USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1125 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 118 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Set 1.2: A 119 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 92 LYS NZ :NH3+ 168:sc= 1.2 (180deg=1.16) USER MOD Set 2.2: A 93 ASN : amide:sc= -0.714 K(o=0.49,f=-4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.785 (180deg=0.771) USER MOD Single : A 5 THR OG1 : rot -100:sc= 0.0872 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 51:sc= 1.23 USER MOD Single : A 11 THR OG1 : rot 124:sc= 0.076 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -3.29! K(o=-3.3!,f=-0.64) USER MOD Single : A 19 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.13) USER MOD Single : A 20 TYR OH : rot 180:sc= 0.4 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 1.26 (180deg=0.592) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -159:sc= -0.112 (180deg=-0.616) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -0.0417 (180deg=-0.296) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.24) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -75:sc= -0.0539 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 97 GLN : amide:sc= 1.11 K(o=1.1,f=-0.93) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.0306 (180deg=-0.262) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0628 K(o=-0.063,f=-3) USER MOD Single : A 105 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.084 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.0266 K(o=-0.027,f=-1.7!) USER MOD Single : A 124 ASN : amide:sc= -0.631! X(o=-0.63!,f=-0.2) USER MOD Single : A 126 TYR OH : rot -146:sc= 1.27 USER MOD Single : A 129 MET CE :methyl -157:sc= -0.177 (180deg=-0.677) USER MOD Single : A 130 LYS NZ :NH3+ 139:sc=-0.00856 (180deg=-0.202) USER MOD Single : A 132 LYS NZ :NH3+ -146:sc= 0.951 (180deg=-0.512!) USER MOD Single : A 133 SER OG : rot 58:sc= 1.26 USER MOD Single : A 142 HIS : no HE2:sc= 0.634 K(o=0.63,f=-2.3!) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 146 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.467 13.773 3.285 1.00 23.54 N ATOM 2 CA MET A 1 -13.597 15.193 2.899 1.00 40.25 C ATOM 3 C MET A 1 -14.029 15.246 1.437 1.00 33.40 C ATOM 4 O MET A 1 -14.453 14.229 0.889 1.00 35.44 O ATOM 5 CB MET A 1 -12.250 15.904 3.126 1.00 64.10 C ATOM 6 CG MET A 1 -12.331 17.423 3.213 1.00 43.51 C ATOM 7 SD MET A 1 -11.792 18.236 1.697 1.00 42.43 S ATOM 8 CE MET A 1 -11.961 19.959 2.156 1.00 54.34 C ATOM 0 H1 MET A 1 -13.092 13.709 4.253 1.00 23.54 H new ATOM 0 H2 MET A 1 -14.400 13.315 3.245 1.00 23.54 H new ATOM 0 H3 MET A 1 -12.818 13.293 2.630 1.00 23.54 H new ATOM 0 HA MET A 1 -14.345 15.705 3.504 1.00 40.25 H new ATOM 0 HB2 MET A 1 -11.807 15.525 4.047 1.00 64.10 H new ATOM 0 HB3 MET A 1 -11.574 15.637 2.314 1.00 64.10 H new ATOM 0 HG2 MET A 1 -13.358 17.716 3.432 1.00 43.51 H new ATOM 0 HG3 MET A 1 -11.716 17.769 4.044 1.00 43.51 H new ATOM 0 HE1 MET A 1 -11.664 20.590 1.318 1.00 54.34 H new ATOM 0 HE2 MET A 1 -12.999 20.166 2.416 1.00 54.34 H new ATOM 0 HE3 MET A 1 -11.323 20.171 3.014 1.00 54.34 H new ATOM 20 N ASP A 2 -13.944 16.405 0.806 1.00 14.21 N ATOM 21 CA ASP A 2 -14.238 16.501 -0.614 1.00 31.11 C ATOM 22 C ASP A 2 -13.018 16.059 -1.408 1.00 23.40 C ATOM 23 O ASP A 2 -12.285 16.874 -1.971 1.00 64.24 O ATOM 24 CB ASP A 2 -14.656 17.921 -1.005 1.00 1.51 C ATOM 25 CG ASP A 2 -15.077 18.017 -2.458 1.00 32.12 C ATOM 26 OD1 ASP A 2 -15.786 17.109 -2.942 1.00 21.54 O ATOM 27 OD2 ASP A 2 -14.727 19.013 -3.120 1.00 70.34 O ATOM 0 H ASP A 2 -13.677 17.284 1.249 1.00 14.21 H new ATOM 0 HA ASP A 2 -15.078 15.845 -0.843 1.00 31.11 H new ATOM 0 HB2 ASP A 2 -15.480 18.243 -0.368 1.00 1.51 H new ATOM 0 HB3 ASP A 2 -13.827 18.605 -0.823 1.00 1.51 H new ATOM 32 N ASP A 3 -12.787 14.758 -1.394 1.00 2.44 N ATOM 33 CA ASP A 3 -11.652 14.156 -2.059 1.00 42.42 C ATOM 34 C ASP A 3 -12.137 13.169 -3.103 1.00 14.42 C ATOM 35 O ASP A 3 -12.595 12.074 -2.791 1.00 45.42 O ATOM 36 CB ASP A 3 -10.698 13.485 -1.054 1.00 55.24 C ATOM 37 CG ASP A 3 -11.400 12.714 0.056 1.00 74.53 C ATOM 38 OD1 ASP A 3 -11.691 11.516 -0.125 1.00 72.31 O ATOM 39 OD2 ASP A 3 -11.618 13.297 1.144 1.00 51.13 O ATOM 0 H ASP A 3 -13.388 14.087 -0.916 1.00 2.44 H new ATOM 0 HA ASP A 3 -11.084 14.942 -2.556 1.00 42.42 H new ATOM 0 HB2 ASP A 3 -10.040 12.804 -1.594 1.00 55.24 H new ATOM 0 HB3 ASP A 3 -10.065 14.250 -0.605 1.00 55.24 H new ATOM 44 N ARG A 4 -12.063 13.591 -4.345 1.00 63.44 N ATOM 45 CA ARG A 4 -12.584 12.814 -5.459 1.00 65.25 C ATOM 46 C ARG A 4 -11.442 12.246 -6.289 1.00 31.33 C ATOM 47 O ARG A 4 -11.661 11.545 -7.279 1.00 40.45 O ATOM 48 CB ARG A 4 -13.471 13.705 -6.326 1.00 5.40 C ATOM 49 CG ARG A 4 -14.369 14.621 -5.513 1.00 14.03 C ATOM 50 CD ARG A 4 -15.077 15.632 -6.392 1.00 13.43 C ATOM 51 NE ARG A 4 -15.585 16.759 -5.617 1.00 22.11 N ATOM 52 CZ ARG A 4 -16.108 17.856 -6.154 1.00 2.42 C ATOM 53 NH1 ARG A 4 -16.279 17.942 -7.467 1.00 4.14 N ATOM 54 NH2 ARG A 4 -16.467 18.861 -5.368 1.00 71.04 N ATOM 0 H ARG A 4 -11.642 14.480 -4.616 1.00 63.44 H new ATOM 0 HA ARG A 4 -13.173 11.983 -5.071 1.00 65.25 H new ATOM 0 HB2 ARG A 4 -12.841 14.309 -6.979 1.00 5.40 H new ATOM 0 HB3 ARG A 4 -14.088 13.078 -6.969 1.00 5.40 H new ATOM 0 HG2 ARG A 4 -15.107 14.025 -4.976 1.00 14.03 H new ATOM 0 HG3 ARG A 4 -13.774 15.143 -4.763 1.00 14.03 H new ATOM 0 HD2 ARG A 4 -14.389 15.996 -7.155 1.00 13.43 H new ATOM 0 HD3 ARG A 4 -15.903 15.147 -6.913 1.00 13.43 H new ATOM 0 HE ARG A 4 -15.536 16.701 -4.600 1.00 22.11 H new ATOM 0 HH11 ARG A 4 -16.009 17.164 -8.069 1.00 4.14 H new ATOM 0 HH12 ARG A 4 -16.681 18.786 -7.875 1.00 4.14 H new ATOM 0 HH21 ARG A 4 -16.341 18.789 -4.358 1.00 71.04 H new ATOM 0 HH22 ARG A 4 -16.869 19.706 -5.773 1.00 71.04 H new ATOM 68 N THR A 5 -10.225 12.559 -5.877 1.00 64.31 N ATOM 69 CA THR A 5 -9.036 12.119 -6.586 1.00 61.45 C ATOM 70 C THR A 5 -8.783 10.630 -6.377 1.00 15.33 C ATOM 71 O THR A 5 -9.079 10.087 -5.311 1.00 25.32 O ATOM 72 CB THR A 5 -7.799 12.905 -6.118 1.00 62.33 C ATOM 73 OG1 THR A 5 -7.691 12.825 -4.691 1.00 65.42 O ATOM 74 CG2 THR A 5 -7.881 14.365 -6.548 1.00 51.05 C ATOM 0 H THR A 5 -10.034 13.121 -5.048 1.00 64.31 H new ATOM 0 HA THR A 5 -9.209 12.305 -7.646 1.00 61.45 H new ATOM 0 HB THR A 5 -6.916 12.464 -6.580 1.00 62.33 H new ATOM 0 HG1 THR A 5 -8.040 13.648 -4.290 1.00 65.42 H new ATOM 0 HG21 THR A 5 -6.994 14.896 -6.204 1.00 51.05 H new ATOM 0 HG22 THR A 5 -7.939 14.421 -7.635 1.00 51.05 H new ATOM 0 HG23 THR A 5 -8.769 14.823 -6.113 1.00 51.05 H new ATOM 82 N GLU A 6 -8.245 9.986 -7.401 1.00 52.21 N ATOM 83 CA GLU A 6 -7.837 8.592 -7.308 1.00 32.32 C ATOM 84 C GLU A 6 -6.725 8.438 -6.271 1.00 12.04 C ATOM 85 O GLU A 6 -5.813 9.265 -6.201 1.00 2.02 O ATOM 86 CB GLU A 6 -7.382 8.099 -8.685 1.00 53.42 C ATOM 87 CG GLU A 6 -6.375 9.019 -9.361 1.00 52.24 C ATOM 88 CD GLU A 6 -6.437 8.936 -10.871 1.00 63.12 C ATOM 89 OE1 GLU A 6 -7.442 9.407 -11.451 1.00 32.00 O ATOM 90 OE2 GLU A 6 -5.491 8.411 -11.491 1.00 43.11 O ATOM 0 H GLU A 6 -8.080 10.410 -8.314 1.00 52.21 H new ATOM 0 HA GLU A 6 -8.682 7.984 -6.985 1.00 32.32 H new ATOM 0 HB2 GLU A 6 -6.941 7.108 -8.579 1.00 53.42 H new ATOM 0 HB3 GLU A 6 -8.254 7.993 -9.330 1.00 53.42 H new ATOM 0 HG2 GLU A 6 -6.560 10.047 -9.049 1.00 52.24 H new ATOM 0 HG3 GLU A 6 -5.370 8.760 -9.027 1.00 52.24 H new ATOM 97 N TYR A 7 -6.816 7.395 -5.456 1.00 23.33 N ATOM 98 CA TYR A 7 -5.882 7.209 -4.354 1.00 51.23 C ATOM 99 C TYR A 7 -4.511 6.781 -4.856 1.00 61.10 C ATOM 100 O TYR A 7 -4.393 5.936 -5.746 1.00 61.21 O ATOM 101 CB TYR A 7 -6.391 6.156 -3.367 1.00 54.32 C ATOM 102 CG TYR A 7 -7.755 6.442 -2.775 1.00 50.24 C ATOM 103 CD1 TYR A 7 -7.967 7.547 -1.958 1.00 45.15 C ATOM 104 CD2 TYR A 7 -8.826 5.590 -3.015 1.00 32.02 C ATOM 105 CE1 TYR A 7 -9.208 7.796 -1.402 1.00 12.04 C ATOM 106 CE2 TYR A 7 -10.071 5.834 -2.465 1.00 53.42 C ATOM 107 CZ TYR A 7 -10.255 6.937 -1.660 1.00 41.24 C ATOM 108 OH TYR A 7 -11.491 7.179 -1.106 1.00 0.14 O ATOM 0 H TYR A 7 -7.525 6.667 -5.537 1.00 23.33 H new ATOM 0 HA TYR A 7 -5.799 8.171 -3.849 1.00 51.23 H new ATOM 0 HB2 TYR A 7 -6.426 5.192 -3.874 1.00 54.32 H new ATOM 0 HB3 TYR A 7 -5.671 6.063 -2.554 1.00 54.32 H new ATOM 0 HD1 TYR A 7 -7.149 8.222 -1.754 1.00 45.15 H new ATOM 0 HD2 TYR A 7 -8.684 4.722 -3.642 1.00 32.02 H new ATOM 0 HE1 TYR A 7 -9.356 8.658 -0.769 1.00 12.04 H new ATOM 0 HE2 TYR A 7 -10.894 5.164 -2.665 1.00 53.42 H new ATOM 0 HH TYR A 7 -12.118 6.481 -1.388 1.00 0.14 H new ATOM 118 N ASP A 8 -3.481 7.364 -4.274 1.00 22.25 N ATOM 119 CA ASP A 8 -2.116 6.950 -4.551 1.00 33.41 C ATOM 120 C ASP A 8 -1.514 6.400 -3.265 1.00 13.12 C ATOM 121 O ASP A 8 -1.676 6.989 -2.195 1.00 23.54 O ATOM 122 CB ASP A 8 -1.289 8.124 -5.087 1.00 23.50 C ATOM 123 CG ASP A 8 -0.050 7.672 -5.844 1.00 32.23 C ATOM 124 OD1 ASP A 8 0.165 6.451 -5.976 1.00 63.25 O ATOM 125 OD2 ASP A 8 0.705 8.542 -6.336 1.00 14.42 O ATOM 0 H ASP A 8 -3.562 8.129 -3.604 1.00 22.25 H new ATOM 0 HA ASP A 8 -2.111 6.177 -5.319 1.00 33.41 H new ATOM 0 HB2 ASP A 8 -1.911 8.730 -5.745 1.00 23.50 H new ATOM 0 HB3 ASP A 8 -0.989 8.762 -4.255 1.00 23.50 H new ATOM 130 N VAL A 9 -0.851 5.264 -3.352 1.00 64.01 N ATOM 131 CA VAL A 9 -0.367 4.587 -2.161 1.00 33.55 C ATOM 132 C VAL A 9 1.121 4.271 -2.277 1.00 44.33 C ATOM 133 O VAL A 9 1.560 3.562 -3.183 1.00 72.31 O ATOM 134 CB VAL A 9 -1.187 3.303 -1.849 1.00 23.54 C ATOM 135 CG1 VAL A 9 -2.626 3.659 -1.507 1.00 11.33 C ATOM 136 CG2 VAL A 9 -1.164 2.324 -3.007 1.00 43.13 C ATOM 0 H VAL A 9 -0.635 4.791 -4.229 1.00 64.01 H new ATOM 0 HA VAL A 9 -0.506 5.270 -1.323 1.00 33.55 H new ATOM 0 HB VAL A 9 -0.718 2.822 -0.990 1.00 23.54 H new ATOM 0 HG11 VAL A 9 -3.185 2.748 -1.292 1.00 11.33 H new ATOM 0 HG12 VAL A 9 -2.642 4.310 -0.633 1.00 11.33 H new ATOM 0 HG13 VAL A 9 -3.084 4.174 -2.351 1.00 11.33 H new ATOM 0 HG21 VAL A 9 -1.748 1.441 -2.749 1.00 43.13 H new ATOM 0 HG22 VAL A 9 -1.592 2.796 -3.891 1.00 43.13 H new ATOM 0 HG23 VAL A 9 -0.135 2.030 -3.215 1.00 43.13 H new ATOM 146 N TYR A 10 1.901 4.826 -1.366 1.00 4.23 N ATOM 147 CA TYR A 10 3.341 4.644 -1.387 1.00 2.13 C ATOM 148 C TYR A 10 3.786 3.698 -0.284 1.00 73.24 C ATOM 149 O TYR A 10 3.220 3.686 0.808 1.00 2.45 O ATOM 150 CB TYR A 10 4.058 5.988 -1.237 1.00 11.02 C ATOM 151 CG TYR A 10 3.727 6.983 -2.326 1.00 21.44 C ATOM 152 CD1 TYR A 10 3.953 6.681 -3.662 1.00 35.50 C ATOM 153 CD2 TYR A 10 3.192 8.226 -2.015 1.00 64.52 C ATOM 154 CE1 TYR A 10 3.654 7.589 -4.657 1.00 22.42 C ATOM 155 CE2 TYR A 10 2.892 9.139 -3.005 1.00 44.15 C ATOM 156 CZ TYR A 10 3.123 8.816 -4.323 1.00 60.51 C ATOM 157 OH TYR A 10 2.816 9.720 -5.312 1.00 31.43 O ATOM 0 H TYR A 10 1.560 5.408 -0.601 1.00 4.23 H new ATOM 0 HA TYR A 10 3.606 4.207 -2.350 1.00 2.13 H new ATOM 0 HB2 TYR A 10 3.799 6.421 -0.271 1.00 11.02 H new ATOM 0 HB3 TYR A 10 5.134 5.816 -1.230 1.00 11.02 H new ATOM 0 HD1 TYR A 10 4.369 5.720 -3.927 1.00 35.50 H new ATOM 0 HD2 TYR A 10 3.008 8.482 -0.982 1.00 64.52 H new ATOM 0 HE1 TYR A 10 3.835 7.339 -5.692 1.00 22.42 H new ATOM 0 HE2 TYR A 10 2.478 10.103 -2.747 1.00 44.15 H new ATOM 0 HH TYR A 10 2.267 9.283 -5.996 1.00 31.43 H new ATOM 167 N THR A 11 4.798 2.907 -0.582 1.00 61.30 N ATOM 168 CA THR A 11 5.369 1.987 0.379 1.00 53.12 C ATOM 169 C THR A 11 6.885 1.960 0.228 1.00 42.24 C ATOM 170 O THR A 11 7.421 1.344 -0.695 1.00 43.52 O ATOM 171 CB THR A 11 4.783 0.562 0.218 1.00 14.20 C ATOM 172 OG1 THR A 11 5.577 -0.392 0.929 1.00 12.11 O ATOM 173 CG2 THR A 11 4.690 0.162 -1.249 1.00 24.32 C ATOM 0 H THR A 11 5.247 2.885 -1.498 1.00 61.30 H new ATOM 0 HA THR A 11 5.113 2.336 1.379 1.00 53.12 H new ATOM 0 HB THR A 11 3.776 0.573 0.636 1.00 14.20 H new ATOM 0 HG1 THR A 11 5.013 -0.876 1.568 1.00 12.11 H new ATOM 0 HG21 THR A 11 4.275 -0.843 -1.327 1.00 24.32 H new ATOM 0 HG22 THR A 11 4.044 0.863 -1.777 1.00 24.32 H new ATOM 0 HG23 THR A 11 5.685 0.179 -1.695 1.00 24.32 H new ATOM 181 N ASP A 12 7.574 2.649 1.121 1.00 52.43 N ATOM 182 CA ASP A 12 9.020 2.762 1.026 1.00 41.21 C ATOM 183 C ASP A 12 9.693 1.650 1.814 1.00 25.35 C ATOM 184 O ASP A 12 9.273 1.309 2.922 1.00 51.33 O ATOM 185 CB ASP A 12 9.503 4.127 1.528 1.00 43.34 C ATOM 186 CG ASP A 12 10.952 4.407 1.153 1.00 74.53 C ATOM 187 OD1 ASP A 12 11.853 3.706 1.660 1.00 23.22 O ATOM 188 OD2 ASP A 12 11.191 5.328 0.343 1.00 35.33 O ATOM 0 H ASP A 12 7.159 3.136 1.916 1.00 52.43 H new ATOM 0 HA ASP A 12 9.293 2.668 -0.025 1.00 41.21 H new ATOM 0 HB2 ASP A 12 8.866 4.909 1.114 1.00 43.34 H new ATOM 0 HB3 ASP A 12 9.397 4.170 2.612 1.00 43.34 H new ATOM 193 N GLY A 13 10.711 1.072 1.209 1.00 53.32 N ATOM 194 CA GLY A 13 11.513 0.068 1.866 1.00 53.13 C ATOM 195 C GLY A 13 12.957 0.197 1.453 1.00 53.03 C ATOM 196 O GLY A 13 13.693 -0.791 1.385 1.00 53.22 O ATOM 0 H GLY A 13 11.002 1.285 0.255 1.00 53.32 H new ATOM 0 HA2 GLY A 13 11.426 0.174 2.947 1.00 53.13 H new ATOM 0 HA3 GLY A 13 11.143 -0.925 1.613 1.00 53.13 H new ATOM 200 N SER A 14 13.355 1.429 1.174 1.00 23.12 N ATOM 201 CA SER A 14 14.680 1.716 0.664 1.00 11.12 C ATOM 202 C SER A 14 15.671 1.869 1.812 1.00 2.31 C ATOM 203 O SER A 14 15.692 2.891 2.501 1.00 53.03 O ATOM 204 CB SER A 14 14.638 2.987 -0.194 1.00 43.14 C ATOM 205 OG SER A 14 15.890 3.242 -0.816 1.00 75.32 O ATOM 0 H SER A 14 12.767 2.254 1.296 1.00 23.12 H new ATOM 0 HA SER A 14 15.012 0.884 0.043 1.00 11.12 H new ATOM 0 HB2 SER A 14 13.866 2.886 -0.957 1.00 43.14 H new ATOM 0 HB3 SER A 14 14.361 3.838 0.429 1.00 43.14 H new ATOM 0 HG SER A 14 15.827 4.058 -1.356 1.00 75.32 H new ATOM 211 N TYR A 15 16.482 0.838 2.019 1.00 40.41 N ATOM 212 CA TYR A 15 17.480 0.851 3.076 1.00 51.03 C ATOM 213 C TYR A 15 18.468 1.995 2.874 1.00 3.14 C ATOM 214 O TYR A 15 18.958 2.223 1.767 1.00 4.12 O ATOM 215 CB TYR A 15 18.211 -0.498 3.159 1.00 11.12 C ATOM 216 CG TYR A 15 18.718 -1.032 1.834 1.00 4.23 C ATOM 217 CD1 TYR A 15 17.885 -1.763 0.993 1.00 14.32 C ATOM 218 CD2 TYR A 15 20.030 -0.822 1.434 1.00 75.15 C ATOM 219 CE1 TYR A 15 18.348 -2.268 -0.206 1.00 31.53 C ATOM 220 CE2 TYR A 15 20.499 -1.320 0.234 1.00 61.43 C ATOM 221 CZ TYR A 15 19.656 -2.042 -0.581 1.00 14.51 C ATOM 222 OH TYR A 15 20.126 -2.544 -1.773 1.00 55.54 O ATOM 0 H TYR A 15 16.466 -0.019 1.466 1.00 40.41 H new ATOM 0 HA TYR A 15 16.966 1.012 4.024 1.00 51.03 H new ATOM 0 HB2 TYR A 15 19.056 -0.396 3.840 1.00 11.12 H new ATOM 0 HB3 TYR A 15 17.536 -1.234 3.596 1.00 11.12 H new ATOM 0 HD1 TYR A 15 16.859 -1.938 1.283 1.00 14.32 H new ATOM 0 HD2 TYR A 15 20.696 -0.260 2.072 1.00 75.15 H new ATOM 0 HE1 TYR A 15 17.690 -2.837 -0.846 1.00 31.53 H new ATOM 0 HE2 TYR A 15 21.522 -1.144 -0.064 1.00 61.43 H new ATOM 0 HH TYR A 15 21.067 -2.293 -1.885 1.00 55.54 H new ATOM 232 N VAL A 16 18.742 2.717 3.948 1.00 22.35 N ATOM 233 CA VAL A 16 19.627 3.869 3.899 1.00 22.11 C ATOM 234 C VAL A 16 20.751 3.711 4.922 1.00 64.52 C ATOM 235 O VAL A 16 20.506 3.340 6.073 1.00 30.33 O ATOM 236 CB VAL A 16 18.841 5.184 4.138 1.00 12.11 C ATOM 237 CG1 VAL A 16 18.155 5.184 5.497 1.00 24.40 C ATOM 238 CG2 VAL A 16 19.751 6.394 3.994 1.00 51.42 C ATOM 0 H VAL A 16 18.360 2.523 4.873 1.00 22.35 H new ATOM 0 HA VAL A 16 20.068 3.925 2.904 1.00 22.11 H new ATOM 0 HB VAL A 16 18.065 5.246 3.375 1.00 12.11 H new ATOM 0 HG11 VAL A 16 17.613 6.120 5.631 1.00 24.40 H new ATOM 0 HG12 VAL A 16 17.456 4.349 5.552 1.00 24.40 H new ATOM 0 HG13 VAL A 16 18.904 5.082 6.283 1.00 24.40 H new ATOM 0 HG21 VAL A 16 19.176 7.304 4.166 1.00 51.42 H new ATOM 0 HG22 VAL A 16 20.558 6.331 4.724 1.00 51.42 H new ATOM 0 HG23 VAL A 16 20.172 6.415 2.989 1.00 51.42 H new ATOM 248 N ASN A 17 21.985 3.953 4.481 1.00 42.32 N ATOM 249 CA ASN A 17 23.171 3.775 5.323 1.00 33.42 C ATOM 250 C ASN A 17 23.286 2.331 5.804 1.00 30.33 C ATOM 251 O ASN A 17 23.874 2.059 6.853 1.00 31.12 O ATOM 252 CB ASN A 17 23.153 4.729 6.528 1.00 74.42 C ATOM 253 CG ASN A 17 23.491 6.161 6.154 1.00 3.13 C ATOM 254 OD1 ASN A 17 24.658 6.557 6.163 1.00 32.40 O ATOM 255 ND2 ASN A 17 22.478 6.949 5.831 1.00 45.24 N ATOM 0 H ASN A 17 22.192 4.276 3.536 1.00 42.32 H new ATOM 0 HA ASN A 17 24.041 4.013 4.711 1.00 33.42 H new ATOM 0 HB2 ASN A 17 22.166 4.703 6.991 1.00 74.42 H new ATOM 0 HB3 ASN A 17 23.865 4.376 7.275 1.00 74.42 H new ATOM 0 HD21 ASN A 17 22.649 7.922 5.578 1.00 45.24 H new ATOM 0 HD22 ASN A 17 21.526 6.583 5.835 1.00 45.24 H new ATOM 262 N GLY A 18 22.747 1.406 5.019 1.00 63.30 N ATOM 263 CA GLY A 18 22.815 0.000 5.368 1.00 0.24 C ATOM 264 C GLY A 18 21.694 -0.437 6.292 1.00 24.44 C ATOM 265 O GLY A 18 21.618 -1.602 6.674 1.00 71.23 O ATOM 0 H GLY A 18 22.262 1.606 4.144 1.00 63.30 H new ATOM 0 HA2 GLY A 18 22.780 -0.597 4.457 1.00 0.24 H new ATOM 0 HA3 GLY A 18 23.773 -0.204 5.846 1.00 0.24 H new ATOM 269 N GLN A 19 20.826 0.492 6.660 1.00 14.31 N ATOM 270 CA GLN A 19 19.717 0.180 7.547 1.00 4.12 C ATOM 271 C GLN A 19 18.393 0.296 6.812 1.00 53.15 C ATOM 272 O GLN A 19 18.100 1.323 6.199 1.00 11.25 O ATOM 273 CB GLN A 19 19.736 1.105 8.763 1.00 23.21 C ATOM 274 CG GLN A 19 20.934 0.879 9.669 1.00 74.32 C ATOM 275 CD GLN A 19 20.891 -0.473 10.358 1.00 15.21 C ATOM 276 OE1 GLN A 19 20.376 -0.600 11.467 1.00 72.31 O ATOM 277 NE2 GLN A 19 21.424 -1.494 9.706 1.00 3.30 N ATOM 0 H GLN A 19 20.868 1.466 6.359 1.00 14.31 H new ATOM 0 HA GLN A 19 19.828 -0.849 7.889 1.00 4.12 H new ATOM 0 HB2 GLN A 19 19.736 2.141 8.423 1.00 23.21 H new ATOM 0 HB3 GLN A 19 18.821 0.958 9.337 1.00 23.21 H new ATOM 0 HG2 GLN A 19 21.849 0.956 9.082 1.00 74.32 H new ATOM 0 HG3 GLN A 19 20.971 1.666 10.422 1.00 74.32 H new ATOM 0 HE21 GLN A 19 21.843 -1.350 8.787 1.00 3.30 H new ATOM 0 HE22 GLN A 19 21.416 -2.425 10.122 1.00 3.30 H new ATOM 286 N TYR A 20 17.599 -0.760 6.873 1.00 34.40 N ATOM 287 CA TYR A 20 16.342 -0.809 6.144 1.00 5.22 C ATOM 288 C TYR A 20 15.155 -0.579 7.070 1.00 61.32 C ATOM 289 O TYR A 20 15.253 -0.754 8.286 1.00 3.22 O ATOM 290 CB TYR A 20 16.190 -2.157 5.423 1.00 64.54 C ATOM 291 CG TYR A 20 16.101 -3.351 6.348 1.00 50.23 C ATOM 292 CD1 TYR A 20 14.907 -3.675 6.973 1.00 13.04 C ATOM 293 CD2 TYR A 20 17.207 -4.159 6.592 1.00 13.12 C ATOM 294 CE1 TYR A 20 14.815 -4.756 7.817 1.00 11.41 C ATOM 295 CE2 TYR A 20 17.120 -5.250 7.438 1.00 73.13 C ATOM 296 CZ TYR A 20 15.918 -5.543 8.046 1.00 51.21 C ATOM 297 OH TYR A 20 15.814 -6.627 8.889 1.00 75.02 O ATOM 0 H TYR A 20 17.803 -1.596 7.421 1.00 34.40 H new ATOM 0 HA TYR A 20 16.358 -0.009 5.404 1.00 5.22 H new ATOM 0 HB2 TYR A 20 15.294 -2.125 4.803 1.00 64.54 H new ATOM 0 HB3 TYR A 20 17.038 -2.294 4.752 1.00 64.54 H new ATOM 0 HD1 TYR A 20 14.033 -3.067 6.794 1.00 13.04 H new ATOM 0 HD2 TYR A 20 18.148 -3.931 6.114 1.00 13.12 H new ATOM 0 HE1 TYR A 20 13.877 -4.987 8.300 1.00 11.41 H new ATOM 0 HE2 TYR A 20 17.987 -5.867 7.621 1.00 73.13 H new ATOM 0 HH TYR A 20 16.680 -7.082 8.946 1.00 75.02 H new ATOM 307 N ALA A 21 14.040 -0.197 6.474 1.00 62.43 N ATOM 308 CA ALA A 21 12.792 -0.009 7.192 1.00 35.12 C ATOM 309 C ALA A 21 11.639 -0.213 6.224 1.00 61.11 C ATOM 310 O ALA A 21 11.861 -0.328 5.018 1.00 11.52 O ATOM 311 CB ALA A 21 12.733 1.380 7.814 1.00 53.30 C ATOM 0 H ALA A 21 13.974 -0.008 5.474 1.00 62.43 H new ATOM 0 HA ALA A 21 12.723 -0.735 8.002 1.00 35.12 H new ATOM 0 HB1 ALA A 21 11.790 1.500 8.347 1.00 53.30 H new ATOM 0 HB2 ALA A 21 13.562 1.502 8.511 1.00 53.30 H new ATOM 0 HB3 ALA A 21 12.805 2.133 7.029 1.00 53.30 H new ATOM 317 N TRP A 22 10.422 -0.286 6.734 1.00 13.41 N ATOM 318 CA TRP A 22 9.260 -0.399 5.872 1.00 42.11 C ATOM 319 C TRP A 22 8.144 0.505 6.371 1.00 20.32 C ATOM 320 O TRP A 22 7.796 0.494 7.551 1.00 2.13 O ATOM 321 CB TRP A 22 8.795 -1.860 5.751 1.00 63.52 C ATOM 322 CG TRP A 22 8.588 -2.572 7.058 1.00 52.41 C ATOM 323 CD1 TRP A 22 9.553 -3.071 7.886 1.00 52.24 C ATOM 324 CD2 TRP A 22 7.333 -2.896 7.665 1.00 42.02 C ATOM 325 NE1 TRP A 22 8.973 -3.672 8.976 1.00 62.31 N ATOM 326 CE2 TRP A 22 7.612 -3.580 8.865 1.00 33.00 C ATOM 327 CE3 TRP A 22 6.001 -2.671 7.314 1.00 60.50 C ATOM 328 CZ2 TRP A 22 6.605 -4.041 9.709 1.00 63.32 C ATOM 329 CZ3 TRP A 22 5.005 -3.127 8.151 1.00 54.05 C ATOM 330 CH2 TRP A 22 5.310 -3.806 9.338 1.00 71.01 C ATOM 0 H TRP A 22 10.214 -0.269 7.732 1.00 13.41 H new ATOM 0 HA TRP A 22 9.540 -0.070 4.871 1.00 42.11 H new ATOM 0 HB2 TRP A 22 7.860 -1.883 5.190 1.00 63.52 H new ATOM 0 HB3 TRP A 22 9.531 -2.412 5.166 1.00 63.52 H new ATOM 0 HD1 TRP A 22 10.616 -3.003 7.709 1.00 52.24 H new ATOM 0 HE1 TRP A 22 9.476 -4.116 9.745 1.00 62.31 H new ATOM 0 HE3 TRP A 22 5.755 -2.148 6.402 1.00 60.50 H new ATOM 0 HZ2 TRP A 22 6.838 -4.565 10.624 1.00 63.32 H new ATOM 0 HZ3 TRP A 22 3.971 -2.958 7.887 1.00 54.05 H new ATOM 0 HH2 TRP A 22 4.507 -4.151 9.972 1.00 71.01 H new ATOM 341 N ALA A 23 7.600 1.297 5.467 1.00 20.50 N ATOM 342 CA ALA A 23 6.602 2.285 5.825 1.00 74.34 C ATOM 343 C ALA A 23 5.560 2.433 4.728 1.00 52.42 C ATOM 344 O ALA A 23 5.850 2.209 3.552 1.00 53.02 O ATOM 345 CB ALA A 23 7.273 3.620 6.096 1.00 4.31 C ATOM 0 H ALA A 23 7.834 1.274 4.475 1.00 20.50 H new ATOM 0 HA ALA A 23 6.093 1.948 6.728 1.00 74.34 H new ATOM 0 HB1 ALA A 23 6.518 4.359 6.365 1.00 4.31 H new ATOM 0 HB2 ALA A 23 7.982 3.511 6.917 1.00 4.31 H new ATOM 0 HB3 ALA A 23 7.801 3.950 5.201 1.00 4.31 H new ATOM 351 N TYR A 24 4.355 2.817 5.115 1.00 74.15 N ATOM 352 CA TYR A 24 3.273 2.998 4.163 1.00 51.10 C ATOM 353 C TYR A 24 2.723 4.412 4.241 1.00 10.31 C ATOM 354 O TYR A 24 2.553 4.966 5.329 1.00 15.01 O ATOM 355 CB TYR A 24 2.145 1.992 4.416 1.00 54.40 C ATOM 356 CG TYR A 24 2.535 0.549 4.169 1.00 55.44 C ATOM 357 CD1 TYR A 24 3.065 -0.231 5.189 1.00 1.23 C ATOM 358 CD2 TYR A 24 2.362 -0.034 2.918 1.00 3.21 C ATOM 359 CE1 TYR A 24 3.416 -1.550 4.970 1.00 3.02 C ATOM 360 CE2 TYR A 24 2.711 -1.352 2.692 1.00 40.32 C ATOM 361 CZ TYR A 24 3.236 -2.106 3.721 1.00 70.20 C ATOM 362 OH TYR A 24 3.582 -3.419 3.498 1.00 24.43 O ATOM 0 H TYR A 24 4.102 3.010 6.084 1.00 74.15 H new ATOM 0 HA TYR A 24 3.677 2.827 3.165 1.00 51.10 H new ATOM 0 HB2 TYR A 24 1.806 2.094 5.447 1.00 54.40 H new ATOM 0 HB3 TYR A 24 1.299 2.243 3.776 1.00 54.40 H new ATOM 0 HD1 TYR A 24 3.205 0.200 6.169 1.00 1.23 H new ATOM 0 HD2 TYR A 24 1.949 0.552 2.111 1.00 3.21 H new ATOM 0 HE1 TYR A 24 3.829 -2.142 5.773 1.00 3.02 H new ATOM 0 HE2 TYR A 24 2.573 -1.790 1.714 1.00 40.32 H new ATOM 0 HH TYR A 24 3.390 -3.654 2.566 1.00 24.43 H new ATOM 372 N ALA A 25 2.447 4.987 3.081 1.00 40.54 N ATOM 373 CA ALA A 25 1.884 6.325 2.993 1.00 3.32 C ATOM 374 C ALA A 25 0.696 6.337 2.045 1.00 41.40 C ATOM 375 O ALA A 25 0.854 6.193 0.832 1.00 3.44 O ATOM 376 CB ALA A 25 2.934 7.323 2.528 1.00 4.45 C ATOM 0 H ALA A 25 2.606 4.541 2.177 1.00 40.54 H new ATOM 0 HA ALA A 25 1.546 6.618 3.987 1.00 3.32 H new ATOM 0 HB1 ALA A 25 2.491 8.317 2.469 1.00 4.45 H new ATOM 0 HB2 ALA A 25 3.762 7.336 3.236 1.00 4.45 H new ATOM 0 HB3 ALA A 25 3.303 7.032 1.544 1.00 4.45 H new ATOM 382 N PHE A 26 -0.489 6.492 2.605 1.00 23.33 N ATOM 383 CA PHE A 26 -1.706 6.539 1.815 1.00 32.11 C ATOM 384 C PHE A 26 -2.124 7.987 1.614 1.00 15.10 C ATOM 385 O PHE A 26 -2.589 8.639 2.549 1.00 64.23 O ATOM 386 CB PHE A 26 -2.826 5.755 2.509 1.00 61.13 C ATOM 387 CG PHE A 26 -2.494 4.309 2.764 1.00 12.15 C ATOM 388 CD1 PHE A 26 -1.815 3.930 3.913 1.00 23.35 C ATOM 389 CD2 PHE A 26 -2.862 3.332 1.858 1.00 72.40 C ATOM 390 CE1 PHE A 26 -1.512 2.603 4.148 1.00 64.20 C ATOM 391 CE2 PHE A 26 -2.562 2.002 2.087 1.00 50.14 C ATOM 392 CZ PHE A 26 -1.886 1.639 3.235 1.00 62.34 C ATOM 0 H PHE A 26 -0.635 6.588 3.610 1.00 23.33 H new ATOM 0 HA PHE A 26 -1.518 6.080 0.844 1.00 32.11 H new ATOM 0 HB2 PHE A 26 -3.058 6.237 3.459 1.00 61.13 H new ATOM 0 HB3 PHE A 26 -3.726 5.808 1.896 1.00 61.13 H new ATOM 0 HD1 PHE A 26 -1.520 4.681 4.631 1.00 23.35 H new ATOM 0 HD2 PHE A 26 -3.391 3.611 0.959 1.00 72.40 H new ATOM 0 HE1 PHE A 26 -0.983 2.320 5.046 1.00 64.20 H new ATOM 0 HE2 PHE A 26 -2.855 1.249 1.370 1.00 50.14 H new ATOM 0 HZ PHE A 26 -1.650 0.601 3.418 1.00 62.34 H new ATOM 402 N VAL A 27 -1.949 8.490 0.404 1.00 51.44 N ATOM 403 CA VAL A 27 -2.215 9.890 0.115 1.00 44.24 C ATOM 404 C VAL A 27 -3.439 10.053 -0.782 1.00 10.31 C ATOM 405 O VAL A 27 -3.654 9.282 -1.719 1.00 11.20 O ATOM 406 CB VAL A 27 -0.981 10.575 -0.527 1.00 20.42 C ATOM 407 CG1 VAL A 27 -0.387 9.714 -1.624 1.00 24.14 C ATOM 408 CG2 VAL A 27 -1.331 11.944 -1.081 1.00 11.43 C ATOM 0 H VAL A 27 -1.623 7.949 -0.397 1.00 51.44 H new ATOM 0 HA VAL A 27 -2.424 10.380 1.066 1.00 44.24 H new ATOM 0 HB VAL A 27 -0.239 10.701 0.262 1.00 20.42 H new ATOM 0 HG11 VAL A 27 0.477 10.220 -2.056 1.00 24.14 H new ATOM 0 HG12 VAL A 27 -0.076 8.756 -1.207 1.00 24.14 H new ATOM 0 HG13 VAL A 27 -1.134 9.546 -2.399 1.00 24.14 H new ATOM 0 HG21 VAL A 27 -0.443 12.395 -1.523 1.00 11.43 H new ATOM 0 HG22 VAL A 27 -2.104 11.842 -1.843 1.00 11.43 H new ATOM 0 HG23 VAL A 27 -1.698 12.580 -0.275 1.00 11.43 H new ATOM 418 N LYS A 28 -4.247 11.057 -0.468 1.00 25.00 N ATOM 419 CA LYS A 28 -5.423 11.379 -1.257 1.00 71.12 C ATOM 420 C LYS A 28 -5.617 12.891 -1.292 1.00 33.51 C ATOM 421 O LYS A 28 -5.475 13.557 -0.266 1.00 20.13 O ATOM 422 CB LYS A 28 -6.669 10.677 -0.683 1.00 34.23 C ATOM 423 CG LYS A 28 -7.044 11.092 0.737 1.00 43.40 C ATOM 424 CD LYS A 28 -7.977 12.294 0.746 1.00 44.31 C ATOM 425 CE LYS A 28 -8.234 12.801 2.155 1.00 15.53 C ATOM 426 NZ LYS A 28 -9.206 13.925 2.169 1.00 34.12 N ATOM 0 H LYS A 28 -4.105 11.667 0.337 1.00 25.00 H new ATOM 0 HA LYS A 28 -5.279 11.020 -2.276 1.00 71.12 H new ATOM 0 HB2 LYS A 28 -7.516 10.877 -1.340 1.00 34.23 H new ATOM 0 HB3 LYS A 28 -6.501 9.600 -0.699 1.00 34.23 H new ATOM 0 HG2 LYS A 28 -7.524 10.256 1.246 1.00 43.40 H new ATOM 0 HG3 LYS A 28 -6.140 11.329 1.297 1.00 43.40 H new ATOM 0 HD2 LYS A 28 -7.544 13.094 0.146 1.00 44.31 H new ATOM 0 HD3 LYS A 28 -8.924 12.022 0.280 1.00 44.31 H new ATOM 0 HE2 LYS A 28 -8.613 11.985 2.771 1.00 15.53 H new ATOM 0 HE3 LYS A 28 -7.294 13.128 2.601 1.00 15.53 H new ATOM 0 HZ1 LYS A 28 -9.107 14.458 3.056 1.00 34.12 H new ATOM 0 HZ2 LYS A 28 -9.019 14.556 1.363 1.00 34.12 H new ATOM 0 HZ3 LYS A 28 -10.173 13.549 2.097 1.00 34.12 H new ATOM 440 N ASP A 29 -5.887 13.434 -2.480 1.00 11.32 N ATOM 441 CA ASP A 29 -6.186 14.867 -2.645 1.00 52.44 C ATOM 442 C ASP A 29 -4.984 15.748 -2.266 1.00 12.53 C ATOM 443 O ASP A 29 -5.080 16.973 -2.209 1.00 60.21 O ATOM 444 CB ASP A 29 -7.421 15.232 -1.802 1.00 0.22 C ATOM 445 CG ASP A 29 -7.923 16.642 -2.040 1.00 13.01 C ATOM 446 OD1 ASP A 29 -8.374 16.933 -3.170 1.00 72.42 O ATOM 447 OD2 ASP A 29 -7.878 17.459 -1.096 1.00 43.41 O ATOM 0 H ASP A 29 -5.906 12.903 -3.351 1.00 11.32 H new ATOM 0 HA ASP A 29 -6.398 15.056 -3.697 1.00 52.44 H new ATOM 0 HB2 ASP A 29 -8.223 14.528 -2.024 1.00 0.22 H new ATOM 0 HB3 ASP A 29 -7.177 15.116 -0.746 1.00 0.22 H new ATOM 452 N GLY A 30 -3.840 15.117 -2.035 1.00 62.02 N ATOM 453 CA GLY A 30 -2.661 15.846 -1.611 1.00 34.31 C ATOM 454 C GLY A 30 -2.485 15.803 -0.104 1.00 2.41 C ATOM 455 O GLY A 30 -1.470 16.253 0.430 1.00 32.23 O ATOM 0 H GLY A 30 -3.708 14.110 -2.134 1.00 62.02 H new ATOM 0 HA2 GLY A 30 -1.779 15.423 -2.092 1.00 34.31 H new ATOM 0 HA3 GLY A 30 -2.737 16.883 -1.939 1.00 34.31 H new ATOM 459 N LYS A 31 -3.478 15.245 0.575 1.00 62.32 N ATOM 460 CA LYS A 31 -3.451 15.116 2.023 1.00 45.34 C ATOM 461 C LYS A 31 -3.162 13.674 2.420 1.00 25.53 C ATOM 462 O LYS A 31 -3.366 12.747 1.631 1.00 64.43 O ATOM 463 CB LYS A 31 -4.791 15.568 2.611 1.00 34.01 C ATOM 464 CG LYS A 31 -5.132 17.018 2.305 1.00 4.45 C ATOM 465 CD LYS A 31 -4.161 17.971 2.980 1.00 20.22 C ATOM 466 CE LYS A 31 -4.376 19.406 2.529 1.00 1.13 C ATOM 467 NZ LYS A 31 -3.566 20.365 3.326 1.00 10.10 N ATOM 0 H LYS A 31 -4.321 14.871 0.139 1.00 62.32 H new ATOM 0 HA LYS A 31 -2.658 15.750 2.419 1.00 45.34 H new ATOM 0 HB2 LYS A 31 -5.583 14.928 2.223 1.00 34.01 H new ATOM 0 HB3 LYS A 31 -4.769 15.429 3.692 1.00 34.01 H new ATOM 0 HG2 LYS A 31 -5.111 17.178 1.227 1.00 4.45 H new ATOM 0 HG3 LYS A 31 -6.147 17.233 2.640 1.00 4.45 H new ATOM 0 HD2 LYS A 31 -4.282 17.908 4.061 1.00 20.22 H new ATOM 0 HD3 LYS A 31 -3.138 17.668 2.755 1.00 20.22 H new ATOM 0 HE2 LYS A 31 -4.114 19.498 1.475 1.00 1.13 H new ATOM 0 HE3 LYS A 31 -5.432 19.660 2.619 1.00 1.13 H new ATOM 0 HZ1 LYS A 31 -3.741 21.333 2.987 1.00 10.10 H new ATOM 0 HZ2 LYS A 31 -3.833 20.296 4.329 1.00 10.10 H new ATOM 0 HZ3 LYS A 31 -2.556 20.139 3.220 1.00 10.10 H new ATOM 481 N VAL A 32 -2.692 13.487 3.639 1.00 12.01 N ATOM 482 CA VAL A 32 -2.351 12.160 4.125 1.00 75.13 C ATOM 483 C VAL A 32 -3.584 11.472 4.702 1.00 54.21 C ATOM 484 O VAL A 32 -4.181 11.950 5.665 1.00 50.11 O ATOM 485 CB VAL A 32 -1.246 12.218 5.201 1.00 74.01 C ATOM 486 CG1 VAL A 32 -0.834 10.817 5.625 1.00 15.12 C ATOM 487 CG2 VAL A 32 -0.042 12.998 4.692 1.00 31.21 C ATOM 0 H VAL A 32 -2.537 14.237 4.313 1.00 12.01 H new ATOM 0 HA VAL A 32 -1.976 11.588 3.276 1.00 75.13 H new ATOM 0 HB VAL A 32 -1.647 12.735 6.073 1.00 74.01 H new ATOM 0 HG11 VAL A 32 -0.054 10.881 6.384 1.00 15.12 H new ATOM 0 HG12 VAL A 32 -1.697 10.292 6.035 1.00 15.12 H new ATOM 0 HG13 VAL A 32 -0.455 10.272 4.761 1.00 15.12 H new ATOM 0 HG21 VAL A 32 0.726 13.027 5.465 1.00 31.21 H new ATOM 0 HG22 VAL A 32 0.357 12.511 3.802 1.00 31.21 H new ATOM 0 HG23 VAL A 32 -0.346 14.015 4.444 1.00 31.21 H new ATOM 497 N HIS A 33 -3.964 10.356 4.101 1.00 14.01 N ATOM 498 CA HIS A 33 -5.124 9.597 4.552 1.00 45.31 C ATOM 499 C HIS A 33 -4.712 8.615 5.649 1.00 4.41 C ATOM 500 O HIS A 33 -5.440 8.409 6.615 1.00 43.14 O ATOM 501 CB HIS A 33 -5.759 8.865 3.364 1.00 31.32 C ATOM 502 CG HIS A 33 -6.986 8.068 3.698 1.00 1.40 C ATOM 503 ND1 HIS A 33 -8.192 8.638 4.043 1.00 14.32 N ATOM 504 CD2 HIS A 33 -7.186 6.730 3.717 1.00 63.12 C ATOM 505 CE1 HIS A 33 -9.080 7.684 4.261 1.00 20.20 C ATOM 506 NE2 HIS A 33 -8.494 6.518 4.068 1.00 61.24 N ATOM 0 H HIS A 33 -3.485 9.953 3.296 1.00 14.01 H new ATOM 0 HA HIS A 33 -5.865 10.279 4.969 1.00 45.31 H new ATOM 0 HB2 HIS A 33 -6.016 9.598 2.599 1.00 31.32 H new ATOM 0 HB3 HIS A 33 -5.016 8.197 2.928 1.00 31.32 H new ATOM 0 HD2 HIS A 33 -6.451 5.970 3.496 1.00 63.12 H new ATOM 0 HE1 HIS A 33 -10.110 7.833 4.548 1.00 20.20 H new ATOM 0 HE2 HIS A 33 -8.942 5.607 4.164 1.00 61.24 H new ATOM 515 N TYR A 34 -3.537 8.021 5.484 1.00 70.22 N ATOM 516 CA TYR A 34 -2.965 7.122 6.487 1.00 71.44 C ATOM 517 C TYR A 34 -1.447 7.114 6.379 1.00 73.03 C ATOM 518 O TYR A 34 -0.898 7.175 5.277 1.00 50.11 O ATOM 519 CB TYR A 34 -3.483 5.685 6.330 1.00 41.13 C ATOM 520 CG TYR A 34 -4.822 5.411 6.985 1.00 11.14 C ATOM 521 CD1 TYR A 34 -4.995 5.583 8.355 1.00 72.02 C ATOM 522 CD2 TYR A 34 -5.908 4.972 6.238 1.00 11.12 C ATOM 523 CE1 TYR A 34 -6.212 5.329 8.957 1.00 33.51 C ATOM 524 CE2 TYR A 34 -7.128 4.715 6.834 1.00 62.32 C ATOM 525 CZ TYR A 34 -7.274 4.895 8.193 1.00 61.10 C ATOM 526 OH TYR A 34 -8.488 4.643 8.790 1.00 24.52 O ATOM 0 H TYR A 34 -2.954 8.146 4.657 1.00 70.22 H new ATOM 0 HA TYR A 34 -3.272 7.494 7.465 1.00 71.44 H new ATOM 0 HB2 TYR A 34 -3.562 5.458 5.267 1.00 41.13 H new ATOM 0 HB3 TYR A 34 -2.744 5.001 6.748 1.00 41.13 H new ATOM 0 HD1 TYR A 34 -4.164 5.920 8.957 1.00 72.02 H new ATOM 0 HD2 TYR A 34 -5.797 4.829 5.173 1.00 11.12 H new ATOM 0 HE1 TYR A 34 -6.331 5.470 10.021 1.00 33.51 H new ATOM 0 HE2 TYR A 34 -7.962 4.375 6.239 1.00 62.32 H new ATOM 0 HH TYR A 34 -9.130 4.346 8.112 1.00 24.52 H new ATOM 536 N GLU A 35 -0.778 7.034 7.519 1.00 55.23 N ATOM 537 CA GLU A 35 0.675 6.960 7.556 1.00 74.14 C ATOM 538 C GLU A 35 1.126 6.088 8.719 1.00 41.23 C ATOM 539 O GLU A 35 0.536 6.139 9.801 1.00 13.11 O ATOM 540 CB GLU A 35 1.290 8.361 7.687 1.00 51.51 C ATOM 541 CG GLU A 35 0.798 9.132 8.903 1.00 22.35 C ATOM 542 CD GLU A 35 1.581 10.404 9.153 1.00 51.41 C ATOM 543 OE1 GLU A 35 1.355 11.402 8.438 1.00 71.22 O ATOM 544 OE2 GLU A 35 2.420 10.415 10.078 1.00 74.25 O ATOM 0 H GLU A 35 -1.222 7.019 8.437 1.00 55.23 H new ATOM 0 HA GLU A 35 1.017 6.517 6.621 1.00 74.14 H new ATOM 0 HB2 GLU A 35 2.375 8.269 7.740 1.00 51.51 H new ATOM 0 HB3 GLU A 35 1.063 8.934 6.788 1.00 51.51 H new ATOM 0 HG2 GLU A 35 -0.255 9.380 8.767 1.00 22.35 H new ATOM 0 HG3 GLU A 35 0.864 8.492 9.783 1.00 22.35 H new ATOM 551 N ASP A 36 2.146 5.272 8.490 1.00 63.22 N ATOM 552 CA ASP A 36 2.729 4.456 9.551 1.00 54.43 C ATOM 553 C ASP A 36 4.055 3.881 9.081 1.00 33.11 C ATOM 554 O ASP A 36 4.220 3.583 7.895 1.00 1.31 O ATOM 555 CB ASP A 36 1.781 3.320 9.955 1.00 11.41 C ATOM 556 CG ASP A 36 2.092 2.770 11.335 1.00 75.33 C ATOM 557 OD1 ASP A 36 2.956 1.879 11.450 1.00 71.54 O ATOM 558 OD2 ASP A 36 1.466 3.232 12.317 1.00 1.43 O ATOM 0 H ASP A 36 2.589 5.156 7.578 1.00 63.22 H new ATOM 0 HA ASP A 36 2.893 5.089 10.423 1.00 54.43 H new ATOM 0 HB2 ASP A 36 0.754 3.683 9.935 1.00 11.41 H new ATOM 0 HB3 ASP A 36 1.849 2.516 9.222 1.00 11.41 H new ATOM 563 N ALA A 37 4.997 3.733 10.000 1.00 43.02 N ATOM 564 CA ALA A 37 6.331 3.259 9.661 1.00 4.13 C ATOM 565 C ALA A 37 6.873 2.335 10.740 1.00 52.21 C ATOM 566 O ALA A 37 6.770 2.636 11.930 1.00 22.52 O ATOM 567 CB ALA A 37 7.268 4.441 9.466 1.00 44.14 C ATOM 0 H ALA A 37 4.862 3.935 10.991 1.00 43.02 H new ATOM 0 HA ALA A 37 6.267 2.694 8.731 1.00 4.13 H new ATOM 0 HB1 ALA A 37 8.264 4.078 9.213 1.00 44.14 H new ATOM 0 HB2 ALA A 37 6.895 5.071 8.659 1.00 44.14 H new ATOM 0 HB3 ALA A 37 7.317 5.022 10.387 1.00 44.14 H new ATOM 573 N ASP A 38 7.455 1.218 10.324 1.00 12.41 N ATOM 574 CA ASP A 38 8.047 0.269 11.257 1.00 23.34 C ATOM 575 C ASP A 38 9.381 -0.232 10.702 1.00 53.15 C ATOM 576 O ASP A 38 9.759 0.103 9.575 1.00 4.31 O ATOM 577 CB ASP A 38 7.097 -0.905 11.512 1.00 54.44 C ATOM 578 CG ASP A 38 7.245 -1.482 12.910 1.00 53.42 C ATOM 579 OD1 ASP A 38 8.371 -1.866 13.294 1.00 55.23 O ATOM 580 OD2 ASP A 38 6.235 -1.538 13.645 1.00 31.23 O ATOM 0 H ASP A 38 7.530 0.947 9.344 1.00 12.41 H new ATOM 0 HA ASP A 38 8.222 0.772 12.208 1.00 23.34 H new ATOM 0 HB2 ASP A 38 6.069 -0.574 11.366 1.00 54.44 H new ATOM 0 HB3 ASP A 38 7.287 -1.688 10.778 1.00 54.44 H new ATOM 585 N VAL A 39 10.093 -1.026 11.485 1.00 24.24 N ATOM 586 CA VAL A 39 11.414 -1.484 11.117 1.00 24.32 C ATOM 587 C VAL A 39 11.531 -2.998 11.251 1.00 54.51 C ATOM 588 O VAL A 39 10.655 -3.649 11.820 1.00 34.21 O ATOM 589 CB VAL A 39 12.486 -0.818 12.002 1.00 11.45 C ATOM 590 CG1 VAL A 39 12.582 0.669 11.708 1.00 20.35 C ATOM 591 CG2 VAL A 39 12.192 -1.052 13.478 1.00 62.52 C ATOM 0 H VAL A 39 9.769 -1.368 12.390 1.00 24.24 H new ATOM 0 HA VAL A 39 11.575 -1.206 10.075 1.00 24.32 H new ATOM 0 HB VAL A 39 13.447 -1.276 11.768 1.00 11.45 H new ATOM 0 HG11 VAL A 39 13.345 1.117 12.345 1.00 20.35 H new ATOM 0 HG12 VAL A 39 12.850 0.816 10.662 1.00 20.35 H new ATOM 0 HG13 VAL A 39 11.620 1.142 11.906 1.00 20.35 H new ATOM 0 HG21 VAL A 39 12.962 -0.573 14.083 1.00 62.52 H new ATOM 0 HG22 VAL A 39 11.219 -0.628 13.727 1.00 62.52 H new ATOM 0 HG23 VAL A 39 12.184 -2.123 13.682 1.00 62.52 H new ATOM 601 N GLY A 40 12.613 -3.549 10.715 1.00 33.23 N ATOM 602 CA GLY A 40 12.881 -4.965 10.865 1.00 53.13 C ATOM 603 C GLY A 40 12.073 -5.825 9.916 1.00 53.44 C ATOM 604 O GLY A 40 10.845 -5.781 9.914 1.00 1.30 O ATOM 0 H GLY A 40 13.312 -3.037 10.177 1.00 33.23 H new ATOM 0 HA2 GLY A 40 13.942 -5.148 10.698 1.00 53.13 H new ATOM 0 HA3 GLY A 40 12.664 -5.263 11.891 1.00 53.13 H new ATOM 608 N LYS A 41 12.766 -6.606 9.106 1.00 71.33 N ATOM 609 CA LYS A 41 12.113 -7.534 8.201 1.00 51.54 C ATOM 610 C LYS A 41 12.392 -8.957 8.649 1.00 44.53 C ATOM 611 O LYS A 41 13.374 -9.575 8.240 1.00 25.11 O ATOM 612 CB LYS A 41 12.575 -7.306 6.758 1.00 23.31 C ATOM 613 CG LYS A 41 12.048 -6.008 6.158 1.00 15.20 C ATOM 614 CD LYS A 41 12.775 -5.630 4.873 1.00 4.11 C ATOM 615 CE LYS A 41 12.612 -6.678 3.784 1.00 62.13 C ATOM 616 NZ LYS A 41 13.298 -6.275 2.528 1.00 22.00 N ATOM 0 H LYS A 41 13.785 -6.615 9.057 1.00 71.33 H new ATOM 0 HA LYS A 41 11.037 -7.362 8.228 1.00 51.54 H new ATOM 0 HB2 LYS A 41 13.665 -7.296 6.729 1.00 23.31 H new ATOM 0 HB3 LYS A 41 12.247 -8.143 6.142 1.00 23.31 H new ATOM 0 HG2 LYS A 41 10.982 -6.111 5.954 1.00 15.20 H new ATOM 0 HG3 LYS A 41 12.157 -5.203 6.885 1.00 15.20 H new ATOM 0 HD2 LYS A 41 12.396 -4.674 4.512 1.00 4.11 H new ATOM 0 HD3 LYS A 41 13.835 -5.493 5.086 1.00 4.11 H new ATOM 0 HE2 LYS A 41 13.016 -7.629 4.131 1.00 62.13 H new ATOM 0 HE3 LYS A 41 11.552 -6.835 3.586 1.00 62.13 H new ATOM 0 HZ1 LYS A 41 13.166 -7.013 1.808 1.00 22.00 H new ATOM 0 HZ2 LYS A 41 12.895 -5.380 2.184 1.00 22.00 H new ATOM 0 HZ3 LYS A 41 14.314 -6.149 2.712 1.00 22.00 H new ATOM 630 N ASN A 42 11.542 -9.447 9.535 1.00 64.01 N ATOM 631 CA ASN A 42 11.700 -10.774 10.112 1.00 45.32 C ATOM 632 C ASN A 42 10.424 -11.576 9.934 1.00 33.43 C ATOM 633 O ASN A 42 9.341 -11.001 9.841 1.00 1.02 O ATOM 634 CB ASN A 42 12.035 -10.681 11.607 1.00 21.25 C ATOM 635 CG ASN A 42 13.370 -10.016 11.879 1.00 3.24 C ATOM 636 OD1 ASN A 42 14.413 -10.667 11.848 1.00 4.34 O ATOM 637 ND2 ASN A 42 13.348 -8.724 12.173 1.00 2.42 N ATOM 0 H ASN A 42 10.725 -8.939 9.875 1.00 64.01 H new ATOM 0 HA ASN A 42 12.520 -11.272 9.595 1.00 45.32 H new ATOM 0 HB2 ASN A 42 11.248 -10.123 12.115 1.00 21.25 H new ATOM 0 HB3 ASN A 42 12.042 -11.684 12.034 1.00 21.25 H new ATOM 0 HD21 ASN A 42 14.217 -8.234 12.384 1.00 2.42 H new ATOM 0 HD22 ASN A 42 12.462 -8.219 12.188 1.00 2.42 H new ATOM 644 N PRO A 43 10.528 -12.915 9.891 1.00 32.43 N ATOM 645 CA PRO A 43 9.360 -13.793 9.769 1.00 50.04 C ATOM 646 C PRO A 43 8.391 -13.627 10.938 1.00 1.44 C ATOM 647 O PRO A 43 7.191 -13.852 10.800 1.00 21.33 O ATOM 648 CB PRO A 43 9.959 -15.207 9.761 1.00 13.22 C ATOM 649 CG PRO A 43 11.333 -15.055 10.319 1.00 33.21 C ATOM 650 CD PRO A 43 11.787 -13.678 9.932 1.00 4.24 C ATOM 0 HA PRO A 43 8.776 -13.567 8.877 1.00 50.04 H new ATOM 0 HB2 PRO A 43 9.362 -15.890 10.365 1.00 13.22 H new ATOM 0 HB3 PRO A 43 9.988 -15.616 8.751 1.00 13.22 H new ATOM 0 HG2 PRO A 43 11.329 -15.174 11.402 1.00 33.21 H new ATOM 0 HG3 PRO A 43 12.004 -15.814 9.917 1.00 33.21 H new ATOM 0 HD2 PRO A 43 12.486 -13.264 10.658 1.00 4.24 H new ATOM 0 HD3 PRO A 43 12.292 -13.676 8.966 1.00 4.24 H new ATOM 658 N ALA A 44 8.920 -13.213 12.085 1.00 32.20 N ATOM 659 CA ALA A 44 8.104 -12.985 13.273 1.00 72.44 C ATOM 660 C ALA A 44 7.215 -11.755 13.102 1.00 71.32 C ATOM 661 O ALA A 44 6.147 -11.659 13.706 1.00 2.43 O ATOM 662 CB ALA A 44 8.991 -12.826 14.498 1.00 43.52 C ATOM 0 H ALA A 44 9.914 -13.028 12.217 1.00 32.20 H new ATOM 0 HA ALA A 44 7.459 -13.853 13.412 1.00 72.44 H new ATOM 0 HB1 ALA A 44 8.370 -12.656 15.377 1.00 43.52 H new ATOM 0 HB2 ALA A 44 9.581 -13.731 14.640 1.00 43.52 H new ATOM 0 HB3 ALA A 44 9.659 -11.976 14.356 1.00 43.52 H new ATOM 668 N ALA A 45 7.644 -10.832 12.250 1.00 14.42 N ATOM 669 CA ALA A 45 6.919 -9.585 12.040 1.00 22.34 C ATOM 670 C ALA A 45 5.740 -9.790 11.094 1.00 54.33 C ATOM 671 O ALA A 45 5.047 -8.843 10.738 1.00 23.31 O ATOM 672 CB ALA A 45 7.860 -8.514 11.501 1.00 71.44 C ATOM 0 H ALA A 45 8.493 -10.924 11.692 1.00 14.42 H new ATOM 0 HA ALA A 45 6.524 -9.253 13.000 1.00 22.34 H new ATOM 0 HB1 ALA A 45 7.307 -7.587 11.348 1.00 71.44 H new ATOM 0 HB2 ALA A 45 8.664 -8.343 12.216 1.00 71.44 H new ATOM 0 HB3 ALA A 45 8.283 -8.845 10.552 1.00 71.44 H new ATOM 678 N ALA A 46 5.516 -11.032 10.694 1.00 2.41 N ATOM 679 CA ALA A 46 4.403 -11.352 9.819 1.00 14.23 C ATOM 680 C ALA A 46 3.103 -11.464 10.612 1.00 61.21 C ATOM 681 O ALA A 46 2.035 -11.086 10.130 1.00 53.23 O ATOM 682 CB ALA A 46 4.682 -12.638 9.058 1.00 25.24 C ATOM 0 H ALA A 46 6.090 -11.832 10.961 1.00 2.41 H new ATOM 0 HA ALA A 46 4.288 -10.542 9.099 1.00 14.23 H new ATOM 0 HB1 ALA A 46 3.839 -12.865 8.406 1.00 25.24 H new ATOM 0 HB2 ALA A 46 5.583 -12.517 8.457 1.00 25.24 H new ATOM 0 HB3 ALA A 46 4.825 -13.455 9.765 1.00 25.24 H new ATOM 688 N THR A 47 3.194 -11.974 11.833 1.00 61.40 N ATOM 689 CA THR A 47 2.015 -12.144 12.668 1.00 71.01 C ATOM 690 C THR A 47 1.763 -10.902 13.522 1.00 32.12 C ATOM 691 O THR A 47 0.619 -10.514 13.755 1.00 71.12 O ATOM 692 CB THR A 47 2.159 -13.373 13.585 1.00 50.42 C ATOM 693 OG1 THR A 47 2.561 -14.512 12.811 1.00 43.45 O ATOM 694 CG2 THR A 47 0.849 -13.679 14.293 1.00 12.54 C ATOM 0 H THR A 47 4.068 -12.275 12.265 1.00 61.40 H new ATOM 0 HA THR A 47 1.166 -12.295 12.001 1.00 71.01 H new ATOM 0 HB THR A 47 2.917 -13.151 14.336 1.00 50.42 H new ATOM 0 HG1 THR A 47 2.653 -15.291 13.399 1.00 43.45 H new ATOM 0 HG21 THR A 47 0.977 -14.551 14.934 1.00 12.54 H new ATOM 0 HG22 THR A 47 0.555 -12.823 14.900 1.00 12.54 H new ATOM 0 HG23 THR A 47 0.075 -13.883 13.553 1.00 12.54 H new ATOM 702 N MET A 48 2.838 -10.262 13.957 1.00 52.34 N ATOM 703 CA MET A 48 2.733 -9.125 14.857 1.00 21.33 C ATOM 704 C MET A 48 3.296 -7.861 14.218 1.00 43.42 C ATOM 705 O MET A 48 4.435 -7.469 14.466 1.00 72.25 O ATOM 706 CB MET A 48 3.437 -9.421 16.188 1.00 12.33 C ATOM 707 CG MET A 48 4.845 -9.985 16.040 1.00 74.24 C ATOM 708 SD MET A 48 5.661 -10.248 17.626 1.00 64.32 S ATOM 709 CE MET A 48 5.820 -8.561 18.204 1.00 62.22 C ATOM 0 H MET A 48 3.793 -10.511 13.701 1.00 52.34 H new ATOM 0 HA MET A 48 1.675 -8.954 15.058 1.00 21.33 H new ATOM 0 HB2 MET A 48 3.486 -8.502 16.772 1.00 12.33 H new ATOM 0 HB3 MET A 48 2.833 -10.128 16.756 1.00 12.33 H new ATOM 0 HG2 MET A 48 4.798 -10.930 15.499 1.00 74.24 H new ATOM 0 HG3 MET A 48 5.444 -9.302 15.437 1.00 74.24 H new ATOM 0 HE1 MET A 48 6.606 -8.507 18.957 1.00 62.22 H new ATOM 0 HE2 MET A 48 6.074 -7.912 17.366 1.00 62.22 H new ATOM 0 HE3 MET A 48 4.876 -8.236 18.641 1.00 62.22 H new ATOM 719 N ARG A 49 2.496 -7.242 13.370 1.00 65.44 N ATOM 720 CA ARG A 49 2.871 -5.980 12.748 1.00 53.15 C ATOM 721 C ARG A 49 1.736 -4.966 12.840 1.00 35.41 C ATOM 722 O ARG A 49 1.971 -3.763 12.773 1.00 1.23 O ATOM 723 CB ARG A 49 3.289 -6.198 11.288 1.00 10.13 C ATOM 724 CG ARG A 49 2.316 -7.046 10.484 1.00 51.31 C ATOM 725 CD ARG A 49 2.855 -7.334 9.092 1.00 73.00 C ATOM 726 NE ARG A 49 2.069 -8.356 8.402 1.00 43.53 N ATOM 727 CZ ARG A 49 2.569 -9.202 7.502 1.00 61.24 C ATOM 728 NH1 ARG A 49 3.856 -9.149 7.176 1.00 5.32 N ATOM 729 NH2 ARG A 49 1.781 -10.111 6.942 1.00 34.40 N ATOM 0 H ARG A 49 1.579 -7.592 13.094 1.00 65.44 H new ATOM 0 HA ARG A 49 3.726 -5.577 13.292 1.00 53.15 H new ATOM 0 HB2 ARG A 49 3.395 -5.228 10.803 1.00 10.13 H new ATOM 0 HB3 ARG A 49 4.270 -6.673 11.269 1.00 10.13 H new ATOM 0 HG2 ARG A 49 2.131 -7.985 11.006 1.00 51.31 H new ATOM 0 HG3 ARG A 49 1.359 -6.530 10.406 1.00 51.31 H new ATOM 0 HD2 ARG A 49 2.852 -6.416 8.505 1.00 73.00 H new ATOM 0 HD3 ARG A 49 3.892 -7.662 9.165 1.00 73.00 H new ATOM 0 HE ARG A 49 1.076 -8.426 8.623 1.00 43.53 H new ATOM 0 HH11 ARG A 49 4.465 -8.459 7.615 1.00 5.32 H new ATOM 0 HH12 ARG A 49 4.235 -9.798 6.487 1.00 5.32 H new ATOM 0 HH21 ARG A 49 0.796 -10.161 7.201 1.00 34.40 H new ATOM 0 HH22 ARG A 49 2.161 -10.760 6.253 1.00 34.40 H new ATOM 743 N ASN A 50 0.503 -5.472 12.971 1.00 53.30 N ATOM 744 CA ASN A 50 -0.701 -4.644 13.175 1.00 13.24 C ATOM 745 C ASN A 50 -1.113 -3.902 11.899 1.00 71.04 C ATOM 746 O ASN A 50 -2.300 -3.667 11.672 1.00 74.24 O ATOM 747 CB ASN A 50 -0.509 -3.645 14.329 1.00 12.11 C ATOM 748 CG ASN A 50 -0.232 -4.324 15.662 1.00 43.23 C ATOM 749 OD1 ASN A 50 -0.662 -5.454 15.904 1.00 72.15 O ATOM 750 ND2 ASN A 50 0.487 -3.636 16.535 1.00 61.45 N ATOM 0 H ASN A 50 0.308 -6.473 12.939 1.00 53.30 H new ATOM 0 HA ASN A 50 -1.506 -5.330 13.439 1.00 13.24 H new ATOM 0 HB2 ASN A 50 0.317 -2.976 14.089 1.00 12.11 H new ATOM 0 HB3 ASN A 50 -1.403 -3.028 14.421 1.00 12.11 H new ATOM 0 HD21 ASN A 50 0.704 -4.038 17.447 1.00 61.45 H new ATOM 0 HD22 ASN A 50 0.824 -2.704 16.296 1.00 61.45 H new ATOM 757 N VAL A 51 -0.126 -3.565 11.067 1.00 12.41 N ATOM 758 CA VAL A 51 -0.335 -2.871 9.789 1.00 63.34 C ATOM 759 C VAL A 51 -1.404 -3.556 8.932 1.00 42.20 C ATOM 760 O VAL A 51 -2.053 -2.916 8.102 1.00 73.14 O ATOM 761 CB VAL A 51 0.988 -2.775 8.989 1.00 65.54 C ATOM 762 CG1 VAL A 51 0.798 -1.978 7.706 1.00 70.20 C ATOM 763 CG2 VAL A 51 2.078 -2.152 9.843 1.00 43.12 C ATOM 0 H VAL A 51 0.855 -3.768 11.262 1.00 12.41 H new ATOM 0 HA VAL A 51 -0.684 -1.867 10.030 1.00 63.34 H new ATOM 0 HB VAL A 51 1.291 -3.786 8.715 1.00 65.54 H new ATOM 0 HG11 VAL A 51 1.743 -1.928 7.166 1.00 70.20 H new ATOM 0 HG12 VAL A 51 0.049 -2.466 7.082 1.00 70.20 H new ATOM 0 HG13 VAL A 51 0.465 -0.969 7.950 1.00 70.20 H new ATOM 0 HG21 VAL A 51 3.001 -2.091 9.267 1.00 43.12 H new ATOM 0 HG22 VAL A 51 1.774 -1.151 10.148 1.00 43.12 H new ATOM 0 HG23 VAL A 51 2.242 -2.766 10.728 1.00 43.12 H new ATOM 773 N ALA A 52 -1.563 -4.864 9.123 1.00 50.10 N ATOM 774 CA ALA A 52 -2.547 -5.652 8.379 1.00 14.32 C ATOM 775 C ALA A 52 -3.942 -5.020 8.413 1.00 72.42 C ATOM 776 O ALA A 52 -4.714 -5.162 7.465 1.00 55.25 O ATOM 777 CB ALA A 52 -2.600 -7.072 8.919 1.00 2.12 C ATOM 0 H ALA A 52 -1.018 -5.406 9.793 1.00 50.10 H new ATOM 0 HA ALA A 52 -2.226 -5.672 7.338 1.00 14.32 H new ATOM 0 HB1 ALA A 52 -3.336 -7.648 8.357 1.00 2.12 H new ATOM 0 HB2 ALA A 52 -1.620 -7.537 8.816 1.00 2.12 H new ATOM 0 HB3 ALA A 52 -2.883 -7.051 9.971 1.00 2.12 H new ATOM 783 N GLY A 53 -4.254 -4.314 9.492 1.00 71.41 N ATOM 784 CA GLY A 53 -5.545 -3.662 9.606 1.00 23.24 C ATOM 785 C GLY A 53 -5.655 -2.447 8.703 1.00 74.10 C ATOM 786 O GLY A 53 -6.722 -2.162 8.154 1.00 14.41 O ATOM 0 H GLY A 53 -3.635 -4.181 10.292 1.00 71.41 H new ATOM 0 HA2 GLY A 53 -6.332 -4.372 9.354 1.00 23.24 H new ATOM 0 HA3 GLY A 53 -5.707 -3.360 10.641 1.00 23.24 H new ATOM 790 N GLU A 54 -4.548 -1.734 8.545 1.00 22.32 N ATOM 791 CA GLU A 54 -4.504 -0.537 7.710 1.00 72.23 C ATOM 792 C GLU A 54 -4.595 -0.899 6.234 1.00 25.30 C ATOM 793 O GLU A 54 -5.342 -0.277 5.479 1.00 35.22 O ATOM 794 CB GLU A 54 -3.223 0.263 7.971 1.00 22.54 C ATOM 795 CG GLU A 54 -3.224 1.037 9.285 1.00 11.22 C ATOM 796 CD GLU A 54 -3.443 0.154 10.497 1.00 51.04 C ATOM 797 OE1 GLU A 54 -2.540 -0.629 10.839 1.00 31.52 O ATOM 798 OE2 GLU A 54 -4.527 0.249 11.117 1.00 14.31 O ATOM 0 H GLU A 54 -3.659 -1.966 8.988 1.00 22.32 H new ATOM 0 HA GLU A 54 -5.363 0.080 7.972 1.00 72.23 H new ATOM 0 HB2 GLU A 54 -2.374 -0.421 7.966 1.00 22.54 H new ATOM 0 HB3 GLU A 54 -3.073 0.964 7.150 1.00 22.54 H new ATOM 0 HG2 GLU A 54 -2.274 1.561 9.392 1.00 11.22 H new ATOM 0 HG3 GLU A 54 -4.005 1.797 9.251 1.00 11.22 H new ATOM 805 N ILE A 55 -3.843 -1.913 5.827 1.00 20.44 N ATOM 806 CA ILE A 55 -3.840 -2.339 4.438 1.00 34.31 C ATOM 807 C ILE A 55 -5.172 -2.977 4.061 1.00 62.30 C ATOM 808 O ILE A 55 -5.620 -2.875 2.919 1.00 23.43 O ATOM 809 CB ILE A 55 -2.686 -3.315 4.137 1.00 52.42 C ATOM 810 CG1 ILE A 55 -2.714 -4.512 5.089 1.00 0.11 C ATOM 811 CG2 ILE A 55 -1.350 -2.589 4.221 1.00 55.21 C ATOM 812 CD1 ILE A 55 -1.656 -5.553 4.792 1.00 0.11 C ATOM 0 H ILE A 55 -3.230 -2.453 6.438 1.00 20.44 H new ATOM 0 HA ILE A 55 -3.690 -1.445 3.833 1.00 34.31 H new ATOM 0 HB ILE A 55 -2.814 -3.695 3.124 1.00 52.42 H new ATOM 0 HG12 ILE A 55 -2.583 -4.155 6.111 1.00 0.11 H new ATOM 0 HG13 ILE A 55 -3.697 -4.981 5.039 1.00 0.11 H new ATOM 0 HG21 ILE A 55 -0.542 -3.288 4.007 1.00 55.21 H new ATOM 0 HG22 ILE A 55 -1.330 -1.778 3.493 1.00 55.21 H new ATOM 0 HG23 ILE A 55 -1.220 -2.181 5.223 1.00 55.21 H new ATOM 0 HD11 ILE A 55 -1.739 -6.370 5.508 1.00 0.11 H new ATOM 0 HD12 ILE A 55 -1.799 -5.939 3.783 1.00 0.11 H new ATOM 0 HD13 ILE A 55 -0.668 -5.100 4.871 1.00 0.11 H new ATOM 824 N ALA A 56 -5.809 -3.620 5.028 1.00 1.04 N ATOM 825 CA ALA A 56 -7.134 -4.189 4.820 1.00 75.55 C ATOM 826 C ALA A 56 -8.153 -3.082 4.581 1.00 23.23 C ATOM 827 O ALA A 56 -9.032 -3.208 3.729 1.00 10.40 O ATOM 828 CB ALA A 56 -7.543 -5.043 6.009 1.00 71.35 C ATOM 0 H ALA A 56 -5.431 -3.761 5.965 1.00 1.04 H new ATOM 0 HA ALA A 56 -7.101 -4.827 3.937 1.00 75.55 H new ATOM 0 HB1 ALA A 56 -8.535 -5.459 5.834 1.00 71.35 H new ATOM 0 HB2 ALA A 56 -6.827 -5.855 6.137 1.00 71.35 H new ATOM 0 HB3 ALA A 56 -7.560 -4.429 6.909 1.00 71.35 H new ATOM 834 N ALA A 57 -8.010 -1.986 5.322 1.00 43.20 N ATOM 835 CA ALA A 57 -8.899 -0.837 5.173 1.00 43.02 C ATOM 836 C ALA A 57 -8.768 -0.235 3.780 1.00 1.35 C ATOM 837 O ALA A 57 -9.736 0.283 3.220 1.00 40.52 O ATOM 838 CB ALA A 57 -8.596 0.211 6.234 1.00 62.20 C ATOM 0 H ALA A 57 -7.287 -1.869 6.032 1.00 43.20 H new ATOM 0 HA ALA A 57 -9.926 -1.178 5.305 1.00 43.02 H new ATOM 0 HB1 ALA A 57 -9.267 1.060 6.109 1.00 62.20 H new ATOM 0 HB2 ALA A 57 -8.739 -0.222 7.224 1.00 62.20 H new ATOM 0 HB3 ALA A 57 -7.564 0.546 6.130 1.00 62.20 H new ATOM 844 N ALA A 58 -7.565 -0.316 3.222 1.00 61.42 N ATOM 845 CA ALA A 58 -7.317 0.156 1.870 1.00 43.23 C ATOM 846 C ALA A 58 -8.073 -0.701 0.857 1.00 51.30 C ATOM 847 O ALA A 58 -8.582 -0.192 -0.139 1.00 35.13 O ATOM 848 CB ALA A 58 -5.825 0.147 1.568 1.00 63.44 C ATOM 0 H ALA A 58 -6.746 -0.706 3.689 1.00 61.42 H new ATOM 0 HA ALA A 58 -7.678 1.181 1.791 1.00 43.23 H new ATOM 0 HB1 ALA A 58 -5.657 0.503 0.552 1.00 63.44 H new ATOM 0 HB2 ALA A 58 -5.307 0.799 2.271 1.00 63.44 H new ATOM 0 HB3 ALA A 58 -5.440 -0.868 1.665 1.00 63.44 H new ATOM 854 N LEU A 59 -8.155 -2.000 1.131 1.00 45.35 N ATOM 855 CA LEU A 59 -8.875 -2.929 0.264 1.00 71.33 C ATOM 856 C LEU A 59 -10.365 -2.589 0.238 1.00 13.24 C ATOM 857 O LEU A 59 -10.991 -2.579 -0.824 1.00 32.12 O ATOM 858 CB LEU A 59 -8.670 -4.370 0.742 1.00 13.11 C ATOM 859 CG LEU A 59 -9.326 -5.449 -0.124 1.00 44.22 C ATOM 860 CD1 LEU A 59 -8.742 -5.441 -1.531 1.00 42.55 C ATOM 861 CD2 LEU A 59 -9.154 -6.818 0.516 1.00 10.54 C ATOM 0 H LEU A 59 -7.730 -2.435 1.950 1.00 45.35 H new ATOM 0 HA LEU A 59 -8.479 -2.836 -0.747 1.00 71.33 H new ATOM 0 HB2 LEU A 59 -7.600 -4.569 0.792 1.00 13.11 H new ATOM 0 HB3 LEU A 59 -9.058 -4.457 1.757 1.00 13.11 H new ATOM 0 HG LEU A 59 -10.391 -5.230 -0.196 1.00 44.22 H new ATOM 0 HD11 LEU A 59 -9.223 -6.215 -2.129 1.00 42.55 H new ATOM 0 HD12 LEU A 59 -8.915 -4.468 -1.991 1.00 42.55 H new ATOM 0 HD13 LEU A 59 -7.670 -5.634 -1.481 1.00 42.55 H new ATOM 0 HD21 LEU A 59 -9.626 -7.575 -0.111 1.00 10.54 H new ATOM 0 HD22 LEU A 59 -8.092 -7.041 0.618 1.00 10.54 H new ATOM 0 HD23 LEU A 59 -9.621 -6.821 1.501 1.00 10.54 H new ATOM 873 N TYR A 60 -10.923 -2.293 1.407 1.00 33.40 N ATOM 874 CA TYR A 60 -12.328 -1.904 1.506 1.00 43.51 C ATOM 875 C TYR A 60 -12.567 -0.583 0.779 1.00 0.20 C ATOM 876 O TYR A 60 -13.624 -0.373 0.181 1.00 72.54 O ATOM 877 CB TYR A 60 -12.763 -1.793 2.972 1.00 21.34 C ATOM 878 CG TYR A 60 -12.765 -3.118 3.707 1.00 71.04 C ATOM 879 CD1 TYR A 60 -13.684 -4.108 3.386 1.00 10.13 C ATOM 880 CD2 TYR A 60 -11.848 -3.381 4.717 1.00 0.34 C ATOM 881 CE1 TYR A 60 -13.687 -5.321 4.046 1.00 15.53 C ATOM 882 CE2 TYR A 60 -11.846 -4.593 5.383 1.00 54.34 C ATOM 883 CZ TYR A 60 -12.768 -5.561 5.042 1.00 41.44 C ATOM 884 OH TYR A 60 -12.762 -6.777 5.694 1.00 61.40 O ATOM 0 H TYR A 60 -10.427 -2.314 2.298 1.00 33.40 H new ATOM 0 HA TYR A 60 -12.929 -2.679 1.030 1.00 43.51 H new ATOM 0 HB2 TYR A 60 -12.097 -1.102 3.488 1.00 21.34 H new ATOM 0 HB3 TYR A 60 -13.764 -1.363 3.014 1.00 21.34 H new ATOM 0 HD1 TYR A 60 -14.409 -3.926 2.607 1.00 10.13 H new ATOM 0 HD2 TYR A 60 -11.124 -2.626 4.987 1.00 0.34 H new ATOM 0 HE1 TYR A 60 -14.409 -6.080 3.781 1.00 15.53 H new ATOM 0 HE2 TYR A 60 -11.126 -4.781 6.166 1.00 54.34 H new ATOM 0 HH TYR A 60 -12.051 -6.783 6.368 1.00 61.40 H new ATOM 894 N ALA A 61 -11.569 0.294 0.814 1.00 11.23 N ATOM 895 CA ALA A 61 -11.640 1.563 0.100 1.00 63.51 C ATOM 896 C ALA A 61 -11.674 1.333 -1.409 1.00 41.34 C ATOM 897 O ALA A 61 -12.369 2.041 -2.133 1.00 64.52 O ATOM 898 CB ALA A 61 -10.466 2.452 0.479 1.00 52.23 C ATOM 0 H ALA A 61 -10.701 0.149 1.330 1.00 11.23 H new ATOM 0 HA ALA A 61 -12.562 2.067 0.388 1.00 63.51 H new ATOM 0 HB1 ALA A 61 -10.534 3.395 -0.063 1.00 52.23 H new ATOM 0 HB2 ALA A 61 -10.488 2.647 1.551 1.00 52.23 H new ATOM 0 HB3 ALA A 61 -9.533 1.952 0.221 1.00 52.23 H new ATOM 904 N VAL A 62 -10.927 0.331 -1.871 1.00 21.43 N ATOM 905 CA VAL A 62 -10.927 -0.054 -3.282 1.00 72.24 C ATOM 906 C VAL A 62 -12.322 -0.505 -3.710 1.00 63.32 C ATOM 907 O VAL A 62 -12.784 -0.193 -4.809 1.00 34.43 O ATOM 908 CB VAL A 62 -9.914 -1.192 -3.559 1.00 71.12 C ATOM 909 CG1 VAL A 62 -9.972 -1.637 -5.014 1.00 71.54 C ATOM 910 CG2 VAL A 62 -8.504 -0.753 -3.200 1.00 23.40 C ATOM 0 H VAL A 62 -10.311 -0.232 -1.285 1.00 21.43 H new ATOM 0 HA VAL A 62 -10.631 0.822 -3.859 1.00 72.24 H new ATOM 0 HB VAL A 62 -10.187 -2.041 -2.932 1.00 71.12 H new ATOM 0 HG11 VAL A 62 -9.250 -2.437 -5.179 1.00 71.54 H new ATOM 0 HG12 VAL A 62 -10.974 -1.999 -5.244 1.00 71.54 H new ATOM 0 HG13 VAL A 62 -9.734 -0.794 -5.662 1.00 71.54 H new ATOM 0 HG21 VAL A 62 -7.807 -1.567 -3.402 1.00 23.40 H new ATOM 0 HG22 VAL A 62 -8.230 0.116 -3.798 1.00 23.40 H new ATOM 0 HG23 VAL A 62 -8.462 -0.493 -2.142 1.00 23.40 H new ATOM 920 N LYS A 63 -12.993 -1.223 -2.820 1.00 64.22 N ATOM 921 CA LYS A 63 -14.342 -1.710 -3.076 1.00 11.24 C ATOM 922 C LYS A 63 -15.314 -0.542 -3.233 1.00 4.04 C ATOM 923 O LYS A 63 -16.201 -0.561 -4.089 1.00 53.32 O ATOM 924 CB LYS A 63 -14.793 -2.627 -1.937 1.00 42.31 C ATOM 925 CG LYS A 63 -16.175 -3.221 -2.140 1.00 23.31 C ATOM 926 CD LYS A 63 -16.559 -4.133 -0.993 1.00 73.11 C ATOM 927 CE LYS A 63 -17.919 -4.770 -1.231 1.00 0.24 C ATOM 928 NZ LYS A 63 -18.306 -5.695 -0.136 1.00 72.21 N ATOM 0 H LYS A 63 -12.621 -1.483 -1.906 1.00 64.22 H new ATOM 0 HA LYS A 63 -14.336 -2.279 -4.006 1.00 11.24 H new ATOM 0 HB2 LYS A 63 -14.072 -3.437 -1.828 1.00 42.31 H new ATOM 0 HB3 LYS A 63 -14.783 -2.064 -1.004 1.00 42.31 H new ATOM 0 HG2 LYS A 63 -16.908 -2.419 -2.230 1.00 23.31 H new ATOM 0 HG3 LYS A 63 -16.198 -3.781 -3.075 1.00 23.31 H new ATOM 0 HD2 LYS A 63 -15.805 -4.911 -0.875 1.00 73.11 H new ATOM 0 HD3 LYS A 63 -16.578 -3.565 -0.063 1.00 73.11 H new ATOM 0 HE2 LYS A 63 -18.672 -3.988 -1.327 1.00 0.24 H new ATOM 0 HE3 LYS A 63 -17.903 -5.314 -2.175 1.00 0.24 H new ATOM 0 HZ1 LYS A 63 -19.239 -6.105 -0.342 1.00 72.21 H new ATOM 0 HZ2 LYS A 63 -17.602 -6.457 -0.060 1.00 72.21 H new ATOM 0 HZ3 LYS A 63 -18.348 -5.172 0.762 1.00 72.21 H new ATOM 942 N LYS A 64 -15.140 0.476 -2.401 1.00 65.22 N ATOM 943 CA LYS A 64 -15.967 1.675 -2.474 1.00 65.03 C ATOM 944 C LYS A 64 -15.581 2.523 -3.685 1.00 3.24 C ATOM 945 O LYS A 64 -16.432 3.161 -4.308 1.00 61.12 O ATOM 946 CB LYS A 64 -15.821 2.499 -1.194 1.00 13.51 C ATOM 947 CG LYS A 64 -16.743 3.708 -1.145 1.00 55.25 C ATOM 948 CD LYS A 64 -16.492 4.561 0.087 1.00 15.32 C ATOM 949 CE LYS A 64 -17.494 5.701 0.180 1.00 74.43 C ATOM 950 NZ LYS A 64 -18.883 5.203 0.372 1.00 2.34 N ATOM 0 H LYS A 64 -14.433 0.496 -1.666 1.00 65.22 H new ATOM 0 HA LYS A 64 -17.007 1.366 -2.581 1.00 65.03 H new ATOM 0 HB2 LYS A 64 -16.025 1.861 -0.335 1.00 13.51 H new ATOM 0 HB3 LYS A 64 -14.788 2.835 -1.103 1.00 13.51 H new ATOM 0 HG2 LYS A 64 -16.598 4.312 -2.041 1.00 55.25 H new ATOM 0 HG3 LYS A 64 -17.781 3.374 -1.150 1.00 55.25 H new ATOM 0 HD2 LYS A 64 -16.558 3.941 0.981 1.00 15.32 H new ATOM 0 HD3 LYS A 64 -15.480 4.965 0.053 1.00 15.32 H new ATOM 0 HE2 LYS A 64 -17.225 6.355 1.010 1.00 74.43 H new ATOM 0 HE3 LYS A 64 -17.446 6.302 -0.728 1.00 74.43 H new ATOM 0 HZ1 LYS A 64 -19.486 5.978 0.714 1.00 2.34 H new ATOM 0 HZ2 LYS A 64 -19.254 4.850 -0.533 1.00 2.34 H new ATOM 0 HZ3 LYS A 64 -18.882 4.432 1.070 1.00 2.34 H new ATOM 964 N ALA A 65 -14.294 2.505 -4.020 1.00 60.52 N ATOM 965 CA ALA A 65 -13.747 3.297 -5.123 1.00 54.21 C ATOM 966 C ALA A 65 -14.466 3.015 -6.440 1.00 54.13 C ATOM 967 O ALA A 65 -14.523 3.878 -7.319 1.00 14.13 O ATOM 968 CB ALA A 65 -12.255 3.037 -5.267 1.00 11.32 C ATOM 0 H ALA A 65 -13.597 1.940 -3.534 1.00 60.52 H new ATOM 0 HA ALA A 65 -13.907 4.348 -4.884 1.00 54.21 H new ATOM 0 HB1 ALA A 65 -11.860 3.632 -6.091 1.00 11.32 H new ATOM 0 HB2 ALA A 65 -11.747 3.313 -4.343 1.00 11.32 H new ATOM 0 HB3 ALA A 65 -12.088 1.979 -5.471 1.00 11.32 H new ATOM 974 N SER A 66 -15.006 1.808 -6.572 1.00 53.44 N ATOM 975 CA SER A 66 -15.763 1.424 -7.758 1.00 2.50 C ATOM 976 C SER A 66 -16.921 2.397 -8.001 1.00 23.41 C ATOM 977 O SER A 66 -17.228 2.741 -9.144 1.00 72.24 O ATOM 978 CB SER A 66 -16.298 -0.004 -7.598 1.00 52.13 C ATOM 979 OG SER A 66 -16.885 -0.479 -8.799 1.00 21.04 O ATOM 0 H SER A 66 -14.933 1.074 -5.867 1.00 53.44 H new ATOM 0 HA SER A 66 -15.097 1.461 -8.620 1.00 2.50 H new ATOM 0 HB2 SER A 66 -15.485 -0.667 -7.303 1.00 52.13 H new ATOM 0 HB3 SER A 66 -17.036 -0.029 -6.797 1.00 52.13 H new ATOM 0 HG SER A 66 -17.214 -1.392 -8.663 1.00 21.04 H new ATOM 985 N GLN A 67 -17.533 2.864 -6.914 1.00 2.52 N ATOM 986 CA GLN A 67 -18.677 3.753 -6.990 1.00 31.24 C ATOM 987 C GLN A 67 -18.262 5.141 -7.470 1.00 12.24 C ATOM 988 O GLN A 67 -19.035 5.839 -8.124 1.00 1.31 O ATOM 989 CB GLN A 67 -19.337 3.860 -5.617 1.00 51.01 C ATOM 990 CG GLN A 67 -19.816 2.530 -5.051 1.00 52.13 C ATOM 991 CD GLN A 67 -20.402 2.668 -3.658 1.00 60.20 C ATOM 992 OE1 GLN A 67 -20.007 3.544 -2.887 1.00 32.44 O ATOM 993 NE2 GLN A 67 -21.348 1.803 -3.325 1.00 51.32 N ATOM 0 H GLN A 67 -17.247 2.634 -5.962 1.00 2.52 H new ATOM 0 HA GLN A 67 -19.385 3.340 -7.708 1.00 31.24 H new ATOM 0 HB2 GLN A 67 -18.628 4.305 -4.919 1.00 51.01 H new ATOM 0 HB3 GLN A 67 -20.186 4.540 -5.686 1.00 51.01 H new ATOM 0 HG2 GLN A 67 -20.567 2.105 -5.717 1.00 52.13 H new ATOM 0 HG3 GLN A 67 -18.982 1.829 -5.023 1.00 52.13 H new ATOM 0 HE21 GLN A 67 -21.647 1.092 -3.993 1.00 51.32 H new ATOM 0 HE22 GLN A 67 -21.777 1.848 -2.401 1.00 51.32 H new ATOM 1002 N LEU A 68 -17.036 5.531 -7.146 1.00 54.22 N ATOM 1003 CA LEU A 68 -16.532 6.854 -7.501 1.00 60.00 C ATOM 1004 C LEU A 68 -15.860 6.831 -8.869 1.00 62.53 C ATOM 1005 O LEU A 68 -15.642 7.877 -9.484 1.00 15.21 O ATOM 1006 CB LEU A 68 -15.533 7.363 -6.449 1.00 34.20 C ATOM 1007 CG LEU A 68 -16.125 7.792 -5.097 1.00 51.13 C ATOM 1008 CD1 LEU A 68 -16.633 6.594 -4.307 1.00 45.12 C ATOM 1009 CD2 LEU A 68 -15.091 8.563 -4.288 1.00 60.44 C ATOM 0 H LEU A 68 -16.370 4.950 -6.637 1.00 54.22 H new ATOM 0 HA LEU A 68 -17.386 7.531 -7.535 1.00 60.00 H new ATOM 0 HB2 LEU A 68 -14.799 6.578 -6.267 1.00 34.20 H new ATOM 0 HB3 LEU A 68 -14.995 8.212 -6.871 1.00 34.20 H new ATOM 0 HG LEU A 68 -16.976 8.444 -5.296 1.00 51.13 H new ATOM 0 HD11 LEU A 68 -17.045 6.933 -3.357 1.00 45.12 H new ATOM 0 HD12 LEU A 68 -17.409 6.084 -4.878 1.00 45.12 H new ATOM 0 HD13 LEU A 68 -15.809 5.905 -4.120 1.00 45.12 H new ATOM 0 HD21 LEU A 68 -15.524 8.860 -3.333 1.00 60.44 H new ATOM 0 HD22 LEU A 68 -14.222 7.930 -4.111 1.00 60.44 H new ATOM 0 HD23 LEU A 68 -14.786 9.452 -4.840 1.00 60.44 H new ATOM 1021 N GLY A 69 -15.523 5.635 -9.334 1.00 75.52 N ATOM 1022 CA GLY A 69 -14.870 5.492 -10.619 1.00 73.34 C ATOM 1023 C GLY A 69 -13.425 5.941 -10.574 1.00 10.02 C ATOM 1024 O GLY A 69 -12.974 6.700 -11.434 1.00 21.04 O ATOM 0 H GLY A 69 -15.692 4.758 -8.841 1.00 75.52 H new ATOM 0 HA2 GLY A 69 -14.916 4.450 -10.935 1.00 73.34 H new ATOM 0 HA3 GLY A 69 -15.408 6.076 -11.366 1.00 73.34 H new ATOM 1028 N VAL A 70 -12.702 5.487 -9.559 1.00 72.11 N ATOM 1029 CA VAL A 70 -11.291 5.820 -9.405 1.00 25.52 C ATOM 1030 C VAL A 70 -10.471 4.557 -9.182 1.00 50.00 C ATOM 1031 O VAL A 70 -11.027 3.485 -8.945 1.00 45.11 O ATOM 1032 CB VAL A 70 -11.048 6.799 -8.230 1.00 74.31 C ATOM 1033 CG1 VAL A 70 -11.710 8.140 -8.496 1.00 61.12 C ATOM 1034 CG2 VAL A 70 -11.545 6.207 -6.919 1.00 50.11 C ATOM 0 H VAL A 70 -13.072 4.883 -8.825 1.00 72.11 H new ATOM 0 HA VAL A 70 -10.977 6.311 -10.326 1.00 25.52 H new ATOM 0 HB VAL A 70 -9.973 6.961 -8.145 1.00 74.31 H new ATOM 0 HG11 VAL A 70 -11.525 8.810 -7.656 1.00 61.12 H new ATOM 0 HG12 VAL A 70 -11.297 8.576 -9.406 1.00 61.12 H new ATOM 0 HG13 VAL A 70 -12.784 7.998 -8.617 1.00 61.12 H new ATOM 0 HG21 VAL A 70 -11.363 6.913 -6.109 1.00 50.11 H new ATOM 0 HG22 VAL A 70 -12.614 6.006 -6.992 1.00 50.11 H new ATOM 0 HG23 VAL A 70 -11.014 5.277 -6.715 1.00 50.11 H new ATOM 1044 N LYS A 71 -9.155 4.686 -9.258 1.00 31.04 N ATOM 1045 CA LYS A 71 -8.261 3.549 -9.083 1.00 4.13 C ATOM 1046 C LYS A 71 -7.152 3.886 -8.095 1.00 42.31 C ATOM 1047 O LYS A 71 -7.039 5.029 -7.647 1.00 2.22 O ATOM 1048 CB LYS A 71 -7.634 3.142 -10.418 1.00 64.15 C ATOM 1049 CG LYS A 71 -6.893 4.273 -11.114 1.00 42.33 C ATOM 1050 CD LYS A 71 -5.899 3.750 -12.141 1.00 4.02 C ATOM 1051 CE LYS A 71 -6.550 2.791 -13.123 1.00 11.44 C ATOM 1052 NZ LYS A 71 -5.576 2.262 -14.113 1.00 41.24 N ATOM 0 H LYS A 71 -8.680 5.570 -9.440 1.00 31.04 H new ATOM 0 HA LYS A 71 -8.852 2.719 -8.695 1.00 4.13 H new ATOM 0 HB2 LYS A 71 -6.943 2.317 -10.248 1.00 64.15 H new ATOM 0 HB3 LYS A 71 -8.417 2.771 -11.079 1.00 64.15 H new ATOM 0 HG2 LYS A 71 -7.611 4.930 -11.605 1.00 42.33 H new ATOM 0 HG3 LYS A 71 -6.367 4.874 -10.372 1.00 42.33 H new ATOM 0 HD2 LYS A 71 -5.465 4.588 -12.686 1.00 4.02 H new ATOM 0 HD3 LYS A 71 -5.080 3.245 -11.629 1.00 4.02 H new ATOM 0 HE2 LYS A 71 -6.998 1.961 -12.576 1.00 11.44 H new ATOM 0 HE3 LYS A 71 -7.358 3.302 -13.647 1.00 11.44 H new ATOM 0 HZ1 LYS A 71 -6.061 1.612 -14.764 1.00 41.24 H new ATOM 0 HZ2 LYS A 71 -5.167 3.051 -14.653 1.00 41.24 H new ATOM 0 HZ3 LYS A 71 -4.818 1.752 -13.616 1.00 41.24 H new ATOM 1066 N ILE A 72 -6.346 2.888 -7.747 1.00 53.14 N ATOM 1067 CA ILE A 72 -5.168 3.117 -6.916 1.00 3.34 C ATOM 1068 C ILE A 72 -3.939 2.444 -7.531 1.00 51.34 C ATOM 1069 O ILE A 72 -4.060 1.462 -8.273 1.00 23.14 O ATOM 1070 CB ILE A 72 -5.351 2.615 -5.460 1.00 32.14 C ATOM 1071 CG1 ILE A 72 -5.293 1.090 -5.383 1.00 52.25 C ATOM 1072 CG2 ILE A 72 -6.668 3.113 -4.880 1.00 23.10 C ATOM 1073 CD1 ILE A 72 -5.172 0.565 -3.967 1.00 31.50 C ATOM 0 H ILE A 72 -6.485 1.917 -8.026 1.00 53.14 H new ATOM 0 HA ILE A 72 -5.025 4.197 -6.878 1.00 3.34 H new ATOM 0 HB ILE A 72 -4.528 3.018 -4.871 1.00 32.14 H new ATOM 0 HG12 ILE A 72 -6.191 0.676 -5.841 1.00 52.25 H new ATOM 0 HG13 ILE A 72 -4.444 0.736 -5.968 1.00 52.25 H new ATOM 0 HG21 ILE A 72 -6.776 2.749 -3.858 1.00 23.10 H new ATOM 0 HG22 ILE A 72 -6.677 4.203 -4.880 1.00 23.10 H new ATOM 0 HG23 ILE A 72 -7.495 2.744 -5.486 1.00 23.10 H new ATOM 0 HD11 ILE A 72 -5.136 -0.524 -3.985 1.00 31.50 H new ATOM 0 HD12 ILE A 72 -4.260 0.951 -3.513 1.00 31.50 H new ATOM 0 HD13 ILE A 72 -6.033 0.890 -3.384 1.00 31.50 H new ATOM 1085 N ARG A 73 -2.762 2.981 -7.227 1.00 4.54 N ATOM 1086 CA ARG A 73 -1.506 2.431 -7.734 1.00 14.31 C ATOM 1087 C ARG A 73 -0.872 1.512 -6.698 1.00 24.13 C ATOM 1088 O ARG A 73 -0.263 1.977 -5.744 1.00 61.34 O ATOM 1089 CB ARG A 73 -0.532 3.561 -8.070 1.00 24.20 C ATOM 1090 CG ARG A 73 -1.044 4.525 -9.124 1.00 11.41 C ATOM 1091 CD ARG A 73 -0.129 5.733 -9.249 1.00 34.13 C ATOM 1092 NE ARG A 73 1.238 5.358 -9.622 1.00 53.23 N ATOM 1093 CZ ARG A 73 2.327 5.744 -8.953 1.00 43.24 C ATOM 1094 NH1 ARG A 73 2.207 6.407 -7.807 1.00 40.40 N ATOM 1095 NH2 ARG A 73 3.536 5.428 -9.413 1.00 24.22 N ATOM 0 H ARG A 73 -2.650 3.800 -6.630 1.00 4.54 H new ATOM 0 HA ARG A 73 -1.723 1.859 -8.636 1.00 14.31 H new ATOM 0 HB2 ARG A 73 -0.310 4.118 -7.160 1.00 24.20 H new ATOM 0 HB3 ARG A 73 0.407 3.127 -8.415 1.00 24.20 H new ATOM 0 HG2 ARG A 73 -1.113 4.015 -10.085 1.00 11.41 H new ATOM 0 HG3 ARG A 73 -2.051 4.852 -8.864 1.00 11.41 H new ATOM 0 HD2 ARG A 73 -0.533 6.416 -9.996 1.00 34.13 H new ATOM 0 HD3 ARG A 73 -0.110 6.272 -8.302 1.00 34.13 H new ATOM 0 HE ARG A 73 1.365 4.766 -10.443 1.00 53.23 H new ATOM 0 HH11 ARG A 73 1.281 6.622 -7.437 1.00 40.40 H new ATOM 0 HH12 ARG A 73 3.041 6.701 -7.298 1.00 40.40 H new ATOM 0 HH21 ARG A 73 3.629 4.892 -10.276 1.00 24.22 H new ATOM 0 HH22 ARG A 73 4.369 5.722 -8.903 1.00 24.22 H new ATOM 1109 N ILE A 74 -1.008 0.212 -6.895 1.00 34.11 N ATOM 1110 CA ILE A 74 -0.535 -0.769 -5.927 1.00 10.31 C ATOM 1111 C ILE A 74 0.877 -1.231 -6.270 1.00 20.11 C ATOM 1112 O ILE A 74 1.223 -1.361 -7.443 1.00 2.02 O ATOM 1113 CB ILE A 74 -1.467 -2.002 -5.879 1.00 42.50 C ATOM 1114 CG1 ILE A 74 -2.927 -1.567 -5.741 1.00 62.10 C ATOM 1115 CG2 ILE A 74 -1.082 -2.919 -4.724 1.00 42.23 C ATOM 1116 CD1 ILE A 74 -3.908 -2.721 -5.744 1.00 35.12 C ATOM 0 H ILE A 74 -1.445 -0.193 -7.723 1.00 34.11 H new ATOM 0 HA ILE A 74 -0.534 -0.283 -4.951 1.00 10.31 H new ATOM 0 HB ILE A 74 -1.354 -2.551 -6.814 1.00 42.50 H new ATOM 0 HG12 ILE A 74 -3.044 -1.005 -4.814 1.00 62.10 H new ATOM 0 HG13 ILE A 74 -3.174 -0.889 -6.558 1.00 62.10 H new ATOM 0 HG21 ILE A 74 -1.749 -3.781 -4.706 1.00 42.23 H new ATOM 0 HG22 ILE A 74 -0.054 -3.258 -4.855 1.00 42.23 H new ATOM 0 HG23 ILE A 74 -1.167 -2.375 -3.783 1.00 42.23 H new ATOM 0 HD11 ILE A 74 -4.923 -2.336 -5.643 1.00 35.12 H new ATOM 0 HD12 ILE A 74 -3.820 -3.271 -6.681 1.00 35.12 H new ATOM 0 HD13 ILE A 74 -3.688 -3.388 -4.910 1.00 35.12 H new ATOM 1128 N LEU A 75 1.698 -1.439 -5.245 1.00 40.22 N ATOM 1129 CA LEU A 75 3.034 -2.008 -5.421 1.00 11.14 C ATOM 1130 C LEU A 75 2.952 -3.412 -6.024 1.00 52.45 C ATOM 1131 O LEU A 75 1.870 -3.921 -6.304 1.00 50.20 O ATOM 1132 CB LEU A 75 3.783 -2.070 -4.079 1.00 3.13 C ATOM 1133 CG LEU A 75 3.216 -3.050 -3.040 1.00 2.12 C ATOM 1134 CD1 LEU A 75 4.265 -3.367 -1.986 1.00 43.44 C ATOM 1135 CD2 LEU A 75 1.969 -2.483 -2.375 1.00 11.43 C ATOM 0 H LEU A 75 1.461 -1.221 -4.277 1.00 40.22 H new ATOM 0 HA LEU A 75 3.582 -1.359 -6.104 1.00 11.14 H new ATOM 0 HB2 LEU A 75 4.821 -2.339 -4.276 1.00 3.13 H new ATOM 0 HB3 LEU A 75 3.790 -1.071 -3.642 1.00 3.13 H new ATOM 0 HG LEU A 75 2.941 -3.968 -3.560 1.00 2.12 H new ATOM 0 HD11 LEU A 75 3.849 -4.062 -1.257 1.00 43.44 H new ATOM 0 HD12 LEU A 75 5.135 -3.818 -2.463 1.00 43.44 H new ATOM 0 HD13 LEU A 75 4.564 -2.448 -1.482 1.00 43.44 H new ATOM 0 HD21 LEU A 75 1.589 -3.197 -1.645 1.00 11.43 H new ATOM 0 HD22 LEU A 75 2.218 -1.548 -1.873 1.00 11.43 H new ATOM 0 HD23 LEU A 75 1.206 -2.297 -3.131 1.00 11.43 H new ATOM 1147 N HIS A 76 4.100 -4.044 -6.214 1.00 63.22 N ATOM 1148 CA HIS A 76 4.131 -5.375 -6.802 1.00 74.12 C ATOM 1149 C HIS A 76 3.973 -6.462 -5.749 1.00 62.21 C ATOM 1150 O HIS A 76 3.753 -6.169 -4.571 1.00 71.35 O ATOM 1151 CB HIS A 76 5.412 -5.594 -7.599 1.00 23.32 C ATOM 1152 CG HIS A 76 5.224 -5.373 -9.064 1.00 51.11 C ATOM 1153 ND1 HIS A 76 5.788 -4.324 -9.750 1.00 25.21 N ATOM 1154 CD2 HIS A 76 4.522 -6.083 -9.975 1.00 73.23 C ATOM 1155 CE1 HIS A 76 5.439 -4.396 -11.021 1.00 1.31 C ATOM 1156 NE2 HIS A 76 4.670 -5.456 -11.186 1.00 73.33 N ATOM 0 H HIS A 76 5.014 -3.662 -5.972 1.00 63.22 H new ATOM 0 HA HIS A 76 3.282 -5.442 -7.482 1.00 74.12 H new ATOM 0 HB2 HIS A 76 6.184 -4.919 -7.230 1.00 23.32 H new ATOM 0 HB3 HIS A 76 5.770 -6.610 -7.432 1.00 23.32 H new ATOM 0 HD2 HIS A 76 3.950 -6.979 -9.785 1.00 73.23 H new ATOM 0 HE1 HIS A 76 5.733 -3.704 -11.796 1.00 1.31 H new ATOM 0 HE2 HIS A 76 4.255 -5.759 -12.067 1.00 73.33 H new ATOM 1165 N ASP A 77 4.114 -7.715 -6.192 1.00 51.41 N ATOM 1166 CA ASP A 77 3.821 -8.886 -5.370 1.00 34.01 C ATOM 1167 C ASP A 77 2.339 -8.874 -4.997 1.00 54.15 C ATOM 1168 O ASP A 77 1.536 -8.277 -5.713 1.00 23.12 O ATOM 1169 CB ASP A 77 4.714 -8.933 -4.118 1.00 60.21 C ATOM 1170 CG ASP A 77 4.870 -10.343 -3.574 1.00 51.13 C ATOM 1171 OD1 ASP A 77 5.780 -11.067 -4.036 1.00 41.32 O ATOM 1172 OD2 ASP A 77 4.082 -10.741 -2.692 1.00 52.15 O ATOM 0 H ASP A 77 4.435 -7.943 -7.133 1.00 51.41 H new ATOM 0 HA ASP A 77 4.039 -9.787 -5.943 1.00 34.01 H new ATOM 0 HB2 ASP A 77 5.697 -8.528 -4.360 1.00 60.21 H new ATOM 0 HB3 ASP A 77 4.287 -8.293 -3.346 1.00 60.21 H new ATOM 1177 N TYR A 78 1.976 -9.564 -3.915 1.00 33.41 N ATOM 1178 CA TYR A 78 0.582 -9.641 -3.458 1.00 43.23 C ATOM 1179 C TYR A 78 -0.281 -10.401 -4.477 1.00 65.32 C ATOM 1180 O TYR A 78 -1.497 -10.525 -4.325 1.00 74.54 O ATOM 1181 CB TYR A 78 0.026 -8.227 -3.204 1.00 40.11 C ATOM 1182 CG TYR A 78 -1.308 -8.194 -2.490 1.00 2.24 C ATOM 1183 CD1 TYR A 78 -1.433 -8.657 -1.188 1.00 22.30 C ATOM 1184 CD2 TYR A 78 -2.438 -7.687 -3.118 1.00 34.54 C ATOM 1185 CE1 TYR A 78 -2.648 -8.621 -0.530 1.00 22.22 C ATOM 1186 CE2 TYR A 78 -3.658 -7.645 -2.467 1.00 50.34 C ATOM 1187 CZ TYR A 78 -3.757 -8.114 -1.173 1.00 32.30 C ATOM 1188 OH TYR A 78 -4.969 -8.076 -0.522 1.00 15.22 O ATOM 0 H TYR A 78 2.633 -10.083 -3.332 1.00 33.41 H new ATOM 0 HA TYR A 78 0.551 -10.193 -2.519 1.00 43.23 H new ATOM 0 HB2 TYR A 78 0.752 -7.665 -2.616 1.00 40.11 H new ATOM 0 HB3 TYR A 78 -0.076 -7.713 -4.160 1.00 40.11 H new ATOM 0 HD1 TYR A 78 -0.566 -9.052 -0.680 1.00 22.30 H new ATOM 0 HD2 TYR A 78 -2.363 -7.320 -4.131 1.00 34.54 H new ATOM 0 HE1 TYR A 78 -2.728 -8.988 0.483 1.00 22.22 H new ATOM 0 HE2 TYR A 78 -4.528 -7.247 -2.969 1.00 50.34 H new ATOM 0 HH TYR A 78 -5.647 -7.689 -1.115 1.00 15.22 H new ATOM 1198 N ALA A 79 0.375 -10.953 -5.490 1.00 32.42 N ATOM 1199 CA ALA A 79 -0.303 -11.656 -6.574 1.00 3.40 C ATOM 1200 C ALA A 79 -0.828 -13.011 -6.116 1.00 34.55 C ATOM 1201 O ALA A 79 -1.638 -13.632 -6.802 1.00 51.33 O ATOM 1202 CB ALA A 79 0.637 -11.822 -7.758 1.00 13.45 C ATOM 0 H ALA A 79 1.390 -10.927 -5.584 1.00 32.42 H new ATOM 0 HA ALA A 79 -1.160 -11.056 -6.882 1.00 3.40 H new ATOM 0 HB1 ALA A 79 0.121 -12.348 -8.561 1.00 13.45 H new ATOM 0 HB2 ALA A 79 0.954 -10.841 -8.111 1.00 13.45 H new ATOM 0 HB3 ALA A 79 1.511 -12.397 -7.451 1.00 13.45 H new ATOM 1208 N GLY A 80 -0.363 -13.458 -4.955 1.00 33.01 N ATOM 1209 CA GLY A 80 -0.773 -14.746 -4.420 1.00 15.15 C ATOM 1210 C GLY A 80 -2.280 -14.897 -4.329 1.00 40.01 C ATOM 1211 O GLY A 80 -2.829 -15.928 -4.713 1.00 51.32 O ATOM 0 H GLY A 80 0.297 -12.947 -4.369 1.00 33.01 H new ATOM 0 HA2 GLY A 80 -0.371 -15.540 -5.050 1.00 15.15 H new ATOM 0 HA3 GLY A 80 -0.340 -14.876 -3.428 1.00 15.15 H new ATOM 1215 N ILE A 81 -2.953 -13.871 -3.831 1.00 12.12 N ATOM 1216 CA ILE A 81 -4.405 -13.905 -3.710 1.00 33.42 C ATOM 1217 C ILE A 81 -5.087 -13.705 -5.065 1.00 3.12 C ATOM 1218 O ILE A 81 -6.246 -14.059 -5.248 1.00 22.54 O ATOM 1219 CB ILE A 81 -4.922 -12.866 -2.682 1.00 50.14 C ATOM 1220 CG1 ILE A 81 -4.354 -11.462 -2.946 1.00 33.13 C ATOM 1221 CG2 ILE A 81 -4.574 -13.313 -1.270 1.00 54.34 C ATOM 1222 CD1 ILE A 81 -5.075 -10.687 -4.031 1.00 11.53 C ATOM 0 H ILE A 81 -2.520 -13.007 -3.505 1.00 12.12 H new ATOM 0 HA ILE A 81 -4.666 -14.897 -3.342 1.00 33.42 H new ATOM 0 HB ILE A 81 -6.005 -12.807 -2.790 1.00 50.14 H new ATOM 0 HG12 ILE A 81 -4.393 -10.888 -2.020 1.00 33.13 H new ATOM 0 HG13 ILE A 81 -3.303 -11.554 -3.220 1.00 33.13 H new ATOM 0 HG21 ILE A 81 -4.941 -12.577 -0.555 1.00 54.34 H new ATOM 0 HG22 ILE A 81 -5.039 -14.278 -1.069 1.00 54.34 H new ATOM 0 HG23 ILE A 81 -3.492 -13.405 -1.174 1.00 54.34 H new ATOM 0 HD11 ILE A 81 -4.609 -9.709 -4.151 1.00 11.53 H new ATOM 0 HD12 ILE A 81 -5.015 -11.235 -4.971 1.00 11.53 H new ATOM 0 HD13 ILE A 81 -6.121 -10.559 -3.752 1.00 11.53 H new ATOM 1234 N ALA A 82 -4.354 -13.152 -6.021 1.00 63.22 N ATOM 1235 CA ALA A 82 -4.919 -12.825 -7.322 1.00 22.43 C ATOM 1236 C ALA A 82 -4.846 -14.010 -8.279 1.00 75.33 C ATOM 1237 O ALA A 82 -5.259 -13.908 -9.436 1.00 12.33 O ATOM 1238 CB ALA A 82 -4.207 -11.622 -7.916 1.00 72.03 C ATOM 0 H ALA A 82 -3.366 -12.920 -5.920 1.00 63.22 H new ATOM 0 HA ALA A 82 -5.971 -12.581 -7.177 1.00 22.43 H new ATOM 0 HB1 ALA A 82 -4.639 -11.388 -8.889 1.00 72.03 H new ATOM 0 HB2 ALA A 82 -4.323 -10.766 -7.252 1.00 72.03 H new ATOM 0 HB3 ALA A 82 -3.147 -11.848 -8.034 1.00 72.03 H new ATOM 1244 N PHE A 83 -4.337 -15.137 -7.797 1.00 65.11 N ATOM 1245 CA PHE A 83 -4.174 -16.323 -8.634 1.00 32.12 C ATOM 1246 C PHE A 83 -5.510 -16.961 -8.995 1.00 2.31 C ATOM 1247 O PHE A 83 -5.570 -17.814 -9.879 1.00 52.43 O ATOM 1248 CB PHE A 83 -3.268 -17.357 -7.965 1.00 71.14 C ATOM 1249 CG PHE A 83 -1.804 -17.018 -8.032 1.00 13.52 C ATOM 1250 CD1 PHE A 83 -1.242 -16.541 -9.207 1.00 71.15 C ATOM 1251 CD2 PHE A 83 -0.987 -17.192 -6.928 1.00 51.55 C ATOM 1252 CE1 PHE A 83 0.105 -16.241 -9.275 1.00 12.20 C ATOM 1253 CE2 PHE A 83 0.360 -16.892 -6.991 1.00 62.13 C ATOM 1254 CZ PHE A 83 0.907 -16.417 -8.166 1.00 63.34 C ATOM 0 H PHE A 83 -4.030 -15.256 -6.832 1.00 65.11 H new ATOM 0 HA PHE A 83 -3.702 -15.985 -9.557 1.00 32.12 H new ATOM 0 HB2 PHE A 83 -3.560 -17.459 -6.920 1.00 71.14 H new ATOM 0 HB3 PHE A 83 -3.429 -18.326 -8.437 1.00 71.14 H new ATOM 0 HD1 PHE A 83 -1.864 -16.403 -10.079 1.00 71.15 H new ATOM 0 HD2 PHE A 83 -1.408 -17.567 -6.007 1.00 51.55 H new ATOM 0 HE1 PHE A 83 0.530 -15.869 -10.196 1.00 12.20 H new ATOM 0 HE2 PHE A 83 0.985 -17.029 -6.121 1.00 62.13 H new ATOM 0 HZ PHE A 83 1.960 -16.184 -8.217 1.00 63.34 H new ATOM 1264 N TRP A 84 -6.576 -16.558 -8.318 1.00 13.42 N ATOM 1265 CA TRP A 84 -7.908 -17.059 -8.637 1.00 10.45 C ATOM 1266 C TRP A 84 -8.402 -16.432 -9.935 1.00 2.41 C ATOM 1267 O TRP A 84 -9.010 -17.095 -10.771 1.00 23.54 O ATOM 1268 CB TRP A 84 -8.898 -16.747 -7.510 1.00 51.23 C ATOM 1269 CG TRP A 84 -8.416 -17.159 -6.152 1.00 13.42 C ATOM 1270 CD1 TRP A 84 -7.802 -18.329 -5.817 1.00 21.01 C ATOM 1271 CD2 TRP A 84 -8.525 -16.402 -4.940 1.00 33.05 C ATOM 1272 NE1 TRP A 84 -7.508 -18.341 -4.477 1.00 50.34 N ATOM 1273 CE2 TRP A 84 -7.945 -17.168 -3.914 1.00 44.33 C ATOM 1274 CE3 TRP A 84 -9.056 -15.146 -4.626 1.00 4.15 C ATOM 1275 CZ2 TRP A 84 -7.876 -16.720 -2.598 1.00 50.11 C ATOM 1276 CZ3 TRP A 84 -8.988 -14.703 -3.319 1.00 52.23 C ATOM 1277 CH2 TRP A 84 -8.403 -15.490 -2.317 1.00 31.35 C ATOM 0 H TRP A 84 -6.547 -15.889 -7.548 1.00 13.42 H new ATOM 0 HA TRP A 84 -7.844 -18.141 -8.753 1.00 10.45 H new ATOM 0 HB2 TRP A 84 -9.102 -15.676 -7.504 1.00 51.23 H new ATOM 0 HB3 TRP A 84 -9.842 -17.250 -7.719 1.00 51.23 H new ATOM 0 HD1 TRP A 84 -7.579 -19.130 -6.506 1.00 21.01 H new ATOM 0 HE1 TRP A 84 -7.040 -19.099 -3.980 1.00 50.34 H new ATOM 0 HE3 TRP A 84 -9.511 -14.534 -5.391 1.00 4.15 H new ATOM 0 HZ2 TRP A 84 -7.422 -17.323 -1.826 1.00 50.11 H new ATOM 0 HZ3 TRP A 84 -9.392 -13.734 -3.065 1.00 52.23 H new ATOM 0 HH2 TRP A 84 -8.368 -15.118 -1.304 1.00 31.35 H new ATOM 1288 N ALA A 85 -8.105 -15.149 -10.099 1.00 73.24 N ATOM 1289 CA ALA A 85 -8.583 -14.382 -11.242 1.00 34.54 C ATOM 1290 C ALA A 85 -7.628 -14.495 -12.427 1.00 55.14 C ATOM 1291 O ALA A 85 -7.994 -14.199 -13.562 1.00 24.13 O ATOM 1292 CB ALA A 85 -8.751 -12.925 -10.845 1.00 2.53 C ATOM 0 H ALA A 85 -7.530 -14.614 -9.448 1.00 73.24 H new ATOM 0 HA ALA A 85 -9.545 -14.791 -11.549 1.00 34.54 H new ATOM 0 HB1 ALA A 85 -9.109 -12.353 -11.701 1.00 2.53 H new ATOM 0 HB2 ALA A 85 -9.473 -12.850 -10.032 1.00 2.53 H new ATOM 0 HB3 ALA A 85 -7.792 -12.525 -10.516 1.00 2.53 H new ATOM 1298 N THR A 86 -6.401 -14.912 -12.154 1.00 31.43 N ATOM 1299 CA THR A 86 -5.386 -15.016 -13.193 1.00 3.43 C ATOM 1300 C THR A 86 -5.143 -16.468 -13.595 1.00 4.53 C ATOM 1301 O THR A 86 -4.961 -16.774 -14.775 1.00 62.54 O ATOM 1302 CB THR A 86 -4.064 -14.380 -12.731 1.00 5.45 C ATOM 1303 OG1 THR A 86 -3.711 -14.875 -11.434 1.00 54.33 O ATOM 1304 CG2 THR A 86 -4.179 -12.863 -12.688 1.00 75.10 C ATOM 0 H THR A 86 -6.084 -15.184 -11.223 1.00 31.43 H new ATOM 0 HA THR A 86 -5.759 -14.475 -14.063 1.00 3.43 H new ATOM 0 HB THR A 86 -3.286 -14.648 -13.446 1.00 5.45 H new ATOM 0 HG1 THR A 86 -4.276 -14.449 -10.756 1.00 54.33 H new ATOM 0 HG21 THR A 86 -3.232 -12.436 -12.359 1.00 75.10 H new ATOM 0 HG22 THR A 86 -4.420 -12.488 -13.683 1.00 75.10 H new ATOM 0 HG23 THR A 86 -4.968 -12.577 -11.992 1.00 75.10 H new ATOM 1312 N GLY A 87 -5.148 -17.358 -12.612 1.00 43.34 N ATOM 1313 CA GLY A 87 -4.918 -18.759 -12.877 1.00 10.45 C ATOM 1314 C GLY A 87 -3.569 -19.220 -12.371 1.00 54.35 C ATOM 1315 O GLY A 87 -2.558 -19.068 -13.057 1.00 11.42 O ATOM 0 H GLY A 87 -5.309 -17.130 -11.631 1.00 43.34 H new ATOM 0 HA2 GLY A 87 -5.703 -19.350 -12.405 1.00 10.45 H new ATOM 0 HA3 GLY A 87 -4.983 -18.940 -13.950 1.00 10.45 H new ATOM 1319 N GLU A 88 -3.542 -19.767 -11.157 1.00 34.34 N ATOM 1320 CA GLU A 88 -2.308 -20.305 -10.588 1.00 32.31 C ATOM 1321 C GLU A 88 -1.872 -21.549 -11.361 1.00 64.23 C ATOM 1322 O GLU A 88 -0.705 -21.943 -11.336 1.00 23.31 O ATOM 1323 CB GLU A 88 -2.496 -20.622 -9.100 1.00 24.21 C ATOM 1324 CG GLU A 88 -3.551 -21.679 -8.815 1.00 2.41 C ATOM 1325 CD GLU A 88 -3.823 -21.833 -7.333 1.00 12.20 C ATOM 1326 OE1 GLU A 88 -2.904 -22.243 -6.591 1.00 55.24 O ATOM 1327 OE2 GLU A 88 -4.954 -21.544 -6.902 1.00 3.52 O ATOM 0 H GLU A 88 -4.358 -19.849 -10.550 1.00 34.34 H new ATOM 0 HA GLU A 88 -1.523 -19.554 -10.675 1.00 32.31 H new ATOM 0 HB2 GLU A 88 -1.543 -20.956 -8.688 1.00 24.21 H new ATOM 0 HB3 GLU A 88 -2.766 -19.705 -8.576 1.00 24.21 H new ATOM 0 HG2 GLU A 88 -4.476 -21.413 -9.326 1.00 2.41 H new ATOM 0 HG3 GLU A 88 -3.224 -22.635 -9.224 1.00 2.41 H new ATOM 1334 N TRP A 89 -2.831 -22.155 -12.041 1.00 73.43 N ATOM 1335 CA TRP A 89 -2.570 -23.246 -12.960 1.00 32.14 C ATOM 1336 C TRP A 89 -3.475 -23.066 -14.171 1.00 21.21 C ATOM 1337 O TRP A 89 -4.562 -22.495 -14.044 1.00 1.13 O ATOM 1338 CB TRP A 89 -2.823 -24.602 -12.289 1.00 33.11 C ATOM 1339 CG TRP A 89 -2.317 -25.764 -13.090 1.00 32.54 C ATOM 1340 CD1 TRP A 89 -1.015 -26.135 -13.255 1.00 73.10 C ATOM 1341 CD2 TRP A 89 -3.101 -26.712 -13.828 1.00 65.44 C ATOM 1342 NE1 TRP A 89 -0.937 -27.242 -14.064 1.00 0.45 N ATOM 1343 CE2 TRP A 89 -2.204 -27.619 -14.427 1.00 61.41 C ATOM 1344 CE3 TRP A 89 -4.471 -26.880 -14.045 1.00 62.21 C ATOM 1345 CZ2 TRP A 89 -2.636 -28.673 -15.228 1.00 12.45 C ATOM 1346 CZ3 TRP A 89 -4.898 -27.930 -14.838 1.00 12.34 C ATOM 1347 CH2 TRP A 89 -3.982 -28.814 -15.422 1.00 24.00 C ATOM 0 H TRP A 89 -3.816 -21.901 -11.969 1.00 73.43 H new ATOM 0 HA TRP A 89 -1.524 -23.231 -13.267 1.00 32.14 H new ATOM 0 HB2 TRP A 89 -2.345 -24.609 -11.309 1.00 33.11 H new ATOM 0 HB3 TRP A 89 -3.893 -24.723 -12.123 1.00 33.11 H new ATOM 0 HD1 TRP A 89 -0.168 -25.631 -12.813 1.00 73.10 H new ATOM 0 HE1 TRP A 89 -0.076 -27.708 -14.349 1.00 0.45 H new ATOM 0 HE3 TRP A 89 -5.185 -26.202 -13.601 1.00 62.21 H new ATOM 0 HZ2 TRP A 89 -1.932 -29.356 -15.680 1.00 12.45 H new ATOM 0 HZ3 TRP A 89 -5.955 -28.070 -15.010 1.00 12.34 H new ATOM 0 HH2 TRP A 89 -4.346 -29.623 -16.038 1.00 24.00 H new ATOM 1358 N LYS A 90 -3.026 -23.512 -15.335 1.00 34.01 N ATOM 1359 CA LYS A 90 -3.782 -23.321 -16.564 1.00 61.45 C ATOM 1360 C LYS A 90 -5.135 -24.032 -16.502 1.00 52.13 C ATOM 1361 O LYS A 90 -5.219 -25.258 -16.496 1.00 61.32 O ATOM 1362 CB LYS A 90 -2.967 -23.793 -17.771 1.00 13.55 C ATOM 1363 CG LYS A 90 -2.483 -25.233 -17.677 1.00 12.24 C ATOM 1364 CD LYS A 90 -1.530 -25.572 -18.809 1.00 21.31 C ATOM 1365 CE LYS A 90 -2.169 -25.343 -20.168 1.00 71.25 C ATOM 1366 NZ LYS A 90 -1.191 -25.508 -21.272 1.00 22.21 N ATOM 0 H LYS A 90 -2.143 -24.008 -15.454 1.00 34.01 H new ATOM 0 HA LYS A 90 -3.979 -22.255 -16.678 1.00 61.45 H new ATOM 0 HB2 LYS A 90 -3.575 -23.684 -18.669 1.00 13.55 H new ATOM 0 HB3 LYS A 90 -2.103 -23.139 -17.889 1.00 13.55 H new ATOM 0 HG2 LYS A 90 -1.984 -25.389 -16.720 1.00 12.24 H new ATOM 0 HG3 LYS A 90 -3.338 -25.908 -17.705 1.00 12.24 H new ATOM 0 HD2 LYS A 90 -0.630 -24.963 -18.722 1.00 21.31 H new ATOM 0 HD3 LYS A 90 -1.219 -26.613 -18.724 1.00 21.31 H new ATOM 0 HE2 LYS A 90 -2.993 -26.043 -20.305 1.00 71.25 H new ATOM 0 HE3 LYS A 90 -2.594 -24.340 -20.206 1.00 71.25 H new ATOM 0 HZ1 LYS A 90 -1.665 -25.344 -22.183 1.00 22.21 H new ATOM 0 HZ2 LYS A 90 -0.417 -24.823 -21.156 1.00 22.21 H new ATOM 0 HZ3 LYS A 90 -0.804 -26.473 -21.252 1.00 22.21 H new ATOM 1380 N ALA A 91 -6.195 -23.240 -16.457 1.00 31.02 N ATOM 1381 CA ALA A 91 -7.546 -23.765 -16.356 1.00 20.13 C ATOM 1382 C ALA A 91 -8.020 -24.300 -17.703 1.00 61.32 C ATOM 1383 O ALA A 91 -8.223 -23.536 -18.649 1.00 4.30 O ATOM 1384 CB ALA A 91 -8.490 -22.688 -15.845 1.00 50.01 C ATOM 0 H ALA A 91 -6.143 -22.222 -16.489 1.00 31.02 H new ATOM 0 HA ALA A 91 -7.544 -24.592 -15.646 1.00 20.13 H new ATOM 0 HB1 ALA A 91 -9.499 -23.093 -15.773 1.00 50.01 H new ATOM 0 HB2 ALA A 91 -8.162 -22.354 -14.860 1.00 50.01 H new ATOM 0 HB3 ALA A 91 -8.486 -21.844 -16.534 1.00 50.01 H new ATOM 1390 N LYS A 92 -8.194 -25.607 -17.787 1.00 32.53 N ATOM 1391 CA LYS A 92 -8.655 -26.236 -19.014 1.00 52.30 C ATOM 1392 C LYS A 92 -10.161 -26.472 -18.960 1.00 52.21 C ATOM 1393 O LYS A 92 -10.853 -26.363 -19.973 1.00 23.12 O ATOM 1394 CB LYS A 92 -7.906 -27.549 -19.268 1.00 14.35 C ATOM 1395 CG LYS A 92 -7.889 -28.491 -18.078 1.00 5.21 C ATOM 1396 CD LYS A 92 -7.157 -29.779 -18.398 1.00 64.35 C ATOM 1397 CE LYS A 92 -6.958 -30.631 -17.154 1.00 5.32 C ATOM 1398 NZ LYS A 92 -8.246 -31.003 -16.509 1.00 24.04 N ATOM 0 H LYS A 92 -8.023 -26.256 -17.019 1.00 32.53 H new ATOM 0 HA LYS A 92 -8.444 -25.563 -19.845 1.00 52.30 H new ATOM 0 HB2 LYS A 92 -8.365 -28.059 -20.115 1.00 14.35 H new ATOM 0 HB3 LYS A 92 -6.879 -27.320 -19.552 1.00 14.35 H new ATOM 0 HG2 LYS A 92 -7.410 -28.000 -17.231 1.00 5.21 H new ATOM 0 HG3 LYS A 92 -8.912 -28.718 -17.778 1.00 5.21 H new ATOM 0 HD2 LYS A 92 -7.720 -30.344 -19.141 1.00 64.35 H new ATOM 0 HD3 LYS A 92 -6.188 -29.548 -18.841 1.00 64.35 H new ATOM 0 HE2 LYS A 92 -6.413 -31.537 -17.421 1.00 5.32 H new ATOM 0 HE3 LYS A 92 -6.341 -30.087 -16.439 1.00 5.32 H new ATOM 0 HZ1 LYS A 92 -8.077 -31.741 -15.796 1.00 24.04 H new ATOM 0 HZ2 LYS A 92 -8.659 -30.166 -16.050 1.00 24.04 H new ATOM 0 HZ3 LYS A 92 -8.904 -31.363 -17.230 1.00 24.04 H new ATOM 1412 N ASN A 93 -10.666 -26.781 -17.770 1.00 73.15 N ATOM 1413 CA ASN A 93 -12.105 -26.950 -17.563 1.00 62.15 C ATOM 1414 C ASN A 93 -12.436 -26.947 -16.074 1.00 44.31 C ATOM 1415 O ASN A 93 -13.499 -27.408 -15.656 1.00 22.33 O ATOM 1416 CB ASN A 93 -12.614 -28.242 -18.227 1.00 71.54 C ATOM 1417 CG ASN A 93 -12.060 -29.515 -17.606 1.00 63.44 C ATOM 1418 OD1 ASN A 93 -10.944 -29.548 -17.092 1.00 74.24 O ATOM 1419 ND2 ASN A 93 -12.837 -30.581 -17.667 1.00 74.14 N ATOM 0 H ASN A 93 -10.102 -26.920 -16.932 1.00 73.15 H new ATOM 0 HA ASN A 93 -12.613 -26.108 -18.033 1.00 62.15 H new ATOM 0 HB2 ASN A 93 -13.702 -28.265 -18.168 1.00 71.54 H new ATOM 0 HB3 ASN A 93 -12.353 -28.222 -19.285 1.00 71.54 H new ATOM 0 HD21 ASN A 93 -12.516 -31.469 -17.280 1.00 74.14 H new ATOM 0 HD22 ASN A 93 -13.758 -30.517 -18.101 1.00 74.14 H new ATOM 1426 N GLU A 94 -11.524 -26.399 -15.284 1.00 30.20 N ATOM 1427 CA GLU A 94 -11.685 -26.319 -13.837 1.00 3.05 C ATOM 1428 C GLU A 94 -12.553 -25.123 -13.447 1.00 35.14 C ATOM 1429 O GLU A 94 -13.059 -24.396 -14.309 1.00 61.05 O ATOM 1430 CB GLU A 94 -10.315 -26.194 -13.153 1.00 21.22 C ATOM 1431 CG GLU A 94 -9.427 -27.430 -13.256 1.00 12.34 C ATOM 1432 CD GLU A 94 -9.059 -27.789 -14.681 1.00 61.25 C ATOM 1433 OE1 GLU A 94 -8.832 -26.868 -15.495 1.00 33.13 O ATOM 1434 OE2 GLU A 94 -9.031 -28.995 -14.996 1.00 12.20 O ATOM 0 H GLU A 94 -10.651 -25.997 -15.627 1.00 30.20 H new ATOM 0 HA GLU A 94 -12.176 -27.234 -13.507 1.00 3.05 H new ATOM 0 HB2 GLU A 94 -9.785 -25.347 -13.588 1.00 21.22 H new ATOM 0 HB3 GLU A 94 -10.472 -25.965 -12.099 1.00 21.22 H new ATOM 0 HG2 GLU A 94 -8.514 -27.261 -12.684 1.00 12.34 H new ATOM 0 HG3 GLU A 94 -9.939 -28.276 -12.797 1.00 12.34 H new ATOM 1441 N PHE A 95 -12.703 -24.913 -12.140 1.00 22.02 N ATOM 1442 CA PHE A 95 -13.447 -23.771 -11.615 1.00 14.43 C ATOM 1443 C PHE A 95 -12.687 -22.479 -11.869 1.00 71.02 C ATOM 1444 O PHE A 95 -13.283 -21.413 -12.000 1.00 54.43 O ATOM 1445 CB PHE A 95 -13.707 -23.933 -10.116 1.00 41.41 C ATOM 1446 CG PHE A 95 -14.820 -24.888 -9.788 1.00 34.34 C ATOM 1447 CD1 PHE A 95 -14.580 -26.245 -9.651 1.00 40.15 C ATOM 1448 CD2 PHE A 95 -16.113 -24.421 -9.610 1.00 23.41 C ATOM 1449 CE1 PHE A 95 -15.607 -27.117 -9.344 1.00 25.23 C ATOM 1450 CE2 PHE A 95 -17.144 -25.288 -9.302 1.00 32.31 C ATOM 1451 CZ PHE A 95 -16.891 -26.637 -9.169 1.00 13.22 C ATOM 0 H PHE A 95 -12.316 -25.524 -11.421 1.00 22.02 H new ATOM 0 HA PHE A 95 -14.405 -23.728 -12.132 1.00 14.43 H new ATOM 0 HB2 PHE A 95 -12.792 -24.278 -9.634 1.00 41.41 H new ATOM 0 HB3 PHE A 95 -13.942 -22.957 -9.691 1.00 41.41 H new ATOM 0 HD1 PHE A 95 -13.579 -26.626 -9.786 1.00 40.15 H new ATOM 0 HD2 PHE A 95 -16.317 -23.366 -9.713 1.00 23.41 H new ATOM 0 HE1 PHE A 95 -15.406 -28.173 -9.241 1.00 25.23 H new ATOM 0 HE2 PHE A 95 -18.146 -24.910 -9.166 1.00 32.31 H new ATOM 0 HZ PHE A 95 -17.695 -27.317 -8.929 1.00 13.22 H new ATOM 1461 N THR A 96 -11.365 -22.592 -11.923 1.00 11.21 N ATOM 1462 CA THR A 96 -10.479 -21.456 -12.156 1.00 71.21 C ATOM 1463 C THR A 96 -10.921 -20.622 -13.365 1.00 12.12 C ATOM 1464 O THR A 96 -10.797 -19.399 -13.359 1.00 13.24 O ATOM 1465 CB THR A 96 -9.040 -21.959 -12.374 1.00 44.20 C ATOM 1466 OG1 THR A 96 -8.733 -22.960 -11.396 1.00 31.21 O ATOM 1467 CG2 THR A 96 -8.034 -20.822 -12.273 1.00 52.14 C ATOM 0 H THR A 96 -10.874 -23.479 -11.806 1.00 11.21 H new ATOM 0 HA THR A 96 -10.524 -20.815 -11.276 1.00 71.21 H new ATOM 0 HB THR A 96 -8.974 -22.381 -13.377 1.00 44.20 H new ATOM 0 HG1 THR A 96 -7.818 -23.283 -11.534 1.00 31.21 H new ATOM 0 HG21 THR A 96 -7.028 -21.211 -12.432 1.00 52.14 H new ATOM 0 HG22 THR A 96 -8.256 -20.071 -13.031 1.00 52.14 H new ATOM 0 HG23 THR A 96 -8.096 -20.368 -11.284 1.00 52.14 H new ATOM 1475 N GLN A 97 -11.453 -21.282 -14.392 1.00 2.53 N ATOM 1476 CA GLN A 97 -11.932 -20.586 -15.579 1.00 70.05 C ATOM 1477 C GLN A 97 -13.084 -19.640 -15.253 1.00 30.31 C ATOM 1478 O GLN A 97 -13.207 -18.582 -15.862 1.00 61.12 O ATOM 1479 CB GLN A 97 -12.359 -21.588 -16.648 1.00 71.42 C ATOM 1480 CG GLN A 97 -11.295 -21.825 -17.707 1.00 73.01 C ATOM 1481 CD GLN A 97 -11.779 -22.702 -18.841 1.00 54.31 C ATOM 1482 OE1 GLN A 97 -12.966 -22.716 -19.165 1.00 31.01 O ATOM 1483 NE2 GLN A 97 -10.866 -23.425 -19.463 1.00 61.13 N ATOM 0 H GLN A 97 -11.562 -22.296 -14.424 1.00 2.53 H new ATOM 0 HA GLN A 97 -11.107 -19.985 -15.962 1.00 70.05 H new ATOM 0 HB2 GLN A 97 -12.604 -22.537 -16.170 1.00 71.42 H new ATOM 0 HB3 GLN A 97 -13.268 -21.229 -17.130 1.00 71.42 H new ATOM 0 HG2 GLN A 97 -10.970 -20.866 -18.109 1.00 73.01 H new ATOM 0 HG3 GLN A 97 -10.424 -22.288 -17.243 1.00 73.01 H new ATOM 0 HE21 GLN A 97 -9.892 -23.385 -19.163 1.00 61.13 H new ATOM 0 HE22 GLN A 97 -11.135 -24.024 -20.244 1.00 61.13 H new ATOM 1492 N ALA A 98 -13.917 -20.020 -14.292 1.00 54.24 N ATOM 1493 CA ALA A 98 -15.039 -19.187 -13.878 1.00 24.41 C ATOM 1494 C ALA A 98 -14.559 -18.026 -13.015 1.00 54.10 C ATOM 1495 O ALA A 98 -15.134 -16.937 -13.035 1.00 2.33 O ATOM 1496 CB ALA A 98 -16.068 -20.018 -13.129 1.00 71.05 C ATOM 0 H ALA A 98 -13.836 -20.901 -13.784 1.00 54.24 H new ATOM 0 HA ALA A 98 -15.509 -18.776 -14.771 1.00 24.41 H new ATOM 0 HB1 ALA A 98 -16.899 -19.381 -12.827 1.00 71.05 H new ATOM 0 HB2 ALA A 98 -16.437 -20.812 -13.778 1.00 71.05 H new ATOM 0 HB3 ALA A 98 -15.607 -20.457 -12.244 1.00 71.05 H new ATOM 1502 N TYR A 99 -13.492 -18.267 -12.265 1.00 74.11 N ATOM 1503 CA TYR A 99 -12.912 -17.256 -11.400 1.00 2.02 C ATOM 1504 C TYR A 99 -12.110 -16.236 -12.202 1.00 40.35 C ATOM 1505 O TYR A 99 -12.018 -15.066 -11.828 1.00 34.31 O ATOM 1506 CB TYR A 99 -12.044 -17.930 -10.340 1.00 42.22 C ATOM 1507 CG TYR A 99 -12.855 -18.556 -9.230 1.00 23.20 C ATOM 1508 CD1 TYR A 99 -13.438 -17.767 -8.249 1.00 72.21 C ATOM 1509 CD2 TYR A 99 -13.050 -19.930 -9.170 1.00 64.15 C ATOM 1510 CE1 TYR A 99 -14.193 -18.326 -7.239 1.00 4.54 C ATOM 1511 CE2 TYR A 99 -13.803 -20.497 -8.160 1.00 15.13 C ATOM 1512 CZ TYR A 99 -14.374 -19.691 -7.198 1.00 70.13 C ATOM 1513 OH TYR A 99 -15.133 -20.251 -6.194 1.00 2.22 O ATOM 0 H TYR A 99 -13.008 -19.165 -12.241 1.00 74.11 H new ATOM 0 HA TYR A 99 -13.717 -16.712 -10.905 1.00 2.02 H new ATOM 0 HB2 TYR A 99 -11.431 -18.697 -10.813 1.00 42.22 H new ATOM 0 HB3 TYR A 99 -11.361 -17.194 -9.915 1.00 42.22 H new ATOM 0 HD1 TYR A 99 -13.298 -16.696 -8.277 1.00 72.21 H new ATOM 0 HD2 TYR A 99 -12.607 -20.564 -9.924 1.00 64.15 H new ATOM 0 HE1 TYR A 99 -14.640 -17.696 -6.484 1.00 4.54 H new ATOM 0 HE2 TYR A 99 -13.944 -21.567 -8.124 1.00 15.13 H new ATOM 0 HH TYR A 99 -15.163 -21.224 -6.310 1.00 2.22 H new ATOM 1523 N ALA A 100 -11.537 -16.688 -13.309 1.00 32.14 N ATOM 1524 CA ALA A 100 -10.837 -15.801 -14.230 1.00 71.35 C ATOM 1525 C ALA A 100 -11.831 -15.131 -15.173 1.00 3.21 C ATOM 1526 O ALA A 100 -11.516 -14.140 -15.839 1.00 72.24 O ATOM 1527 CB ALA A 100 -9.794 -16.575 -15.024 1.00 60.23 C ATOM 0 H ALA A 100 -11.543 -17.668 -13.592 1.00 32.14 H new ATOM 0 HA ALA A 100 -10.328 -15.030 -13.652 1.00 71.35 H new ATOM 0 HB1 ALA A 100 -9.281 -15.898 -15.707 1.00 60.23 H new ATOM 0 HB2 ALA A 100 -9.070 -17.018 -14.340 1.00 60.23 H new ATOM 0 HB3 ALA A 100 -10.283 -17.364 -15.595 1.00 60.23 H new ATOM 1533 N LYS A 101 -13.039 -15.679 -15.211 1.00 73.25 N ATOM 1534 CA LYS A 101 -14.083 -15.185 -16.093 1.00 72.41 C ATOM 1535 C LYS A 101 -14.671 -13.890 -15.553 1.00 32.23 C ATOM 1536 O LYS A 101 -15.212 -13.855 -14.448 1.00 73.32 O ATOM 1537 CB LYS A 101 -15.186 -16.236 -16.251 1.00 44.03 C ATOM 1538 CG LYS A 101 -16.273 -15.841 -17.230 1.00 22.01 C ATOM 1539 CD LYS A 101 -17.315 -16.935 -17.372 1.00 11.25 C ATOM 1540 CE LYS A 101 -18.375 -16.565 -18.395 1.00 24.54 C ATOM 1541 NZ LYS A 101 -17.799 -16.407 -19.756 1.00 2.20 N ATOM 0 H LYS A 101 -13.319 -16.473 -14.635 1.00 73.25 H new ATOM 0 HA LYS A 101 -13.642 -14.986 -17.070 1.00 72.41 H new ATOM 0 HB2 LYS A 101 -14.737 -17.173 -16.580 1.00 44.03 H new ATOM 0 HB3 LYS A 101 -15.638 -16.424 -15.277 1.00 44.03 H new ATOM 0 HG2 LYS A 101 -16.752 -14.922 -16.893 1.00 22.01 H new ATOM 0 HG3 LYS A 101 -15.829 -15.631 -18.203 1.00 22.01 H new ATOM 0 HD2 LYS A 101 -16.830 -17.865 -17.669 1.00 11.25 H new ATOM 0 HD3 LYS A 101 -17.787 -17.117 -16.407 1.00 11.25 H new ATOM 0 HE2 LYS A 101 -19.146 -17.335 -18.414 1.00 24.54 H new ATOM 0 HE3 LYS A 101 -18.860 -15.636 -18.096 1.00 24.54 H new ATOM 0 HZ1 LYS A 101 -18.565 -16.408 -20.459 1.00 2.20 H new ATOM 0 HZ2 LYS A 101 -17.280 -15.508 -19.811 1.00 2.20 H new ATOM 0 HZ3 LYS A 101 -17.149 -17.195 -19.951 1.00 2.20 H new ATOM 1555 N LEU A 102 -14.531 -12.825 -16.338 1.00 41.15 N ATOM 1556 CA LEU A 102 -15.093 -11.515 -16.002 1.00 33.03 C ATOM 1557 C LEU A 102 -14.484 -10.936 -14.727 1.00 72.31 C ATOM 1558 O LEU A 102 -15.083 -10.079 -14.083 1.00 1.34 O ATOM 1559 CB LEU A 102 -16.625 -11.581 -15.875 1.00 21.31 C ATOM 1560 CG LEU A 102 -17.409 -11.363 -17.176 1.00 72.04 C ATOM 1561 CD1 LEU A 102 -17.087 -10.003 -17.777 1.00 52.10 C ATOM 1562 CD2 LEU A 102 -17.121 -12.468 -18.179 1.00 33.22 C ATOM 0 H LEU A 102 -14.026 -12.843 -17.224 1.00 41.15 H new ATOM 0 HA LEU A 102 -14.838 -10.847 -16.825 1.00 33.03 H new ATOM 0 HB2 LEU A 102 -16.896 -12.555 -15.468 1.00 21.31 H new ATOM 0 HB3 LEU A 102 -16.944 -10.832 -15.150 1.00 21.31 H new ATOM 0 HG LEU A 102 -18.472 -11.392 -16.935 1.00 72.04 H new ATOM 0 HD11 LEU A 102 -17.653 -9.869 -18.699 1.00 52.10 H new ATOM 0 HD12 LEU A 102 -17.356 -9.219 -17.069 1.00 52.10 H new ATOM 0 HD13 LEU A 102 -16.021 -9.945 -17.995 1.00 52.10 H new ATOM 0 HD21 LEU A 102 -17.690 -12.288 -19.091 1.00 33.22 H new ATOM 0 HD22 LEU A 102 -16.056 -12.480 -18.411 1.00 33.22 H new ATOM 0 HD23 LEU A 102 -17.410 -13.429 -17.754 1.00 33.22 H new ATOM 1574 N MET A 103 -13.287 -11.392 -14.363 1.00 22.15 N ATOM 1575 CA MET A 103 -12.553 -10.785 -13.255 1.00 25.01 C ATOM 1576 C MET A 103 -12.140 -9.368 -13.636 1.00 33.20 C ATOM 1577 O MET A 103 -11.997 -8.486 -12.787 1.00 0.43 O ATOM 1578 CB MET A 103 -11.337 -11.641 -12.868 1.00 70.21 C ATOM 1579 CG MET A 103 -10.311 -11.849 -13.978 1.00 22.14 C ATOM 1580 SD MET A 103 -9.195 -10.446 -14.197 1.00 11.24 S ATOM 1581 CE MET A 103 -8.103 -11.083 -15.464 1.00 62.15 C ATOM 0 H MET A 103 -12.809 -12.172 -14.814 1.00 22.15 H new ATOM 0 HA MET A 103 -13.201 -10.735 -12.380 1.00 25.01 H new ATOM 0 HB2 MET A 103 -10.840 -11.174 -12.018 1.00 70.21 H new ATOM 0 HB3 MET A 103 -11.691 -12.616 -12.534 1.00 70.21 H new ATOM 0 HG2 MET A 103 -9.723 -12.740 -13.757 1.00 22.14 H new ATOM 0 HG3 MET A 103 -10.834 -12.037 -14.915 1.00 22.14 H new ATOM 0 HE1 MET A 103 -7.354 -10.331 -15.710 1.00 62.15 H new ATOM 0 HE2 MET A 103 -7.608 -11.983 -15.099 1.00 62.15 H new ATOM 0 HE3 MET A 103 -8.682 -11.324 -16.356 1.00 62.15 H new ATOM 1591 N ASN A 104 -11.982 -9.166 -14.942 1.00 60.20 N ATOM 1592 CA ASN A 104 -11.605 -7.874 -15.509 1.00 23.43 C ATOM 1593 C ASN A 104 -12.656 -6.811 -15.203 1.00 51.31 C ATOM 1594 O ASN A 104 -12.374 -5.617 -15.233 1.00 40.55 O ATOM 1595 CB ASN A 104 -11.438 -8.008 -17.021 1.00 31.11 C ATOM 1596 CG ASN A 104 -10.672 -6.850 -17.634 1.00 11.22 C ATOM 1597 OD1 ASN A 104 -9.781 -6.272 -17.009 1.00 4.33 O ATOM 1598 ND2 ASN A 104 -11.015 -6.501 -18.863 1.00 33.32 N ATOM 0 H ASN A 104 -12.113 -9.898 -15.640 1.00 60.20 H new ATOM 0 HA ASN A 104 -10.663 -7.564 -15.057 1.00 23.43 H new ATOM 0 HB2 ASN A 104 -10.918 -8.940 -17.243 1.00 31.11 H new ATOM 0 HB3 ASN A 104 -12.422 -8.073 -17.486 1.00 31.11 H new ATOM 0 HD21 ASN A 104 -10.536 -5.729 -19.326 1.00 33.32 H new ATOM 0 HD22 ASN A 104 -11.758 -7.004 -19.347 1.00 33.32 H new ATOM 1605 N GLN A 105 -13.874 -7.267 -14.927 1.00 41.14 N ATOM 1606 CA GLN A 105 -14.981 -6.392 -14.568 1.00 31.45 C ATOM 1607 C GLN A 105 -14.610 -5.531 -13.359 1.00 32.14 C ATOM 1608 O GLN A 105 -14.850 -4.323 -13.337 1.00 40.44 O ATOM 1609 CB GLN A 105 -16.198 -7.263 -14.247 1.00 13.11 C ATOM 1610 CG GLN A 105 -17.531 -6.674 -14.659 1.00 41.13 C ATOM 1611 CD GLN A 105 -17.984 -5.541 -13.767 1.00 24.42 C ATOM 1612 OE1 GLN A 105 -18.647 -5.760 -12.752 1.00 33.42 O ATOM 1613 NE2 GLN A 105 -17.644 -4.322 -14.142 1.00 62.11 N ATOM 0 H GLN A 105 -14.120 -8.257 -14.947 1.00 41.14 H new ATOM 0 HA GLN A 105 -15.210 -5.723 -15.398 1.00 31.45 H new ATOM 0 HB2 GLN A 105 -16.076 -8.228 -14.739 1.00 13.11 H new ATOM 0 HB3 GLN A 105 -16.217 -7.453 -13.174 1.00 13.11 H new ATOM 0 HG2 GLN A 105 -17.460 -6.313 -15.685 1.00 41.13 H new ATOM 0 HG3 GLN A 105 -18.286 -7.460 -14.649 1.00 41.13 H new ATOM 0 HE21 GLN A 105 -17.094 -4.184 -14.990 1.00 62.11 H new ATOM 0 HE22 GLN A 105 -17.931 -3.518 -13.584 1.00 62.11 H new ATOM 1622 N TYR A 106 -14.006 -6.163 -12.362 1.00 22.14 N ATOM 1623 CA TYR A 106 -13.596 -5.462 -11.155 1.00 52.53 C ATOM 1624 C TYR A 106 -12.202 -4.869 -11.335 1.00 62.30 C ATOM 1625 O TYR A 106 -11.839 -3.882 -10.690 1.00 61.32 O ATOM 1626 CB TYR A 106 -13.619 -6.420 -9.958 1.00 24.41 C ATOM 1627 CG TYR A 106 -13.377 -5.744 -8.627 1.00 43.34 C ATOM 1628 CD1 TYR A 106 -14.421 -5.150 -7.930 1.00 21.23 C ATOM 1629 CD2 TYR A 106 -12.107 -5.703 -8.066 1.00 74.02 C ATOM 1630 CE1 TYR A 106 -14.208 -4.535 -6.714 1.00 70.32 C ATOM 1631 CE2 TYR A 106 -11.886 -5.091 -6.849 1.00 62.05 C ATOM 1632 CZ TYR A 106 -12.940 -4.509 -6.176 1.00 54.23 C ATOM 1633 OH TYR A 106 -12.728 -3.899 -4.961 1.00 33.44 O ATOM 0 H TYR A 106 -13.789 -7.160 -12.366 1.00 22.14 H new ATOM 0 HA TYR A 106 -14.296 -4.648 -10.966 1.00 52.53 H new ATOM 0 HB2 TYR A 106 -14.585 -6.925 -9.928 1.00 24.41 H new ATOM 0 HB3 TYR A 106 -12.862 -7.190 -10.107 1.00 24.41 H new ATOM 0 HD1 TYR A 106 -15.417 -5.170 -8.347 1.00 21.23 H new ATOM 0 HD2 TYR A 106 -11.279 -6.157 -8.591 1.00 74.02 H new ATOM 0 HE1 TYR A 106 -15.031 -4.076 -6.186 1.00 70.32 H new ATOM 0 HE2 TYR A 106 -10.893 -5.068 -6.426 1.00 62.05 H new ATOM 0 HH TYR A 106 -11.780 -3.968 -4.721 1.00 33.44 H new ATOM 1643 N ARG A 107 -11.426 -5.479 -12.222 1.00 73.54 N ATOM 1644 CA ARG A 107 -10.081 -5.009 -12.523 1.00 35.35 C ATOM 1645 C ARG A 107 -10.124 -3.614 -13.144 1.00 52.51 C ATOM 1646 O ARG A 107 -11.036 -3.284 -13.900 1.00 23.23 O ATOM 1647 CB ARG A 107 -9.376 -5.999 -13.455 1.00 53.52 C ATOM 1648 CG ARG A 107 -7.977 -5.571 -13.874 1.00 72.22 C ATOM 1649 CD ARG A 107 -7.273 -6.657 -14.668 1.00 14.10 C ATOM 1650 NE ARG A 107 -5.959 -6.226 -15.135 1.00 34.11 N ATOM 1651 CZ ARG A 107 -4.872 -6.991 -15.114 1.00 22.30 C ATOM 1652 NH1 ARG A 107 -4.921 -8.217 -14.609 1.00 21.32 N ATOM 1653 NH2 ARG A 107 -3.727 -6.534 -15.596 1.00 13.43 N ATOM 0 H ARG A 107 -11.708 -6.306 -12.748 1.00 73.54 H new ATOM 0 HA ARG A 107 -9.516 -4.945 -11.593 1.00 35.35 H new ATOM 0 HB2 ARG A 107 -9.314 -6.968 -12.959 1.00 53.52 H new ATOM 0 HB3 ARG A 107 -9.985 -6.137 -14.349 1.00 53.52 H new ATOM 0 HG2 ARG A 107 -8.038 -4.663 -14.474 1.00 72.22 H new ATOM 0 HG3 ARG A 107 -7.390 -5.329 -12.988 1.00 72.22 H new ATOM 0 HD2 ARG A 107 -7.164 -7.547 -14.048 1.00 14.10 H new ATOM 0 HD3 ARG A 107 -7.888 -6.938 -15.523 1.00 14.10 H new ATOM 0 HE ARG A 107 -5.869 -5.278 -15.501 1.00 34.11 H new ATOM 0 HH11 ARG A 107 -5.797 -8.579 -14.233 1.00 21.32 H new ATOM 0 HH12 ARG A 107 -4.082 -8.797 -14.597 1.00 21.32 H new ATOM 0 HH21 ARG A 107 -3.677 -5.592 -15.985 1.00 13.43 H new ATOM 0 HH22 ARG A 107 -2.895 -7.123 -15.578 1.00 13.43 H new ATOM 1667 N GLY A 108 -9.138 -2.800 -12.810 1.00 34.21 N ATOM 1668 CA GLY A 108 -9.125 -1.427 -13.261 1.00 21.20 C ATOM 1669 C GLY A 108 -9.074 -0.480 -12.089 1.00 30.42 C ATOM 1670 O GLY A 108 -8.396 0.542 -12.130 1.00 64.02 O ATOM 0 H GLY A 108 -8.342 -3.067 -12.231 1.00 34.21 H new ATOM 0 HA2 GLY A 108 -8.263 -1.260 -13.907 1.00 21.20 H new ATOM 0 HA3 GLY A 108 -10.015 -1.227 -13.858 1.00 21.20 H new ATOM 1674 N ILE A 109 -9.796 -0.837 -11.034 1.00 22.32 N ATOM 1675 CA ILE A 109 -9.757 -0.090 -9.787 1.00 34.21 C ATOM 1676 C ILE A 109 -8.436 -0.359 -9.085 1.00 73.42 C ATOM 1677 O ILE A 109 -7.815 0.532 -8.507 1.00 25.22 O ATOM 1678 CB ILE A 109 -10.920 -0.499 -8.861 1.00 53.42 C ATOM 1679 CG1 ILE A 109 -12.234 -0.534 -9.642 1.00 2.43 C ATOM 1680 CG2 ILE A 109 -11.023 0.465 -7.689 1.00 13.42 C ATOM 1681 CD1 ILE A 109 -13.371 -1.173 -8.878 1.00 71.31 C ATOM 0 H ILE A 109 -10.419 -1.645 -11.020 1.00 22.32 H new ATOM 0 HA ILE A 109 -9.855 0.972 -10.015 1.00 34.21 H new ATOM 0 HB ILE A 109 -10.723 -1.498 -8.472 1.00 53.42 H new ATOM 0 HG12 ILE A 109 -12.515 0.484 -9.912 1.00 2.43 H new ATOM 0 HG13 ILE A 109 -12.080 -1.080 -10.573 1.00 2.43 H new ATOM 0 HG21 ILE A 109 -11.848 0.165 -7.043 1.00 13.42 H new ATOM 0 HG22 ILE A 109 -10.093 0.448 -7.121 1.00 13.42 H new ATOM 0 HG23 ILE A 109 -11.202 1.473 -8.062 1.00 13.42 H new ATOM 0 HD11 ILE A 109 -14.272 -1.164 -9.491 1.00 71.31 H new ATOM 0 HD12 ILE A 109 -13.110 -2.202 -8.631 1.00 71.31 H new ATOM 0 HD13 ILE A 109 -13.552 -0.614 -7.960 1.00 71.31 H new ATOM 1693 N TYR A 110 -8.004 -1.604 -9.154 1.00 2.33 N ATOM 1694 CA TYR A 110 -6.703 -1.972 -8.643 1.00 44.31 C ATOM 1695 C TYR A 110 -5.749 -2.171 -9.811 1.00 12.13 C ATOM 1696 O TYR A 110 -6.155 -2.634 -10.881 1.00 61.25 O ATOM 1697 CB TYR A 110 -6.788 -3.248 -7.793 1.00 30.04 C ATOM 1698 CG TYR A 110 -7.073 -4.508 -8.584 1.00 35.33 C ATOM 1699 CD1 TYR A 110 -8.369 -4.845 -8.953 1.00 64.53 C ATOM 1700 CD2 TYR A 110 -6.041 -5.359 -8.964 1.00 52.43 C ATOM 1701 CE1 TYR A 110 -8.628 -5.993 -9.677 1.00 35.04 C ATOM 1702 CE2 TYR A 110 -6.293 -6.508 -9.688 1.00 41.22 C ATOM 1703 CZ TYR A 110 -7.587 -6.820 -10.043 1.00 41.44 C ATOM 1704 OH TYR A 110 -7.843 -7.961 -10.769 1.00 44.42 O ATOM 0 H TYR A 110 -8.536 -2.374 -9.559 1.00 2.33 H new ATOM 0 HA TYR A 110 -6.332 -1.173 -8.001 1.00 44.31 H new ATOM 0 HB2 TYR A 110 -5.848 -3.375 -7.256 1.00 30.04 H new ATOM 0 HB3 TYR A 110 -7.569 -3.120 -7.043 1.00 30.04 H new ATOM 0 HD1 TYR A 110 -9.187 -4.200 -8.670 1.00 64.53 H new ATOM 0 HD2 TYR A 110 -5.025 -5.117 -8.688 1.00 52.43 H new ATOM 0 HE1 TYR A 110 -9.642 -6.242 -9.955 1.00 35.04 H new ATOM 0 HE2 TYR A 110 -5.480 -7.158 -9.974 1.00 41.22 H new ATOM 0 HH TYR A 110 -7.002 -8.432 -10.946 1.00 44.42 H new ATOM 1714 N SER A 111 -4.494 -1.818 -9.605 1.00 3.03 N ATOM 1715 CA SER A 111 -3.474 -1.978 -10.623 1.00 23.42 C ATOM 1716 C SER A 111 -2.107 -1.986 -9.967 1.00 23.21 C ATOM 1717 O SER A 111 -1.877 -1.247 -9.010 1.00 21.52 O ATOM 1718 CB SER A 111 -3.574 -0.856 -11.662 1.00 23.21 C ATOM 1719 OG SER A 111 -3.590 0.425 -11.047 1.00 60.34 O ATOM 0 H SER A 111 -4.155 -1.414 -8.732 1.00 3.03 H new ATOM 0 HA SER A 111 -3.624 -2.926 -11.140 1.00 23.42 H new ATOM 0 HB2 SER A 111 -2.731 -0.920 -12.350 1.00 23.21 H new ATOM 0 HB3 SER A 111 -4.479 -0.987 -12.255 1.00 23.21 H new ATOM 0 HG SER A 111 -3.653 1.118 -11.737 1.00 60.34 H new ATOM 1725 N PHE A 112 -1.210 -2.820 -10.463 1.00 23.21 N ATOM 1726 CA PHE A 112 0.105 -2.937 -9.866 1.00 75.04 C ATOM 1727 C PHE A 112 1.124 -2.171 -10.696 1.00 64.31 C ATOM 1728 O PHE A 112 1.133 -2.258 -11.926 1.00 11.51 O ATOM 1729 CB PHE A 112 0.516 -4.409 -9.759 1.00 74.41 C ATOM 1730 CG PHE A 112 -0.486 -5.274 -9.041 1.00 24.10 C ATOM 1731 CD1 PHE A 112 -0.555 -5.278 -7.659 1.00 20.44 C ATOM 1732 CD2 PHE A 112 -1.356 -6.086 -9.754 1.00 3.34 C ATOM 1733 CE1 PHE A 112 -1.473 -6.073 -6.998 1.00 41.13 C ATOM 1734 CE2 PHE A 112 -2.277 -6.881 -9.098 1.00 52.13 C ATOM 1735 CZ PHE A 112 -2.334 -6.875 -7.719 1.00 44.23 C ATOM 0 H PHE A 112 -1.368 -3.421 -11.272 1.00 23.21 H new ATOM 0 HA PHE A 112 0.070 -2.512 -8.863 1.00 75.04 H new ATOM 0 HB2 PHE A 112 0.671 -4.806 -10.762 1.00 74.41 H new ATOM 0 HB3 PHE A 112 1.473 -4.472 -9.240 1.00 74.41 H new ATOM 0 HD1 PHE A 112 0.116 -4.652 -7.090 1.00 20.44 H new ATOM 0 HD2 PHE A 112 -1.313 -6.097 -10.833 1.00 3.34 H new ATOM 0 HE1 PHE A 112 -1.516 -6.066 -5.919 1.00 41.13 H new ATOM 0 HE2 PHE A 112 -2.951 -7.506 -9.664 1.00 52.13 H new ATOM 0 HZ PHE A 112 -3.052 -7.497 -7.205 1.00 44.23 H new ATOM 1745 N GLU A 113 1.991 -1.440 -10.022 1.00 2.33 N ATOM 1746 CA GLU A 113 2.980 -0.623 -10.696 1.00 12.10 C ATOM 1747 C GLU A 113 4.321 -0.744 -9.983 1.00 21.22 C ATOM 1748 O GLU A 113 4.377 -0.814 -8.754 1.00 35.04 O ATOM 1749 CB GLU A 113 2.520 0.840 -10.728 1.00 34.21 C ATOM 1750 CG GLU A 113 3.239 1.687 -11.765 1.00 34.22 C ATOM 1751 CD GLU A 113 2.861 3.153 -11.691 1.00 31.11 C ATOM 1752 OE1 GLU A 113 1.651 3.469 -11.716 1.00 64.40 O ATOM 1753 OE2 GLU A 113 3.776 3.999 -11.601 1.00 43.11 O ATOM 0 H GLU A 113 2.030 -1.396 -9.004 1.00 2.33 H new ATOM 0 HA GLU A 113 3.095 -0.972 -11.722 1.00 12.10 H new ATOM 0 HB2 GLU A 113 1.449 0.870 -10.928 1.00 34.21 H new ATOM 0 HB3 GLU A 113 2.673 1.281 -9.743 1.00 34.21 H new ATOM 0 HG2 GLU A 113 4.315 1.587 -11.626 1.00 34.22 H new ATOM 0 HG3 GLU A 113 3.009 1.307 -12.760 1.00 34.22 H new ATOM 1760 N LYS A 114 5.397 -0.801 -10.754 1.00 1.43 N ATOM 1761 CA LYS A 114 6.728 -0.876 -10.185 1.00 64.42 C ATOM 1762 C LYS A 114 7.256 0.511 -9.849 1.00 21.43 C ATOM 1763 O LYS A 114 7.236 1.416 -10.687 1.00 74.32 O ATOM 1764 CB LYS A 114 7.668 -1.598 -11.129 1.00 34.42 C ATOM 1765 CG LYS A 114 7.441 -1.225 -12.559 1.00 54.33 C ATOM 1766 CD LYS A 114 8.157 -2.154 -13.500 1.00 64.40 C ATOM 1767 CE LYS A 114 7.543 -2.016 -14.859 1.00 24.31 C ATOM 1768 NZ LYS A 114 8.333 -2.696 -15.917 1.00 61.33 N ATOM 0 H LYS A 114 5.371 -0.797 -11.774 1.00 1.43 H new ATOM 0 HA LYS A 114 6.671 -1.445 -9.257 1.00 64.42 H new ATOM 0 HB2 LYS A 114 8.698 -1.369 -10.856 1.00 34.42 H new ATOM 0 HB3 LYS A 114 7.539 -2.674 -11.013 1.00 34.42 H new ATOM 0 HG2 LYS A 114 6.373 -1.243 -12.774 1.00 54.33 H new ATOM 0 HG3 LYS A 114 7.783 -0.204 -12.727 1.00 54.33 H new ATOM 0 HD2 LYS A 114 9.219 -1.911 -13.537 1.00 64.40 H new ATOM 0 HD3 LYS A 114 8.077 -3.183 -13.151 1.00 64.40 H new ATOM 0 HE2 LYS A 114 6.535 -2.430 -14.841 1.00 24.31 H new ATOM 0 HE3 LYS A 114 7.449 -0.958 -15.105 1.00 24.31 H new ATOM 0 HZ1 LYS A 114 7.864 -2.569 -16.836 1.00 61.33 H new ATOM 0 HZ2 LYS A 114 9.287 -2.285 -15.956 1.00 61.33 H new ATOM 0 HZ3 LYS A 114 8.402 -3.711 -15.701 1.00 61.33 H new ATOM 1782 N VAL A 115 7.711 0.683 -8.619 1.00 21.03 N ATOM 1783 CA VAL A 115 8.234 1.964 -8.178 1.00 62.42 C ATOM 1784 C VAL A 115 9.580 1.787 -7.477 1.00 25.43 C ATOM 1785 O VAL A 115 9.672 1.181 -6.411 1.00 25.02 O ATOM 1786 CB VAL A 115 7.228 2.706 -7.257 1.00 20.02 C ATOM 1787 CG1 VAL A 115 6.793 1.834 -6.085 1.00 71.11 C ATOM 1788 CG2 VAL A 115 7.815 4.021 -6.761 1.00 14.04 C ATOM 0 H VAL A 115 7.729 -0.049 -7.909 1.00 21.03 H new ATOM 0 HA VAL A 115 8.385 2.580 -9.064 1.00 62.42 H new ATOM 0 HB VAL A 115 6.341 2.927 -7.851 1.00 20.02 H new ATOM 0 HG11 VAL A 115 6.089 2.386 -5.462 1.00 71.11 H new ATOM 0 HG12 VAL A 115 6.313 0.931 -6.462 1.00 71.11 H new ATOM 0 HG13 VAL A 115 7.665 1.560 -5.492 1.00 71.11 H new ATOM 0 HG21 VAL A 115 7.092 4.523 -6.118 1.00 14.04 H new ATOM 0 HG22 VAL A 115 8.726 3.823 -6.197 1.00 14.04 H new ATOM 0 HG23 VAL A 115 8.047 4.660 -7.613 1.00 14.04 H new ATOM 1798 N LYS A 116 10.628 2.289 -8.112 1.00 22.05 N ATOM 1799 CA LYS A 116 11.965 2.252 -7.541 1.00 0.02 C ATOM 1800 C LYS A 116 12.766 3.413 -8.110 1.00 11.40 C ATOM 1801 O LYS A 116 13.306 3.327 -9.213 1.00 1.31 O ATOM 1802 CB LYS A 116 12.652 0.917 -7.861 1.00 24.03 C ATOM 1803 CG LYS A 116 13.622 0.431 -6.787 1.00 63.23 C ATOM 1804 CD LYS A 116 14.783 1.391 -6.574 1.00 52.15 C ATOM 1805 CE LYS A 116 15.752 0.860 -5.532 1.00 42.35 C ATOM 1806 NZ LYS A 116 16.842 1.825 -5.230 1.00 35.14 N ATOM 0 H LYS A 116 10.577 2.730 -9.030 1.00 22.05 H new ATOM 0 HA LYS A 116 11.904 2.342 -6.456 1.00 0.02 H new ATOM 0 HB2 LYS A 116 11.886 0.156 -8.013 1.00 24.03 H new ATOM 0 HB3 LYS A 116 13.192 1.017 -8.802 1.00 24.03 H new ATOM 0 HG2 LYS A 116 13.084 0.302 -5.848 1.00 63.23 H new ATOM 0 HG3 LYS A 116 14.011 -0.548 -7.069 1.00 63.23 H new ATOM 0 HD2 LYS A 116 15.308 1.546 -7.517 1.00 52.15 H new ATOM 0 HD3 LYS A 116 14.402 2.362 -6.258 1.00 52.15 H new ATOM 0 HE2 LYS A 116 15.207 0.632 -4.616 1.00 42.35 H new ATOM 0 HE3 LYS A 116 16.186 -0.075 -5.886 1.00 42.35 H new ATOM 0 HZ1 LYS A 116 17.477 1.418 -4.514 1.00 35.14 H new ATOM 0 HZ2 LYS A 116 17.380 2.024 -6.098 1.00 35.14 H new ATOM 0 HZ3 LYS A 116 16.432 2.709 -4.867 1.00 35.14 H new ATOM 1820 N ALA A 117 12.802 4.510 -7.372 1.00 43.43 N ATOM 1821 CA ALA A 117 13.463 5.715 -7.836 1.00 23.31 C ATOM 1822 C ALA A 117 13.893 6.579 -6.662 1.00 54.33 C ATOM 1823 O ALA A 117 13.362 6.448 -5.560 1.00 64.01 O ATOM 1824 CB ALA A 117 12.528 6.500 -8.749 1.00 21.24 C ATOM 0 H ALA A 117 12.380 4.589 -6.447 1.00 43.43 H new ATOM 0 HA ALA A 117 14.354 5.429 -8.395 1.00 23.31 H new ATOM 0 HB1 ALA A 117 13.030 7.404 -9.094 1.00 21.24 H new ATOM 0 HB2 ALA A 117 12.257 5.885 -9.607 1.00 21.24 H new ATOM 0 HB3 ALA A 117 11.627 6.773 -8.199 1.00 21.24 H new ATOM 1830 N HIS A 118 14.860 7.455 -6.903 1.00 24.14 N ATOM 1831 CA HIS A 118 15.266 8.433 -5.901 1.00 71.12 C ATOM 1832 C HIS A 118 14.478 9.718 -6.118 1.00 61.45 C ATOM 1833 O HIS A 118 14.369 10.561 -5.228 1.00 72.22 O ATOM 1834 CB HIS A 118 16.778 8.713 -5.955 1.00 51.13 C ATOM 1835 CG HIS A 118 17.242 9.435 -7.191 1.00 64.51 C ATOM 1836 ND1 HIS A 118 17.268 10.809 -7.294 1.00 14.20 N ATOM 1837 CD2 HIS A 118 17.692 8.967 -8.379 1.00 34.43 C ATOM 1838 CE1 HIS A 118 17.709 11.151 -8.488 1.00 52.05 C ATOM 1839 NE2 HIS A 118 17.974 10.052 -9.165 1.00 54.32 N ATOM 0 H HIS A 118 15.377 7.509 -7.781 1.00 24.14 H new ATOM 0 HA HIS A 118 15.052 8.027 -4.912 1.00 71.12 H new ATOM 0 HB2 HIS A 118 17.056 9.302 -5.081 1.00 51.13 H new ATOM 0 HB3 HIS A 118 17.312 7.765 -5.883 1.00 51.13 H new ATOM 0 HD2 HIS A 118 17.807 7.929 -8.656 1.00 34.43 H new ATOM 0 HE1 HIS A 118 17.832 12.161 -8.850 1.00 52.05 H new ATOM 0 HE2 HIS A 118 18.331 10.016 -10.120 1.00 54.32 H new ATOM 1848 N SER A 119 13.909 9.836 -7.311 1.00 11.15 N ATOM 1849 CA SER A 119 13.140 11.009 -7.705 1.00 43.10 C ATOM 1850 C SER A 119 11.704 10.926 -7.184 1.00 33.13 C ATOM 1851 O SER A 119 10.765 11.378 -7.838 1.00 31.54 O ATOM 1852 CB SER A 119 13.143 11.112 -9.228 1.00 50.15 C ATOM 1853 OG SER A 119 14.465 10.990 -9.732 1.00 11.40 O ATOM 0 H SER A 119 13.968 9.119 -8.034 1.00 11.15 H new ATOM 0 HA SER A 119 13.599 11.897 -7.271 1.00 43.10 H new ATOM 0 HB2 SER A 119 12.512 10.331 -9.652 1.00 50.15 H new ATOM 0 HB3 SER A 119 12.717 12.067 -9.535 1.00 50.15 H new ATOM 0 HG SER A 119 14.450 11.057 -10.710 1.00 11.40 H new ATOM 1859 N GLY A 120 11.548 10.359 -5.994 1.00 13.21 N ATOM 1860 CA GLY A 120 10.254 10.224 -5.397 1.00 10.43 C ATOM 1861 C GLY A 120 9.658 11.564 -5.052 1.00 22.04 C ATOM 1862 O GLY A 120 10.369 12.500 -4.675 1.00 5.31 O ATOM 0 H GLY A 120 12.314 9.988 -5.432 1.00 13.21 H new ATOM 0 HA2 GLY A 120 9.590 9.696 -6.082 1.00 10.43 H new ATOM 0 HA3 GLY A 120 10.331 9.617 -4.495 1.00 10.43 H new ATOM 1866 N ASN A 121 8.358 11.646 -5.197 1.00 21.51 N ATOM 1867 CA ASN A 121 7.611 12.866 -4.905 1.00 73.11 C ATOM 1868 C ASN A 121 7.623 13.181 -3.414 1.00 10.55 C ATOM 1869 O ASN A 121 8.153 12.408 -2.610 1.00 71.42 O ATOM 1870 CB ASN A 121 6.166 12.746 -5.397 1.00 44.52 C ATOM 1871 CG ASN A 121 6.052 12.777 -6.910 1.00 22.02 C ATOM 1872 OD1 ASN A 121 6.940 12.317 -7.627 1.00 13.34 O ATOM 1873 ND2 ASN A 121 4.956 13.324 -7.405 1.00 65.21 N ATOM 0 H ASN A 121 7.778 10.872 -5.521 1.00 21.51 H new ATOM 0 HA ASN A 121 8.101 13.684 -5.433 1.00 73.11 H new ATOM 0 HB2 ASN A 121 5.737 11.816 -5.024 1.00 44.52 H new ATOM 0 HB3 ASN A 121 5.576 13.560 -4.977 1.00 44.52 H new ATOM 0 HD21 ASN A 121 4.823 13.376 -8.415 1.00 65.21 H new ATOM 0 HD22 ASN A 121 4.243 13.694 -6.777 1.00 65.21 H new ATOM 1880 N GLU A 122 7.018 14.312 -3.056 1.00 45.22 N ATOM 1881 CA GLU A 122 7.006 14.799 -1.675 1.00 31.14 C ATOM 1882 C GLU A 122 6.594 13.717 -0.685 1.00 12.14 C ATOM 1883 O GLU A 122 7.247 13.510 0.335 1.00 74.35 O ATOM 1884 CB GLU A 122 6.045 15.977 -1.536 1.00 13.31 C ATOM 1885 CG GLU A 122 6.336 17.123 -2.481 1.00 13.40 C ATOM 1886 CD GLU A 122 5.430 18.307 -2.233 1.00 5.41 C ATOM 1887 OE1 GLU A 122 4.320 18.346 -2.802 1.00 75.13 O ATOM 1888 OE2 GLU A 122 5.823 19.204 -1.457 1.00 54.25 O ATOM 0 H GLU A 122 6.523 14.916 -3.712 1.00 45.22 H new ATOM 0 HA GLU A 122 8.025 15.109 -1.444 1.00 31.14 H new ATOM 0 HB2 GLU A 122 5.028 15.626 -1.710 1.00 13.31 H new ATOM 0 HB3 GLU A 122 6.084 16.346 -0.511 1.00 13.31 H new ATOM 0 HG2 GLU A 122 7.375 17.432 -2.367 1.00 13.40 H new ATOM 0 HG3 GLU A 122 6.215 16.784 -3.510 1.00 13.40 H new ATOM 1895 N PHE A 123 5.520 13.022 -1.007 1.00 60.11 N ATOM 1896 CA PHE A 123 4.935 12.039 -0.105 1.00 65.45 C ATOM 1897 C PHE A 123 5.885 10.869 0.138 1.00 40.33 C ATOM 1898 O PHE A 123 5.840 10.232 1.191 1.00 63.44 O ATOM 1899 CB PHE A 123 3.605 11.548 -0.671 1.00 72.44 C ATOM 1900 CG PHE A 123 2.674 12.669 -1.035 1.00 72.50 C ATOM 1901 CD1 PHE A 123 2.062 13.426 -0.050 1.00 32.13 C ATOM 1902 CD2 PHE A 123 2.419 12.972 -2.364 1.00 72.13 C ATOM 1903 CE1 PHE A 123 1.214 14.465 -0.382 1.00 64.35 C ATOM 1904 CE2 PHE A 123 1.571 14.009 -2.701 1.00 14.33 C ATOM 1905 CZ PHE A 123 0.969 14.756 -1.708 1.00 32.42 C ATOM 0 H PHE A 123 5.028 13.119 -1.895 1.00 60.11 H new ATOM 0 HA PHE A 123 4.758 12.518 0.858 1.00 65.45 H new ATOM 0 HB2 PHE A 123 3.795 10.939 -1.555 1.00 72.44 H new ATOM 0 HB3 PHE A 123 3.120 10.903 0.062 1.00 72.44 H new ATOM 0 HD1 PHE A 123 2.250 13.202 0.990 1.00 32.13 H new ATOM 0 HD2 PHE A 123 2.888 12.391 -3.144 1.00 72.13 H new ATOM 0 HE1 PHE A 123 0.744 15.049 0.396 1.00 64.35 H new ATOM 0 HE2 PHE A 123 1.379 14.235 -3.739 1.00 14.33 H new ATOM 0 HZ PHE A 123 0.306 15.568 -1.969 1.00 32.42 H new ATOM 1915 N ASN A 124 6.761 10.606 -0.825 1.00 50.14 N ATOM 1916 CA ASN A 124 7.735 9.526 -0.694 1.00 15.21 C ATOM 1917 C ASN A 124 8.785 9.913 0.342 1.00 54.22 C ATOM 1918 O ASN A 124 9.156 9.109 1.191 1.00 43.34 O ATOM 1919 CB ASN A 124 8.401 9.236 -2.048 1.00 10.14 C ATOM 1920 CG ASN A 124 9.123 7.892 -2.110 1.00 0.20 C ATOM 1921 OD1 ASN A 124 9.150 7.254 -3.161 1.00 73.15 O ATOM 1922 ND2 ASN A 124 9.712 7.453 -1.006 1.00 24.12 N ATOM 0 H ASN A 124 6.818 11.123 -1.702 1.00 50.14 H new ATOM 0 HA ASN A 124 7.223 8.621 -0.366 1.00 15.21 H new ATOM 0 HB2 ASN A 124 7.641 9.265 -2.829 1.00 10.14 H new ATOM 0 HB3 ASN A 124 9.114 10.030 -2.268 1.00 10.14 H new ATOM 0 HD21 ASN A 124 10.207 6.561 -1.012 1.00 24.12 H new ATOM 0 HD22 ASN A 124 9.670 8.007 -0.151 1.00 24.12 H new ATOM 1929 N ASP A 125 9.243 11.158 0.278 1.00 64.00 N ATOM 1930 CA ASP A 125 10.230 11.662 1.232 1.00 73.14 C ATOM 1931 C ASP A 125 9.575 11.895 2.591 1.00 62.21 C ATOM 1932 O ASP A 125 10.213 11.780 3.638 1.00 14.25 O ATOM 1933 CB ASP A 125 10.863 12.955 0.709 1.00 52.51 C ATOM 1934 CG ASP A 125 11.898 13.528 1.658 1.00 61.20 C ATOM 1935 OD1 ASP A 125 13.016 12.972 1.738 1.00 14.22 O ATOM 1936 OD2 ASP A 125 11.607 14.551 2.315 1.00 34.23 O ATOM 0 H ASP A 125 8.948 11.838 -0.423 1.00 64.00 H new ATOM 0 HA ASP A 125 11.018 10.918 1.350 1.00 73.14 H new ATOM 0 HB2 ASP A 125 11.330 12.761 -0.257 1.00 52.51 H new ATOM 0 HB3 ASP A 125 10.081 13.695 0.542 1.00 52.51 H new ATOM 1941 N TYR A 126 8.287 12.206 2.558 1.00 41.54 N ATOM 1942 CA TYR A 126 7.504 12.398 3.769 1.00 60.12 C ATOM 1943 C TYR A 126 7.448 11.109 4.589 1.00 72.34 C ATOM 1944 O TYR A 126 7.703 11.118 5.793 1.00 71.34 O ATOM 1945 CB TYR A 126 6.090 12.867 3.407 1.00 45.55 C ATOM 1946 CG TYR A 126 5.174 13.064 4.594 1.00 72.20 C ATOM 1947 CD1 TYR A 126 5.372 14.112 5.487 1.00 63.44 C ATOM 1948 CD2 TYR A 126 4.108 12.204 4.818 1.00 21.12 C ATOM 1949 CE1 TYR A 126 4.532 14.292 6.570 1.00 20.45 C ATOM 1950 CE2 TYR A 126 3.264 12.380 5.895 1.00 44.14 C ATOM 1951 CZ TYR A 126 3.479 13.423 6.768 1.00 35.32 C ATOM 1952 OH TYR A 126 2.637 13.600 7.840 1.00 24.23 O ATOM 0 H TYR A 126 7.758 12.332 1.695 1.00 41.54 H new ATOM 0 HA TYR A 126 7.985 13.164 4.378 1.00 60.12 H new ATOM 0 HB2 TYR A 126 6.161 13.806 2.859 1.00 45.55 H new ATOM 0 HB3 TYR A 126 5.640 12.138 2.733 1.00 45.55 H new ATOM 0 HD1 TYR A 126 6.194 14.795 5.332 1.00 63.44 H new ATOM 0 HD2 TYR A 126 3.936 11.383 4.138 1.00 21.12 H new ATOM 0 HE1 TYR A 126 4.699 15.108 7.257 1.00 20.45 H new ATOM 0 HE2 TYR A 126 2.438 11.702 6.053 1.00 44.14 H new ATOM 0 HH TYR A 126 2.334 12.727 8.166 1.00 24.23 H new ATOM 1962 N VAL A 127 7.127 9.998 3.930 1.00 42.41 N ATOM 1963 CA VAL A 127 7.068 8.710 4.609 1.00 52.54 C ATOM 1964 C VAL A 127 8.482 8.195 4.892 1.00 50.44 C ATOM 1965 O VAL A 127 8.710 7.464 5.858 1.00 72.24 O ATOM 1966 CB VAL A 127 6.260 7.665 3.797 1.00 12.00 C ATOM 1967 CG1 VAL A 127 6.979 7.266 2.517 1.00 74.33 C ATOM 1968 CG2 VAL A 127 5.949 6.445 4.647 1.00 30.24 C ATOM 0 H VAL A 127 6.906 9.965 2.935 1.00 42.41 H new ATOM 0 HA VAL A 127 6.547 8.859 5.555 1.00 52.54 H new ATOM 0 HB VAL A 127 5.318 8.132 3.508 1.00 12.00 H new ATOM 0 HG11 VAL A 127 6.380 6.533 1.977 1.00 74.33 H new ATOM 0 HG12 VAL A 127 7.125 8.147 1.892 1.00 74.33 H new ATOM 0 HG13 VAL A 127 7.948 6.832 2.764 1.00 74.33 H new ATOM 0 HG21 VAL A 127 5.382 5.725 4.057 1.00 30.24 H new ATOM 0 HG22 VAL A 127 6.880 5.987 4.981 1.00 30.24 H new ATOM 0 HG23 VAL A 127 5.362 6.746 5.514 1.00 30.24 H new ATOM 1978 N ASP A 128 9.429 8.608 4.055 1.00 74.02 N ATOM 1979 CA ASP A 128 10.843 8.300 4.260 1.00 31.14 C ATOM 1980 C ASP A 128 11.327 8.883 5.582 1.00 3.11 C ATOM 1981 O ASP A 128 11.994 8.203 6.365 1.00 24.30 O ATOM 1982 CB ASP A 128 11.674 8.855 3.095 1.00 51.21 C ATOM 1983 CG ASP A 128 13.165 8.870 3.373 1.00 44.21 C ATOM 1984 OD1 ASP A 128 13.637 9.816 4.036 1.00 4.50 O ATOM 1985 OD2 ASP A 128 13.879 7.953 2.911 1.00 72.24 O ATOM 0 H ASP A 128 9.241 9.163 3.220 1.00 74.02 H new ATOM 0 HA ASP A 128 10.966 7.218 4.296 1.00 31.14 H new ATOM 0 HB2 ASP A 128 11.484 8.256 2.205 1.00 51.21 H new ATOM 0 HB3 ASP A 128 11.343 9.870 2.873 1.00 51.21 H new ATOM 1990 N MET A 129 10.979 10.141 5.832 1.00 51.54 N ATOM 1991 CA MET A 129 11.346 10.807 7.078 1.00 24.33 C ATOM 1992 C MET A 129 10.764 10.058 8.276 1.00 33.13 C ATOM 1993 O MET A 129 11.407 9.943 9.321 1.00 34.22 O ATOM 1994 CB MET A 129 10.870 12.265 7.053 1.00 3.42 C ATOM 1995 CG MET A 129 11.279 13.081 8.273 1.00 54.23 C ATOM 1996 SD MET A 129 10.093 12.971 9.631 1.00 0.14 S ATOM 1997 CE MET A 129 8.684 13.826 8.925 1.00 34.52 C ATOM 0 H MET A 129 10.442 10.721 5.187 1.00 51.54 H new ATOM 0 HA MET A 129 12.431 10.802 7.177 1.00 24.33 H new ATOM 0 HB2 MET A 129 11.264 12.748 6.159 1.00 3.42 H new ATOM 0 HB3 MET A 129 9.783 12.278 6.970 1.00 3.42 H new ATOM 0 HG2 MET A 129 12.253 12.739 8.621 1.00 54.23 H new ATOM 0 HG3 MET A 129 11.393 14.125 7.982 1.00 54.23 H new ATOM 0 HE1 MET A 129 8.047 14.201 9.726 1.00 34.52 H new ATOM 0 HE2 MET A 129 9.032 14.661 8.318 1.00 34.52 H new ATOM 0 HE3 MET A 129 8.115 13.136 8.301 1.00 34.52 H new ATOM 2007 N LYS A 130 9.551 9.537 8.112 1.00 72.51 N ATOM 2008 CA LYS A 130 8.920 8.714 9.140 1.00 24.23 C ATOM 2009 C LYS A 130 9.743 7.455 9.402 1.00 72.52 C ATOM 2010 O LYS A 130 10.016 7.109 10.552 1.00 41.32 O ATOM 2011 CB LYS A 130 7.494 8.324 8.728 1.00 11.42 C ATOM 2012 CG LYS A 130 6.405 9.239 9.269 1.00 13.40 C ATOM 2013 CD LYS A 130 6.565 10.676 8.805 1.00 63.41 C ATOM 2014 CE LYS A 130 5.421 11.549 9.304 1.00 33.15 C ATOM 2015 NZ LYS A 130 5.284 11.512 10.785 1.00 62.42 N ATOM 0 H LYS A 130 8.984 9.671 7.275 1.00 72.51 H new ATOM 0 HA LYS A 130 8.872 9.303 10.056 1.00 24.23 H new ATOM 0 HB2 LYS A 130 7.434 8.314 7.640 1.00 11.42 H new ATOM 0 HB3 LYS A 130 7.297 7.307 9.067 1.00 11.42 H new ATOM 0 HG2 LYS A 130 5.431 8.865 8.952 1.00 13.40 H new ATOM 0 HG3 LYS A 130 6.419 9.209 10.359 1.00 13.40 H new ATOM 0 HD2 LYS A 130 7.513 11.074 9.167 1.00 63.41 H new ATOM 0 HD3 LYS A 130 6.601 10.707 7.716 1.00 63.41 H new ATOM 0 HE2 LYS A 130 5.585 12.577 8.983 1.00 33.15 H new ATOM 0 HE3 LYS A 130 4.489 11.218 8.847 1.00 33.15 H new ATOM 0 HZ1 LYS A 130 5.082 12.469 11.139 1.00 62.42 H new ATOM 0 HZ2 LYS A 130 4.505 10.874 11.046 1.00 62.42 H new ATOM 0 HZ3 LYS A 130 6.170 11.167 11.207 1.00 62.42 H new ATOM 2029 N ALA A 131 10.139 6.785 8.325 1.00 53.32 N ATOM 2030 CA ALA A 131 10.923 5.558 8.421 1.00 73.33 C ATOM 2031 C ALA A 131 12.285 5.817 9.059 1.00 33.15 C ATOM 2032 O ALA A 131 12.720 5.064 9.932 1.00 73.43 O ATOM 2033 CB ALA A 131 11.092 4.932 7.048 1.00 73.24 C ATOM 0 H ALA A 131 9.928 7.073 7.369 1.00 53.32 H new ATOM 0 HA ALA A 131 10.381 4.863 9.062 1.00 73.33 H new ATOM 0 HB1 ALA A 131 11.679 4.018 7.135 1.00 73.24 H new ATOM 0 HB2 ALA A 131 10.112 4.696 6.632 1.00 73.24 H new ATOM 0 HB3 ALA A 131 11.606 5.632 6.390 1.00 73.24 H new ATOM 2039 N LYS A 132 12.949 6.889 8.628 1.00 11.42 N ATOM 2040 CA LYS A 132 14.253 7.254 9.178 1.00 43.12 C ATOM 2041 C LYS A 132 14.167 7.496 10.681 1.00 50.43 C ATOM 2042 O LYS A 132 15.053 7.091 11.434 1.00 25.21 O ATOM 2043 CB LYS A 132 14.814 8.497 8.488 1.00 32.21 C ATOM 2044 CG LYS A 132 15.262 8.252 7.057 1.00 61.45 C ATOM 2045 CD LYS A 132 16.358 9.224 6.659 1.00 41.33 C ATOM 2046 CE LYS A 132 16.944 8.883 5.298 1.00 44.33 C ATOM 2047 NZ LYS A 132 16.180 9.497 4.183 1.00 44.31 N ATOM 0 H LYS A 132 12.606 7.518 7.902 1.00 11.42 H new ATOM 0 HA LYS A 132 14.927 6.417 8.995 1.00 43.12 H new ATOM 0 HB2 LYS A 132 14.054 9.278 8.493 1.00 32.21 H new ATOM 0 HB3 LYS A 132 15.660 8.871 9.065 1.00 32.21 H new ATOM 0 HG2 LYS A 132 15.623 7.229 6.955 1.00 61.45 H new ATOM 0 HG3 LYS A 132 14.413 8.359 6.382 1.00 61.45 H new ATOM 0 HD2 LYS A 132 15.956 10.237 6.639 1.00 41.33 H new ATOM 0 HD3 LYS A 132 17.148 9.209 7.410 1.00 41.33 H new ATOM 0 HE2 LYS A 132 17.979 9.222 5.256 1.00 44.33 H new ATOM 0 HE3 LYS A 132 16.958 7.800 5.172 1.00 44.33 H new ATOM 0 HZ1 LYS A 132 16.193 8.860 3.361 1.00 44.31 H new ATOM 0 HZ2 LYS A 132 15.197 9.656 4.482 1.00 44.31 H new ATOM 0 HZ3 LYS A 132 16.614 10.406 3.924 1.00 44.31 H new ATOM 2061 N SER A 133 13.082 8.135 11.112 1.00 14.44 N ATOM 2062 CA SER A 133 12.878 8.449 12.521 1.00 11.22 C ATOM 2063 C SER A 133 12.823 7.177 13.371 1.00 2.44 C ATOM 2064 O SER A 133 13.221 7.179 14.535 1.00 40.32 O ATOM 2065 CB SER A 133 11.589 9.257 12.697 1.00 62.03 C ATOM 2066 OG SER A 133 11.632 10.464 11.945 1.00 51.40 O ATOM 0 H SER A 133 12.327 8.446 10.500 1.00 14.44 H new ATOM 0 HA SER A 133 13.725 9.045 12.861 1.00 11.22 H new ATOM 0 HB2 SER A 133 10.735 8.658 12.380 1.00 62.03 H new ATOM 0 HB3 SER A 133 11.442 9.488 13.752 1.00 62.03 H new ATOM 0 HG SER A 133 11.776 10.255 10.998 1.00 51.40 H new ATOM 2072 N ALA A 134 12.338 6.089 12.781 1.00 61.02 N ATOM 2073 CA ALA A 134 12.255 4.810 13.476 1.00 13.52 C ATOM 2074 C ALA A 134 13.620 4.125 13.541 1.00 21.03 C ATOM 2075 O ALA A 134 13.836 3.219 14.350 1.00 2.41 O ATOM 2076 CB ALA A 134 11.237 3.907 12.798 1.00 51.23 C ATOM 0 H ALA A 134 11.996 6.068 11.820 1.00 61.02 H new ATOM 0 HA ALA A 134 11.929 5.001 14.498 1.00 13.52 H new ATOM 0 HB1 ALA A 134 11.185 2.955 13.327 1.00 51.23 H new ATOM 0 HB2 ALA A 134 10.258 4.385 12.815 1.00 51.23 H new ATOM 0 HB3 ALA A 134 11.537 3.732 11.765 1.00 51.23 H new ATOM 2082 N LEU A 135 14.538 4.564 12.691 1.00 1.31 N ATOM 2083 CA LEU A 135 15.871 3.977 12.625 1.00 53.54 C ATOM 2084 C LEU A 135 16.850 4.751 13.495 1.00 72.54 C ATOM 2085 O LEU A 135 17.926 4.256 13.833 1.00 64.44 O ATOM 2086 CB LEU A 135 16.375 3.964 11.178 1.00 24.44 C ATOM 2087 CG LEU A 135 15.614 3.044 10.224 1.00 42.03 C ATOM 2088 CD1 LEU A 135 16.079 3.261 8.793 1.00 42.53 C ATOM 2089 CD2 LEU A 135 15.807 1.595 10.630 1.00 54.44 C ATOM 0 H LEU A 135 14.384 5.329 12.034 1.00 1.31 H new ATOM 0 HA LEU A 135 15.805 2.954 12.996 1.00 53.54 H new ATOM 0 HB2 LEU A 135 16.331 4.981 10.787 1.00 24.44 H new ATOM 0 HB3 LEU A 135 17.424 3.669 11.180 1.00 24.44 H new ATOM 0 HG LEU A 135 14.552 3.284 10.280 1.00 42.03 H new ATOM 0 HD11 LEU A 135 15.527 2.598 8.127 1.00 42.53 H new ATOM 0 HD12 LEU A 135 15.899 4.297 8.505 1.00 42.53 H new ATOM 0 HD13 LEU A 135 17.145 3.044 8.720 1.00 42.53 H new ATOM 0 HD21 LEU A 135 15.260 0.949 9.943 1.00 54.44 H new ATOM 0 HD22 LEU A 135 16.868 1.346 10.596 1.00 54.44 H new ATOM 0 HD23 LEU A 135 15.432 1.448 11.643 1.00 54.44 H new ATOM 2101 N GLY A 136 16.473 5.969 13.856 1.00 72.03 N ATOM 2102 CA GLY A 136 17.359 6.821 14.623 1.00 63.35 C ATOM 2103 C GLY A 136 18.140 7.755 13.726 1.00 73.22 C ATOM 2104 O GLY A 136 18.851 8.650 14.192 1.00 1.42 O ATOM 0 H GLY A 136 15.568 6.383 13.631 1.00 72.03 H new ATOM 0 HA2 GLY A 136 16.778 7.403 15.338 1.00 63.35 H new ATOM 0 HA3 GLY A 136 18.050 6.205 15.199 1.00 63.35 H new ATOM 2108 N ILE A 137 18.004 7.539 12.425 1.00 13.22 N ATOM 2109 CA ILE A 137 18.646 8.383 11.435 1.00 22.31 C ATOM 2110 C ILE A 137 17.798 9.625 11.215 1.00 52.20 C ATOM 2111 O ILE A 137 16.597 9.518 10.979 1.00 42.41 O ATOM 2112 CB ILE A 137 18.836 7.639 10.093 1.00 0.41 C ATOM 2113 CG1 ILE A 137 19.628 6.346 10.314 1.00 24.00 C ATOM 2114 CG2 ILE A 137 19.540 8.534 9.079 1.00 44.35 C ATOM 2115 CD1 ILE A 137 19.798 5.512 9.062 1.00 25.34 C ATOM 0 H ILE A 137 17.449 6.779 12.031 1.00 13.22 H new ATOM 0 HA ILE A 137 19.633 8.659 11.806 1.00 22.31 H new ATOM 0 HB ILE A 137 17.855 7.382 9.695 1.00 0.41 H new ATOM 0 HG12 ILE A 137 20.613 6.597 10.709 1.00 24.00 H new ATOM 0 HG13 ILE A 137 19.124 5.747 11.073 1.00 24.00 H new ATOM 0 HG21 ILE A 137 19.665 7.993 8.141 1.00 44.35 H new ATOM 0 HG22 ILE A 137 18.941 9.428 8.905 1.00 44.35 H new ATOM 0 HG23 ILE A 137 20.518 8.822 9.465 1.00 44.35 H new ATOM 0 HD11 ILE A 137 20.368 4.614 9.298 1.00 25.34 H new ATOM 0 HD12 ILE A 137 18.818 5.229 8.677 1.00 25.34 H new ATOM 0 HD13 ILE A 137 20.330 6.092 8.308 1.00 25.34 H new ATOM 2127 N ARG A 138 18.427 10.795 11.302 1.00 10.20 N ATOM 2128 CA ARG A 138 17.712 12.066 11.237 1.00 22.43 C ATOM 2129 C ARG A 138 16.767 12.176 12.435 1.00 34.23 C ATOM 2130 O ARG A 138 15.566 12.411 12.301 1.00 73.44 O ATOM 2131 CB ARG A 138 16.950 12.191 9.908 1.00 3.52 C ATOM 2132 CG ARG A 138 16.285 13.541 9.696 1.00 4.13 C ATOM 2133 CD ARG A 138 15.534 13.577 8.377 1.00 71.51 C ATOM 2134 NE ARG A 138 14.798 14.826 8.190 1.00 64.44 N ATOM 2135 CZ ARG A 138 14.429 15.302 7.002 1.00 33.32 C ATOM 2136 NH1 ARG A 138 14.737 14.644 5.890 1.00 23.44 N ATOM 2137 NH2 ARG A 138 13.751 16.440 6.930 1.00 24.02 N ATOM 0 H ARG A 138 19.436 10.888 11.418 1.00 10.20 H new ATOM 0 HA ARG A 138 18.427 12.888 11.279 1.00 22.43 H new ATOM 0 HB2 ARG A 138 17.642 12.006 9.086 1.00 3.52 H new ATOM 0 HB3 ARG A 138 16.188 11.412 9.864 1.00 3.52 H new ATOM 0 HG2 ARG A 138 15.596 13.744 10.516 1.00 4.13 H new ATOM 0 HG3 ARG A 138 17.039 14.328 9.711 1.00 4.13 H new ATOM 0 HD2 ARG A 138 16.240 13.448 7.556 1.00 71.51 H new ATOM 0 HD3 ARG A 138 14.839 12.739 8.335 1.00 71.51 H new ATOM 0 HE ARG A 138 14.552 15.366 9.020 1.00 64.44 H new ATOM 0 HH11 ARG A 138 15.259 13.769 5.943 1.00 23.44 H new ATOM 0 HH12 ARG A 138 14.452 15.014 4.983 1.00 23.44 H new ATOM 0 HH21 ARG A 138 13.514 16.947 7.783 1.00 24.02 H new ATOM 0 HH22 ARG A 138 13.467 16.808 6.022 1.00 24.02 H new ATOM 2151 N ASP A 139 17.340 11.996 13.614 1.00 12.44 N ATOM 2152 CA ASP A 139 16.591 12.086 14.858 1.00 54.03 C ATOM 2153 C ASP A 139 16.767 13.474 15.457 1.00 62.44 C ATOM 2154 O ASP A 139 17.858 14.043 15.402 1.00 72.44 O ATOM 2155 CB ASP A 139 17.063 11.009 15.843 1.00 53.44 C ATOM 2156 CG ASP A 139 16.375 11.098 17.191 1.00 55.32 C ATOM 2157 OD1 ASP A 139 15.232 10.617 17.314 1.00 42.41 O ATOM 2158 OD2 ASP A 139 16.985 11.636 18.139 1.00 13.02 O ATOM 0 H ASP A 139 18.330 11.785 13.736 1.00 12.44 H new ATOM 0 HA ASP A 139 15.533 11.919 14.654 1.00 54.03 H new ATOM 0 HB2 ASP A 139 16.880 10.025 15.412 1.00 53.44 H new ATOM 0 HB3 ASP A 139 18.140 11.100 15.984 1.00 53.44 H new ATOM 2163 N LEU A 140 15.692 14.014 16.017 1.00 15.43 N ATOM 2164 CA LEU A 140 15.694 15.373 16.553 1.00 34.54 C ATOM 2165 C LEU A 140 16.728 15.541 17.667 1.00 1.12 C ATOM 2166 O LEU A 140 17.322 16.611 17.815 1.00 73.43 O ATOM 2167 CB LEU A 140 14.286 15.735 17.055 1.00 44.32 C ATOM 2168 CG LEU A 140 14.113 17.156 17.607 1.00 71.01 C ATOM 2169 CD1 LEU A 140 12.712 17.668 17.321 1.00 51.45 C ATOM 2170 CD2 LEU A 140 14.373 17.188 19.108 1.00 42.15 C ATOM 0 H LEU A 140 14.800 13.529 16.113 1.00 15.43 H new ATOM 0 HA LEU A 140 15.975 16.055 15.751 1.00 34.54 H new ATOM 0 HB2 LEU A 140 13.583 15.598 16.234 1.00 44.32 H new ATOM 0 HB3 LEU A 140 14.007 15.027 17.835 1.00 44.32 H new ATOM 0 HG LEU A 140 14.838 17.801 17.111 1.00 71.01 H new ATOM 0 HD11 LEU A 140 12.605 18.677 17.719 1.00 51.45 H new ATOM 0 HD12 LEU A 140 12.543 17.683 16.244 1.00 51.45 H new ATOM 0 HD13 LEU A 140 11.981 17.012 17.794 1.00 51.45 H new ATOM 0 HD21 LEU A 140 14.245 18.205 19.478 1.00 42.15 H new ATOM 0 HD22 LEU A 140 13.669 16.527 19.613 1.00 42.15 H new ATOM 0 HD23 LEU A 140 15.391 16.855 19.308 1.00 42.15 H new ATOM 2182 N GLU A 141 16.959 14.485 18.436 1.00 30.24 N ATOM 2183 CA GLU A 141 17.875 14.558 19.565 1.00 50.23 C ATOM 2184 C GLU A 141 19.214 13.918 19.219 1.00 25.41 C ATOM 2185 O GLU A 141 20.025 13.629 20.101 1.00 74.43 O ATOM 2186 CB GLU A 141 17.259 13.881 20.787 1.00 73.51 C ATOM 2187 CG GLU A 141 15.950 14.517 21.219 1.00 53.11 C ATOM 2188 CD GLU A 141 15.408 13.921 22.496 1.00 2.31 C ATOM 2189 OE1 GLU A 141 15.807 14.386 23.585 1.00 35.20 O ATOM 2190 OE2 GLU A 141 14.585 12.986 22.422 1.00 21.44 O ATOM 0 H GLU A 141 16.526 13.572 18.299 1.00 30.24 H new ATOM 0 HA GLU A 141 18.052 15.608 19.797 1.00 50.23 H new ATOM 0 HB2 GLU A 141 17.089 12.827 20.565 1.00 73.51 H new ATOM 0 HB3 GLU A 141 17.967 13.922 21.614 1.00 73.51 H new ATOM 0 HG2 GLU A 141 16.099 15.588 21.357 1.00 53.11 H new ATOM 0 HG3 GLU A 141 15.213 14.397 20.425 1.00 53.11 H new ATOM 2197 N HIS A 142 19.439 13.700 17.931 1.00 74.21 N ATOM 2198 CA HIS A 142 20.706 13.161 17.462 1.00 14.52 C ATOM 2199 C HIS A 142 21.651 14.310 17.147 1.00 4.33 C ATOM 2200 O HIS A 142 21.366 15.142 16.286 1.00 43.22 O ATOM 2201 CB HIS A 142 20.505 12.296 16.215 1.00 12.44 C ATOM 2202 CG HIS A 142 21.644 11.355 15.930 1.00 14.33 C ATOM 2203 ND1 HIS A 142 22.911 11.774 15.574 1.00 30.44 N ATOM 2204 CD2 HIS A 142 21.688 10.000 15.936 1.00 23.45 C ATOM 2205 CE1 HIS A 142 23.679 10.717 15.373 1.00 55.13 C ATOM 2206 NE2 HIS A 142 22.963 9.628 15.585 1.00 44.45 N ATOM 0 H HIS A 142 18.760 13.888 17.193 1.00 74.21 H new ATOM 0 HA HIS A 142 21.132 12.533 18.244 1.00 14.52 H new ATOM 0 HB2 HIS A 142 19.589 11.716 16.332 1.00 12.44 H new ATOM 0 HB3 HIS A 142 20.362 12.948 15.353 1.00 12.44 H new ATOM 0 HD1 HIS A 142 23.207 12.746 15.481 1.00 30.44 H new ATOM 0 HD2 HIS A 142 20.871 9.335 16.173 1.00 23.45 H new ATOM 0 HE1 HIS A 142 24.719 10.740 15.083 1.00 55.13 H new ATOM 2215 N HIS A 143 22.768 14.351 17.843 1.00 13.14 N ATOM 2216 CA HIS A 143 23.733 15.423 17.675 1.00 4.21 C ATOM 2217 C HIS A 143 24.480 15.270 16.358 1.00 1.44 C ATOM 2218 O HIS A 143 24.512 14.184 15.772 1.00 70.35 O ATOM 2219 CB HIS A 143 24.726 15.444 18.841 1.00 44.12 C ATOM 2220 CG HIS A 143 24.122 15.880 20.142 1.00 0.22 C ATOM 2221 ND1 HIS A 143 24.402 17.093 20.721 1.00 3.42 N ATOM 2222 CD2 HIS A 143 23.258 15.257 20.979 1.00 3.40 C ATOM 2223 CE1 HIS A 143 23.741 17.202 21.857 1.00 35.43 C ATOM 2224 NE2 HIS A 143 23.037 16.100 22.041 1.00 52.31 N ATOM 0 H HIS A 143 23.033 13.650 18.535 1.00 13.14 H new ATOM 0 HA HIS A 143 23.190 16.368 17.662 1.00 4.21 H new ATOM 0 HB2 HIS A 143 25.149 14.447 18.964 1.00 44.12 H new ATOM 0 HB3 HIS A 143 25.551 16.112 18.592 1.00 44.12 H new ATOM 0 HD2 HIS A 143 22.823 14.279 20.838 1.00 3.40 H new ATOM 0 HE1 HIS A 143 23.771 18.050 22.525 1.00 35.43 H new ATOM 0 HE2 HIS A 143 22.431 15.907 22.838 1.00 52.31 H new ATOM 2233 N HIS A 144 25.043 16.370 15.884 1.00 32.00 N ATOM 2234 CA HIS A 144 25.879 16.358 14.695 1.00 0.13 C ATOM 2235 C HIS A 144 27.345 16.365 15.097 1.00 20.30 C ATOM 2236 O HIS A 144 27.795 17.251 15.826 1.00 73.10 O ATOM 2237 CB HIS A 144 25.579 17.565 13.799 1.00 72.42 C ATOM 2238 CG HIS A 144 24.270 17.478 13.074 1.00 71.22 C ATOM 2239 ND1 HIS A 144 24.183 17.216 11.726 1.00 4.33 N ATOM 2240 CD2 HIS A 144 22.996 17.641 13.507 1.00 31.41 C ATOM 2241 CE1 HIS A 144 22.918 17.218 11.359 1.00 74.51 C ATOM 2242 NE2 HIS A 144 22.174 17.473 12.417 1.00 22.43 N ATOM 0 H HIS A 144 24.934 17.291 16.310 1.00 32.00 H new ATOM 0 HA HIS A 144 25.660 15.451 14.131 1.00 0.13 H new ATOM 0 HB2 HIS A 144 25.585 18.468 14.410 1.00 72.42 H new ATOM 0 HB3 HIS A 144 26.381 17.670 13.068 1.00 72.42 H new ATOM 0 HD2 HIS A 144 22.685 17.861 14.517 1.00 31.41 H new ATOM 0 HE1 HIS A 144 22.552 17.040 10.359 1.00 74.51 H new ATOM 0 HE2 HIS A 144 21.156 17.535 12.426 1.00 22.43 H new ATOM 2251 N HIS A 145 28.080 15.366 14.638 1.00 62.21 N ATOM 2252 CA HIS A 145 29.497 15.248 14.949 1.00 55.25 C ATOM 2253 C HIS A 145 30.298 16.307 14.199 1.00 70.31 C ATOM 2254 O HIS A 145 31.243 16.883 14.737 1.00 53.15 O ATOM 2255 CB HIS A 145 29.993 13.836 14.606 1.00 1.44 C ATOM 2256 CG HIS A 145 31.484 13.662 14.678 1.00 2.24 C ATOM 2257 ND1 HIS A 145 32.233 13.947 15.801 1.00 44.52 N ATOM 2258 CD2 HIS A 145 32.362 13.221 13.749 1.00 72.22 C ATOM 2259 CE1 HIS A 145 33.504 13.689 15.555 1.00 52.21 C ATOM 2260 NE2 HIS A 145 33.610 13.245 14.316 1.00 74.22 N ATOM 0 H HIS A 145 27.717 14.620 14.045 1.00 62.21 H new ATOM 0 HA HIS A 145 29.641 15.414 16.017 1.00 55.25 H new ATOM 0 HB2 HIS A 145 29.524 13.125 15.286 1.00 1.44 H new ATOM 0 HB3 HIS A 145 29.659 13.582 13.600 1.00 1.44 H new ATOM 0 HD2 HIS A 145 32.124 12.907 12.744 1.00 72.22 H new ATOM 0 HE1 HIS A 145 34.320 13.819 16.250 1.00 52.21 H new ATOM 0 HE2 HIS A 145 34.477 12.966 13.857 1.00 74.22 H new ATOM 2269 N HIS A 146 29.911 16.555 12.960 1.00 5.00 N ATOM 2270 CA HIS A 146 30.575 17.557 12.142 1.00 70.20 C ATOM 2271 C HIS A 146 29.869 18.900 12.289 1.00 52.41 C ATOM 2272 O HIS A 146 28.694 19.030 11.948 1.00 21.44 O ATOM 2273 CB HIS A 146 30.585 17.114 10.676 1.00 64.11 C ATOM 2274 CG HIS A 146 31.375 18.007 9.767 1.00 12.52 C ATOM 2275 ND1 HIS A 146 32.745 17.939 9.662 1.00 1.23 N ATOM 2276 CD2 HIS A 146 30.980 18.972 8.903 1.00 42.54 C ATOM 2277 CE1 HIS A 146 33.160 18.822 8.774 1.00 34.35 C ATOM 2278 NE2 HIS A 146 32.110 19.460 8.296 1.00 72.21 N ATOM 0 H HIS A 146 29.139 16.076 12.497 1.00 5.00 H new ATOM 0 HA HIS A 146 31.606 17.667 12.479 1.00 70.20 H new ATOM 0 HB2 HIS A 146 30.991 16.104 10.617 1.00 64.11 H new ATOM 0 HB3 HIS A 146 29.557 17.066 10.316 1.00 64.11 H new ATOM 0 HD2 HIS A 146 29.966 19.297 8.725 1.00 42.54 H new ATOM 0 HE1 HIS A 146 34.187 18.993 8.487 1.00 34.35 H new ATOM 0 HE2 HIS A 146 32.134 20.196 7.590 1.00 72.21 H new ATOM 2287 N HIS A 147 30.586 19.885 12.812 1.00 72.25 N ATOM 2288 CA HIS A 147 30.039 21.224 12.994 1.00 14.23 C ATOM 2289 C HIS A 147 29.876 21.920 11.647 1.00 53.03 C ATOM 2290 O HIS A 147 28.757 21.901 11.102 1.00 38.00 O ATOM 2291 CB HIS A 147 30.945 22.047 13.914 1.00 63.51 C ATOM 2292 CG HIS A 147 30.470 23.455 14.141 1.00 4.54 C ATOM 2293 ND1 HIS A 147 31.153 24.561 13.682 1.00 11.01 N ATOM 2294 CD2 HIS A 147 29.385 23.938 14.797 1.00 61.30 C ATOM 2295 CE1 HIS A 147 30.515 25.656 14.044 1.00 41.12 C ATOM 2296 NE2 HIS A 147 29.438 25.306 14.719 1.00 63.02 N ATOM 2297 OXT HIS A 147 30.872 22.468 11.137 1.00 38.00 O ATOM 0 H HIS A 147 31.553 19.782 13.119 1.00 72.25 H new ATOM 0 HA HIS A 147 29.057 21.138 13.459 1.00 14.23 H new ATOM 0 HB2 HIS A 147 31.023 21.541 14.876 1.00 63.51 H new ATOM 0 HB3 HIS A 147 31.948 22.077 13.487 1.00 63.51 H new ATOM 0 HD2 HIS A 147 28.622 23.354 15.289 1.00 61.30 H new ATOM 0 HE1 HIS A 147 30.822 26.668 13.825 1.00 41.12 H new ATOM 0 HE2 HIS A 147 28.754 25.949 15.119 1.00 63.02 H new TER 2306 HIS A 147