112 3.894 1.00 0.37 C ATOM 1368 O ALA A 93 7.368 -2.083 3.276 1.00 0.45 O ATOM 1369 CB ALA A 93 7.861 1.168 2.893 1.00 0.43 C ATOM 0 H ALA A 93 7.699 1.541 5.365 1.00 0.30 H new ATOM 0 HA ALA A 93 6.100 0.075 3.442 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.953 0.700 1.913 1.00 0.43 H new ATOM 0 HB2 ALA A 93 7.319 2.109 2.797 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.855 1.361 3.298 1.00 0.43 H new ATOM 1375 N ASP A 94 8.887 -1.180 4.657 1.00 0.32 N ATOM 1376 CA ASP A 94 9.624 -2.423 4.823 1.00 0.38 C ATOM 1377 C ASP A 94 9.087 -3.150 6.035 1.00 0.45 C ATOM 1378 O ASP A 94 9.676 -3.120 7.108 1.00 0.49 O ATOM 1379 CB ASP A 94 11.132 -2.160 4.966 1.00 0.35 C ATOM 1380 CG ASP A 94 11.981 -3.419 4.927 1.00 0.47 C ATOM 1381 OD1 ASP A 94 11.540 -4.442 4.343 1.00 0.61 O ATOM 1382 OD2 ASP A 94 13.104 -3.396 5.470 1.00 0.62 O ATOM 0 H ASP A 94 9.273 -0.388 5.171 1.00 0.32 H new ATOM 0 HA ASP A 94 9.489 -3.042 3.936 1.00 0.38 H new ATOM 0 HB2 ASP A 94 11.452 -1.492 4.166 1.00 0.35 H new ATOM 0 HB3 ASP A 94 11.313 -1.640 5.907 1.00 0.35 H new ATOM 1387 N VAL A 95 7.927 -3.760 5.859 1.00 0.64 N ATOM 1388 CA VAL A 95 7.282 -4.516 6.924 1.00 0.79 C ATOM 1389 C VAL A 95 8.131 -5.721 7.293 1.00 0.74 C ATOM 1390 O VAL A 95 8.074 -6.232 8.410 1.00 0.88 O ATOM 1391 CB VAL A 95 5.887 -4.997 6.479 1.00 1.07 C ATOM 1392 CG1 VAL A 95 5.114 -5.568 7.656 1.00 1.76 C ATOM 1393 CG2 VAL A 95 5.120 -3.864 5.822 1.00 1.57 C ATOM 0 H VAL A 95 7.407 -3.747 4.981 1.00 0.64 H new ATOM 0 HA VAL A 95 7.175 -3.863 7.790 1.00 0.79 H new ATOM 0 HB VAL A 95 6.014 -5.792 5.745 1.00 1.07 H new ATOM 0 HG11 VAL A 95 4.132 -5.901 7.319 1.00 1.76 H new ATOM 0 HG12 VAL A 95 5.660 -6.413 8.075 1.00 1.76 H new ATOM 0 HG13 VAL A 95 4.994 -4.800 8.420 1.00 1.76 H new ATOM 0 HG21 VAL A 95 4.137 -4.221 5.514 1.00 1.57 H new ATOM 0 HG22 VAL A 95 5.003 -3.045 6.531 1.00 1.57 H new ATOM 0 HG23 VAL A 95 5.669 -3.512 4.948 1.00 1.57 H new ATOM 1403 N ASP A 96 8.923 -6.151 6.329 1.00 0.68 N ATOM 1404 CA ASP A 96 9.806 -7.289 6.493 1.00 0.73 C ATOM 1405 C ASP A 96 11.065 -6.877 7.255 1.00 0.60 C ATOM 1406 O ASP A 96 11.683 -7.691 7.945 1.00 0.68 O ATOM 1407 CB ASP A 96 10.151 -7.807 5.104 1.00 0.94 C ATOM 1408 CG ASP A 96 11.141 -8.951 5.109 1.00 1.04 C ATOM 1409 OD1 ASP A 96 10.727 -10.112 5.334 1.00 1.70 O ATOM 1410 OD2 ASP A 96 12.330 -8.691 4.868 1.00 1.40 O ATOM 0 H ASP A 96 8.972 -5.719 5.406 1.00 0.68 H new ATOM 0 HA ASP A 96 9.321 -8.074 7.073 1.00 0.73 H new ATOM 0 HB2 ASP A 96 9.236 -8.133 4.610 1.00 0.94 H new ATOM 0 HB3 ASP A 96 10.559 -6.988 4.512 1.00 0.94 H new ATOM 1415 N LYS A 97 11.400 -5.589 7.156 1.00 0.48 N ATOM 1416 CA LYS A 97 12.500 -4.987 7.913 1.00 0.46 C ATOM 1417 C LYS A 97 13.811 -5.722 7.673 1.00 0.46 C ATOM 1418 O LYS A 97 14.303 -6.471 8.529 1.00 0.70 O ATOM 1419 CB LYS A 97 12.137 -4.919 9.390 1.00 0.59 C ATOM 1420 CG LYS A 97 10.833 -4.176 9.596 1.00 0.67 C ATOM 1421 CD LYS A 97 10.398 -4.142 11.046 1.00 0.82 C ATOM 1422 CE LYS A 97 8.986 -3.594 11.167 1.00 1.34 C ATOM 1423 NZ LYS A 97 8.563 -3.467 12.582 1.00 1.74 N ATOM 0 H LYS A 97 10.914 -4.931 6.546 1.00 0.48 H new ATOM 0 HA LYS A 97 12.654 -3.968 7.558 1.00 0.46 H new ATOM 0 HB2 LYS A 97 12.052 -5.928 9.794 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.934 -4.421 9.941 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.941 -3.155 9.230 1.00 0.67 H new ATOM 0 HG3 LYS A 97 10.053 -4.648 8.999 1.00 0.67 H new ATOM 0 HD2 LYS A 97 10.442 -5.146 11.468 1.00 0.82 H new ATOM 0 HD3 LYS A 97 11.085 -3.523 11.623 1.00 0.82 H new ATOM 0 HE2 LYS A 97 8.932 -2.619 10.683 1.00 1.34 H new ATOM 0 HE3 LYS A 97 8.295 -4.251 10.639 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 7.595 -3.090 12.622 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 8.590 -4.401 13.038 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 9.207 -2.820 13.080 1.00 1.74 H new ATOM 1437 N ASP A 98 14.353 -5.498 6.492 1.00 0.35 N ATOM 1438 CA ASP A 98 15.475 -6.265 5.992 1.00 0.43 C ATOM 1439 C ASP A 98 16.668 -5.381 5.623 1.00 0.39 C ATOM 1440 O ASP A 98 17.807 -5.849 5.619 1.00 0.63 O ATOM 1441 CB ASP A 98 15.019 -7.078 4.769 1.00 0.69 C ATOM 1442 CG ASP A 98 14.214 -6.233 3.791 1.00 0.72 C ATOM 1443 OD1 ASP A 98 14.658 -5.139 3.454 1.00 1.35 O ATOM 1444 OD2 ASP A 98 13.113 -6.649 3.361 1.00 1.51 O ATOM 0 H ASP A 98 14.026 -4.776 5.850 1.00 0.35 H new ATOM 0 HA ASP A 98 15.810 -6.931 6.787 1.00 0.43 H new ATOM 0 HB2 ASP A 98 15.891 -7.489 4.261 1.00 0.69 H new ATOM 0 HB3 ASP A 98 14.416 -7.923 5.100 1.00 0.69 H new ATOM 1449 N GLY A 99 16.418 -4.113 5.320 1.00 0.29 N ATOM 1450 CA GLY A 99 17.502 -3.234 4.917 1.00 0.29 C ATOM 1451 C GLY A 99 17.562 -3.067 3.411 1.00 0.24 C ATOM 1452 O GLY A 99 18.581 -2.642 2.859 1.00 0.27 O ATOM 0 H GLY A 99 15.495 -3.680 5.345 1.00 0.29 H new ATOM 0 HA2 GLY A 99 17.372 -2.259 5.386 1.00 0.29 H new ATOM 0 HA3 GLY A 99 18.449 -3.637 5.276 1.00 0.29 H new ATOM 1456 N LEU A 100 16.472 -3.435 2.754 1.00 0.23 N ATOM 1457 CA LEU A 100 16.305 -3.262 1.323 1.00 0.21 C ATOM 1458 C LEU A 100 14.819 -3.106 1.021 1.00 0.24 C ATOM 1459 O LEU A 100 14.017 -3.037 1.943 1.00 0.38 O ATOM 1460 CB LEU A 100 16.929 -4.446 0.562 1.00 0.27 C ATOM 1461 CG LEU A 100 16.544 -5.853 1.044 1.00 0.39 C ATOM 1462 CD1 LEU A 100 15.161 -6.255 0.546 1.00 0.41 C ATOM 1463 CD2 LEU A 100 17.589 -6.864 0.600 1.00 0.54 C ATOM 0 H LEU A 100 15.668 -3.868 3.209 1.00 0.23 H new ATOM 0 HA LEU A 100 16.824 -2.364 0.987 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.654 -4.359 -0.489 1.00 0.27 H new ATOM 0 HB3 LEU A 100 18.014 -4.352 0.616 1.00 0.27 H new ATOM 0 HG LEU A 100 16.508 -5.838 2.133 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.921 -7.256 0.906 1.00 0.41 H new ATOM 0 HD12 LEU A 100 14.420 -5.548 0.919 1.00 0.41 H new ATOM 0 HD13 LEU A 100 15.151 -6.249 -0.544 1.00 0.41 H new ATOM 0 HD21 LEU A 100 17.305 -7.857 0.948 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.655 -6.865 -0.488 1.00 0.54 H new ATOM 0 HD23 LEU A 100 18.558 -6.595 1.022 1.00 0.54 H new ATOM 1475 N LEU A 101 14.448 -3.046 -0.250 1.00 0.20 N ATOM 1476 CA LEU A 101 13.044 -2.895 -0.619 1.00 0.20 C ATOM 1477 C LEU A 101 12.805 -3.565 -1.959 1.00 0.17 C ATOM 1478 O LEU A 101 13.439 -3.212 -2.948 1.00 0.18 O ATOM 1479 CB LEU A 101 12.615 -1.417 -0.715 1.00 0.24 C ATOM 1480 CG LEU A 101 12.515 -0.643 0.610 1.00 0.26 C ATOM 1481 CD1 LEU A 101 12.002 0.762 0.371 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.597 -1.341 1.590 1.00 0.58 C ATOM 0 H LEU A 101 15.092 -3.099 -1.039 1.00 0.20 H new ATOM 0 HA LEU A 101 12.448 -3.363 0.165 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.323 -0.898 -1.361 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.644 -1.375 -1.208 1.00 0.24 H new ATOM 0 HG LEU A 101 13.518 -0.601 1.034 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.939 1.293 1.321 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.684 1.290 -0.295 1.00 0.68 H new ATOM 0 HD13 LEU A 101 11.013 0.716 -0.085 1.00 0.68 H new ATOM 0 HD21 LEU A 101 11.549 -0.767 2.516 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.598 -1.420 1.160 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.981 -2.339 1.801 1.00 0.58 H new ATOM 1494 N ASP A 102 11.919 -4.541 -2.001 1.00 0.16 N ATOM 1495 CA ASP A 102 11.599 -5.199 -3.262 1.00 0.17 C ATOM 1496 C ASP A 102 10.719 -4.283 -4.110 1.00 0.16 C ATOM 1497 O ASP A 102 10.470 -3.145 -3.731 1.00 0.16 O ATOM 1498 CB ASP A 102 10.909 -6.543 -3.023 1.00 0.25 C ATOM 1499 CG ASP A 102 9.436 -6.404 -2.703 1.00 0.77 C ATOM 1500 OD1 ASP A 102 9.099 -6.069 -1.551 1.00 1.50 O ATOM 1501 OD2 ASP A 102 8.615 -6.629 -3.609 1.00 1.40 O ATOM 0 H ASP A 102 11.411 -4.896 -1.190 1.00 0.16 H new ATOM 0 HA ASP A 102 12.527 -5.397 -3.798 1.00 0.17 H new ATOM 0 HB2 ASP A 102 11.025 -7.167 -3.909 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.406 -7.059 -2.202 1.00 0.25 H new ATOM 1506 N ASP A 103 10.268 -4.773 -5.252 1.00 0.18 N ATOM 1507 CA ASP A 103 9.465 -3.968 -6.179 1.00 0.19 C ATOM 1508 C ASP A 103 8.165 -3.486 -5.514 1.00 0.16 C ATOM 1509 O ASP A 103 7.717 -2.360 -5.750 1.00 0.17 O ATOM 1510 CB ASP A 103 9.193 -4.791 -7.450 1.00 0.28 C ATOM 1511 CG ASP A 103 7.726 -4.938 -7.784 1.00 0.97 C ATOM 1512 OD1 ASP A 103 7.171 -4.044 -8.448 1.00 1.65 O ATOM 1513 OD2 ASP A 103 7.125 -5.971 -7.410 1.00 1.73 O ATOM 0 H ASP A 103 10.441 -5.727 -5.567 1.00 0.18 H new ATOM 0 HA ASP A 103 10.018 -3.071 -6.456 1.00 0.19 H new ATOM 0 HB2 ASP A 103 9.701 -4.320 -8.291 1.00 0.28 H new ATOM 0 HB3 ASP A 103 9.629 -5.783 -7.329 1.00 0.28 H new ATOM 1518 N GLU A 104 7.606 -4.304 -4.630 1.00 0.18 N ATOM 1519 CA GLU A 104 6.409 -3.925 -3.882 1.00 0.23 C ATOM 1520 C GLU A 104 6.769 -3.088 -2.662 1.00 0.19 C ATOM 1521 O GLU A 104 6.051 -2.153 -2.316 1.00 0.22 O ATOM 1522 CB GLU A 104 5.632 -5.166 -3.448 1.00 0.33 C ATOM 1523 CG GLU A 104 4.393 -5.423 -4.283 1.00 0.65 C ATOM 1524 CD GLU A 104 4.330 -6.844 -4.804 1.00 1.28 C ATOM 1525 OE1 GLU A 104 4.306 -7.780 -3.988 1.00 1.68 O ATOM 1526 OE2 GLU A 104 4.300 -7.029 -6.037 1.00 2.14 O ATOM 0 H GLU A 104 7.961 -5.235 -4.412 1.00 0.18 H new ATOM 0 HA GLU A 104 5.781 -3.325 -4.541 1.00 0.23 H new ATOM 0 HB2 GLU A 104 6.287 -6.035 -3.507 1.00 0.33 H new ATOM 0 HB3 GLU A 104 5.341 -5.056 -2.403 1.00 0.33 H new ATOM 0 HG2 GLU A 104 3.506 -5.220 -3.683 1.00 0.65 H new ATOM 0 HG3 GLU A 104 4.375 -4.730 -5.124 1.00 0.65 H new ATOM 1533 N GLU A 105 7.878 -3.419 -2.012 1.00 0.18 N ATOM 1534 CA GLU A 105 8.336 -2.652 -0.862 1.00 0.17 C ATOM 1535 C GLU A 105 8.662 -1.211 -1.259 1.00 0.17 C ATOM 1536 O GLU A 105 8.371 -0.276 -0.512 1.00 0.22 O ATOM 1537 CB GLU A 105 9.537 -3.334 -0.214 1.00 0.19 C ATOM 1538 CG GLU A 105 9.212 -3.896 1.163 1.00 0.26 C ATOM 1539 CD GLU A 105 10.274 -4.830 1.737 1.00 0.40 C ATOM 1540 OE1 GLU A 105 11.463 -4.715 1.406 1.00 0.81 O ATOM 1541 OE2 GLU A 105 9.959 -5.685 2.588 1.00 1.11 O ATOM 0 H GLU A 105 8.473 -4.209 -2.260 1.00 0.18 H new ATOM 0 HA GLU A 105 7.531 -2.615 -0.129 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.886 -4.140 -0.859 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.355 -2.619 -0.128 1.00 0.19 H new ATOM 0 HG2 GLU A 105 9.066 -3.066 1.854 1.00 0.26 H new ATOM 0 HG3 GLU A 105 8.266 -4.434 1.107 1.00 0.26 H new ATOM 1548 N PHE A 106 9.247 -1.038 -2.441 1.00 0.16 N ATOM 1549 CA PHE A 106 9.471 0.293 -2.998 1.00 0.16 C ATOM 1550 C PHE A 106 8.128 0.894 -3.365 1.00 0.16 C ATOM 1551 O PHE A 106 7.880 2.075 -3.138 1.00 0.18 O ATOM 1552 CB PHE A 106 10.369 0.210 -4.247 1.00 0.19 C ATOM 1553 CG PHE A 106 10.895 1.538 -4.786 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.247 2.744 -4.556 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.058 1.564 -5.540 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.748 3.928 -5.064 1.00 1.04 C ATOM 1557 CE2 PHE A 106 12.557 2.742 -6.046 1.00 1.07 C ATOM 1558 CZ PHE A 106 11.904 3.923 -5.809 1.00 0.28 C ATOM 0 H PHE A 106 9.574 -1.802 -3.032 1.00 0.16 H new ATOM 0 HA PHE A 106 9.973 0.919 -2.260 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.222 -0.428 -4.014 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.808 -0.284 -5.040 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.339 2.757 -3.972 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.583 0.640 -5.734 1.00 1.04 H new ATOM 0 HE1 PHE A 106 10.231 4.858 -4.876 1.00 1.04 H new ATOM 0 HE2 PHE A 106 13.465 2.736 -6.631 1.00 1.07 H new ATOM 0 HZ PHE A 106 12.296 4.848 -6.206 1.00 0.28 H new ATOM 1568 N ALA A 107 7.256 0.057 -3.916 1.00 0.16 N ATOM 1569 CA ALA A 107 5.936 0.489 -4.336 1.00 0.16 C ATOM 1570 C ALA A 107 5.236 1.284 -3.241 1.00 0.16 C ATOM 1571 O ALA A 107 4.772 2.397 -3.485 1.00 0.18 O ATOM 1572 CB ALA A 107 5.097 -0.705 -4.759 1.00 0.19 C ATOM 0 H ALA A 107 7.446 -0.931 -4.081 1.00 0.16 H new ATOM 0 HA ALA A 107 6.056 1.150 -5.195 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.110 -0.364 -5.071 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.584 -1.216 -5.590 1.00 0.19 H new ATOM 0 HB3 ALA A 107 4.994 -1.393 -3.920 1.00 0.19 H new ATOM 1578 N LEU A 108 5.187 0.755 -2.022 1.00 0.18 N ATOM 1579 CA LEU A 108 4.525 1.495 -0.958 1.00 0.22 C ATOM 1580 C LEU A 108 5.441 2.526 -0.327 1.00 0.19 C ATOM 1581 O LEU A 108 4.974 3.572 0.094 1.00 0.20 O ATOM 1582 CB LEU A 108 3.895 0.618 0.108 1.00 0.34 C ATOM 1583 CG LEU A 108 4.785 -0.348 0.849 1.00 0.52 C ATOM 1584 CD1 LEU A 108 4.360 -0.348 2.298 1.00 1.22 C ATOM 1585 CD2 LEU A 108 4.632 -1.731 0.266 1.00 1.23 C ATOM 0 H LEU A 108 5.581 -0.147 -1.754 1.00 0.18 H new ATOM 0 HA LEU A 108 3.704 2.014 -1.452 1.00 0.22 H new ATOM 0 HB2 LEU A 108 3.427 1.272 0.844 1.00 0.34 H new ATOM 0 HB3 LEU A 108 3.097 0.043 -0.362 1.00 0.34 H new ATOM 0 HG LEU A 108 5.830 -0.051 0.761 1.00 0.52 H new ATOM 0 HD11 LEU A 108 4.987 -1.039 2.861 1.00 1.22 H new ATOM 0 HD12 LEU A 108 4.467 0.656 2.709 1.00 1.22 H new ATOM 0 HD13 LEU A 108 3.318 -0.661 2.372 1.00 1.22 H new ATOM 0 HD21 LEU A 108 5.277 -2.426 0.804 1.00 1.23 H new ATOM 0 HD22 LEU A 108 3.595 -2.052 0.359 1.00 1.23 H new ATOM 0 HD23 LEU A 108 4.914 -1.715 -0.787 1.00 1.23 H new ATOM 1597 N ALA A 109 6.731 2.231 -0.253 1.00 0.19 N ATOM 1598 CA ALA A 109 7.726 3.237 0.158 1.00 0.19 C ATOM 1599 C ALA A 109 7.502 4.569 -0.572 1.00 0.19 C ATOM 1600 O ALA A 109 7.337 5.621 0.050 1.00 0.20 O ATOM 1601 CB ALA A 109 9.135 2.737 -0.114 1.00 0.22 C ATOM 0 H ALA A 109 7.121 1.313 -0.468 1.00 0.19 H new ATOM 0 HA ALA A 109 7.604 3.402 1.228 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.856 3.494 0.196 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.310 1.818 0.446 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.252 2.540 -1.180 1.00 0.22 H new ATOM 1607 N ASN A 110 7.460 4.505 -1.898 1.00 0.19 N ATOM 1608 CA ASN A 110 7.332 5.696 -2.731 1.00 0.19 C ATOM 1609 C ASN A 110 5.903 6.219 -2.706 1.00 0.20 C ATOM 1610 O ASN A 110 5.667 7.425 -2.760 1.00 0.23 O ATOM 1611 CB ASN A 110 7.743 5.388 -4.171 1.00 0.21 C ATOM 1612 CG ASN A 110 7.981 6.643 -4.999 1.00 0.29 C ATOM 1613 OD1 ASN A 110 7.706 6.672 -6.198 1.00 1.18 O ATOM 1614 ND2 ASN A 110 8.516 7.682 -4.374 1.00 1.11 N ATOM 0 H ASN A 110 7.513 3.632 -2.424 1.00 0.19 H new ATOM 0 HA ASN A 110 7.994 6.462 -2.328 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.651 4.786 -4.164 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.966 4.788 -4.645 1.00 0.21 H new ATOM 0 HD21 ASN A 110 8.712 8.541 -4.888 1.00 1.11 H new ATOM 0 HD22 ASN A 110 8.731 7.623 -3.379 1.00 1.11 H new ATOM 1621 N HIS A 111 4.947 5.301 -2.609 1.00 0.23 N ATOM 1622 CA HIS A 111 3.541 5.675 -2.548 1.00 0.25 C ATOM 1623 C HIS A 111 3.259 6.423 -1.255 1.00 0.24 C ATOM 1624 O HIS A 111 2.444 7.337 -1.217 1.00 0.26 O ATOM 1625 CB HIS A 111 2.641 4.439 -2.658 1.00 0.30 C ATOM 1626 CG HIS A 111 1.184 4.744 -2.537 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.452 5.322 -3.546 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.321 4.535 -1.516 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.798 5.462 -3.155 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -0.908 4.992 -1.923 1.00 0.47 N ATOM 0 H HIS A 111 5.120 4.297 -2.571 1.00 0.23 H new ATOM 0 HA HIS A 111 3.320 6.329 -3.392 1.00 0.25 H new ATOM 0 HB2 HIS A 111 2.823 3.952 -3.616 1.00 0.30 H new ATOM 0 HB3 HIS A 111 2.920 3.727 -1.881 1.00 0.30 H new ATOM 0 HD1 HIS A 111 0.819 5.599 -4.456 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.555 4.092 -0.560 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.598 5.889 -3.741 1.00 0.49 H new ATOM 1639 N LEU A 112 3.946 6.024 -0.201 1.00 0.25 N ATOM 1640 CA LEU A 112 3.841 6.690 1.086 1.00 0.28 C ATOM 1641 C LEU A 112 4.527 8.052 1.027 1.00 0.25 C ATOM 1642 O LEU A 112 4.119 8.998 1.702 1.00 0.27 O ATOM 1643 CB LEU A 112 4.457 5.820 2.181 1.00 0.35 C ATOM 1644 CG LEU A 112 3.640 4.578 2.571 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.413 3.729 3.570 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.287 4.990 3.146 1.00 0.54 C ATOM 0 H LEU A 112 4.590 5.233 -0.211 1.00 0.25 H new ATOM 0 HA LEU A 112 2.788 6.844 1.323 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.445 5.496 1.852 1.00 0.35 H new ATOM 0 HB3 LEU A 112 4.602 6.433 3.070 1.00 0.35 H new ATOM 0 HG LEU A 112 3.464 3.981 1.676 1.00 0.44 H new ATOM 0 HD11 LEU A 112 3.822 2.853 3.837 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.355 3.409 3.124 1.00 0.55 H new ATOM 0 HD13 LEU A 112 4.617 4.316 4.466 1.00 0.55 H new ATOM 0 HD21 LEU A 112 1.720 4.099 3.417 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.441 5.606 4.032 1.00 0.54 H new ATOM 0 HD23 LEU A 112 1.733 5.559 2.400 1.00 0.54 H new ATOM 1658 N ILE A 113 5.575 8.137 0.208 1.00 0.26 N ATOM 1659 CA ILE A 113 6.226 9.408 -0.094 1.00 0.26 C ATOM 1660 C ILE A 113 5.248 10.371 -0.765 1.00 0.26 C ATOM 1661 O ILE A 113 5.219 11.564 -0.456 1.00 0.32 O ATOM 1662 CB ILE A 113 7.454 9.198 -1.003 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.591 8.576 -0.199 1.00 0.28 C ATOM 1664 CG2 ILE A 113 7.914 10.508 -1.622 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.781 8.154 -1.036 1.00 0.81 C ATOM 0 H ILE A 113 5.993 7.333 -0.261 1.00 0.26 H new ATOM 0 HA ILE A 113 6.559 9.840 0.850 1.00 0.26 H new ATOM 0 HB ILE A 113 7.167 8.526 -1.811 1.00 0.27 H new ATOM 0 HG12 ILE A 113 8.924 9.292 0.552 1.00 0.28 H new ATOM 0 HG13 ILE A 113 8.210 7.706 0.336 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.781 10.326 -2.257 1.00 0.33 H new ATOM 0 HG22 ILE A 113 7.107 10.930 -2.222 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.184 11.209 -0.832 1.00 0.33 H new ATOM 0 HD11 ILE A 113 10.545 7.722 -0.390 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.465 7.413 -1.770 1.00 0.81 H new ATOM 0 HD13 ILE A 113 10.190 9.023 -1.551 1.00 0.81 H new ATOM 1677 N LYS A 114 4.460 9.853 -1.698 1.00 0.25 N ATOM 1678 CA LYS A 114 3.422 10.662 -2.340 1.00 0.31 C ATOM 1679 C LYS A 114 2.312 11.001 -1.335 1.00 0.32 C ATOM 1680 O LYS A 114 1.767 12.100 -1.356 1.00 0.41 O ATOM 1681 CB LYS A 114 2.874 9.949 -3.598 1.00 0.45 C ATOM 1682 CG LYS A 114 1.505 9.287 -3.445 1.00 0.86 C ATOM 1683 CD LYS A 114 0.370 10.228 -3.837 1.00 1.30 C ATOM 1684 CE LYS A 114 -0.978 9.523 -3.798 1.00 1.59 C ATOM 1685 NZ LYS A 114 -2.089 10.390 -4.280 1.00 2.22 N ATOM 0 H LYS A 114 4.515 8.889 -2.027 1.00 0.25 H new ATOM 0 HA LYS A 114 3.860 11.603 -2.672 1.00 0.31 H new ATOM 0 HB2 LYS A 114 2.816 10.676 -4.408 1.00 0.45 H new ATOM 0 HB3 LYS A 114 3.592 9.188 -3.903 1.00 0.45 H new ATOM 0 HG2 LYS A 114 1.464 8.391 -4.065 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.370 8.967 -2.412 1.00 0.86 H new ATOM 0 HD2 LYS A 114 0.354 11.083 -3.161 1.00 1.30 H new ATOM 0 HD3 LYS A 114 0.549 10.618 -4.839 1.00 1.30 H new ATOM 0 HE2 LYS A 114 -0.932 8.623 -4.411 1.00 1.59 H new ATOM 0 HE3 LYS A 114 -1.188 9.203 -2.777 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 -2.985 9.864 -4.234 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 -2.153 11.237 -3.680 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 -1.905 10.675 -5.263 1.00 2.22 H new ATOM 1699 N VAL A 115 2.024 10.062 -0.437 1.00 0.30 N ATOM 1700 CA VAL A 115 1.020 10.250 0.611 1.00 0.35 C ATOM 1701 C VAL A 115 1.367 11.439 1.516 1.00 0.35 C ATOM 1702 O VAL A 115 0.526 12.309 1.758 1.00 0.42 O ATOM 1703 CB VAL A 115 0.863 8.952 1.446 1.00 0.41 C ATOM 1704 CG1 VAL A 115 0.226 9.226 2.799 1.00 0.49 C ATOM 1705 CG2 VAL A 115 0.033 7.932 0.682 1.00 0.47 C ATOM 0 H VAL A 115 2.479 9.149 -0.414 1.00 0.30 H new ATOM 0 HA VAL A 115 0.069 10.473 0.128 1.00 0.35 H new ATOM 0 HB VAL A 115 1.862 8.552 1.620 1.00 0.41 H new ATOM 0 HG11 VAL A 115 0.133 8.292 3.353 1.00 0.49 H new ATOM 0 HG12 VAL A 115 0.850 9.921 3.361 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -0.763 9.662 2.654 1.00 0.49 H new ATOM 0 HG21 VAL A 115 -0.070 7.026 1.279 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.955 8.346 0.478 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.527 7.692 -0.259 1.00 0.47 H new ATOM 1715 N LYS A 116 2.605 11.492 1.994 1.00 0.35 N ATOM 1716 CA LYS A 116 3.041 12.612 2.825 1.00 0.45 C ATOM 1717 C LYS A 116 3.104 13.896 1.995 1.00 0.48 C ATOM 1718 O LYS A 116 2.921 15.000 2.516 1.00 0.63 O ATOM 1719 CB LYS A 116 4.409 12.332 3.431 1.00 0.59 C ATOM 1720 CG LYS A 116 5.453 12.115 2.374 1.00 0.77 C ATOM 1721 CD LYS A 116 6.856 12.179 2.915 1.00 0.79 C ATOM 1722 CE LYS A 116 7.850 12.040 1.784 1.00 1.68 C ATOM 1723 NZ LYS A 116 7.742 13.156 0.801 1.00 1.91 N ATOM 0 H LYS A 116 3.318 10.783 1.824 1.00 0.35 H new ATOM 0 HA LYS A 116 2.317 12.738 3.630 1.00 0.45 H new ATOM 0 HB2 LYS A 116 4.703 13.167 4.066 1.00 0.59 H new ATOM 0 HB3 LYS A 116 4.350 11.451 4.070 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.293 11.143 1.907 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.335 12.867 1.594 1.00 0.77 H new ATOM 0 HD2 LYS A 116 7.012 13.125 3.434 1.00 0.79 H new ATOM 0 HD3 LYS A 116 7.010 11.385 3.646 1.00 0.79 H new ATOM 0 HE2 LYS A 116 8.861 12.013 2.192 1.00 1.68 H new ATOM 0 HE3 LYS A 116 7.687 11.091 1.273 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 8.669 13.320 0.359 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 7.048 12.907 0.068 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 7.434 14.021 1.290 1.00 1.91 H new ATOM 1737 N LEU A 117 3.360 13.737 0.699 1.00 0.43 N ATOM 1738 CA LEU A 117 3.493 14.865 -0.212 1.00 0.53 C ATOM 1739 C LEU A 117 2.141 15.537 -0.446 1.00 0.60 C ATOM 1740 O LEU A 117 2.070 16.703 -0.850 1.00 0.73 O ATOM 1741 CB LEU A 117 4.079 14.384 -1.540 1.00 0.54 C ATOM 1742 CG LEU A 117 4.335 15.470 -2.587 1.00 0.68 C ATOM 1743 CD1 LEU A 117 5.431 16.418 -2.121 1.00 1.28 C ATOM 1744 CD2 LEU A 117 4.694 14.835 -3.924 1.00 1.17 C ATOM 0 H LEU A 117 3.480 12.827 0.255 1.00 0.43 H new ATOM 0 HA LEU A 117 4.163 15.599 0.235 1.00 0.53 H new ATOM 0 HB2 LEU A 117 5.020 13.873 -1.336 1.00 0.54 H new ATOM 0 HB3 LEU A 117 3.401 13.645 -1.968 1.00 0.54 H new ATOM 0 HG LEU A 117 3.423 16.053 -2.717 1.00 0.68 H new ATOM 0 HD11 LEU A 117 5.598 17.183 -2.880 1.00 1.28 H new ATOM 0 HD12 LEU A 117 5.129 16.893 -1.188 1.00 1.28 H new ATOM 0 HD13 LEU A 117 6.353 15.858 -1.961 1.00 1.28 H new ATOM 0 HD21 LEU A 117 4.874 15.617 -4.662 1.00 1.17 H new ATOM 0 HD22 LEU A 117 5.593 14.230 -3.810 1.00 1.17 H new ATOM 0 HD23 LEU A 117 3.872 14.203 -4.259 1.00 1.17 H new ATOM 1756 N GLU A 118 1.067 14.794 -0.176 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.288 15.322 -0.317 1.00 0.70 C ATOM 1758 C GLU A 118 -0.596 16.341 0.778 1.00 0.79 C ATOM 1759 O GLU A 118 -1.610 17.036 0.725 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.313 14.185 -0.296 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.059 13.146 -1.374 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.135 12.085 -1.455 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -2.150 11.194 -0.578 1.00 1.99 O ATOM 1764 OE2 GLU A 118 -2.986 12.151 -2.365 1.00 1.78 O ATOM 0 H GLU A 118 1.110 13.826 0.141 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.353 15.830 -1.279 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.293 13.701 0.681 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.312 14.600 -0.426 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -0.980 13.647 -2.339 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.099 12.665 -1.185 1.00 0.78 H new ATOM 1771 N GLY A 119 0.287 16.436 1.768 1.00 0.75 N ATOM 1772 CA GLY A 119 0.120 17.437 2.798 1.00 0.86 C ATOM 1773 C GLY A 119 -0.172 16.842 4.156 1.00 0.87 C ATOM 1774 O GLY A 119 -0.353 17.571 5.129 1.00 1.01 O ATOM 0 H GLY A 119 1.109 15.841 1.872 1.00 0.75 H new ATOM 0 HA2 GLY A 119 1.025 18.042 2.859 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -0.693 18.107 2.518 1.00 0.86 H new ATOM 1778 N HIS A 120 -0.212 15.519 4.236 1.00 0.80 N ATOM 1779 CA HIS A 120 -0.444 14.860 5.510 1.00 0.84 C ATOM 1780 C HIS A 120 0.619 13.791 5.742 1.00 0.81 C ATOM 1781 O HIS A 120 0.942 13.026 4.836 1.00 0.84 O ATOM 1782 CB HIS A 120 -1.864 14.265 5.563 1.00 0.86 C ATOM 1783 CG HIS A 120 -1.986 12.841 5.084 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -2.069 11.781 5.954 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.046 12.305 3.837 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.173 10.660 5.277 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.167 10.945 3.986 1.00 0.87 N ATOM 0 H HIS A 120 -0.088 14.889 3.443 1.00 0.80 H new ATOM 0 HA HIS A 120 -0.368 15.595 6.311 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -2.223 14.317 6.591 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -2.524 14.890 4.962 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -2.052 11.853 6.971 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -2.006 12.847 2.904 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.250 9.671 5.704 1.00 0.83 H new ATOM 1796 N GLU A 121 1.178 13.763 6.940 1.00 0.93 N ATOM 1797 CA GLU A 121 2.216 12.797 7.268 1.00 1.01 C ATOM 1798 C GLU A 121 1.639 11.393 7.410 1.00 0.79 C ATOM 1799 O GLU A 121 0.424 11.208 7.514 1.00 0.71 O ATOM 1800 CB GLU A 121 2.947 13.193 8.552 1.00 1.31 C ATOM 1801 CG GLU A 121 2.041 13.293 9.768 1.00 1.55 C ATOM 1802 CD GLU A 121 2.799 13.091 11.064 1.00 2.15 C ATOM 1803 OE1 GLU A 121 3.688 13.912 11.365 1.00 2.52 O ATOM 1804 OE2 GLU A 121 2.478 12.145 11.810 1.00 2.75 O ATOM 0 H GLU A 121 0.932 14.396 7.701 1.00 0.93 H new ATOM 0 HA GLU A 121 2.930 12.795 6.445 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.730 12.462 8.753 1.00 1.31 H new ATOM 0 HB3 GLU A 121 3.439 14.153 8.397 1.00 1.31 H new ATOM 0 HG2 GLU A 121 1.558 14.270 9.780 1.00 1.55 H new ATOM 0 HG3 GLU A 121 1.250 12.547 9.692 1.00 1.55 H new ATOM 1811 N LEU A 122 2.519 10.404 7.392 1.00 0.92 N ATOM 1812 CA LEU A 122 2.111 9.018 7.534 1.00 0.87 C ATOM 1813 C LEU A 122 1.605 8.754 8.946 1.00 0.82 C ATOM 1814 O LEU A 122 2.172 9.251 9.922 1.00 0.95 O ATOM 1815 CB LEU A 122 3.255 8.054 7.220 1.00 1.18 C ATOM 1816 CG LEU A 122 3.802 8.103 5.792 1.00 1.80 C ATOM 1817 CD1 LEU A 122 4.670 9.336 5.570 1.00 2.45 C ATOM 1818 CD2 LEU A 122 4.582 6.836 5.504 1.00 2.70 C ATOM 0 H LEU A 122 3.524 10.538 7.280 1.00 0.92 H new ATOM 0 HA LEU A 122 1.309 8.845 6.816 1.00 0.87 H new ATOM 0 HB2 LEU A 122 4.075 8.258 7.909 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.914 7.039 7.422 1.00 1.18 H new ATOM 0 HG LEU A 122 2.962 8.171 5.101 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.042 9.339 4.545 1.00 2.45 H new ATOM 0 HD12 LEU A 122 4.077 10.234 5.744 1.00 2.45 H new ATOM 0 HD13 LEU A 122 5.512 9.317 6.262 1.00 2.45 H new ATOM 0 HD21 LEU A 122 4.971 6.872 4.487 1.00 2.70 H new ATOM 0 HD22 LEU A 122 5.411 6.751 6.207 1.00 2.70 H new ATOM 0 HD23 LEU A 122 3.926 5.972 5.611 1.00 2.70 H new ATOM 1830 N PRO A 123 0.554 7.940 9.058 1.00 0.77 N ATOM 1831 CA PRO A 123 -0.126 7.674 10.319 1.00 0.88 C ATOM 1832 C PRO A 123 0.441 6.462 11.046 1.00 0.92 C ATOM 1833 O PRO A 123 0.059 6.176 12.181 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.548 7.395 9.849 1.00 1.00 C ATOM 1835 CG PRO A 123 -1.376 6.724 8.521 1.00 0.95 C ATOM 1836 CD PRO A 123 -0.066 7.203 7.948 1.00 0.79 C ATOM 0 HA PRO A 123 -0.029 8.491 11.034 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -2.080 6.754 10.552 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -2.124 8.316 9.757 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -1.373 5.640 8.635 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -2.202 6.972 7.854 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.557 6.370 7.624 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.220 7.843 7.079 1.00 0.79 H new ATOM 1844 N ALA A 124 1.344 5.758 10.374 1.00 0.89 N ATOM 1845 CA ALA A 124 1.955 4.547 10.909 1.00 1.09 C ATOM 1846 C ALA A 124 0.916 3.474 11.169 1.00 1.10 C ATOM 1847 O ALA A 124 1.007 2.723 12.141 1.00 1.27 O ATOM 1848 CB ALA A 124 2.773 4.846 12.162 1.00 1.34 C ATOM 0 H ALA A 124 1.674 6.011 9.442 1.00 0.89 H new ATOM 0 HA ALA A 124 2.641 4.162 10.154 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.215 3.923 12.537 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.564 5.555 11.919 1.00 1.34 H new ATOM 0 HB3 ALA A 124 2.124 5.274 12.926 1.00 1.34 H new ATOM 1854 N ASP A 125 -0.064 3.393 10.288 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.984 2.283 10.312 1.00 1.03 C ATOM 1856 C ASP A 125 -0.772 1.416 9.088 1.00 0.87 C ATOM 1857 O ASP A 125 -0.586 1.914 7.978 1.00 0.90 O ATOM 1858 CB ASP A 125 -2.443 2.728 10.410 1.00 1.22 C ATOM 1859 CG ASP A 125 -3.085 3.136 9.086 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -2.799 4.251 8.595 1.00 2.14 O ATOM 1861 OD2 ASP A 125 -3.842 2.336 8.513 1.00 2.36 O ATOM 0 H ASP A 125 -0.239 4.079 9.554 1.00 1.00 H new ATOM 0 HA ASP A 125 -0.775 1.705 11.212 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -3.026 1.916 10.844 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -2.505 3.569 11.101 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.752 0.121 9.316 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.588 -0.847 8.249 1.00 0.73 C ATOM 1868 C LEU A 126 -1.848 -1.701 8.123 1.00 0.76 C ATOM 1869 O LEU A 126 -2.007 -2.715 8.811 1.00 0.86 O ATOM 1870 CB LEU A 126 0.628 -1.726 8.514 1.00 0.75 C ATOM 1871 CG LEU A 126 1.060 -2.571 7.323 1.00 0.94 C ATOM 1872 CD1 LEU A 126 1.409 -1.665 6.152 1.00 1.67 C ATOM 1873 CD2 LEU A 126 2.235 -3.455 7.698 1.00 1.83 C ATOM 0 H LEU A 126 -0.849 -0.292 10.244 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.429 -0.316 7.311 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.461 -1.092 8.817 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.409 -2.386 9.353 1.00 0.75 H new ATOM 0 HG LEU A 126 0.236 -3.221 7.026 1.00 0.94 H new ATOM 0 HD11 LEU A 126 1.718 -2.273 5.301 1.00 1.67 H new ATOM 0 HD12 LEU A 126 0.536 -1.073 5.877 1.00 1.67 H new ATOM 0 HD13 LEU A 126 2.224 -0.999 6.437 1.00 1.67 H new ATOM 0 HD21 LEU A 126 2.531 -4.052 6.835 1.00 1.83 H new ATOM 0 HD22 LEU A 126 3.073 -2.833 8.013 1.00 1.83 H new ATOM 0 HD23 LEU A 126 1.947 -4.116 8.515 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.779 -1.266 7.272 1.00 0.77 N ATOM 1886 CA PRO A 127 -4.074 -1.900 7.105 1.00 0.89 C ATOM 1887 C PRO A 127 -4.131 -2.845 5.906 1.00 0.85 C ATOM 1888 O PRO A 127 -3.211 -2.880 5.088 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.964 -0.687 6.874 1.00 1.00 C ATOM 1890 CG PRO A 127 -4.093 0.304 6.162 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.658 -0.086 6.416 1.00 0.78 C ATOM 0 HA PRO A 127 -4.351 -2.532 7.949 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -5.837 -0.947 6.275 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.333 -0.283 7.817 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -4.307 0.303 5.093 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -4.286 1.314 6.525 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -2.132 -0.313 5.489 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -2.104 0.714 6.908 1.00 0.78 H new ATOM 1899 N PRO A 128 -5.230 -3.614 5.778 1.00 0.99 N ATOM 1900 CA PRO A 128 -5.436 -4.529 4.651 1.00 1.06 C ATOM 1901 C PRO A 128 -5.328 -3.836 3.291 1.00 1.01 C ATOM 1902 O PRO A 128 -4.915 -4.445 2.301 1.00 1.15 O ATOM 1903 CB PRO A 128 -6.857 -5.071 4.861 1.00 1.27 C ATOM 1904 CG PRO A 128 -7.474 -4.206 5.910 1.00 1.34 C ATOM 1905 CD PRO A 128 -6.342 -3.686 6.742 1.00 1.15 C ATOM 0 HA PRO A 128 -4.670 -5.305 4.633 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -7.431 -5.032 3.935 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -6.834 -6.114 5.178 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -8.034 -3.387 5.459 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -8.176 -4.774 6.520 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -6.570 -2.709 7.169 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -6.113 -4.352 7.574 1.00 1.15 H new ATOM 1913 N HIS A 129 -5.670 -2.554 3.246 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.635 -1.809 1.991 1.00 0.96 C ATOM 1915 C HIS A 129 -4.239 -1.254 1.692 1.00 0.94 C ATOM 1916 O HIS A 129 -4.117 -0.289 0.949 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.689 -0.677 1.956 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.669 0.281 3.116 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -7.511 0.162 4.199 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -5.941 1.401 3.336 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.304 1.163 5.033 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -6.354 1.931 4.535 1.00 1.48 N ATOM 0 H HIS A 129 -5.972 -2.012 4.055 1.00 0.95 H new ATOM 0 HA HIS A 129 -5.887 -2.523 1.206 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -6.550 -0.107 1.038 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.679 -1.131 1.903 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -5.176 1.804 2.688 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -7.824 1.326 5.965 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -5.987 2.778 4.968 1.00 1.48 H new ATOM 1931 N LEU A 130 -3.199 -1.851 2.284 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.802 -1.560 1.916 1.00 0.69 C ATOM 1933 C LEU A 130 -0.914 -2.778 2.130 1.00 0.69 C ATOM 1934 O LEU A 130 0.304 -2.646 2.205 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.209 -0.412 2.738 1.00 0.75 C ATOM 1936 CG LEU A 130 -1.193 0.979 2.093 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -2.459 1.757 2.402 1.00 1.27 C ATOM 1938 CD2 LEU A 130 0.031 1.753 2.555 1.00 1.29 C ATOM 0 H LEU A 130 -3.296 -2.544 3.026 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.828 -1.279 0.863 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -1.765 -0.344 3.673 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.183 -0.676 2.996 1.00 0.75 H new ATOM 0 HG LEU A 130 -1.147 0.846 1.012 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -2.409 2.737 1.927 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -3.323 1.213 2.020 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -2.556 1.881 3.481 1.00 1.27 H new ATOM 0 HD21 LEU A 130 0.034 2.740 2.092 1.00 1.29 H new ATOM 0 HD22 LEU A 130 0.005 1.861 3.639 1.00 1.29 H new ATOM 0 HD23 LEU A 130 0.933 1.214 2.266 1.00 1.29 H new ATOM 1950 N VAL A 131 -1.507 -3.962 2.228 1.00 0.76 N ATOM 1951 CA VAL A 131 -0.724 -5.164 2.503 1.00 0.84 C ATOM 1952 C VAL A 131 0.140 -5.541 1.300 1.00 0.76 C ATOM 1953 O VAL A 131 -0.385 -5.915 0.248 1.00 0.76 O ATOM 1954 CB VAL A 131 -1.614 -6.364 2.897 1.00 1.05 C ATOM 1955 CG1 VAL A 131 -0.770 -7.617 3.081 1.00 1.72 C ATOM 1956 CG2 VAL A 131 -2.383 -6.057 4.170 1.00 1.59 C ATOM 0 H VAL A 131 -2.510 -4.117 2.124 1.00 0.76 H new ATOM 0 HA VAL A 131 -0.081 -4.928 3.351 1.00 0.84 H new ATOM 0 HB VAL A 131 -2.327 -6.542 2.092 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -1.414 -8.452 3.358 1.00 1.72 H new ATOM 0 HG12 VAL A 131 -0.256 -7.849 2.148 1.00 1.72 H new ATOM 0 HG13 VAL A 131 -0.035 -7.448 3.868 1.00 1.72 H new ATOM 0 HG21 VAL A 131 -3.005 -6.912 4.434 1.00 1.59 H new ATOM 0 HG22 VAL A 131 -1.681 -5.855 4.979 1.00 1.59 H new ATOM 0 HG23 VAL A 131 -3.015 -5.183 4.011 1.00 1.59 H new ATOM 1966 N PRO A 132 1.474 -5.432 1.433 1.00 0.78 N ATOM 1967 CA PRO A 132 2.405 -5.782 0.360 1.00 0.79 C ATOM 1968 C PRO A 132 2.382 -7.274 0.054 1.00 0.83 C ATOM 1969 O PRO A 132 2.615 -8.107 0.938 1.00 0.85 O ATOM 1970 CB PRO A 132 3.781 -5.373 0.900 1.00 0.90 C ATOM 1971 CG PRO A 132 3.499 -4.496 2.074 1.00 1.04 C ATOM 1972 CD PRO A 132 2.178 -4.942 2.625 1.00 0.88 C ATOM 0 HA PRO A 132 2.146 -5.282 -0.573 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.364 -6.246 1.193 1.00 0.90 H new ATOM 0 HB3 PRO A 132 4.359 -4.843 0.143 1.00 0.90 H new ATOM 0 HG2 PRO A 132 4.284 -4.587 2.825 1.00 1.04 H new ATOM 0 HG3 PRO A 132 3.462 -3.448 1.777 1.00 1.04 H new ATOM 0 HD2 PRO A 132 2.296 -5.725 3.375 1.00 0.88 H new ATOM 0 HD3 PRO A 132 1.642 -4.122 3.102 1.00 0.88 H new ATOM 1980 N PRO A 133 2.101 -7.635 -1.206 1.00 0.93 N ATOM 1981 CA PRO A 133 2.066 -9.028 -1.651 1.00 1.05 C ATOM 1982 C PRO A 133 3.452 -9.676 -1.649 1.00 1.15 C ATOM 1983 O PRO A 133 3.606 -10.834 -2.033 1.00 1.44 O ATOM 1984 CB PRO A 133 1.509 -8.951 -3.079 1.00 1.25 C ATOM 1985 CG PRO A 133 0.963 -7.568 -3.220 1.00 1.36 C ATOM 1986 CD PRO A 133 1.773 -6.708 -2.297 1.00 1.07 C ATOM 0 HA PRO A 133 1.462 -9.645 -0.985 1.00 1.05 H new ATOM 0 HB2 PRO A 133 2.290 -9.142 -3.816 1.00 1.25 H new ATOM 0 HB3 PRO A 133 0.731 -9.698 -3.238 1.00 1.25 H new ATOM 0 HG2 PRO A 133 1.044 -7.220 -4.250 1.00 1.36 H new ATOM 0 HG3 PRO A 133 -0.094 -7.537 -2.955 1.00 1.36 H new ATOM 0 HD2 PRO A 133 2.668 -6.321 -2.784 1.00 1.07 H new ATOM 0 HD3 PRO A 133 1.206 -5.847 -1.942 1.00 1.07 H new ATOM 1994 N SER A 134 4.455 -8.934 -1.208 1.00 1.15 N ATOM 1995 CA SER A 134 5.806 -9.457 -1.113 1.00 1.40 C ATOM 1996 C SER A 134 6.124 -9.923 0.308 1.00 1.40 C ATOM 1997 O SER A 134 6.895 -10.864 0.502 1.00 1.65 O ATOM 1998 CB SER A 134 6.804 -8.387 -1.549 1.00 1.64 C ATOM 1999 OG SER A 134 6.647 -7.200 -0.792 1.00 2.30 O ATOM 0 H SER A 134 4.357 -7.964 -0.909 1.00 1.15 H new ATOM 0 HA SER A 134 5.885 -10.321 -1.773 1.00 1.40 H new ATOM 0 HB2 SER A 134 7.820 -8.764 -1.432 1.00 1.64 H new ATOM 0 HB3 SER A 134 6.666 -8.167 -2.608 1.00 1.64 H new ATOM 0 HG SER A 134 7.433 -6.627 -0.915 1.00 2.30 H new ATOM 2005 N LYS A 135 5.514 -9.284 1.308 1.00 1.23 N ATOM 2006 CA LYS A 135 5.823 -9.609 2.699 1.00 1.34 C ATOM 2007 C LYS A 135 4.902 -10.691 3.245 1.00 1.50 C ATOM 2008 O LYS A 135 4.984 -11.043 4.421 1.00 1.73 O ATOM 2009 CB LYS A 135 5.805 -8.359 3.606 1.00 1.23 C ATOM 2010 CG LYS A 135 4.539 -7.504 3.536 1.00 1.33 C ATOM 2011 CD LYS A 135 3.302 -8.167 4.147 1.00 2.26 C ATOM 2012 CE LYS A 135 3.299 -8.136 5.677 1.00 2.88 C ATOM 2013 NZ LYS A 135 4.115 -9.227 6.276 1.00 3.42 N ATOM 0 H LYS A 135 4.815 -8.551 1.184 1.00 1.23 H new ATOM 0 HA LYS A 135 6.839 -10.003 2.706 1.00 1.34 H new ATOM 0 HB2 LYS A 135 5.947 -8.680 4.638 1.00 1.23 H new ATOM 0 HB3 LYS A 135 6.659 -7.733 3.346 1.00 1.23 H new ATOM 0 HG2 LYS A 135 4.722 -6.560 4.049 1.00 1.33 H new ATOM 0 HG3 LYS A 135 4.332 -7.265 2.493 1.00 1.33 H new ATOM 0 HD2 LYS A 135 2.408 -7.665 3.778 1.00 2.26 H new ATOM 0 HD3 LYS A 135 3.248 -9.202 3.810 1.00 2.26 H new ATOM 0 HE2 LYS A 135 3.681 -7.174 6.017 1.00 2.88 H new ATOM 0 HE3 LYS A 135 2.273 -8.217 6.036 1.00 2.88 H new ATOM 0 HZ1 LYS A 135 3.581 -9.677 7.046 1.00 3.42 H new ATOM 0 HZ2 LYS A 135 4.335 -9.936 5.547 1.00 3.42 H new ATOM 0 HZ3 LYS A 135 5.000 -8.832 6.653 1.00 3.42 H new ATOM 2027 N ARG A 136 4.014 -11.204 2.404 1.00 1.53 N ATOM 2028 CA ARG A 136 3.201 -12.351 2.779 1.00 1.89 C ATOM 2029 C ARG A 136 4.077 -13.594 2.825 1.00 2.31 C ATOM 2030 O ARG A 136 4.169 -14.344 1.857 1.00 2.51 O ATOM 2031 CB ARG A 136 2.025 -12.555 1.817 1.00 1.88 C ATOM 2032 CG ARG A 136 2.297 -12.069 0.403 1.00 1.88 C ATOM 2033 CD ARG A 136 1.682 -12.983 -0.649 1.00 2.64 C ATOM 2034 NE ARG A 136 2.344 -14.284 -0.680 1.00 3.30 N ATOM 2035 CZ ARG A 136 3.596 -14.476 -1.107 1.00 3.86 C ATOM 2036 NH1 ARG A 136 4.308 -13.456 -1.591 1.00 3.83 N ATOM 2037 NH2 ARG A 136 4.138 -15.681 -1.046 1.00 4.72 N ATOM 0 H ARG A 136 3.840 -10.847 1.465 1.00 1.53 H new ATOM 0 HA ARG A 136 2.777 -12.164 3.766 1.00 1.89 H new ATOM 0 HB2 ARG A 136 1.774 -13.615 1.785 1.00 1.88 H new ATOM 0 HB3 ARG A 136 1.152 -12.033 2.209 1.00 1.88 H new ATOM 0 HG2 ARG A 136 1.898 -11.062 0.284 1.00 1.88 H new ATOM 0 HG3 ARG A 136 3.373 -12.007 0.243 1.00 1.88 H new ATOM 0 HD2 ARG A 136 0.621 -13.118 -0.440 1.00 2.64 H new ATOM 0 HD3 ARG A 136 1.756 -12.512 -1.629 1.00 2.64 H new ATOM 0 HE ARG A 136 1.819 -15.096 -0.356 1.00 3.30 H new ATOM 0 HH11 ARG A 136 3.897 -12.523 -1.637 1.00 3.83 H new ATOM 0 HH12 ARG A 136 5.263 -13.609 -1.915 1.00 3.83 H new ATOM 0 HH21 ARG A 136 3.601 -16.464 -0.673 1.00 4.72 H new ATOM 0 HH22 ARG A 136 5.093 -15.828 -1.372 1.00 4.72 H new ATOM 2051 N ARG A 137 4.765 -13.768 3.939 1.00 2.57 N ATOM 2052 CA ARG A 137 5.698 -14.869 4.098 1.00 3.09 C ATOM 2053 C ARG A 137 5.721 -15.333 5.548 1.00 3.55 C ATOM 2054 O ARG A 137 5.791 -14.523 6.474 1.00 3.60 O ATOM 2055 CB ARG A 137 7.100 -14.437 3.648 1.00 3.10 C ATOM 2056 CG ARG A 137 7.686 -13.291 4.465 1.00 3.11 C ATOM 2057 CD ARG A 137 8.960 -12.748 3.838 1.00 3.08 C ATOM 2058 NE ARG A 137 9.974 -13.782 3.652 1.00 3.71 N ATOM 2059 CZ ARG A 137 11.280 -13.590 3.816 1.00 4.19 C ATOM 2060 NH1 ARG A 137 11.746 -12.414 4.230 1.00 4.19 N ATOM 2061 NH2 ARG A 137 12.121 -14.586 3.581 1.00 5.01 N ATOM 0 H ARG A 137 4.694 -13.156 4.752 1.00 2.57 H new ATOM 0 HA ARG A 137 5.374 -15.702 3.475 1.00 3.09 H new ATOM 0 HB2 ARG A 137 7.771 -15.294 3.710 1.00 3.10 H new ATOM 0 HB3 ARG A 137 7.059 -14.139 2.600 1.00 3.10 H new ATOM 0 HG2 ARG A 137 6.951 -12.490 4.548 1.00 3.11 H new ATOM 0 HG3 ARG A 137 7.897 -13.636 5.477 1.00 3.11 H new ATOM 0 HD2 ARG A 137 8.724 -12.297 2.874 1.00 3.08 H new ATOM 0 HD3 ARG A 137 9.364 -11.957 4.470 1.00 3.08 H new ATOM 0 HE ARG A 137 9.660 -14.713 3.378 1.00 3.71 H new ATOM 0 HH11 ARG A 137 11.100 -11.649 4.425 1.00 4.19 H new ATOM 0 HH12 ARG A 137 12.749 -12.278 4.352 1.00 4.19 H new ATOM 0 HH21 ARG A 137 11.766 -15.492 3.277 1.00 5.01 H new ATOM 0 HH22 ARG A 137 13.124 -14.447 3.704 1.00 5.01 H new ATOM 2075 N HIS A 138 5.627 -16.635 5.742 1.00 4.04 N ATOM 2076 CA HIS A 138 5.673 -17.213 7.072 1.00 4.60 C ATOM 2077 C HIS A 138 6.618 -18.412 7.072 1.00 5.04 C ATOM 2078 O HIS A 138 6.251 -19.499 6.624 1.00 5.32 O ATOM 2079 CB HIS A 138 4.265 -17.627 7.516 1.00 4.93 C ATOM 2080 CG HIS A 138 4.169 -18.022 8.959 1.00 5.37 C ATOM 2081 ND1 HIS A 138 4.103 -19.332 9.371 1.00 5.87 N ATOM 2082 CD2 HIS A 138 4.095 -17.270 10.085 1.00 5.74 C ATOM 2083 CE1 HIS A 138 4.003 -19.373 10.686 1.00 6.39 C ATOM 2084 NE2 HIS A 138 3.996 -18.137 11.142 1.00 6.31 N ATOM 0 H HIS A 138 5.518 -17.316 4.991 1.00 4.04 H new ATOM 0 HA HIS A 138 6.046 -16.472 7.779 1.00 4.60 H new ATOM 0 HB2 HIS A 138 3.579 -16.800 7.331 1.00 4.93 H new ATOM 0 HB3 HIS A 138 3.932 -18.462 6.899 1.00 4.93 H new ATOM 0 HD2 HIS A 138 4.111 -16.191 10.139 1.00 5.74 H new ATOM 0 HE1 HIS A 138 3.938 -20.268 11.287 1.00 6.39 H new ATOM 0 HE2 HIS A 138 3.928 -17.868 12.124 1.00 6.31 H new ATOM 2093 N GLU A 139 7.829 -18.210 7.563 1.00 5.24 N ATOM 2094 CA GLU A 139 8.844 -19.253 7.544 1.00 5.77 C ATOM 2095 C GLU A 139 8.676 -20.172 8.749 1.00 6.32 C ATOM 2096 O GLU A 139 8.429 -19.649 9.854 1.00 6.61 O ATOM 2097 CB GLU A 139 10.251 -18.640 7.533 1.00 5.85 C ATOM 2098 CG GLU A 139 10.461 -17.569 6.470 1.00 6.19 C ATOM 2099 CD GLU A 139 10.121 -18.044 5.071 1.00 6.57 C ATOM 2100 OE1 GLU A 139 10.972 -18.699 4.436 1.00 6.91 O ATOM 2101 OE2 GLU A 139 9.000 -17.750 4.595 1.00 6.83 O ATOM 2102 OXT GLU A 139 8.784 -21.404 8.582 1.00 6.77 O ATOM 0 H GLU A 139 8.135 -17.331 7.981 1.00 5.24 H new ATOM 0 HA GLU A 139 8.719 -19.840 6.634 1.00 5.77 H new ATOM 0 HB2 GLU A 139 10.454 -18.207 8.513 1.00 5.85 H new ATOM 0 HB3 GLU A 139 10.980 -19.436 7.379 1.00 5.85 H new ATOM 0 HG2 GLU A 139 9.848 -16.701 6.711 1.00 6.19 H new ATOM 0 HG3 GLU A 139 11.500 -17.241 6.493 1.00 6.19 H new TER 2109 GLU A 139 HETATM 2110 CA CA A 141 11.776 -5.623 3.071 1.00 0.59 CA