USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 724 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 49 ASN : amide:sc= 0.381 K(o=0.82,f=-3.7!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 146:sc= 0.444 (180deg=0.00565) USER MOD Set 2.1: A 23 SER OG : rot -106:sc= 0.342 USER MOD Set 2.2: A 26 SER OG : rot -37:sc= 0.564 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0134) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= -0.0217 (180deg=-0.0974) USER MOD Single : A 10 GLN : amide:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0.121 (180deg=0.0995) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.805 F(o=-2.9!,f=-0.81) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.0086 X(o=0.0086,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.578 F(o=-1.2,f=-0.58) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0151) USER MOD Single : A 36 GLN : amide:sc= -0.434 K(o=-0.43,f=-2.8!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 160:sc= 0.612 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc=-0.00432 K(o=-0.0043,f=-0.71) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 62 GLN : amide:sc= -0.743 K(o=-0.74,f=-4.4!) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 65 THR OG1 : rot -14:sc= 0.699 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 0.408 (180deg=0.364) USER MOD Single : A 72 THR OG1 : rot 98:sc= 0.596 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -45:sc= 0.353 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 81 HIS : no HD1:sc= 0.0247 X(o=0.025,f=-0.36) USER MOD Single : A 82 HIS : no HE2:sc= 0.444 K(o=0.44,f=-1.6!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.0452 X(o=0.045,f=-0.38) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.566 -8.688 0.856 1.00 43.02 N ATOM 2 CA MET A 1 -20.786 -7.712 1.950 1.00 2.21 C ATOM 3 C MET A 1 -19.576 -6.764 2.066 1.00 2.12 C ATOM 4 O MET A 1 -18.665 -7.035 2.847 1.00 42.33 O ATOM 5 CB MET A 1 -21.057 -8.445 3.302 1.00 22.44 C ATOM 6 CG MET A 1 -22.332 -9.295 3.316 1.00 75.11 C ATOM 7 SD MET A 1 -23.810 -8.310 2.969 1.00 75.32 S ATOM 8 CE MET A 1 -25.102 -9.556 3.042 1.00 12.24 C ATOM 0 H1 MET A 1 -21.415 -9.278 0.741 1.00 43.02 H new ATOM 0 H2 MET A 1 -20.376 -8.179 -0.031 1.00 43.02 H new ATOM 0 H3 MET A 1 -19.753 -9.293 1.089 1.00 43.02 H new ATOM 0 HA MET A 1 -21.668 -7.117 1.714 1.00 2.21 H new ATOM 0 HB2 MET A 1 -20.205 -9.085 3.531 1.00 22.44 H new ATOM 0 HB3 MET A 1 -21.121 -7.703 4.098 1.00 22.44 H new ATOM 0 HG2 MET A 1 -22.245 -10.091 2.576 1.00 75.11 H new ATOM 0 HG3 MET A 1 -22.437 -9.775 4.289 1.00 75.11 H new ATOM 0 HE1 MET A 1 -26.068 -9.090 2.847 1.00 12.24 H new ATOM 0 HE2 MET A 1 -24.911 -10.323 2.291 1.00 12.24 H new ATOM 0 HE3 MET A 1 -25.112 -10.012 4.032 1.00 12.24 H new ATOM 20 N PRO A 2 -19.506 -5.665 1.244 1.00 32.24 N ATOM 21 CA PRO A 2 -18.438 -4.650 1.388 1.00 71.53 C ATOM 22 C PRO A 2 -18.658 -3.785 2.655 1.00 53.40 C ATOM 23 O PRO A 2 -19.636 -3.039 2.751 1.00 72.12 O ATOM 24 CB PRO A 2 -18.550 -3.823 0.077 1.00 42.20 C ATOM 25 CG PRO A 2 -19.986 -3.961 -0.353 1.00 32.11 C ATOM 26 CD PRO A 2 -20.427 -5.342 0.108 1.00 54.22 C ATOM 0 HA PRO A 2 -17.445 -5.080 1.519 1.00 71.53 H new ATOM 0 HB2 PRO A 2 -18.288 -2.779 0.246 1.00 42.20 H new ATOM 0 HB3 PRO A 2 -17.872 -4.202 -0.687 1.00 42.20 H new ATOM 0 HG2 PRO A 2 -20.605 -3.183 0.095 1.00 32.11 H new ATOM 0 HG3 PRO A 2 -20.082 -3.861 -1.434 1.00 32.11 H new ATOM 0 HD2 PRO A 2 -21.469 -5.340 0.429 1.00 54.22 H new ATOM 0 HD3 PRO A 2 -20.342 -6.075 -0.694 1.00 54.22 H new ATOM 34 N SER A 3 -17.772 -3.937 3.644 1.00 2.54 N ATOM 35 CA SER A 3 -17.792 -3.141 4.889 1.00 32.04 C ATOM 36 C SER A 3 -16.549 -2.253 4.942 1.00 43.22 C ATOM 37 O SER A 3 -15.510 -2.643 4.414 1.00 11.52 O ATOM 38 CB SER A 3 -17.859 -4.077 6.112 1.00 21.24 C ATOM 39 OG SER A 3 -19.048 -4.854 6.080 1.00 73.12 O ATOM 0 H SER A 3 -17.014 -4.618 3.609 1.00 2.54 H new ATOM 0 HA SER A 3 -18.676 -2.504 4.905 1.00 32.04 H new ATOM 0 HB2 SER A 3 -16.989 -4.733 6.123 1.00 21.24 H new ATOM 0 HB3 SER A 3 -17.826 -3.489 7.029 1.00 21.24 H new ATOM 0 HG SER A 3 -19.074 -5.444 6.862 1.00 73.12 H new ATOM 45 N GLU A 4 -16.667 -1.070 5.593 1.00 33.43 N ATOM 46 CA GLU A 4 -15.586 -0.060 5.658 1.00 70.22 C ATOM 47 C GLU A 4 -14.309 -0.620 6.324 1.00 1.21 C ATOM 48 O GLU A 4 -13.195 -0.210 5.988 1.00 13.41 O ATOM 49 CB GLU A 4 -16.069 1.208 6.404 1.00 70.31 C ATOM 50 CG GLU A 4 -16.508 0.984 7.866 1.00 21.35 C ATOM 51 CD GLU A 4 -16.899 2.295 8.566 1.00 11.23 C ATOM 52 OE1 GLU A 4 -16.048 2.891 9.260 1.00 72.25 O ATOM 53 OE2 GLU A 4 -18.053 2.752 8.392 1.00 34.44 O ATOM 0 H GLU A 4 -17.515 -0.791 6.087 1.00 33.43 H new ATOM 0 HA GLU A 4 -15.332 0.206 4.632 1.00 70.22 H new ATOM 0 HB2 GLU A 4 -15.266 1.945 6.392 1.00 70.31 H new ATOM 0 HB3 GLU A 4 -16.905 1.638 5.852 1.00 70.31 H new ATOM 0 HG2 GLU A 4 -17.354 0.297 7.888 1.00 21.35 H new ATOM 0 HG3 GLU A 4 -15.697 0.508 8.418 1.00 21.35 H new ATOM 60 N GLU A 5 -14.502 -1.569 7.260 1.00 31.24 N ATOM 61 CA GLU A 5 -13.405 -2.255 7.967 1.00 43.43 C ATOM 62 C GLU A 5 -12.738 -3.301 7.051 1.00 24.34 C ATOM 63 O GLU A 5 -11.513 -3.489 7.087 1.00 72.45 O ATOM 64 CB GLU A 5 -13.941 -2.896 9.269 1.00 11.32 C ATOM 65 CG GLU A 5 -14.574 -1.883 10.243 1.00 13.34 C ATOM 66 CD GLU A 5 -15.062 -2.522 11.551 1.00 12.45 C ATOM 67 OE1 GLU A 5 -16.287 -2.694 11.736 1.00 53.52 O ATOM 68 OE2 GLU A 5 -14.208 -2.877 12.395 1.00 70.32 O ATOM 0 H GLU A 5 -15.429 -1.883 7.548 1.00 31.24 H new ATOM 0 HA GLU A 5 -12.641 -1.526 8.236 1.00 43.43 H new ATOM 0 HB2 GLU A 5 -14.683 -3.652 9.013 1.00 11.32 H new ATOM 0 HB3 GLU A 5 -13.123 -3.410 9.774 1.00 11.32 H new ATOM 0 HG2 GLU A 5 -13.844 -1.108 10.476 1.00 13.34 H new ATOM 0 HG3 GLU A 5 -15.414 -1.392 9.751 1.00 13.34 H new ATOM 75 N GLU A 6 -13.569 -3.950 6.209 1.00 22.13 N ATOM 76 CA GLU A 6 -13.111 -4.883 5.164 1.00 30.20 C ATOM 77 C GLU A 6 -12.399 -4.123 4.032 1.00 1.30 C ATOM 78 O GLU A 6 -11.513 -4.679 3.376 1.00 31.10 O ATOM 79 CB GLU A 6 -14.308 -5.698 4.598 1.00 42.24 C ATOM 80 CG GLU A 6 -13.939 -6.637 3.429 1.00 53.33 C ATOM 81 CD GLU A 6 -15.099 -7.531 2.993 1.00 73.41 C ATOM 82 OE1 GLU A 6 -15.832 -7.168 2.044 1.00 61.51 O ATOM 83 OE2 GLU A 6 -15.279 -8.612 3.599 1.00 24.21 O ATOM 0 H GLU A 6 -14.583 -3.839 6.237 1.00 22.13 H new ATOM 0 HA GLU A 6 -12.400 -5.577 5.614 1.00 30.20 H new ATOM 0 HB2 GLU A 6 -14.742 -6.292 5.403 1.00 42.24 H new ATOM 0 HB3 GLU A 6 -15.079 -5.004 4.262 1.00 42.24 H new ATOM 0 HG2 GLU A 6 -13.609 -6.039 2.580 1.00 53.33 H new ATOM 0 HG3 GLU A 6 -13.097 -7.262 3.724 1.00 53.33 H new ATOM 90 N GLU A 7 -12.778 -2.837 3.828 1.00 11.53 N ATOM 91 CA GLU A 7 -12.216 -2.003 2.757 1.00 54.23 C ATOM 92 C GLU A 7 -10.704 -1.876 2.910 1.00 23.11 C ATOM 93 O GLU A 7 -9.993 -2.112 1.943 1.00 62.10 O ATOM 94 CB GLU A 7 -12.874 -0.597 2.687 1.00 54.33 C ATOM 95 CG GLU A 7 -14.366 -0.586 2.268 1.00 72.12 C ATOM 96 CD GLU A 7 -14.709 -1.338 0.958 1.00 44.31 C ATOM 97 OE1 GLU A 7 -13.834 -1.488 0.082 1.00 2.11 O ATOM 98 OE2 GLU A 7 -15.873 -1.761 0.792 1.00 70.22 O ATOM 0 H GLU A 7 -13.475 -2.360 4.400 1.00 11.53 H new ATOM 0 HA GLU A 7 -12.438 -2.507 1.817 1.00 54.23 H new ATOM 0 HB2 GLU A 7 -12.784 -0.123 3.664 1.00 54.33 H new ATOM 0 HB3 GLU A 7 -12.311 0.015 1.983 1.00 54.33 H new ATOM 0 HG2 GLU A 7 -14.953 -1.020 3.077 1.00 72.12 H new ATOM 0 HG3 GLU A 7 -14.686 0.451 2.163 1.00 72.12 H new ATOM 105 N LYS A 8 -10.220 -1.572 4.148 1.00 30.22 N ATOM 106 CA LYS A 8 -8.767 -1.484 4.418 1.00 2.35 C ATOM 107 C LYS A 8 -8.064 -2.812 4.092 1.00 1.31 C ATOM 108 O LYS A 8 -6.948 -2.796 3.616 1.00 43.11 O ATOM 109 CB LYS A 8 -8.417 -1.079 5.879 1.00 34.05 C ATOM 110 CG LYS A 8 -8.782 0.379 6.274 1.00 25.40 C ATOM 111 CD LYS A 8 -10.196 0.519 6.860 1.00 1.21 C ATOM 112 CE LYS A 8 -10.376 -0.283 8.172 1.00 35.20 C ATOM 113 NZ LYS A 8 -9.374 0.073 9.214 1.00 42.15 N ATOM 0 H LYS A 8 -10.810 -1.387 4.959 1.00 30.22 H new ATOM 0 HA LYS A 8 -8.408 -0.689 3.765 1.00 2.35 H new ATOM 0 HB2 LYS A 8 -8.929 -1.760 6.559 1.00 34.05 H new ATOM 0 HB3 LYS A 8 -7.347 -1.221 6.031 1.00 34.05 H new ATOM 0 HG2 LYS A 8 -8.057 0.742 7.003 1.00 25.40 H new ATOM 0 HG3 LYS A 8 -8.697 1.018 5.395 1.00 25.40 H new ATOM 0 HD2 LYS A 8 -10.404 1.572 7.050 1.00 1.21 H new ATOM 0 HD3 LYS A 8 -10.926 0.177 6.126 1.00 1.21 H new ATOM 0 HE2 LYS A 8 -11.378 -0.107 8.564 1.00 35.20 H new ATOM 0 HE3 LYS A 8 -10.302 -1.348 7.953 1.00 35.20 H new ATOM 0 HZ1 LYS A 8 -9.615 -0.406 10.105 1.00 42.15 H new ATOM 0 HZ2 LYS A 8 -8.428 -0.228 8.904 1.00 42.15 H new ATOM 0 HZ3 LYS A 8 -9.378 1.102 9.362 1.00 42.15 H new ATOM 127 N ARG A 9 -8.741 -3.953 4.341 1.00 34.54 N ATOM 128 CA ARG A 9 -8.181 -5.296 4.048 1.00 40.50 C ATOM 129 C ARG A 9 -7.994 -5.495 2.530 1.00 21.33 C ATOM 130 O ARG A 9 -7.054 -6.168 2.097 1.00 42.15 O ATOM 131 CB ARG A 9 -9.069 -6.417 4.653 1.00 73.42 C ATOM 132 CG ARG A 9 -9.275 -6.297 6.178 1.00 44.02 C ATOM 133 CD ARG A 9 -9.901 -7.556 6.802 1.00 51.35 C ATOM 134 NE ARG A 9 -11.209 -7.908 6.215 1.00 24.42 N ATOM 135 CZ ARG A 9 -12.337 -8.168 6.908 1.00 42.40 C ATOM 136 NH1 ARG A 9 -12.350 -8.103 8.239 1.00 53.52 N ATOM 137 NH2 ARG A 9 -13.433 -8.522 6.260 1.00 4.14 N ATOM 0 H ARG A 9 -9.677 -3.974 4.745 1.00 34.54 H new ATOM 0 HA ARG A 9 -7.200 -5.360 4.519 1.00 40.50 H new ATOM 0 HB2 ARG A 9 -10.042 -6.401 4.162 1.00 73.42 H new ATOM 0 HB3 ARG A 9 -8.617 -7.384 4.432 1.00 73.42 H new ATOM 0 HG2 ARG A 9 -8.314 -6.102 6.654 1.00 44.02 H new ATOM 0 HG3 ARG A 9 -9.914 -5.439 6.386 1.00 44.02 H new ATOM 0 HD2 ARG A 9 -9.216 -8.395 6.676 1.00 51.35 H new ATOM 0 HD3 ARG A 9 -10.021 -7.401 7.874 1.00 51.35 H new ATOM 0 HE ARG A 9 -11.265 -7.959 5.198 1.00 24.42 H new ATOM 0 HH11 ARG A 9 -11.500 -7.854 8.746 1.00 53.52 H new ATOM 0 HH12 ARG A 9 -13.210 -8.302 8.751 1.00 53.52 H new ATOM 0 HH21 ARG A 9 -13.422 -8.597 5.243 1.00 4.14 H new ATOM 0 HH22 ARG A 9 -14.290 -8.720 6.777 1.00 4.14 H new ATOM 151 N GLN A 10 -8.894 -4.880 1.732 1.00 14.20 N ATOM 152 CA GLN A 10 -8.794 -4.879 0.260 1.00 1.51 C ATOM 153 C GLN A 10 -7.677 -3.920 -0.207 1.00 45.42 C ATOM 154 O GLN A 10 -6.938 -4.241 -1.134 1.00 2.43 O ATOM 155 CB GLN A 10 -10.153 -4.494 -0.398 1.00 0.31 C ATOM 156 CG GLN A 10 -11.325 -5.430 -0.041 1.00 5.23 C ATOM 157 CD GLN A 10 -12.582 -5.159 -0.877 1.00 3.21 C ATOM 158 OE1 GLN A 10 -12.783 -5.754 -1.941 1.00 63.11 O ATOM 159 NE2 GLN A 10 -13.431 -4.255 -0.420 1.00 75.15 N ATOM 0 H GLN A 10 -9.704 -4.374 2.089 1.00 14.20 H new ATOM 0 HA GLN A 10 -8.541 -5.890 -0.058 1.00 1.51 H new ATOM 0 HB2 GLN A 10 -10.412 -3.478 -0.099 1.00 0.31 H new ATOM 0 HB3 GLN A 10 -10.028 -4.486 -1.481 1.00 0.31 H new ATOM 0 HG2 GLN A 10 -11.014 -6.465 -0.186 1.00 5.23 H new ATOM 0 HG3 GLN A 10 -11.566 -5.315 1.016 1.00 5.23 H new ATOM 0 HE21 GLN A 10 -13.242 -3.778 0.461 1.00 75.15 H new ATOM 0 HE22 GLN A 10 -14.275 -4.035 -0.949 1.00 75.15 H new ATOM 168 N VAL A 11 -7.551 -2.763 0.479 1.00 61.32 N ATOM 169 CA VAL A 11 -6.580 -1.701 0.121 1.00 24.40 C ATOM 170 C VAL A 11 -5.134 -2.145 0.410 1.00 21.53 C ATOM 171 O VAL A 11 -4.255 -1.937 -0.420 1.00 62.03 O ATOM 172 CB VAL A 11 -6.884 -0.360 0.891 1.00 21.21 C ATOM 173 CG1 VAL A 11 -5.893 0.756 0.513 1.00 34.20 C ATOM 174 CG2 VAL A 11 -8.318 0.107 0.627 1.00 22.52 C ATOM 0 H VAL A 11 -8.118 -2.537 1.296 1.00 61.32 H new ATOM 0 HA VAL A 11 -6.686 -1.522 -0.949 1.00 24.40 H new ATOM 0 HB VAL A 11 -6.767 -0.570 1.954 1.00 21.21 H new ATOM 0 HG11 VAL A 11 -6.138 1.663 1.066 1.00 34.20 H new ATOM 0 HG12 VAL A 11 -4.879 0.442 0.762 1.00 34.20 H new ATOM 0 HG13 VAL A 11 -5.959 0.954 -0.557 1.00 34.20 H new ATOM 0 HG21 VAL A 11 -8.504 1.034 1.169 1.00 22.52 H new ATOM 0 HG22 VAL A 11 -8.454 0.277 -0.441 1.00 22.52 H new ATOM 0 HG23 VAL A 11 -9.018 -0.658 0.965 1.00 22.52 H new ATOM 184 N LYS A 12 -4.923 -2.763 1.590 1.00 24.43 N ATOM 185 CA LYS A 12 -3.617 -3.299 2.016 1.00 52.43 C ATOM 186 C LYS A 12 -3.175 -4.414 1.069 1.00 15.14 C ATOM 187 O LYS A 12 -1.992 -4.543 0.771 1.00 41.01 O ATOM 188 CB LYS A 12 -3.687 -3.861 3.459 1.00 23.43 C ATOM 189 CG LYS A 12 -3.994 -2.825 4.560 1.00 52.50 C ATOM 190 CD LYS A 12 -4.050 -3.480 5.964 1.00 62.11 C ATOM 191 CE LYS A 12 -5.155 -4.544 6.103 1.00 40.04 C ATOM 192 NZ LYS A 12 -4.994 -5.343 7.345 1.00 55.12 N ATOM 0 H LYS A 12 -5.662 -2.905 2.279 1.00 24.43 H new ATOM 0 HA LYS A 12 -2.897 -2.481 1.991 1.00 52.43 H new ATOM 0 HB2 LYS A 12 -4.451 -4.637 3.491 1.00 23.43 H new ATOM 0 HB3 LYS A 12 -2.736 -4.340 3.690 1.00 23.43 H new ATOM 0 HG2 LYS A 12 -3.230 -2.048 4.551 1.00 52.50 H new ATOM 0 HG3 LYS A 12 -4.946 -2.339 4.347 1.00 52.50 H new ATOM 0 HD2 LYS A 12 -3.085 -3.939 6.180 1.00 62.11 H new ATOM 0 HD3 LYS A 12 -4.208 -2.703 6.712 1.00 62.11 H new ATOM 0 HE2 LYS A 12 -6.130 -4.058 6.107 1.00 40.04 H new ATOM 0 HE3 LYS A 12 -5.133 -5.207 5.238 1.00 40.04 H new ATOM 0 HZ1 LYS A 12 -5.755 -6.049 7.405 1.00 55.12 H new ATOM 0 HZ2 LYS A 12 -4.074 -5.827 7.330 1.00 55.12 H new ATOM 0 HZ3 LYS A 12 -5.040 -4.713 8.171 1.00 55.12 H new ATOM 206 N GLN A 13 -4.168 -5.216 0.621 1.00 53.33 N ATOM 207 CA GLN A 13 -3.953 -6.310 -0.333 1.00 4.41 C ATOM 208 C GLN A 13 -3.457 -5.750 -1.674 1.00 62.33 C ATOM 209 O GLN A 13 -2.387 -6.134 -2.124 1.00 24.50 O ATOM 210 CB GLN A 13 -5.257 -7.130 -0.524 1.00 63.21 C ATOM 211 CG GLN A 13 -5.161 -8.278 -1.553 1.00 21.40 C ATOM 212 CD GLN A 13 -6.458 -9.084 -1.734 1.00 71.12 C ATOM 213 OE1 GLN A 13 -6.413 -10.288 -2.013 1.00 4.31 O ATOM 214 NE2 GLN A 13 -7.616 -8.432 -1.633 1.00 71.14 N ATOM 0 H GLN A 13 -5.139 -5.116 0.916 1.00 53.33 H new ATOM 0 HA GLN A 13 -3.190 -6.979 0.065 1.00 4.41 H new ATOM 0 HB2 GLN A 13 -5.549 -7.549 0.439 1.00 63.21 H new ATOM 0 HB3 GLN A 13 -6.053 -6.452 -0.832 1.00 63.21 H new ATOM 0 HG2 GLN A 13 -4.870 -7.861 -2.517 1.00 21.40 H new ATOM 0 HG3 GLN A 13 -4.366 -8.958 -1.247 1.00 21.40 H new ATOM 0 HE21 GLN A 13 -7.623 -7.439 -1.401 1.00 71.14 H new ATOM 0 HE22 GLN A 13 -8.495 -8.926 -1.787 1.00 71.14 H new ATOM 223 N VAL A 14 -4.224 -4.808 -2.271 1.00 13.11 N ATOM 224 CA VAL A 14 -3.848 -4.160 -3.549 1.00 45.45 C ATOM 225 C VAL A 14 -2.451 -3.517 -3.422 1.00 41.30 C ATOM 226 O VAL A 14 -1.590 -3.728 -4.273 1.00 4.42 O ATOM 227 CB VAL A 14 -4.919 -3.079 -3.993 1.00 25.43 C ATOM 228 CG1 VAL A 14 -4.486 -2.325 -5.276 1.00 61.12 C ATOM 229 CG2 VAL A 14 -6.313 -3.728 -4.201 1.00 45.31 C ATOM 0 H VAL A 14 -5.110 -4.479 -1.886 1.00 13.11 H new ATOM 0 HA VAL A 14 -3.820 -4.928 -4.322 1.00 45.45 H new ATOM 0 HB VAL A 14 -4.986 -2.351 -3.184 1.00 25.43 H new ATOM 0 HG11 VAL A 14 -5.249 -1.594 -5.544 1.00 61.12 H new ATOM 0 HG12 VAL A 14 -3.541 -1.813 -5.096 1.00 61.12 H new ATOM 0 HG13 VAL A 14 -4.363 -3.037 -6.092 1.00 61.12 H new ATOM 0 HG21 VAL A 14 -7.028 -2.964 -4.505 1.00 45.31 H new ATOM 0 HG22 VAL A 14 -6.247 -4.492 -4.976 1.00 45.31 H new ATOM 0 HG23 VAL A 14 -6.644 -4.185 -3.268 1.00 45.31 H new ATOM 239 N ALA A 15 -2.238 -2.828 -2.287 1.00 11.23 N ATOM 240 CA ALA A 15 -1.002 -2.094 -1.976 1.00 5.31 C ATOM 241 C ALA A 15 0.231 -3.018 -1.947 1.00 33.22 C ATOM 242 O ALA A 15 1.276 -2.699 -2.536 1.00 62.24 O ATOM 243 CB ALA A 15 -1.163 -1.365 -0.628 1.00 4.03 C ATOM 0 H ALA A 15 -2.936 -2.766 -1.546 1.00 11.23 H new ATOM 0 HA ALA A 15 -0.834 -1.366 -2.770 1.00 5.31 H new ATOM 0 HB1 ALA A 15 -0.247 -0.821 -0.397 1.00 4.03 H new ATOM 0 HB2 ALA A 15 -1.996 -0.664 -0.690 1.00 4.03 H new ATOM 0 HB3 ALA A 15 -1.360 -2.094 0.158 1.00 4.03 H new ATOM 249 N LYS A 16 0.085 -4.179 -1.275 1.00 3.32 N ATOM 250 CA LYS A 16 1.187 -5.137 -1.107 1.00 0.44 C ATOM 251 C LYS A 16 1.454 -5.887 -2.412 1.00 4.22 C ATOM 252 O LYS A 16 2.605 -6.203 -2.707 1.00 13.04 O ATOM 253 CB LYS A 16 0.919 -6.104 0.082 1.00 62.45 C ATOM 254 CG LYS A 16 -0.192 -7.153 -0.110 1.00 42.05 C ATOM 255 CD LYS A 16 -0.480 -7.965 1.180 1.00 42.42 C ATOM 256 CE LYS A 16 0.770 -8.678 1.737 1.00 23.23 C ATOM 257 NZ LYS A 16 0.438 -9.551 2.893 1.00 55.42 N ATOM 0 H LYS A 16 -0.790 -4.472 -0.840 1.00 3.32 H new ATOM 0 HA LYS A 16 2.091 -4.580 -0.861 1.00 0.44 H new ATOM 0 HB2 LYS A 16 1.847 -6.630 0.307 1.00 62.45 H new ATOM 0 HB3 LYS A 16 0.672 -5.504 0.958 1.00 62.45 H new ATOM 0 HG2 LYS A 16 -1.106 -6.653 -0.431 1.00 42.05 H new ATOM 0 HG3 LYS A 16 0.095 -7.837 -0.909 1.00 42.05 H new ATOM 0 HD2 LYS A 16 -0.879 -7.296 1.942 1.00 42.42 H new ATOM 0 HD3 LYS A 16 -1.251 -8.706 0.971 1.00 42.42 H new ATOM 0 HE2 LYS A 16 1.228 -9.276 0.950 1.00 23.23 H new ATOM 0 HE3 LYS A 16 1.507 -7.935 2.042 1.00 23.23 H new ATOM 0 HZ1 LYS A 16 1.303 -10.013 3.239 1.00 55.42 H new ATOM 0 HZ2 LYS A 16 0.024 -8.976 3.654 1.00 55.42 H new ATOM 0 HZ3 LYS A 16 -0.246 -10.276 2.595 1.00 55.42 H new ATOM 271 N GLU A 17 0.385 -6.110 -3.209 1.00 65.11 N ATOM 272 CA GLU A 17 0.497 -6.742 -4.530 1.00 1.30 C ATOM 273 C GLU A 17 1.307 -5.845 -5.474 1.00 75.31 C ATOM 274 O GLU A 17 2.115 -6.350 -6.241 1.00 30.40 O ATOM 275 CB GLU A 17 -0.906 -7.045 -5.135 1.00 12.45 C ATOM 276 CG GLU A 17 -1.743 -8.098 -4.367 1.00 61.53 C ATOM 277 CD GLU A 17 -1.127 -9.518 -4.342 1.00 50.12 C ATOM 278 OE1 GLU A 17 -0.174 -9.764 -3.570 1.00 23.14 O ATOM 279 OE2 GLU A 17 -1.611 -10.406 -5.081 1.00 65.34 O ATOM 0 H GLU A 17 -0.569 -5.857 -2.952 1.00 65.11 H new ATOM 0 HA GLU A 17 1.017 -7.692 -4.409 1.00 1.30 H new ATOM 0 HB2 GLU A 17 -1.473 -6.115 -5.179 1.00 12.45 H new ATOM 0 HB3 GLU A 17 -0.775 -7.387 -6.162 1.00 12.45 H new ATOM 0 HG2 GLU A 17 -1.878 -7.757 -3.341 1.00 61.53 H new ATOM 0 HG3 GLU A 17 -2.734 -8.154 -4.818 1.00 61.53 H new ATOM 286 N LYS A 18 1.100 -4.503 -5.370 1.00 12.02 N ATOM 287 CA LYS A 18 1.853 -3.505 -6.164 1.00 30.01 C ATOM 288 C LYS A 18 3.353 -3.624 -5.895 1.00 21.24 C ATOM 289 O LYS A 18 4.159 -3.683 -6.825 1.00 5.54 O ATOM 290 CB LYS A 18 1.400 -2.052 -5.847 1.00 5.04 C ATOM 291 CG LYS A 18 -0.080 -1.746 -6.136 1.00 63.32 C ATOM 292 CD LYS A 18 -0.511 -2.064 -7.584 1.00 21.52 C ATOM 293 CE LYS A 18 0.221 -1.208 -8.627 1.00 40.10 C ATOM 294 NZ LYS A 18 0.006 -1.725 -9.994 1.00 72.52 N ATOM 0 H LYS A 18 0.413 -4.091 -4.739 1.00 12.02 H new ATOM 0 HA LYS A 18 1.645 -3.715 -7.213 1.00 30.01 H new ATOM 0 HB2 LYS A 18 1.597 -1.849 -4.794 1.00 5.04 H new ATOM 0 HB3 LYS A 18 2.016 -1.363 -6.425 1.00 5.04 H new ATOM 0 HG2 LYS A 18 -0.701 -2.319 -5.448 1.00 63.32 H new ATOM 0 HG3 LYS A 18 -0.270 -0.692 -5.934 1.00 63.32 H new ATOM 0 HD2 LYS A 18 -0.324 -3.118 -7.790 1.00 21.52 H new ATOM 0 HD3 LYS A 18 -1.585 -1.906 -7.681 1.00 21.52 H new ATOM 0 HE2 LYS A 18 -0.130 -0.178 -8.566 1.00 40.10 H new ATOM 0 HE3 LYS A 18 1.288 -1.194 -8.405 1.00 40.10 H new ATOM 0 HZ1 LYS A 18 0.643 -1.235 -10.655 1.00 72.52 H new ATOM 0 HZ2 LYS A 18 0.205 -2.746 -10.014 1.00 72.52 H new ATOM 0 HZ3 LYS A 18 -0.981 -1.559 -10.277 1.00 72.52 H new ATOM 308 N LEU A 19 3.702 -3.644 -4.599 1.00 3.23 N ATOM 309 CA LEU A 19 5.097 -3.734 -4.135 1.00 1.25 C ATOM 310 C LEU A 19 5.743 -5.085 -4.493 1.00 52.41 C ATOM 311 O LEU A 19 6.957 -5.160 -4.691 1.00 63.24 O ATOM 312 CB LEU A 19 5.163 -3.476 -2.608 1.00 14.43 C ATOM 313 CG LEU A 19 4.677 -2.072 -2.131 1.00 23.34 C ATOM 314 CD1 LEU A 19 4.942 -1.873 -0.629 1.00 63.45 C ATOM 315 CD2 LEU A 19 5.312 -0.941 -2.966 1.00 41.54 C ATOM 0 H LEU A 19 3.022 -3.598 -3.840 1.00 3.23 H new ATOM 0 HA LEU A 19 5.671 -2.965 -4.653 1.00 1.25 H new ATOM 0 HB2 LEU A 19 4.565 -4.236 -2.105 1.00 14.43 H new ATOM 0 HB3 LEU A 19 6.194 -3.613 -2.280 1.00 14.43 H new ATOM 0 HG LEU A 19 3.599 -2.027 -2.287 1.00 23.34 H new ATOM 0 HD11 LEU A 19 4.593 -0.886 -0.326 1.00 63.45 H new ATOM 0 HD12 LEU A 19 4.410 -2.636 -0.061 1.00 63.45 H new ATOM 0 HD13 LEU A 19 6.011 -1.955 -0.434 1.00 63.45 H new ATOM 0 HD21 LEU A 19 4.952 0.023 -2.607 1.00 41.54 H new ATOM 0 HD22 LEU A 19 6.397 -0.982 -2.869 1.00 41.54 H new ATOM 0 HD23 LEU A 19 5.037 -1.064 -4.014 1.00 41.54 H new ATOM 327 N LEU A 20 4.914 -6.140 -4.577 1.00 52.43 N ATOM 328 CA LEU A 20 5.360 -7.490 -4.980 1.00 51.03 C ATOM 329 C LEU A 20 5.523 -7.587 -6.517 1.00 42.12 C ATOM 330 O LEU A 20 6.314 -8.392 -7.001 1.00 31.21 O ATOM 331 CB LEU A 20 4.380 -8.574 -4.446 1.00 2.13 C ATOM 332 CG LEU A 20 4.363 -8.767 -2.893 1.00 13.24 C ATOM 333 CD1 LEU A 20 3.214 -9.701 -2.446 1.00 54.34 C ATOM 334 CD2 LEU A 20 5.732 -9.270 -2.381 1.00 42.23 C ATOM 0 H LEU A 20 3.917 -6.084 -4.368 1.00 52.43 H new ATOM 0 HA LEU A 20 6.338 -7.672 -4.534 1.00 51.03 H new ATOM 0 HB2 LEU A 20 3.372 -8.319 -4.773 1.00 2.13 H new ATOM 0 HB3 LEU A 20 4.634 -9.527 -4.909 1.00 2.13 H new ATOM 0 HG LEU A 20 4.177 -7.792 -2.443 1.00 13.24 H new ATOM 0 HD11 LEU A 20 3.235 -9.811 -1.362 1.00 54.34 H new ATOM 0 HD12 LEU A 20 2.258 -9.273 -2.749 1.00 54.34 H new ATOM 0 HD13 LEU A 20 3.338 -10.679 -2.912 1.00 54.34 H new ATOM 0 HD21 LEU A 20 5.692 -9.395 -1.299 1.00 42.23 H new ATOM 0 HD22 LEU A 20 5.966 -10.226 -2.849 1.00 42.23 H new ATOM 0 HD23 LEU A 20 6.504 -8.543 -2.634 1.00 42.23 H new ATOM 346 N GLU A 21 4.761 -6.772 -7.281 1.00 5.30 N ATOM 347 CA GLU A 21 4.911 -6.680 -8.758 1.00 63.43 C ATOM 348 C GLU A 21 6.231 -5.963 -9.103 1.00 23.35 C ATOM 349 O GLU A 21 6.963 -6.378 -10.011 1.00 31.33 O ATOM 350 CB GLU A 21 3.719 -5.922 -9.409 1.00 12.13 C ATOM 351 CG GLU A 21 2.355 -6.639 -9.332 1.00 43.41 C ATOM 352 CD GLU A 21 1.209 -5.811 -9.943 1.00 63.41 C ATOM 353 OE1 GLU A 21 0.679 -6.187 -11.017 1.00 60.30 O ATOM 354 OE2 GLU A 21 0.853 -4.758 -9.367 1.00 30.32 O ATOM 0 H GLU A 21 4.034 -6.166 -6.902 1.00 5.30 H new ATOM 0 HA GLU A 21 4.923 -7.694 -9.157 1.00 63.43 H new ATOM 0 HB2 GLU A 21 3.625 -4.948 -8.930 1.00 12.13 H new ATOM 0 HB3 GLU A 21 3.956 -5.740 -10.457 1.00 12.13 H new ATOM 0 HG2 GLU A 21 2.423 -7.595 -9.851 1.00 43.41 H new ATOM 0 HG3 GLU A 21 2.123 -6.858 -8.290 1.00 43.41 H new ATOM 361 N GLN A 22 6.505 -4.878 -8.356 1.00 22.04 N ATOM 362 CA GLN A 22 7.734 -4.068 -8.502 1.00 74.23 C ATOM 363 C GLN A 22 8.971 -4.856 -8.042 1.00 33.22 C ATOM 364 O GLN A 22 10.023 -4.823 -8.694 1.00 31.01 O ATOM 365 CB GLN A 22 7.596 -2.757 -7.677 1.00 12.54 C ATOM 366 CG GLN A 22 6.481 -1.817 -8.165 1.00 64.24 C ATOM 367 CD GLN A 22 6.259 -0.639 -7.220 1.00 24.44 C ATOM 368 OE1 GLN A 22 5.393 -0.818 -6.242 1.00 44.11 O flip ATOM 369 NE2 GLN A 22 6.872 0.419 -7.358 1.00 13.44 N flip ATOM 0 H GLN A 22 5.878 -4.534 -7.629 1.00 22.04 H new ATOM 0 HA GLN A 22 7.864 -3.821 -9.556 1.00 74.23 H new ATOM 0 HB2 GLN A 22 7.407 -3.015 -6.635 1.00 12.54 H new ATOM 0 HB3 GLN A 22 8.545 -2.222 -7.706 1.00 12.54 H new ATOM 0 HG2 GLN A 22 6.734 -1.441 -9.156 1.00 64.24 H new ATOM 0 HG3 GLN A 22 5.553 -2.380 -8.265 1.00 64.24 H new ATOM 0 HE21 GLN A 22 7.536 0.528 -8.125 1.00 13.44 H new ATOM 0 HE22 GLN A 22 6.716 1.187 -6.706 1.00 13.44 H new ATOM 378 N SER A 23 8.817 -5.577 -6.919 1.00 13.11 N ATOM 379 CA SER A 23 9.899 -6.346 -6.304 1.00 4.03 C ATOM 380 C SER A 23 9.318 -7.636 -5.665 1.00 62.14 C ATOM 381 O SER A 23 8.857 -7.619 -4.516 1.00 72.12 O ATOM 382 CB SER A 23 10.649 -5.470 -5.265 1.00 24.14 C ATOM 383 OG SER A 23 11.771 -6.151 -4.727 1.00 42.55 O ATOM 0 H SER A 23 7.933 -5.640 -6.414 1.00 13.11 H new ATOM 0 HA SER A 23 10.623 -6.643 -7.062 1.00 4.03 H new ATOM 0 HB2 SER A 23 10.976 -4.543 -5.737 1.00 24.14 H new ATOM 0 HB3 SER A 23 9.968 -5.195 -4.460 1.00 24.14 H new ATOM 0 HG SER A 23 11.571 -6.439 -3.812 1.00 42.55 H new ATOM 389 N PRO A 24 9.278 -8.776 -6.438 1.00 14.43 N ATOM 390 CA PRO A 24 8.857 -10.103 -5.904 1.00 20.24 C ATOM 391 C PRO A 24 9.990 -10.800 -5.114 1.00 44.11 C ATOM 392 O PRO A 24 9.797 -11.878 -4.546 1.00 55.24 O ATOM 393 CB PRO A 24 8.492 -10.883 -7.195 1.00 32.02 C ATOM 394 CG PRO A 24 9.418 -10.331 -8.244 1.00 33.13 C ATOM 395 CD PRO A 24 9.616 -8.858 -7.895 1.00 40.20 C ATOM 0 HA PRO A 24 8.037 -10.037 -5.189 1.00 20.24 H new ATOM 0 HB2 PRO A 24 8.635 -11.956 -7.064 1.00 32.02 H new ATOM 0 HB3 PRO A 24 7.448 -10.732 -7.468 1.00 32.02 H new ATOM 0 HG2 PRO A 24 10.369 -10.863 -8.244 1.00 33.13 H new ATOM 0 HG3 PRO A 24 8.990 -10.442 -9.240 1.00 33.13 H new ATOM 0 HD2 PRO A 24 10.641 -8.538 -8.085 1.00 40.20 H new ATOM 0 HD3 PRO A 24 8.967 -8.217 -8.491 1.00 40.20 H new ATOM 403 N ASN A 25 11.163 -10.147 -5.085 1.00 52.14 N ATOM 404 CA ASN A 25 12.376 -10.645 -4.415 1.00 53.44 C ATOM 405 C ASN A 25 12.492 -10.059 -2.992 1.00 43.12 C ATOM 406 O ASN A 25 13.544 -10.167 -2.356 1.00 74.32 O ATOM 407 CB ASN A 25 13.615 -10.255 -5.272 1.00 25.10 C ATOM 408 CG ASN A 25 13.552 -10.832 -6.693 1.00 11.51 C ATOM 409 OD1 ASN A 25 12.971 -10.229 -7.595 1.00 42.45 O ATOM 410 ND2 ASN A 25 14.149 -11.991 -6.907 1.00 1.14 N ATOM 0 H ASN A 25 11.298 -9.241 -5.535 1.00 52.14 H new ATOM 0 HA ASN A 25 12.323 -11.730 -4.321 1.00 53.44 H new ATOM 0 HB2 ASN A 25 13.687 -9.169 -5.327 1.00 25.10 H new ATOM 0 HB3 ASN A 25 14.520 -10.610 -4.779 1.00 25.10 H new ATOM 0 HD21 ASN A 25 14.136 -12.407 -7.838 1.00 1.14 H new ATOM 0 HD22 ASN A 25 14.623 -12.469 -6.141 1.00 1.14 H new ATOM 417 N SER A 26 11.398 -9.464 -2.486 1.00 62.35 N ATOM 418 CA SER A 26 11.387 -8.777 -1.181 1.00 0.23 C ATOM 419 C SER A 26 10.142 -9.157 -0.375 1.00 64.24 C ATOM 420 O SER A 26 9.079 -9.431 -0.952 1.00 3.41 O ATOM 421 CB SER A 26 11.430 -7.258 -1.411 1.00 0.04 C ATOM 422 OG SER A 26 10.367 -6.818 -2.239 1.00 1.13 O ATOM 0 H SER A 26 10.499 -9.445 -2.967 1.00 62.35 H new ATOM 0 HA SER A 26 12.262 -9.086 -0.609 1.00 0.23 H new ATOM 0 HB2 SER A 26 11.379 -6.744 -0.451 1.00 0.04 H new ATOM 0 HB3 SER A 26 12.382 -6.987 -1.868 1.00 0.04 H new ATOM 0 HG SER A 26 10.200 -7.484 -2.938 1.00 1.13 H new ATOM 428 N LYS A 27 10.280 -9.170 0.965 1.00 24.44 N ATOM 429 CA LYS A 27 9.162 -9.412 1.876 1.00 12.24 C ATOM 430 C LYS A 27 8.497 -8.087 2.248 1.00 74.44 C ATOM 431 O LYS A 27 9.110 -7.215 2.883 1.00 62.00 O ATOM 432 CB LYS A 27 9.619 -10.179 3.136 1.00 31.34 C ATOM 433 CG LYS A 27 10.198 -11.598 2.879 1.00 62.24 C ATOM 434 CD LYS A 27 9.182 -12.635 2.291 1.00 50.15 C ATOM 435 CE LYS A 27 9.113 -12.641 0.750 1.00 13.21 C ATOM 436 NZ LYS A 27 8.146 -13.637 0.231 1.00 43.05 N ATOM 0 H LYS A 27 11.170 -9.013 1.438 1.00 24.44 H new ATOM 0 HA LYS A 27 8.431 -10.039 1.366 1.00 12.24 H new ATOM 0 HB2 LYS A 27 10.375 -9.584 3.649 1.00 31.34 H new ATOM 0 HB3 LYS A 27 8.770 -10.269 3.814 1.00 31.34 H new ATOM 0 HG2 LYS A 27 11.041 -11.511 2.194 1.00 62.24 H new ATOM 0 HG3 LYS A 27 10.590 -11.989 3.818 1.00 62.24 H new ATOM 0 HD2 LYS A 27 9.456 -13.632 2.636 1.00 50.15 H new ATOM 0 HD3 LYS A 27 8.190 -12.421 2.688 1.00 50.15 H new ATOM 0 HE2 LYS A 27 8.832 -11.648 0.398 1.00 13.21 H new ATOM 0 HE3 LYS A 27 10.102 -12.855 0.346 1.00 13.21 H new ATOM 0 HZ1 LYS A 27 8.136 -13.602 -0.808 1.00 43.05 H new ATOM 0 HZ2 LYS A 27 8.427 -14.589 0.543 1.00 43.05 H new ATOM 0 HZ3 LYS A 27 7.196 -13.420 0.594 1.00 43.05 H new ATOM 450 N VAL A 28 7.247 -7.960 1.810 1.00 4.22 N ATOM 451 CA VAL A 28 6.409 -6.778 2.010 1.00 24.13 C ATOM 452 C VAL A 28 5.447 -7.031 3.183 1.00 34.13 C ATOM 453 O VAL A 28 4.717 -8.029 3.194 1.00 20.51 O ATOM 454 CB VAL A 28 5.593 -6.440 0.709 1.00 42.21 C ATOM 455 CG1 VAL A 28 4.680 -5.208 0.912 1.00 32.23 C ATOM 456 CG2 VAL A 28 6.547 -6.236 -0.491 1.00 72.23 C ATOM 0 H VAL A 28 6.774 -8.699 1.290 1.00 4.22 H new ATOM 0 HA VAL A 28 7.051 -5.927 2.236 1.00 24.13 H new ATOM 0 HB VAL A 28 4.944 -7.288 0.492 1.00 42.21 H new ATOM 0 HG11 VAL A 28 4.132 -5.005 -0.008 1.00 32.23 H new ATOM 0 HG12 VAL A 28 3.974 -5.407 1.718 1.00 32.23 H new ATOM 0 HG13 VAL A 28 5.290 -4.342 1.170 1.00 32.23 H new ATOM 0 HG21 VAL A 28 5.965 -6.003 -1.383 1.00 72.23 H new ATOM 0 HG22 VAL A 28 7.229 -5.413 -0.278 1.00 72.23 H new ATOM 0 HG23 VAL A 28 7.120 -7.148 -0.660 1.00 72.23 H new ATOM 466 N GLN A 29 5.489 -6.133 4.168 1.00 14.41 N ATOM 467 CA GLN A 29 4.585 -6.104 5.330 1.00 22.15 C ATOM 468 C GLN A 29 3.710 -4.851 5.223 1.00 22.00 C ATOM 469 O GLN A 29 3.991 -3.978 4.408 1.00 63.24 O ATOM 470 CB GLN A 29 5.413 -6.058 6.650 1.00 33.23 C ATOM 471 CG GLN A 29 6.339 -7.268 6.886 1.00 11.01 C ATOM 472 CD GLN A 29 5.591 -8.598 7.032 1.00 14.12 C ATOM 473 OE1 GLN A 29 5.171 -8.974 8.128 1.00 53.34 O ATOM 474 NE2 GLN A 29 5.441 -9.331 5.939 1.00 52.20 N ATOM 0 H GLN A 29 6.175 -5.378 4.184 1.00 14.41 H new ATOM 0 HA GLN A 29 3.964 -7.000 5.343 1.00 22.15 H new ATOM 0 HB2 GLN A 29 6.019 -5.152 6.649 1.00 33.23 H new ATOM 0 HB3 GLN A 29 4.723 -5.979 7.490 1.00 33.23 H new ATOM 0 HG2 GLN A 29 7.040 -7.345 6.055 1.00 11.01 H new ATOM 0 HG3 GLN A 29 6.929 -7.093 7.786 1.00 11.01 H new ATOM 0 HE21 GLN A 29 5.799 -8.994 5.046 1.00 52.20 H new ATOM 0 HE22 GLN A 29 4.967 -10.233 5.991 1.00 52.20 H new ATOM 483 N VAL A 30 2.648 -4.769 6.027 1.00 41.30 N ATOM 484 CA VAL A 30 1.855 -3.539 6.185 1.00 12.14 C ATOM 485 C VAL A 30 2.211 -2.918 7.545 1.00 1.20 C ATOM 486 O VAL A 30 1.896 -3.492 8.594 1.00 13.52 O ATOM 487 CB VAL A 30 0.313 -3.811 6.076 1.00 21.21 C ATOM 488 CG1 VAL A 30 -0.495 -2.513 6.314 1.00 50.33 C ATOM 489 CG2 VAL A 30 -0.041 -4.458 4.707 1.00 31.14 C ATOM 0 H VAL A 30 2.310 -5.551 6.588 1.00 41.30 H new ATOM 0 HA VAL A 30 2.097 -2.849 5.377 1.00 12.14 H new ATOM 0 HB VAL A 30 0.037 -4.519 6.857 1.00 21.21 H new ATOM 0 HG11 VAL A 30 -1.561 -2.728 6.233 1.00 50.33 H new ATOM 0 HG12 VAL A 30 -0.277 -2.126 7.310 1.00 50.33 H new ATOM 0 HG13 VAL A 30 -0.217 -1.769 5.567 1.00 50.33 H new ATOM 0 HG21 VAL A 30 -1.115 -4.637 4.656 1.00 31.14 H new ATOM 0 HG22 VAL A 30 0.254 -3.787 3.900 1.00 31.14 H new ATOM 0 HG23 VAL A 30 0.490 -5.405 4.604 1.00 31.14 H new ATOM 499 N ARG A 31 2.895 -1.765 7.514 1.00 43.44 N ATOM 500 CA ARG A 31 3.465 -1.144 8.721 1.00 50.32 C ATOM 501 C ARG A 31 2.397 -0.333 9.497 1.00 51.43 C ATOM 502 O ARG A 31 2.312 -0.421 10.728 1.00 62.13 O ATOM 503 CB ARG A 31 4.678 -0.247 8.338 1.00 22.22 C ATOM 504 CG ARG A 31 5.475 0.276 9.553 1.00 44.14 C ATOM 505 CD ARG A 31 6.135 -0.867 10.363 1.00 15.34 C ATOM 506 NE ARG A 31 6.530 -0.434 11.707 1.00 3.34 N ATOM 507 CZ ARG A 31 7.468 -1.010 12.470 1.00 44.51 C ATOM 508 NH1 ARG A 31 8.154 -2.075 12.052 1.00 24.54 N ATOM 509 NH2 ARG A 31 7.710 -0.511 13.668 1.00 62.04 N ATOM 0 H ARG A 31 3.069 -1.239 6.658 1.00 43.44 H new ATOM 0 HA ARG A 31 3.813 -1.938 9.382 1.00 50.32 H new ATOM 0 HB2 ARG A 31 5.348 -0.815 7.693 1.00 22.22 H new ATOM 0 HB3 ARG A 31 4.320 0.603 7.757 1.00 22.22 H new ATOM 0 HG2 ARG A 31 6.246 0.966 9.209 1.00 44.14 H new ATOM 0 HG3 ARG A 31 4.809 0.842 10.205 1.00 44.14 H new ATOM 0 HD2 ARG A 31 5.440 -1.703 10.442 1.00 15.34 H new ATOM 0 HD3 ARG A 31 7.012 -1.231 9.827 1.00 15.34 H new ATOM 0 HE ARG A 31 6.048 0.377 12.095 1.00 3.34 H new ATOM 0 HH11 ARG A 31 7.970 -2.471 11.130 1.00 24.54 H new ATOM 0 HH12 ARG A 31 8.863 -2.493 12.654 1.00 24.54 H new ATOM 0 HH21 ARG A 31 7.186 0.300 13.998 1.00 62.04 H new ATOM 0 HH22 ARG A 31 8.421 -0.936 14.264 1.00 62.04 H new ATOM 523 N ARG A 32 1.591 0.439 8.755 1.00 70.23 N ATOM 524 CA ARG A 32 0.566 1.342 9.310 1.00 54.43 C ATOM 525 C ARG A 32 -0.414 1.707 8.181 1.00 65.32 C ATOM 526 O ARG A 32 -0.017 1.783 7.027 1.00 21.05 O ATOM 527 CB ARG A 32 1.264 2.608 9.925 1.00 53.31 C ATOM 528 CG ARG A 32 0.357 3.607 10.711 1.00 50.21 C ATOM 529 CD ARG A 32 -0.214 4.764 9.859 1.00 30.32 C ATOM 530 NE ARG A 32 -0.879 5.778 10.699 1.00 62.12 N ATOM 531 CZ ARG A 32 -0.673 7.111 10.641 1.00 15.04 C ATOM 532 NH1 ARG A 32 0.184 7.632 9.768 1.00 61.04 N ATOM 533 NH2 ARG A 32 -1.290 7.902 11.492 1.00 31.41 N ATOM 0 H ARG A 32 1.631 0.456 7.736 1.00 70.23 H new ATOM 0 HA ARG A 32 0.005 0.862 10.112 1.00 54.43 H new ATOM 0 HB2 ARG A 32 2.053 2.267 10.596 1.00 53.31 H new ATOM 0 HB3 ARG A 32 1.748 3.155 9.116 1.00 53.31 H new ATOM 0 HG2 ARG A 32 -0.472 3.054 11.152 1.00 50.21 H new ATOM 0 HG3 ARG A 32 0.933 4.029 11.535 1.00 50.21 H new ATOM 0 HD2 ARG A 32 0.591 5.231 9.292 1.00 30.32 H new ATOM 0 HD3 ARG A 32 -0.925 4.367 9.135 1.00 30.32 H new ATOM 0 HE ARG A 32 -1.555 5.442 11.385 1.00 62.12 H new ATOM 0 HH11 ARG A 32 0.696 7.023 9.130 1.00 61.04 H new ATOM 0 HH12 ARG A 32 0.329 8.641 9.736 1.00 61.04 H new ATOM 0 HH21 ARG A 32 -1.920 7.507 12.191 1.00 31.41 H new ATOM 0 HH22 ARG A 32 -1.139 8.910 11.453 1.00 31.41 H new ATOM 547 N VAL A 33 -1.700 1.892 8.514 1.00 5.53 N ATOM 548 CA VAL A 33 -2.744 2.306 7.544 1.00 21.20 C ATOM 549 C VAL A 33 -3.322 3.660 7.983 1.00 53.14 C ATOM 550 O VAL A 33 -3.496 3.891 9.189 1.00 24.35 O ATOM 551 CB VAL A 33 -3.904 1.242 7.453 1.00 35.54 C ATOM 552 CG1 VAL A 33 -4.934 1.607 6.355 1.00 3.40 C ATOM 553 CG2 VAL A 33 -3.336 -0.174 7.230 1.00 12.32 C ATOM 0 H VAL A 33 -2.053 1.761 9.462 1.00 5.53 H new ATOM 0 HA VAL A 33 -2.287 2.387 6.558 1.00 21.20 H new ATOM 0 HB VAL A 33 -4.431 1.251 8.407 1.00 35.54 H new ATOM 0 HG11 VAL A 33 -5.717 0.849 6.324 1.00 3.40 H new ATOM 0 HG12 VAL A 33 -5.377 2.577 6.580 1.00 3.40 H new ATOM 0 HG13 VAL A 33 -4.434 1.652 5.387 1.00 3.40 H new ATOM 0 HG21 VAL A 33 -4.156 -0.890 7.171 1.00 12.32 H new ATOM 0 HG22 VAL A 33 -2.767 -0.196 6.300 1.00 12.32 H new ATOM 0 HG23 VAL A 33 -2.683 -0.439 8.061 1.00 12.32 H new ATOM 563 N GLN A 34 -3.609 4.553 7.020 1.00 64.43 N ATOM 564 CA GLN A 34 -4.219 5.858 7.297 1.00 4.21 C ATOM 565 C GLN A 34 -5.339 6.148 6.283 1.00 73.02 C ATOM 566 O GLN A 34 -5.073 6.330 5.094 1.00 24.30 O ATOM 567 CB GLN A 34 -3.151 6.986 7.282 1.00 40.31 C ATOM 568 CG GLN A 34 -3.707 8.376 7.657 1.00 2.11 C ATOM 569 CD GLN A 34 -4.403 8.385 9.024 1.00 24.44 C ATOM 570 OE1 GLN A 34 -3.661 8.647 10.078 1.00 12.34 O flip ATOM 571 NE2 GLN A 34 -5.602 8.133 9.132 1.00 20.40 N flip ATOM 0 H GLN A 34 -3.424 4.388 6.031 1.00 64.43 H new ATOM 0 HA GLN A 34 -4.656 5.829 8.295 1.00 4.21 H new ATOM 0 HB2 GLN A 34 -2.352 6.726 7.976 1.00 40.31 H new ATOM 0 HB3 GLN A 34 -2.706 7.039 6.288 1.00 40.31 H new ATOM 0 HG2 GLN A 34 -2.892 9.099 7.664 1.00 2.11 H new ATOM 0 HG3 GLN A 34 -4.413 8.699 6.892 1.00 2.11 H new ATOM 0 HE21 GLN A 34 -6.158 7.933 8.301 1.00 20.40 H new ATOM 0 HE22 GLN A 34 -6.040 8.124 10.053 1.00 20.40 H new ATOM 580 N LYS A 35 -6.588 6.181 6.776 1.00 24.51 N ATOM 581 CA LYS A 35 -7.784 6.452 5.968 1.00 31.11 C ATOM 582 C LYS A 35 -7.980 7.984 5.887 1.00 10.44 C ATOM 583 O LYS A 35 -8.166 8.629 6.922 1.00 52.02 O ATOM 584 CB LYS A 35 -9.031 5.756 6.628 1.00 74.23 C ATOM 585 CG LYS A 35 -10.174 5.353 5.659 1.00 42.32 C ATOM 586 CD LYS A 35 -10.800 6.535 4.874 1.00 52.53 C ATOM 587 CE LYS A 35 -11.848 6.074 3.851 1.00 62.43 C ATOM 588 NZ LYS A 35 -13.005 5.406 4.491 1.00 2.33 N ATOM 0 H LYS A 35 -6.796 6.018 7.761 1.00 24.51 H new ATOM 0 HA LYS A 35 -7.669 6.053 4.960 1.00 31.11 H new ATOM 0 HB2 LYS A 35 -8.690 4.861 7.149 1.00 74.23 H new ATOM 0 HB3 LYS A 35 -9.440 6.428 7.383 1.00 74.23 H new ATOM 0 HG2 LYS A 35 -9.789 4.624 4.946 1.00 42.32 H new ATOM 0 HG3 LYS A 35 -10.959 4.857 6.230 1.00 42.32 H new ATOM 0 HD2 LYS A 35 -11.263 7.228 5.576 1.00 52.53 H new ATOM 0 HD3 LYS A 35 -10.011 7.083 4.359 1.00 52.53 H new ATOM 0 HE2 LYS A 35 -12.198 6.934 3.281 1.00 62.43 H new ATOM 0 HE3 LYS A 35 -11.383 5.389 3.142 1.00 62.43 H new ATOM 0 HZ1 LYS A 35 -13.708 5.159 3.766 1.00 2.33 H new ATOM 0 HZ2 LYS A 35 -12.684 4.541 4.972 1.00 2.33 H new ATOM 0 HZ3 LYS A 35 -13.436 6.049 5.186 1.00 2.33 H new ATOM 602 N GLN A 36 -7.911 8.557 4.671 1.00 23.41 N ATOM 603 CA GLN A 36 -8.121 10.005 4.437 1.00 32.32 C ATOM 604 C GLN A 36 -9.155 10.216 3.304 1.00 23.33 C ATOM 605 O GLN A 36 -8.794 10.503 2.148 1.00 14.41 O ATOM 606 CB GLN A 36 -6.766 10.705 4.110 1.00 52.50 C ATOM 607 CG GLN A 36 -5.734 10.671 5.255 1.00 70.40 C ATOM 608 CD GLN A 36 -4.363 11.219 4.855 1.00 4.32 C ATOM 609 OE1 GLN A 36 -3.482 10.476 4.425 1.00 14.04 O ATOM 610 NE2 GLN A 36 -4.172 12.522 4.987 1.00 21.24 N ATOM 0 H GLN A 36 -7.708 8.032 3.820 1.00 23.41 H new ATOM 0 HA GLN A 36 -8.518 10.459 5.345 1.00 32.32 H new ATOM 0 HB2 GLN A 36 -6.330 10.231 3.231 1.00 52.50 H new ATOM 0 HB3 GLN A 36 -6.963 11.744 3.847 1.00 52.50 H new ATOM 0 HG2 GLN A 36 -6.117 11.249 6.096 1.00 70.40 H new ATOM 0 HG3 GLN A 36 -5.619 9.644 5.600 1.00 70.40 H new ATOM 0 HE21 GLN A 36 -4.921 13.113 5.346 1.00 21.24 H new ATOM 0 HE22 GLN A 36 -3.276 12.935 4.729 1.00 21.24 H new ATOM 619 N GLY A 37 -10.442 10.002 3.651 1.00 20.32 N ATOM 620 CA GLY A 37 -11.576 10.282 2.760 1.00 13.20 C ATOM 621 C GLY A 37 -11.641 9.372 1.532 1.00 72.02 C ATOM 622 O GLY A 37 -12.172 8.259 1.597 1.00 74.31 O ATOM 0 H GLY A 37 -10.719 9.630 4.559 1.00 20.32 H new ATOM 0 HA2 GLY A 37 -12.503 10.180 3.325 1.00 13.20 H new ATOM 0 HA3 GLY A 37 -11.517 11.319 2.429 1.00 13.20 H new ATOM 626 N ASN A 38 -11.114 9.868 0.400 1.00 23.13 N ATOM 627 CA ASN A 38 -10.975 9.080 -0.839 1.00 53.12 C ATOM 628 C ASN A 38 -9.732 8.190 -0.735 1.00 14.22 C ATOM 629 O ASN A 38 -9.805 6.967 -0.901 1.00 12.55 O ATOM 630 CB ASN A 38 -10.846 10.008 -2.085 1.00 35.12 C ATOM 631 CG ASN A 38 -12.143 10.728 -2.450 1.00 14.02 C ATOM 632 OD1 ASN A 38 -12.419 11.827 -1.974 1.00 40.10 O ATOM 633 ND2 ASN A 38 -12.945 10.120 -3.306 1.00 42.15 N ATOM 0 H ASN A 38 -10.772 10.825 0.317 1.00 23.13 H new ATOM 0 HA ASN A 38 -11.868 8.467 -0.960 1.00 53.12 H new ATOM 0 HB2 ASN A 38 -10.070 10.749 -1.896 1.00 35.12 H new ATOM 0 HB3 ASN A 38 -10.518 9.413 -2.938 1.00 35.12 H new ATOM 0 HD21 ASN A 38 -13.820 10.563 -3.588 1.00 42.15 H new ATOM 0 HD22 ASN A 38 -12.690 9.208 -3.685 1.00 42.15 H new ATOM 640 N THR A 39 -8.605 8.832 -0.410 1.00 3.44 N ATOM 641 CA THR A 39 -7.277 8.227 -0.499 1.00 51.45 C ATOM 642 C THR A 39 -6.859 7.639 0.857 1.00 64.43 C ATOM 643 O THR A 39 -6.640 8.373 1.824 1.00 33.14 O ATOM 644 CB THR A 39 -6.236 9.291 -0.971 1.00 41.33 C ATOM 645 OG1 THR A 39 -6.736 9.969 -2.140 1.00 24.04 O ATOM 646 CG2 THR A 39 -4.866 8.659 -1.293 1.00 0.01 C ATOM 0 H THR A 39 -8.592 9.795 -0.075 1.00 3.44 H new ATOM 0 HA THR A 39 -7.312 7.417 -1.228 1.00 51.45 H new ATOM 0 HB THR A 39 -6.093 9.998 -0.154 1.00 41.33 H new ATOM 0 HG1 THR A 39 -6.083 10.638 -2.435 1.00 24.04 H new ATOM 0 HG21 THR A 39 -4.174 9.436 -1.617 1.00 0.01 H new ATOM 0 HG22 THR A 39 -4.472 8.171 -0.402 1.00 0.01 H new ATOM 0 HG23 THR A 39 -4.983 7.923 -2.088 1.00 0.01 H new ATOM 654 N ILE A 40 -6.805 6.308 0.928 1.00 51.15 N ATOM 655 CA ILE A 40 -6.219 5.598 2.060 1.00 62.22 C ATOM 656 C ILE A 40 -4.712 5.425 1.802 1.00 1.12 C ATOM 657 O ILE A 40 -4.304 4.654 0.921 1.00 24.42 O ATOM 658 CB ILE A 40 -6.906 4.204 2.285 1.00 71.52 C ATOM 659 CG1 ILE A 40 -8.444 4.392 2.468 1.00 54.25 C ATOM 660 CG2 ILE A 40 -6.276 3.464 3.495 1.00 45.10 C ATOM 661 CD1 ILE A 40 -9.224 3.124 2.771 1.00 63.04 C ATOM 0 H ILE A 40 -7.168 5.693 0.199 1.00 51.15 H new ATOM 0 HA ILE A 40 -6.378 6.180 2.968 1.00 62.22 H new ATOM 0 HB ILE A 40 -6.740 3.583 1.405 1.00 71.52 H new ATOM 0 HG12 ILE A 40 -8.612 5.104 3.276 1.00 54.25 H new ATOM 0 HG13 ILE A 40 -8.849 4.839 1.560 1.00 54.25 H new ATOM 0 HG21 ILE A 40 -6.769 2.501 3.630 1.00 45.10 H new ATOM 0 HG22 ILE A 40 -5.214 3.305 3.311 1.00 45.10 H new ATOM 0 HG23 ILE A 40 -6.402 4.065 4.395 1.00 45.10 H new ATOM 0 HD11 ILE A 40 -10.282 3.365 2.880 1.00 63.04 H new ATOM 0 HD12 ILE A 40 -9.096 2.414 1.954 1.00 63.04 H new ATOM 0 HD13 ILE A 40 -8.855 2.683 3.697 1.00 63.04 H new ATOM 673 N ARG A 41 -3.901 6.184 2.553 1.00 11.30 N ATOM 674 CA ARG A 41 -2.443 6.074 2.526 1.00 60.44 C ATOM 675 C ARG A 41 -2.013 4.929 3.444 1.00 60.51 C ATOM 676 O ARG A 41 -1.935 5.090 4.669 1.00 1.41 O ATOM 677 CB ARG A 41 -1.778 7.409 2.958 1.00 34.53 C ATOM 678 CG ARG A 41 -1.919 8.549 1.929 1.00 34.33 C ATOM 679 CD ARG A 41 -1.064 9.781 2.292 1.00 53.23 C ATOM 680 NE ARG A 41 -0.899 10.698 1.151 1.00 44.31 N ATOM 681 CZ ARG A 41 -0.424 11.951 1.216 1.00 45.13 C ATOM 682 NH1 ARG A 41 -0.063 12.495 2.379 1.00 12.44 N ATOM 683 NH2 ARG A 41 -0.279 12.642 0.093 1.00 61.10 N ATOM 0 H ARG A 41 -4.245 6.895 3.199 1.00 11.30 H new ATOM 0 HA ARG A 41 -2.117 5.863 1.508 1.00 60.44 H new ATOM 0 HB2 ARG A 41 -2.217 7.731 3.902 1.00 34.53 H new ATOM 0 HB3 ARG A 41 -0.719 7.231 3.143 1.00 34.53 H new ATOM 0 HG2 ARG A 41 -1.625 8.184 0.945 1.00 34.33 H new ATOM 0 HG3 ARG A 41 -2.966 8.845 1.860 1.00 34.33 H new ATOM 0 HD2 ARG A 41 -1.531 10.314 3.120 1.00 53.23 H new ATOM 0 HD3 ARG A 41 -0.084 9.452 2.637 1.00 53.23 H new ATOM 0 HE ARG A 41 -1.170 10.350 0.231 1.00 44.31 H new ATOM 0 HH11 ARG A 41 -0.146 11.957 3.241 1.00 12.44 H new ATOM 0 HH12 ARG A 41 0.296 13.449 2.406 1.00 12.44 H new ATOM 0 HH21 ARG A 41 -0.527 12.219 -0.802 1.00 61.10 H new ATOM 0 HH22 ARG A 41 0.081 13.596 0.124 1.00 61.10 H new ATOM 697 N VAL A 42 -1.794 3.758 2.842 1.00 60.44 N ATOM 698 CA VAL A 42 -1.274 2.587 3.546 1.00 35.30 C ATOM 699 C VAL A 42 0.256 2.650 3.495 1.00 21.11 C ATOM 700 O VAL A 42 0.841 2.617 2.417 1.00 13.10 O ATOM 701 CB VAL A 42 -1.780 1.239 2.911 1.00 73.40 C ATOM 702 CG1 VAL A 42 -1.319 0.011 3.735 1.00 52.33 C ATOM 703 CG2 VAL A 42 -3.307 1.246 2.764 1.00 74.05 C ATOM 0 H VAL A 42 -1.973 3.596 1.851 1.00 60.44 H new ATOM 0 HA VAL A 42 -1.634 2.603 4.575 1.00 35.30 H new ATOM 0 HB VAL A 42 -1.336 1.158 1.919 1.00 73.40 H new ATOM 0 HG11 VAL A 42 -1.687 -0.901 3.266 1.00 52.33 H new ATOM 0 HG12 VAL A 42 -0.230 -0.014 3.772 1.00 52.33 H new ATOM 0 HG13 VAL A 42 -1.715 0.083 4.748 1.00 52.33 H new ATOM 0 HG21 VAL A 42 -3.634 0.304 2.323 1.00 74.05 H new ATOM 0 HG22 VAL A 42 -3.766 1.366 3.745 1.00 74.05 H new ATOM 0 HG23 VAL A 42 -3.607 2.072 2.119 1.00 74.05 H new ATOM 713 N GLU A 43 0.878 2.821 4.656 1.00 74.35 N ATOM 714 CA GLU A 43 2.337 2.783 4.817 1.00 24.11 C ATOM 715 C GLU A 43 2.790 1.332 5.016 1.00 64.00 C ATOM 716 O GLU A 43 2.527 0.731 6.049 1.00 33.11 O ATOM 717 CB GLU A 43 2.742 3.665 6.019 1.00 5.42 C ATOM 718 CG GLU A 43 2.442 5.158 5.799 1.00 64.25 C ATOM 719 CD GLU A 43 2.812 6.036 6.996 1.00 42.31 C ATOM 720 OE1 GLU A 43 1.923 6.340 7.812 1.00 52.41 O ATOM 721 OE2 GLU A 43 3.995 6.423 7.124 1.00 2.30 O ATOM 0 H GLU A 43 0.380 2.993 5.529 1.00 74.35 H new ATOM 0 HA GLU A 43 2.825 3.174 3.924 1.00 24.11 H new ATOM 0 HB2 GLU A 43 2.214 3.321 6.909 1.00 5.42 H new ATOM 0 HB3 GLU A 43 3.807 3.539 6.212 1.00 5.42 H new ATOM 0 HG2 GLU A 43 2.987 5.505 4.921 1.00 64.25 H new ATOM 0 HG3 GLU A 43 1.380 5.280 5.583 1.00 64.25 H new ATOM 728 N LEU A 44 3.419 0.759 3.997 1.00 32.34 N ATOM 729 CA LEU A 44 3.941 -0.619 4.029 1.00 1.43 C ATOM 730 C LEU A 44 5.443 -0.623 4.313 1.00 15.23 C ATOM 731 O LEU A 44 6.082 0.424 4.326 1.00 22.05 O ATOM 732 CB LEU A 44 3.640 -1.370 2.714 1.00 13.54 C ATOM 733 CG LEU A 44 2.123 -1.527 2.350 1.00 22.03 C ATOM 734 CD1 LEU A 44 1.599 -0.304 1.590 1.00 74.03 C ATOM 735 CD2 LEU A 44 1.849 -2.817 1.565 1.00 71.51 C ATOM 0 H LEU A 44 3.587 1.236 3.111 1.00 32.34 H new ATOM 0 HA LEU A 44 3.431 -1.143 4.837 1.00 1.43 H new ATOM 0 HB2 LEU A 44 4.138 -0.848 1.897 1.00 13.54 H new ATOM 0 HB3 LEU A 44 4.084 -2.363 2.775 1.00 13.54 H new ATOM 0 HG LEU A 44 1.580 -1.597 3.292 1.00 22.03 H new ATOM 0 HD11 LEU A 44 0.545 -0.447 1.354 1.00 74.03 H new ATOM 0 HD12 LEU A 44 1.715 0.586 2.209 1.00 74.03 H new ATOM 0 HD13 LEU A 44 2.164 -0.180 0.666 1.00 74.03 H new ATOM 0 HD21 LEU A 44 0.786 -2.884 1.335 1.00 71.51 H new ATOM 0 HD22 LEU A 44 2.421 -2.807 0.637 1.00 71.51 H new ATOM 0 HD23 LEU A 44 2.145 -3.678 2.165 1.00 71.51 H new ATOM 747 N GLU A 45 5.980 -1.821 4.559 1.00 31.33 N ATOM 748 CA GLU A 45 7.380 -2.030 4.913 1.00 1.54 C ATOM 749 C GLU A 45 7.975 -3.134 4.016 1.00 4.21 C ATOM 750 O GLU A 45 7.726 -4.322 4.223 1.00 31.13 O ATOM 751 CB GLU A 45 7.424 -2.424 6.405 1.00 52.35 C ATOM 752 CG GLU A 45 8.814 -2.756 6.956 1.00 33.34 C ATOM 753 CD GLU A 45 8.754 -3.197 8.425 1.00 35.53 C ATOM 754 OE1 GLU A 45 8.292 -4.329 8.684 1.00 34.00 O ATOM 755 OE2 GLU A 45 9.160 -2.424 9.319 1.00 62.45 O ATOM 0 H GLU A 45 5.441 -2.686 4.516 1.00 31.33 H new ATOM 0 HA GLU A 45 7.973 -1.129 4.758 1.00 1.54 H new ATOM 0 HB2 GLU A 45 7.005 -1.607 6.992 1.00 52.35 H new ATOM 0 HB3 GLU A 45 6.777 -3.288 6.554 1.00 52.35 H new ATOM 0 HG2 GLU A 45 9.263 -3.548 6.357 1.00 33.34 H new ATOM 0 HG3 GLU A 45 9.459 -1.882 6.865 1.00 33.34 H new ATOM 762 N LEU A 46 8.774 -2.729 3.030 1.00 73.11 N ATOM 763 CA LEU A 46 9.379 -3.640 2.039 1.00 74.52 C ATOM 764 C LEU A 46 10.863 -3.823 2.390 1.00 4.44 C ATOM 765 O LEU A 46 11.510 -2.889 2.863 1.00 73.02 O ATOM 766 CB LEU A 46 9.151 -3.042 0.614 1.00 2.13 C ATOM 767 CG LEU A 46 9.629 -3.874 -0.636 1.00 13.33 C ATOM 768 CD1 LEU A 46 8.841 -3.482 -1.904 1.00 14.14 C ATOM 769 CD2 LEU A 46 11.135 -3.699 -0.908 1.00 3.42 C ATOM 0 H LEU A 46 9.027 -1.751 2.889 1.00 73.11 H new ATOM 0 HA LEU A 46 8.919 -4.628 2.053 1.00 74.52 H new ATOM 0 HB2 LEU A 46 8.083 -2.856 0.500 1.00 2.13 H new ATOM 0 HB3 LEU A 46 9.649 -2.073 0.578 1.00 2.13 H new ATOM 0 HG LEU A 46 9.438 -4.920 -0.397 1.00 13.33 H new ATOM 0 HD11 LEU A 46 9.194 -4.073 -2.749 1.00 14.14 H new ATOM 0 HD12 LEU A 46 7.779 -3.672 -1.746 1.00 14.14 H new ATOM 0 HD13 LEU A 46 8.992 -2.423 -2.114 1.00 14.14 H new ATOM 0 HD21 LEU A 46 11.419 -4.291 -1.778 1.00 3.42 H new ATOM 0 HD22 LEU A 46 11.351 -2.648 -1.098 1.00 3.42 H new ATOM 0 HD23 LEU A 46 11.703 -4.035 -0.040 1.00 3.42 H new ATOM 781 N ARG A 47 11.395 -5.039 2.177 1.00 10.13 N ATOM 782 CA ARG A 47 12.792 -5.377 2.524 1.00 23.21 C ATOM 783 C ARG A 47 13.639 -5.581 1.251 1.00 25.53 C ATOM 784 O ARG A 47 13.655 -6.668 0.666 1.00 53.43 O ATOM 785 CB ARG A 47 12.794 -6.646 3.420 1.00 61.23 C ATOM 786 CG ARG A 47 12.146 -6.428 4.808 1.00 53.43 C ATOM 787 CD ARG A 47 11.708 -7.733 5.502 1.00 31.44 C ATOM 788 NE ARG A 47 11.263 -7.512 6.897 1.00 24.12 N ATOM 789 CZ ARG A 47 10.202 -6.777 7.289 1.00 33.14 C ATOM 790 NH1 ARG A 47 9.420 -6.142 6.414 1.00 13.31 N ATOM 791 NH2 ARG A 47 9.934 -6.671 8.581 1.00 11.43 N ATOM 0 H ARG A 47 10.875 -5.813 1.762 1.00 10.13 H new ATOM 0 HA ARG A 47 13.243 -4.553 3.077 1.00 23.21 H new ATOM 0 HB2 ARG A 47 12.264 -7.446 2.903 1.00 61.23 H new ATOM 0 HB3 ARG A 47 13.822 -6.981 3.557 1.00 61.23 H new ATOM 0 HG2 ARG A 47 12.854 -5.905 5.451 1.00 53.43 H new ATOM 0 HG3 ARG A 47 11.278 -5.778 4.695 1.00 53.43 H new ATOM 0 HD2 ARG A 47 10.897 -8.189 4.933 1.00 31.44 H new ATOM 0 HD3 ARG A 47 12.538 -8.440 5.496 1.00 31.44 H new ATOM 0 HE ARG A 47 11.811 -7.958 7.632 1.00 24.12 H new ATOM 0 HH11 ARG A 47 9.617 -6.204 5.415 1.00 13.31 H new ATOM 0 HH12 ARG A 47 8.625 -5.594 6.744 1.00 13.31 H new ATOM 0 HH21 ARG A 47 10.526 -7.142 9.265 1.00 11.43 H new ATOM 0 HH22 ARG A 47 9.135 -6.119 8.892 1.00 11.43 H new ATOM 805 N THR A 48 14.367 -4.523 0.864 1.00 45.24 N ATOM 806 CA THR A 48 15.255 -4.510 -0.305 1.00 24.34 C ATOM 807 C THR A 48 16.668 -4.950 0.119 1.00 13.51 C ATOM 808 O THR A 48 17.370 -4.193 0.801 1.00 10.34 O ATOM 809 CB THR A 48 15.324 -3.084 -0.932 1.00 2.23 C ATOM 810 OG1 THR A 48 14.002 -2.638 -1.248 1.00 64.54 O ATOM 811 CG2 THR A 48 16.191 -3.038 -2.206 1.00 24.54 C ATOM 0 H THR A 48 14.354 -3.635 1.366 1.00 45.24 H new ATOM 0 HA THR A 48 14.858 -5.200 -1.050 1.00 24.34 H new ATOM 0 HB THR A 48 15.788 -2.429 -0.195 1.00 2.23 H new ATOM 0 HG1 THR A 48 13.998 -1.662 -1.334 1.00 64.54 H new ATOM 0 HG21 THR A 48 16.204 -2.022 -2.601 1.00 24.54 H new ATOM 0 HG22 THR A 48 17.208 -3.347 -1.965 1.00 24.54 H new ATOM 0 HG23 THR A 48 15.774 -3.712 -2.954 1.00 24.54 H new ATOM 819 N ASN A 49 17.038 -6.196 -0.246 1.00 72.00 N ATOM 820 CA ASN A 49 18.390 -6.760 -0.029 1.00 33.14 C ATOM 821 C ASN A 49 18.692 -6.922 1.485 1.00 15.33 C ATOM 822 O ASN A 49 19.848 -6.917 1.919 1.00 32.11 O ATOM 823 CB ASN A 49 19.451 -5.876 -0.780 1.00 64.11 C ATOM 824 CG ASN A 49 20.807 -6.555 -0.934 1.00 3.53 C ATOM 825 OD1 ASN A 49 21.728 -6.329 -0.151 1.00 3.40 O ATOM 826 ND2 ASN A 49 20.931 -7.406 -1.932 1.00 63.53 N ATOM 0 H ASN A 49 16.400 -6.847 -0.705 1.00 72.00 H new ATOM 0 HA ASN A 49 18.442 -7.764 -0.449 1.00 33.14 H new ATOM 0 HB2 ASN A 49 19.067 -5.621 -1.768 1.00 64.11 H new ATOM 0 HB3 ASN A 49 19.582 -4.940 -0.238 1.00 64.11 H new ATOM 0 HD21 ASN A 49 21.811 -7.901 -2.074 1.00 63.53 H new ATOM 0 HD22 ASN A 49 20.147 -7.570 -2.563 1.00 63.53 H new ATOM 833 N GLY A 50 17.614 -7.101 2.278 1.00 11.20 N ATOM 834 CA GLY A 50 17.712 -7.209 3.739 1.00 2.44 C ATOM 835 C GLY A 50 17.539 -5.871 4.449 1.00 71.35 C ATOM 836 O GLY A 50 17.380 -5.841 5.672 1.00 51.53 O ATOM 0 H GLY A 50 16.661 -7.174 1.922 1.00 11.20 H new ATOM 0 HA2 GLY A 50 16.954 -7.905 4.098 1.00 2.44 H new ATOM 0 HA3 GLY A 50 18.682 -7.631 4.002 1.00 2.44 H new ATOM 840 N LYS A 51 17.594 -4.760 3.682 1.00 11.13 N ATOM 841 CA LYS A 51 17.419 -3.389 4.202 1.00 35.13 C ATOM 842 C LYS A 51 15.949 -2.984 4.088 1.00 70.13 C ATOM 843 O LYS A 51 15.245 -3.433 3.194 1.00 73.22 O ATOM 844 CB LYS A 51 18.308 -2.359 3.437 1.00 1.12 C ATOM 845 CG LYS A 51 19.833 -2.540 3.639 1.00 23.14 C ATOM 846 CD LYS A 51 20.415 -3.775 2.901 1.00 53.13 C ATOM 847 CE LYS A 51 21.885 -4.032 3.241 1.00 52.21 C ATOM 848 NZ LYS A 51 22.437 -5.182 2.478 1.00 52.01 N ATOM 0 H LYS A 51 17.763 -4.792 2.677 1.00 11.13 H new ATOM 0 HA LYS A 51 17.730 -3.385 5.247 1.00 35.13 H new ATOM 0 HB2 LYS A 51 18.086 -2.429 2.372 1.00 1.12 H new ATOM 0 HB3 LYS A 51 18.030 -1.354 3.755 1.00 1.12 H new ATOM 0 HG2 LYS A 51 20.346 -1.644 3.290 1.00 23.14 H new ATOM 0 HG3 LYS A 51 20.041 -2.633 4.705 1.00 23.14 H new ATOM 0 HD2 LYS A 51 19.828 -4.656 3.159 1.00 53.13 H new ATOM 0 HD3 LYS A 51 20.316 -3.630 1.825 1.00 53.13 H new ATOM 0 HE2 LYS A 51 22.470 -3.138 3.024 1.00 52.21 H new ATOM 0 HE3 LYS A 51 21.982 -4.225 4.309 1.00 52.21 H new ATOM 0 HZ1 LYS A 51 23.438 -5.005 2.260 1.00 52.01 H new ATOM 0 HZ2 LYS A 51 22.354 -6.048 3.048 1.00 52.01 H new ATOM 0 HZ3 LYS A 51 21.905 -5.298 1.592 1.00 52.01 H new ATOM 862 N LYS A 52 15.506 -2.108 4.988 1.00 42.41 N ATOM 863 CA LYS A 52 14.093 -1.722 5.119 1.00 31.10 C ATOM 864 C LYS A 52 13.799 -0.378 4.414 1.00 64.04 C ATOM 865 O LYS A 52 14.307 0.673 4.825 1.00 11.02 O ATOM 866 CB LYS A 52 13.742 -1.603 6.615 1.00 34.13 C ATOM 867 CG LYS A 52 12.255 -1.305 6.906 1.00 75.21 C ATOM 868 CD LYS A 52 12.024 -0.855 8.363 1.00 53.24 C ATOM 869 CE LYS A 52 12.681 0.505 8.669 1.00 50.52 C ATOM 870 NZ LYS A 52 12.481 0.907 10.082 1.00 43.45 N ATOM 0 H LYS A 52 16.119 -1.639 5.655 1.00 42.41 H new ATOM 0 HA LYS A 52 13.484 -2.490 4.642 1.00 31.10 H new ATOM 0 HB2 LYS A 52 14.017 -2.532 7.114 1.00 34.13 H new ATOM 0 HB3 LYS A 52 14.350 -0.813 7.055 1.00 34.13 H new ATOM 0 HG2 LYS A 52 11.903 -0.528 6.228 1.00 75.21 H new ATOM 0 HG3 LYS A 52 11.662 -2.197 6.705 1.00 75.21 H new ATOM 0 HD2 LYS A 52 10.953 -0.789 8.555 1.00 53.24 H new ATOM 0 HD3 LYS A 52 12.423 -1.609 9.041 1.00 53.24 H new ATOM 0 HE2 LYS A 52 13.748 0.450 8.454 1.00 50.52 H new ATOM 0 HE3 LYS A 52 12.263 1.267 8.011 1.00 50.52 H new ATOM 0 HZ1 LYS A 52 12.937 1.827 10.249 1.00 43.45 H new ATOM 0 HZ2 LYS A 52 11.463 0.984 10.280 1.00 43.45 H new ATOM 0 HZ3 LYS A 52 12.902 0.192 10.709 1.00 43.45 H new ATOM 884 N GLU A 53 12.970 -0.430 3.362 1.00 60.21 N ATOM 885 CA GLU A 53 12.412 0.759 2.688 1.00 52.13 C ATOM 886 C GLU A 53 10.883 0.700 2.820 1.00 1.14 C ATOM 887 O GLU A 53 10.250 -0.211 2.282 1.00 12.54 O ATOM 888 CB GLU A 53 12.819 0.819 1.187 1.00 35.30 C ATOM 889 CG GLU A 53 14.329 0.965 0.934 1.00 65.42 C ATOM 890 CD GLU A 53 14.661 1.159 -0.555 1.00 63.31 C ATOM 891 OE1 GLU A 53 14.728 0.167 -1.296 1.00 73.43 O ATOM 892 OE2 GLU A 53 14.845 2.306 -0.990 1.00 73.04 O ATOM 0 H GLU A 53 12.662 -1.309 2.947 1.00 60.21 H new ATOM 0 HA GLU A 53 12.810 1.658 3.159 1.00 52.13 H new ATOM 0 HB2 GLU A 53 12.468 -0.087 0.693 1.00 35.30 H new ATOM 0 HB3 GLU A 53 12.304 1.657 0.718 1.00 35.30 H new ATOM 0 HG2 GLU A 53 14.709 1.815 1.501 1.00 65.42 H new ATOM 0 HG3 GLU A 53 14.844 0.079 1.305 1.00 65.42 H new ATOM 899 N ASN A 54 10.302 1.641 3.579 1.00 73.41 N ATOM 900 CA ASN A 54 8.839 1.748 3.758 1.00 63.04 C ATOM 901 C ASN A 54 8.211 2.481 2.553 1.00 51.43 C ATOM 902 O ASN A 54 8.651 3.577 2.203 1.00 73.31 O ATOM 903 CB ASN A 54 8.514 2.495 5.085 1.00 32.13 C ATOM 904 CG ASN A 54 8.982 1.730 6.330 1.00 73.05 C ATOM 905 OD1 ASN A 54 10.123 1.872 6.769 1.00 72.33 O ATOM 906 ND2 ASN A 54 8.106 0.914 6.908 1.00 24.52 N ATOM 0 H ASN A 54 10.829 2.351 4.087 1.00 73.41 H new ATOM 0 HA ASN A 54 8.414 0.746 3.814 1.00 63.04 H new ATOM 0 HB2 ASN A 54 8.987 3.477 5.069 1.00 32.13 H new ATOM 0 HB3 ASN A 54 7.439 2.660 5.149 1.00 32.13 H new ATOM 0 HD21 ASN A 54 8.373 0.385 7.738 1.00 24.52 H new ATOM 0 HD22 ASN A 54 7.167 0.817 6.521 1.00 24.52 H new ATOM 913 N TYR A 55 7.205 1.861 1.909 1.00 10.24 N ATOM 914 CA TYR A 55 6.492 2.456 0.756 1.00 4.13 C ATOM 915 C TYR A 55 5.042 2.762 1.147 1.00 70.51 C ATOM 916 O TYR A 55 4.280 1.849 1.466 1.00 64.01 O ATOM 917 CB TYR A 55 6.486 1.492 -0.461 1.00 50.11 C ATOM 918 CG TYR A 55 7.852 1.207 -1.098 1.00 32.11 C ATOM 919 CD1 TYR A 55 8.214 1.769 -2.326 1.00 31.23 C ATOM 920 CD2 TYR A 55 8.779 0.371 -0.479 1.00 60.51 C ATOM 921 CE1 TYR A 55 9.438 1.494 -2.909 1.00 53.34 C ATOM 922 CE2 TYR A 55 10.000 0.098 -1.056 1.00 61.03 C ATOM 923 CZ TYR A 55 10.331 0.664 -2.262 1.00 62.42 C ATOM 924 OH TYR A 55 11.557 0.394 -2.829 1.00 43.41 O ATOM 0 H TYR A 55 6.862 0.936 2.170 1.00 10.24 H new ATOM 0 HA TYR A 55 7.013 3.372 0.478 1.00 4.13 H new ATOM 0 HB2 TYR A 55 6.049 0.544 -0.147 1.00 50.11 H new ATOM 0 HB3 TYR A 55 5.830 1.908 -1.226 1.00 50.11 H new ATOM 0 HD1 TYR A 55 7.525 2.431 -2.829 1.00 31.23 H new ATOM 0 HD2 TYR A 55 8.535 -0.073 0.475 1.00 60.51 H new ATOM 0 HE1 TYR A 55 9.693 1.926 -3.865 1.00 53.34 H new ATOM 0 HE2 TYR A 55 10.697 -0.561 -0.559 1.00 61.03 H new ATOM 0 HH TYR A 55 12.063 -0.206 -2.243 1.00 43.41 H new ATOM 934 N THR A 56 4.669 4.040 1.087 1.00 41.53 N ATOM 935 CA THR A 56 3.302 4.502 1.307 1.00 33.13 C ATOM 936 C THR A 56 2.525 4.426 -0.020 1.00 3.32 C ATOM 937 O THR A 56 2.702 5.275 -0.900 1.00 23.21 O ATOM 938 CB THR A 56 3.306 5.963 1.861 1.00 31.20 C ATOM 939 OG1 THR A 56 4.158 6.037 3.018 1.00 24.53 O ATOM 940 CG2 THR A 56 1.890 6.460 2.220 1.00 63.13 C ATOM 0 H THR A 56 5.322 4.796 0.880 1.00 41.53 H new ATOM 0 HA THR A 56 2.815 3.864 2.045 1.00 33.13 H new ATOM 0 HB THR A 56 3.685 6.612 1.072 1.00 31.20 H new ATOM 0 HG1 THR A 56 4.161 6.954 3.364 1.00 24.53 H new ATOM 0 HG21 THR A 56 1.948 7.480 2.600 1.00 63.13 H new ATOM 0 HG22 THR A 56 1.261 6.440 1.330 1.00 63.13 H new ATOM 0 HG23 THR A 56 1.460 5.812 2.984 1.00 63.13 H new ATOM 948 N VAL A 57 1.681 3.399 -0.161 1.00 10.31 N ATOM 949 CA VAL A 57 0.856 3.192 -1.350 1.00 34.52 C ATOM 950 C VAL A 57 -0.500 3.882 -1.133 1.00 72.41 C ATOM 951 O VAL A 57 -1.337 3.430 -0.333 1.00 42.31 O ATOM 952 CB VAL A 57 0.667 1.670 -1.675 1.00 20.53 C ATOM 953 CG1 VAL A 57 -0.166 1.467 -2.962 1.00 4.00 C ATOM 954 CG2 VAL A 57 2.032 0.949 -1.785 1.00 1.23 C ATOM 0 H VAL A 57 1.552 2.683 0.554 1.00 10.31 H new ATOM 0 HA VAL A 57 1.361 3.630 -2.211 1.00 34.52 H new ATOM 0 HB VAL A 57 0.115 1.225 -0.847 1.00 20.53 H new ATOM 0 HG11 VAL A 57 -0.278 0.401 -3.158 1.00 4.00 H new ATOM 0 HG12 VAL A 57 -1.150 1.918 -2.833 1.00 4.00 H new ATOM 0 HG13 VAL A 57 0.342 1.939 -3.803 1.00 4.00 H new ATOM 0 HG21 VAL A 57 1.870 -0.105 -2.011 1.00 1.23 H new ATOM 0 HG22 VAL A 57 2.621 1.404 -2.581 1.00 1.23 H new ATOM 0 HG23 VAL A 57 2.568 1.039 -0.840 1.00 1.23 H new ATOM 964 N GLU A 58 -0.662 5.012 -1.822 1.00 22.13 N ATOM 965 CA GLU A 58 -1.842 5.878 -1.760 1.00 44.02 C ATOM 966 C GLU A 58 -2.913 5.332 -2.715 1.00 13.13 C ATOM 967 O GLU A 58 -2.798 5.492 -3.937 1.00 1.00 O ATOM 968 CB GLU A 58 -1.427 7.316 -2.169 1.00 4.01 C ATOM 969 CG GLU A 58 -0.199 7.859 -1.407 1.00 22.21 C ATOM 970 CD GLU A 58 0.340 9.165 -2.000 1.00 52.32 C ATOM 971 OE1 GLU A 58 1.298 9.116 -2.802 1.00 52.23 O ATOM 972 OE2 GLU A 58 -0.190 10.249 -1.665 1.00 41.03 O ATOM 0 H GLU A 58 0.050 5.363 -2.462 1.00 22.13 H new ATOM 0 HA GLU A 58 -2.251 5.900 -0.750 1.00 44.02 H new ATOM 0 HB2 GLU A 58 -1.214 7.331 -3.238 1.00 4.01 H new ATOM 0 HB3 GLU A 58 -2.270 7.987 -2.003 1.00 4.01 H new ATOM 0 HG2 GLU A 58 -0.468 8.023 -0.364 1.00 22.21 H new ATOM 0 HG3 GLU A 58 0.591 7.108 -1.418 1.00 22.21 H new ATOM 979 N VAL A 59 -3.922 4.648 -2.160 1.00 40.42 N ATOM 980 CA VAL A 59 -4.998 4.014 -2.941 1.00 70.11 C ATOM 981 C VAL A 59 -6.319 4.774 -2.703 1.00 20.32 C ATOM 982 O VAL A 59 -6.760 4.902 -1.559 1.00 4.34 O ATOM 983 CB VAL A 59 -5.170 2.501 -2.557 1.00 32.53 C ATOM 984 CG1 VAL A 59 -6.130 1.782 -3.531 1.00 21.30 C ATOM 985 CG2 VAL A 59 -3.804 1.773 -2.476 1.00 25.22 C ATOM 0 H VAL A 59 -4.017 4.517 -1.153 1.00 40.42 H new ATOM 0 HA VAL A 59 -4.730 4.060 -3.997 1.00 70.11 H new ATOM 0 HB VAL A 59 -5.616 2.467 -1.563 1.00 32.53 H new ATOM 0 HG11 VAL A 59 -6.229 0.736 -3.239 1.00 21.30 H new ATOM 0 HG12 VAL A 59 -7.108 2.262 -3.498 1.00 21.30 H new ATOM 0 HG13 VAL A 59 -5.731 1.840 -4.544 1.00 21.30 H new ATOM 0 HG21 VAL A 59 -3.964 0.729 -2.208 1.00 25.22 H new ATOM 0 HG22 VAL A 59 -3.305 1.827 -3.444 1.00 25.22 H new ATOM 0 HG23 VAL A 59 -3.181 2.251 -1.719 1.00 25.22 H new ATOM 995 N GLU A 60 -6.945 5.254 -3.783 1.00 23.15 N ATOM 996 CA GLU A 60 -8.163 6.077 -3.733 1.00 75.12 C ATOM 997 C GLU A 60 -9.399 5.241 -4.096 1.00 75.42 C ATOM 998 O GLU A 60 -9.333 4.351 -4.953 1.00 33.40 O ATOM 999 CB GLU A 60 -8.013 7.268 -4.706 1.00 14.31 C ATOM 1000 CG GLU A 60 -9.280 8.125 -4.909 1.00 43.33 C ATOM 1001 CD GLU A 60 -9.079 9.294 -5.879 1.00 54.15 C ATOM 1002 OE1 GLU A 60 -9.156 10.469 -5.459 1.00 23.01 O ATOM 1003 OE2 GLU A 60 -8.823 9.036 -7.073 1.00 30.23 O ATOM 0 H GLU A 60 -6.616 5.080 -4.733 1.00 23.15 H new ATOM 0 HA GLU A 60 -8.299 6.452 -2.719 1.00 75.12 H new ATOM 0 HB2 GLU A 60 -7.214 7.913 -4.342 1.00 14.31 H new ATOM 0 HB3 GLU A 60 -7.696 6.884 -5.676 1.00 14.31 H new ATOM 0 HG2 GLU A 60 -10.083 7.489 -5.281 1.00 43.33 H new ATOM 0 HG3 GLU A 60 -9.603 8.516 -3.944 1.00 43.33 H new ATOM 1010 N ARG A 61 -10.520 5.525 -3.411 1.00 4.51 N ATOM 1011 CA ARG A 61 -11.831 4.962 -3.735 1.00 44.23 C ATOM 1012 C ARG A 61 -12.434 5.739 -4.912 1.00 43.33 C ATOM 1013 O ARG A 61 -12.740 6.934 -4.787 1.00 61.45 O ATOM 1014 CB ARG A 61 -12.777 5.038 -2.507 1.00 14.34 C ATOM 1015 CG ARG A 61 -14.143 4.339 -2.701 1.00 13.14 C ATOM 1016 CD ARG A 61 -14.012 2.820 -2.950 1.00 31.12 C ATOM 1017 NE ARG A 61 -15.314 2.137 -2.857 1.00 63.34 N ATOM 1018 CZ ARG A 61 -15.499 0.884 -2.403 1.00 72.44 C ATOM 1019 NH1 ARG A 61 -14.476 0.162 -2.005 1.00 13.20 N ATOM 1020 NH2 ARG A 61 -16.715 0.366 -2.375 1.00 23.04 N ATOM 0 H ARG A 61 -10.536 6.158 -2.611 1.00 4.51 H new ATOM 0 HA ARG A 61 -11.712 3.914 -4.009 1.00 44.23 H new ATOM 0 HB2 ARG A 61 -12.274 4.591 -1.649 1.00 14.34 H new ATOM 0 HB3 ARG A 61 -12.952 6.086 -2.264 1.00 14.34 H new ATOM 0 HG2 ARG A 61 -14.759 4.505 -1.817 1.00 13.14 H new ATOM 0 HG3 ARG A 61 -14.663 4.796 -3.543 1.00 13.14 H new ATOM 0 HD2 ARG A 61 -13.581 2.649 -3.937 1.00 31.12 H new ATOM 0 HD3 ARG A 61 -13.323 2.390 -2.223 1.00 31.12 H new ATOM 0 HE ARG A 61 -16.139 2.654 -3.160 1.00 63.34 H new ATOM 0 HH11 ARG A 61 -13.534 0.551 -2.039 1.00 13.20 H new ATOM 0 HH12 ARG A 61 -14.624 -0.787 -1.662 1.00 13.20 H new ATOM 0 HH21 ARG A 61 -17.511 0.916 -2.697 1.00 23.04 H new ATOM 0 HH22 ARG A 61 -16.857 -0.584 -2.031 1.00 23.04 H new ATOM 1034 N GLN A 62 -12.545 5.073 -6.059 1.00 33.20 N ATOM 1035 CA GLN A 62 -13.252 5.583 -7.242 1.00 74.15 C ATOM 1036 C GLN A 62 -14.442 4.666 -7.520 1.00 13.22 C ATOM 1037 O GLN A 62 -14.277 3.570 -8.066 1.00 24.53 O ATOM 1038 CB GLN A 62 -12.292 5.685 -8.467 1.00 24.50 C ATOM 1039 CG GLN A 62 -11.273 6.848 -8.383 1.00 72.23 C ATOM 1040 CD GLN A 62 -11.886 8.259 -8.506 1.00 1.34 C ATOM 1041 OE1 GLN A 62 -13.034 8.514 -8.138 1.00 21.12 O ATOM 1042 NE2 GLN A 62 -11.094 9.199 -9.000 1.00 12.42 N ATOM 0 H GLN A 62 -12.141 4.147 -6.200 1.00 33.20 H new ATOM 0 HA GLN A 62 -13.616 6.593 -7.056 1.00 74.15 H new ATOM 0 HB2 GLN A 62 -11.747 4.746 -8.566 1.00 24.50 H new ATOM 0 HB3 GLN A 62 -12.888 5.804 -9.372 1.00 24.50 H new ATOM 0 HG2 GLN A 62 -10.743 6.780 -7.433 1.00 72.23 H new ATOM 0 HG3 GLN A 62 -10.532 6.720 -9.172 1.00 72.23 H new ATOM 0 HE21 GLN A 62 -10.147 8.964 -9.298 1.00 12.42 H new ATOM 0 HE22 GLN A 62 -11.431 10.158 -9.082 1.00 12.42 H new ATOM 1051 N GLY A 63 -15.631 5.109 -7.074 1.00 62.44 N ATOM 1052 CA GLY A 63 -16.843 4.308 -7.137 1.00 33.42 C ATOM 1053 C GLY A 63 -16.777 3.134 -6.165 1.00 25.12 C ATOM 1054 O GLY A 63 -16.885 3.330 -4.955 1.00 44.11 O ATOM 0 H GLY A 63 -15.767 6.032 -6.662 1.00 62.44 H new ATOM 0 HA2 GLY A 63 -17.706 4.930 -6.902 1.00 33.42 H new ATOM 0 HA3 GLY A 63 -16.985 3.936 -8.152 1.00 33.42 H new ATOM 1058 N ASN A 64 -16.578 1.921 -6.707 1.00 63.14 N ATOM 1059 CA ASN A 64 -16.364 0.686 -5.918 1.00 60.41 C ATOM 1060 C ASN A 64 -14.932 0.162 -6.109 1.00 52.23 C ATOM 1061 O ASN A 64 -14.445 -0.641 -5.301 1.00 62.14 O ATOM 1062 CB ASN A 64 -17.395 -0.407 -6.314 1.00 20.04 C ATOM 1063 CG ASN A 64 -18.826 -0.079 -5.878 1.00 1.30 C ATOM 1064 OD1 ASN A 64 -19.048 0.551 -4.843 1.00 1.03 O ATOM 1065 ND2 ASN A 64 -19.810 -0.501 -6.661 1.00 23.34 N ATOM 0 H ASN A 64 -16.560 1.764 -7.715 1.00 63.14 H new ATOM 0 HA ASN A 64 -16.507 0.929 -4.865 1.00 60.41 H new ATOM 0 HB2 ASN A 64 -17.374 -0.541 -7.396 1.00 20.04 H new ATOM 0 HB3 ASN A 64 -17.096 -1.356 -5.869 1.00 20.04 H new ATOM 0 HD21 ASN A 64 -20.780 -0.306 -6.412 1.00 23.34 H new ATOM 0 HD22 ASN A 64 -19.597 -1.021 -7.512 1.00 23.34 H new ATOM 1072 N THR A 65 -14.260 0.635 -7.175 1.00 34.34 N ATOM 1073 CA THR A 65 -12.925 0.152 -7.558 1.00 4.31 C ATOM 1074 C THR A 65 -11.833 0.966 -6.832 1.00 3.34 C ATOM 1075 O THR A 65 -11.866 2.202 -6.836 1.00 2.13 O ATOM 1076 CB THR A 65 -12.721 0.244 -9.114 1.00 23.23 C ATOM 1077 OG1 THR A 65 -12.823 1.611 -9.560 1.00 74.45 O ATOM 1078 CG2 THR A 65 -13.757 -0.604 -9.874 1.00 73.00 C ATOM 0 H THR A 65 -14.627 1.360 -7.791 1.00 34.34 H new ATOM 0 HA THR A 65 -12.844 -0.894 -7.262 1.00 4.31 H new ATOM 0 HB THR A 65 -11.724 -0.143 -9.327 1.00 23.23 H new ATOM 0 HG1 THR A 65 -13.218 2.158 -8.849 1.00 74.45 H new ATOM 0 HG21 THR A 65 -13.584 -0.515 -10.946 1.00 73.00 H new ATOM 0 HG22 THR A 65 -13.661 -1.648 -9.576 1.00 73.00 H new ATOM 0 HG23 THR A 65 -14.761 -0.250 -9.638 1.00 73.00 H new ATOM 1086 N TRP A 66 -10.896 0.260 -6.182 1.00 50.00 N ATOM 1087 CA TRP A 66 -9.699 0.864 -5.574 1.00 64.03 C ATOM 1088 C TRP A 66 -8.629 1.067 -6.655 1.00 11.41 C ATOM 1089 O TRP A 66 -8.355 0.145 -7.425 1.00 53.13 O ATOM 1090 CB TRP A 66 -9.173 -0.044 -4.436 1.00 50.44 C ATOM 1091 CG TRP A 66 -10.115 -0.105 -3.260 1.00 73.23 C ATOM 1092 CD1 TRP A 66 -10.969 -1.122 -2.919 1.00 52.53 C ATOM 1093 CD2 TRP A 66 -10.314 0.931 -2.285 1.00 14.04 C ATOM 1094 NE1 TRP A 66 -11.668 -0.783 -1.792 1.00 64.33 N ATOM 1095 CE2 TRP A 66 -11.286 0.470 -1.384 1.00 21.15 C ATOM 1096 CE3 TRP A 66 -9.758 2.202 -2.086 1.00 55.22 C ATOM 1097 CZ2 TRP A 66 -11.716 1.233 -0.302 1.00 13.42 C ATOM 1098 CZ3 TRP A 66 -10.185 2.959 -1.014 1.00 73.51 C ATOM 1099 CH2 TRP A 66 -11.158 2.469 -0.131 1.00 53.11 C ATOM 0 H TRP A 66 -10.947 -0.752 -6.062 1.00 50.00 H new ATOM 0 HA TRP A 66 -9.950 1.834 -5.145 1.00 64.03 H new ATOM 0 HB2 TRP A 66 -9.015 -1.051 -4.823 1.00 50.44 H new ATOM 0 HB3 TRP A 66 -8.203 0.324 -4.101 1.00 50.44 H new ATOM 0 HD1 TRP A 66 -11.074 -2.051 -3.459 1.00 52.53 H new ATOM 0 HE1 TRP A 66 -12.363 -1.369 -1.329 1.00 64.33 H new ATOM 0 HE3 TRP A 66 -9.007 2.583 -2.762 1.00 55.22 H new ATOM 0 HZ2 TRP A 66 -12.466 0.861 0.380 1.00 13.42 H new ATOM 0 HZ3 TRP A 66 -9.765 3.941 -0.853 1.00 73.51 H new ATOM 0 HH2 TRP A 66 -11.473 3.081 0.701 1.00 53.11 H new ATOM 1110 N THR A 67 -8.035 2.270 -6.704 1.00 73.20 N ATOM 1111 CA THR A 67 -7.060 2.651 -7.737 1.00 22.43 C ATOM 1112 C THR A 67 -5.824 3.311 -7.074 1.00 4.22 C ATOM 1113 O THR A 67 -5.940 4.296 -6.341 1.00 60.12 O ATOM 1114 CB THR A 67 -7.728 3.594 -8.808 1.00 51.41 C ATOM 1115 OG1 THR A 67 -6.792 3.911 -9.848 1.00 32.21 O ATOM 1116 CG2 THR A 67 -8.282 4.898 -8.197 1.00 44.41 C ATOM 0 H THR A 67 -8.219 3.009 -6.025 1.00 73.20 H new ATOM 0 HA THR A 67 -6.722 1.758 -8.263 1.00 22.43 H new ATOM 0 HB THR A 67 -8.573 3.043 -9.221 1.00 51.41 H new ATOM 0 HG1 THR A 67 -7.221 4.496 -10.507 1.00 32.21 H new ATOM 0 HG21 THR A 67 -8.730 5.506 -8.983 1.00 44.41 H new ATOM 0 HG22 THR A 67 -9.038 4.657 -7.449 1.00 44.41 H new ATOM 0 HG23 THR A 67 -7.470 5.453 -7.727 1.00 44.41 H new ATOM 1124 N VAL A 68 -4.647 2.716 -7.298 1.00 41.42 N ATOM 1125 CA VAL A 68 -3.374 3.193 -6.737 1.00 14.33 C ATOM 1126 C VAL A 68 -2.912 4.460 -7.478 1.00 42.45 C ATOM 1127 O VAL A 68 -2.444 4.382 -8.619 1.00 65.52 O ATOM 1128 CB VAL A 68 -2.281 2.072 -6.819 1.00 12.35 C ATOM 1129 CG1 VAL A 68 -0.905 2.570 -6.313 1.00 30.42 C ATOM 1130 CG2 VAL A 68 -2.748 0.818 -6.046 1.00 3.32 C ATOM 0 H VAL A 68 -4.548 1.883 -7.878 1.00 41.42 H new ATOM 0 HA VAL A 68 -3.525 3.441 -5.686 1.00 14.33 H new ATOM 0 HB VAL A 68 -2.149 1.804 -7.867 1.00 12.35 H new ATOM 0 HG11 VAL A 68 -0.176 1.763 -6.387 1.00 30.42 H new ATOM 0 HG12 VAL A 68 -0.576 3.412 -6.922 1.00 30.42 H new ATOM 0 HG13 VAL A 68 -0.992 2.886 -5.274 1.00 30.42 H new ATOM 0 HG21 VAL A 68 -1.982 0.045 -6.109 1.00 3.32 H new ATOM 0 HG22 VAL A 68 -2.917 1.077 -5.001 1.00 3.32 H new ATOM 0 HG23 VAL A 68 -3.675 0.446 -6.482 1.00 3.32 H new ATOM 1140 N LYS A 69 -3.086 5.616 -6.821 1.00 2.33 N ATOM 1141 CA LYS A 69 -2.752 6.934 -7.388 1.00 43.45 C ATOM 1142 C LYS A 69 -1.234 7.105 -7.507 1.00 41.33 C ATOM 1143 O LYS A 69 -0.721 7.453 -8.581 1.00 71.40 O ATOM 1144 CB LYS A 69 -3.360 8.057 -6.505 1.00 74.52 C ATOM 1145 CG LYS A 69 -4.892 7.959 -6.350 1.00 14.34 C ATOM 1146 CD LYS A 69 -5.647 8.057 -7.697 1.00 43.42 C ATOM 1147 CE LYS A 69 -5.533 9.446 -8.365 1.00 74.21 C ATOM 1148 NZ LYS A 69 -6.219 10.505 -7.584 1.00 3.51 N ATOM 0 H LYS A 69 -3.465 5.665 -5.875 1.00 2.33 H new ATOM 0 HA LYS A 69 -3.178 7.002 -8.389 1.00 43.45 H new ATOM 0 HB2 LYS A 69 -2.900 8.020 -5.517 1.00 74.52 H new ATOM 0 HB3 LYS A 69 -3.108 9.025 -6.938 1.00 74.52 H new ATOM 0 HG2 LYS A 69 -5.142 7.014 -5.868 1.00 14.34 H new ATOM 0 HG3 LYS A 69 -5.236 8.755 -5.689 1.00 14.34 H new ATOM 0 HD2 LYS A 69 -5.258 7.301 -8.379 1.00 43.42 H new ATOM 0 HD3 LYS A 69 -6.700 7.826 -7.533 1.00 43.42 H new ATOM 0 HE2 LYS A 69 -4.481 9.706 -8.480 1.00 74.21 H new ATOM 0 HE3 LYS A 69 -5.961 9.401 -9.366 1.00 74.21 H new ATOM 0 HZ1 LYS A 69 -6.159 11.408 -8.096 1.00 3.51 H new ATOM 0 HZ2 LYS A 69 -7.218 10.247 -7.452 1.00 3.51 H new ATOM 0 HZ3 LYS A 69 -5.761 10.603 -6.655 1.00 3.51 H new ATOM 1162 N ARG A 70 -0.534 6.834 -6.397 1.00 11.32 N ATOM 1163 CA ARG A 70 0.922 6.959 -6.330 1.00 23.34 C ATOM 1164 C ARG A 70 1.473 6.110 -5.175 1.00 44.33 C ATOM 1165 O ARG A 70 0.805 5.919 -4.164 1.00 22.01 O ATOM 1166 CB ARG A 70 1.336 8.454 -6.163 1.00 33.23 C ATOM 1167 CG ARG A 70 2.859 8.703 -6.235 1.00 14.45 C ATOM 1168 CD ARG A 70 3.466 8.253 -7.584 1.00 70.24 C ATOM 1169 NE ARG A 70 4.931 8.298 -7.583 1.00 31.43 N ATOM 1170 CZ ARG A 70 5.708 8.175 -8.671 1.00 33.14 C ATOM 1171 NH1 ARG A 70 5.170 7.999 -9.877 1.00 4.12 N ATOM 1172 NH2 ARG A 70 7.020 8.236 -8.546 1.00 14.51 N ATOM 0 H ARG A 70 -0.962 6.523 -5.525 1.00 11.32 H new ATOM 0 HA ARG A 70 1.348 6.592 -7.264 1.00 23.34 H new ATOM 0 HB2 ARG A 70 0.846 9.043 -6.938 1.00 33.23 H new ATOM 0 HB3 ARG A 70 0.965 8.817 -5.204 1.00 33.23 H new ATOM 0 HG2 ARG A 70 3.058 9.764 -6.086 1.00 14.45 H new ATOM 0 HG3 ARG A 70 3.351 8.169 -5.422 1.00 14.45 H new ATOM 0 HD2 ARG A 70 3.137 7.238 -7.806 1.00 70.24 H new ATOM 0 HD3 ARG A 70 3.087 8.893 -8.381 1.00 70.24 H new ATOM 0 HE ARG A 70 5.397 8.433 -6.686 1.00 31.43 H new ATOM 0 HH11 ARG A 70 4.156 7.956 -9.982 1.00 4.12 H new ATOM 0 HH12 ARG A 70 5.772 7.907 -10.695 1.00 4.12 H new ATOM 0 HH21 ARG A 70 7.439 8.376 -7.626 1.00 14.51 H new ATOM 0 HH22 ARG A 70 7.616 8.143 -9.369 1.00 14.51 H new ATOM 1186 N ILE A 71 2.691 5.575 -5.367 1.00 3.20 N ATOM 1187 CA ILE A 71 3.446 4.868 -4.325 1.00 33.13 C ATOM 1188 C ILE A 71 4.654 5.743 -3.939 1.00 13.52 C ATOM 1189 O ILE A 71 5.604 5.879 -4.722 1.00 14.34 O ATOM 1190 CB ILE A 71 3.902 3.450 -4.843 1.00 1.13 C ATOM 1191 CG1 ILE A 71 2.655 2.633 -5.315 1.00 44.44 C ATOM 1192 CG2 ILE A 71 4.709 2.676 -3.768 1.00 33.30 C ATOM 1193 CD1 ILE A 71 2.954 1.283 -5.938 1.00 23.31 C ATOM 0 H ILE A 71 3.182 5.623 -6.260 1.00 3.20 H new ATOM 0 HA ILE A 71 2.823 4.700 -3.447 1.00 33.13 H new ATOM 0 HB ILE A 71 4.570 3.594 -5.692 1.00 1.13 H new ATOM 0 HG12 ILE A 71 1.998 2.481 -4.459 1.00 44.44 H new ATOM 0 HG13 ILE A 71 2.103 3.233 -6.038 1.00 44.44 H new ATOM 0 HG21 ILE A 71 5.004 1.704 -4.164 1.00 33.30 H new ATOM 0 HG22 ILE A 71 5.600 3.245 -3.502 1.00 33.30 H new ATOM 0 HG23 ILE A 71 4.091 2.534 -2.882 1.00 33.30 H new ATOM 0 HD11 ILE A 71 2.020 0.802 -6.229 1.00 23.31 H new ATOM 0 HD12 ILE A 71 3.582 1.420 -6.818 1.00 23.31 H new ATOM 0 HD13 ILE A 71 3.475 0.656 -5.215 1.00 23.31 H new ATOM 1205 N THR A 72 4.579 6.377 -2.759 1.00 60.02 N ATOM 1206 CA THR A 72 5.627 7.268 -2.242 1.00 31.12 C ATOM 1207 C THR A 72 6.516 6.518 -1.233 1.00 0.42 C ATOM 1208 O THR A 72 6.090 6.230 -0.114 1.00 12.32 O ATOM 1209 CB THR A 72 5.005 8.536 -1.569 1.00 2.32 C ATOM 1210 OG1 THR A 72 4.147 9.210 -2.508 1.00 50.50 O ATOM 1211 CG2 THR A 72 6.085 9.521 -1.073 1.00 2.53 C ATOM 0 H THR A 72 3.781 6.284 -2.131 1.00 60.02 H new ATOM 0 HA THR A 72 6.239 7.593 -3.084 1.00 31.12 H new ATOM 0 HB THR A 72 4.435 8.199 -0.703 1.00 2.32 H new ATOM 0 HG1 THR A 72 3.217 8.946 -2.349 1.00 50.50 H new ATOM 0 HG21 THR A 72 5.606 10.385 -0.613 1.00 2.53 H new ATOM 0 HG22 THR A 72 6.720 9.025 -0.339 1.00 2.53 H new ATOM 0 HG23 THR A 72 6.693 9.849 -1.916 1.00 2.53 H new ATOM 1219 N ARG A 73 7.743 6.198 -1.646 1.00 45.21 N ATOM 1220 CA ARG A 73 8.753 5.578 -0.781 1.00 63.31 C ATOM 1221 C ARG A 73 9.339 6.621 0.198 1.00 14.12 C ATOM 1222 O ARG A 73 9.382 7.820 -0.112 1.00 62.14 O ATOM 1223 CB ARG A 73 9.881 5.000 -1.654 1.00 41.34 C ATOM 1224 CG ARG A 73 10.957 4.191 -0.882 1.00 72.33 C ATOM 1225 CD ARG A 73 12.290 4.160 -1.622 1.00 12.23 C ATOM 1226 NE ARG A 73 12.838 5.524 -1.781 1.00 15.13 N ATOM 1227 CZ ARG A 73 13.409 6.015 -2.887 1.00 64.24 C ATOM 1228 NH1 ARG A 73 13.526 5.268 -3.982 1.00 34.25 N ATOM 1229 NH2 ARG A 73 13.865 7.255 -2.884 1.00 4.04 N ATOM 0 H ARG A 73 8.069 6.363 -2.599 1.00 45.21 H new ATOM 0 HA ARG A 73 8.285 4.781 -0.203 1.00 63.31 H new ATOM 0 HB2 ARG A 73 9.439 4.355 -2.413 1.00 41.34 H new ATOM 0 HB3 ARG A 73 10.371 5.820 -2.178 1.00 41.34 H new ATOM 0 HG2 ARG A 73 11.101 4.630 0.105 1.00 72.33 H new ATOM 0 HG3 ARG A 73 10.603 3.171 -0.729 1.00 72.33 H new ATOM 0 HD2 ARG A 73 13.000 3.540 -1.074 1.00 12.23 H new ATOM 0 HD3 ARG A 73 12.156 3.701 -2.602 1.00 12.23 H new ATOM 0 HE ARG A 73 12.775 6.146 -0.975 1.00 15.13 H new ATOM 0 HH11 ARG A 73 13.178 4.309 -3.985 1.00 34.25 H new ATOM 0 HH12 ARG A 73 13.963 5.654 -4.819 1.00 34.25 H new ATOM 0 HH21 ARG A 73 13.780 7.828 -2.044 1.00 4.04 H new ATOM 0 HH22 ARG A 73 14.302 7.640 -3.721 1.00 4.04 H new ATOM 1243 N THR A 74 9.775 6.150 1.378 1.00 13.51 N ATOM 1244 CA THR A 74 10.517 6.965 2.350 1.00 53.34 C ATOM 1245 C THR A 74 11.990 7.106 1.892 1.00 11.42 C ATOM 1246 O THR A 74 12.521 6.229 1.190 1.00 71.12 O ATOM 1247 CB THR A 74 10.451 6.338 3.789 1.00 15.00 C ATOM 1248 OG1 THR A 74 11.017 7.243 4.751 1.00 63.22 O ATOM 1249 CG2 THR A 74 11.185 4.982 3.877 1.00 53.43 C ATOM 0 H THR A 74 9.621 5.189 1.684 1.00 13.51 H new ATOM 0 HA THR A 74 10.055 7.951 2.397 1.00 53.34 H new ATOM 0 HB THR A 74 9.398 6.164 4.008 1.00 15.00 H new ATOM 0 HG1 THR A 74 10.969 6.843 5.644 1.00 63.22 H new ATOM 0 HG21 THR A 74 11.109 4.592 4.892 1.00 53.43 H new ATOM 0 HG22 THR A 74 10.730 4.276 3.182 1.00 53.43 H new ATOM 0 HG23 THR A 74 12.235 5.119 3.619 1.00 53.43 H new ATOM 1257 N VAL A 75 12.631 8.220 2.273 1.00 45.24 N ATOM 1258 CA VAL A 75 14.046 8.487 1.953 1.00 2.02 C ATOM 1259 C VAL A 75 14.951 7.531 2.771 1.00 1.12 C ATOM 1260 O VAL A 75 15.086 7.693 3.991 1.00 23.55 O ATOM 1261 CB VAL A 75 14.421 9.997 2.237 1.00 54.55 C ATOM 1262 CG1 VAL A 75 15.906 10.296 1.900 1.00 4.40 C ATOM 1263 CG2 VAL A 75 13.472 10.958 1.468 1.00 42.32 C ATOM 0 H VAL A 75 12.186 8.963 2.812 1.00 45.24 H new ATOM 0 HA VAL A 75 14.205 8.307 0.890 1.00 2.02 H new ATOM 0 HB VAL A 75 14.290 10.169 3.305 1.00 54.55 H new ATOM 0 HG11 VAL A 75 16.123 11.344 2.109 1.00 4.40 H new ATOM 0 HG12 VAL A 75 16.552 9.663 2.509 1.00 4.40 H new ATOM 0 HG13 VAL A 75 16.088 10.091 0.845 1.00 4.40 H new ATOM 0 HG21 VAL A 75 13.750 11.990 1.680 1.00 42.32 H new ATOM 0 HG22 VAL A 75 13.555 10.772 0.397 1.00 42.32 H new ATOM 0 HG23 VAL A 75 12.444 10.787 1.787 1.00 42.32 H new ATOM 1273 N GLY A 76 15.515 6.510 2.090 1.00 40.13 N ATOM 1274 CA GLY A 76 16.373 5.512 2.746 1.00 44.11 C ATOM 1275 C GLY A 76 16.884 4.437 1.790 1.00 43.31 C ATOM 1276 O GLY A 76 17.069 3.282 2.197 1.00 55.43 O ATOM 0 H GLY A 76 15.389 6.359 1.089 1.00 40.13 H new ATOM 0 HA2 GLY A 76 17.224 6.018 3.202 1.00 44.11 H new ATOM 0 HA3 GLY A 76 15.815 5.036 3.553 1.00 44.11 H new ATOM 1280 N SER A 77 17.111 4.818 0.523 1.00 44.13 N ATOM 1281 CA SER A 77 17.648 3.916 -0.512 1.00 31.14 C ATOM 1282 C SER A 77 19.153 3.685 -0.322 1.00 72.12 C ATOM 1283 O SER A 77 19.881 4.631 0.000 1.00 24.52 O ATOM 1284 CB SER A 77 17.391 4.525 -1.903 1.00 64.23 C ATOM 1285 OG SER A 77 16.022 4.803 -2.089 1.00 70.35 O ATOM 0 H SER A 77 16.927 5.763 0.185 1.00 44.13 H new ATOM 0 HA SER A 77 17.143 2.954 -0.425 1.00 31.14 H new ATOM 0 HB2 SER A 77 17.970 5.442 -2.015 1.00 64.23 H new ATOM 0 HB3 SER A 77 17.734 3.835 -2.674 1.00 64.23 H new ATOM 0 HG SER A 77 15.489 4.041 -1.781 1.00 70.35 H new ATOM 1291 N LEU A 78 19.608 2.440 -0.537 1.00 14.24 N ATOM 1292 CA LEU A 78 21.038 2.110 -0.511 1.00 73.45 C ATOM 1293 C LEU A 78 21.661 2.544 -1.851 1.00 12.43 C ATOM 1294 O LEU A 78 21.452 1.891 -2.883 1.00 44.20 O ATOM 1295 CB LEU A 78 21.269 0.586 -0.226 1.00 61.02 C ATOM 1296 CG LEU A 78 22.689 0.176 0.337 1.00 24.34 C ATOM 1297 CD1 LEU A 78 22.656 -1.240 0.936 1.00 30.44 C ATOM 1298 CD2 LEU A 78 23.817 0.279 -0.722 1.00 21.02 C ATOM 0 H LEU A 78 19.001 1.644 -0.731 1.00 14.24 H new ATOM 0 HA LEU A 78 21.525 2.647 0.303 1.00 73.45 H new ATOM 0 HB2 LEU A 78 20.512 0.254 0.485 1.00 61.02 H new ATOM 0 HB3 LEU A 78 21.099 0.037 -1.152 1.00 61.02 H new ATOM 0 HG LEU A 78 22.921 0.896 1.122 1.00 24.34 H new ATOM 0 HD11 LEU A 78 23.645 -1.497 1.316 1.00 30.44 H new ATOM 0 HD12 LEU A 78 21.934 -1.273 1.752 1.00 30.44 H new ATOM 0 HD13 LEU A 78 22.366 -1.954 0.165 1.00 30.44 H new ATOM 0 HD21 LEU A 78 24.766 -0.016 -0.273 1.00 21.02 H new ATOM 0 HD22 LEU A 78 23.591 -0.381 -1.559 1.00 21.02 H new ATOM 0 HD23 LEU A 78 23.888 1.306 -1.079 1.00 21.02 H new ATOM 1310 N GLU A 79 22.372 3.681 -1.823 1.00 14.43 N ATOM 1311 CA GLU A 79 23.139 4.185 -2.971 1.00 31.13 C ATOM 1312 C GLU A 79 24.327 3.233 -3.241 1.00 63.44 C ATOM 1313 O GLU A 79 25.169 2.989 -2.363 1.00 14.25 O ATOM 1314 CB GLU A 79 23.610 5.643 -2.714 1.00 62.35 C ATOM 1315 CG GLU A 79 24.441 5.825 -1.429 1.00 24.23 C ATOM 1316 CD GLU A 79 24.835 7.281 -1.171 1.00 43.42 C ATOM 1317 OE1 GLU A 79 25.773 7.776 -1.828 1.00 23.03 O ATOM 1318 OE2 GLU A 79 24.209 7.943 -0.318 1.00 51.20 O ATOM 0 H GLU A 79 22.431 4.279 -0.999 1.00 14.43 H new ATOM 0 HA GLU A 79 22.507 4.208 -3.859 1.00 31.13 H new ATOM 0 HB2 GLU A 79 24.203 5.976 -3.566 1.00 62.35 H new ATOM 0 HB3 GLU A 79 22.735 6.291 -2.661 1.00 62.35 H new ATOM 0 HG2 GLU A 79 23.870 5.453 -0.578 1.00 24.23 H new ATOM 0 HG3 GLU A 79 25.343 5.217 -1.498 1.00 24.23 H new ATOM 1325 N HIS A 80 24.355 2.663 -4.451 1.00 61.32 N ATOM 1326 CA HIS A 80 25.277 1.576 -4.810 1.00 51.31 C ATOM 1327 C HIS A 80 26.664 2.132 -5.169 1.00 44.30 C ATOM 1328 O HIS A 80 26.917 2.524 -6.320 1.00 2.13 O ATOM 1329 CB HIS A 80 24.682 0.734 -5.970 1.00 53.13 C ATOM 1330 CG HIS A 80 23.311 0.185 -5.674 1.00 12.50 C ATOM 1331 ND1 HIS A 80 22.220 0.373 -6.499 1.00 24.22 N ATOM 1332 CD2 HIS A 80 22.862 -0.554 -4.629 1.00 21.11 C ATOM 1333 CE1 HIS A 80 21.170 -0.224 -5.973 1.00 70.23 C ATOM 1334 NE2 HIS A 80 21.533 -0.792 -4.843 1.00 71.15 N ATOM 0 H HIS A 80 23.737 2.943 -5.213 1.00 61.32 H new ATOM 0 HA HIS A 80 25.404 0.922 -3.947 1.00 51.31 H new ATOM 0 HB2 HIS A 80 24.631 1.351 -6.867 1.00 53.13 H new ATOM 0 HB3 HIS A 80 25.356 -0.094 -6.190 1.00 53.13 H new ATOM 0 HD2 HIS A 80 23.446 -0.891 -3.785 1.00 21.11 H new ATOM 0 HE1 HIS A 80 20.177 -0.244 -6.398 1.00 70.23 H new ATOM 0 HE2 HIS A 80 20.921 -1.325 -4.225 1.00 71.15 H new ATOM 1343 N HIS A 81 27.542 2.203 -4.149 1.00 40.42 N ATOM 1344 CA HIS A 81 28.952 2.570 -4.327 1.00 40.42 C ATOM 1345 C HIS A 81 29.689 1.388 -4.968 1.00 62.12 C ATOM 1346 O HIS A 81 29.700 0.285 -4.407 1.00 72.51 O ATOM 1347 CB HIS A 81 29.602 2.962 -2.972 1.00 23.41 C ATOM 1348 CG HIS A 81 29.026 4.211 -2.356 1.00 72.20 C ATOM 1349 ND1 HIS A 81 28.621 4.293 -1.042 1.00 41.30 N ATOM 1350 CD2 HIS A 81 28.808 5.441 -2.884 1.00 72.43 C ATOM 1351 CE1 HIS A 81 28.177 5.506 -0.795 1.00 62.34 C ATOM 1352 NE2 HIS A 81 28.278 6.225 -1.894 1.00 14.14 N ATOM 0 H HIS A 81 27.289 2.007 -3.181 1.00 40.42 H new ATOM 0 HA HIS A 81 29.022 3.441 -4.979 1.00 40.42 H new ATOM 0 HB2 HIS A 81 29.484 2.136 -2.271 1.00 23.41 H new ATOM 0 HB3 HIS A 81 30.673 3.103 -3.121 1.00 23.41 H new ATOM 0 HD2 HIS A 81 29.015 5.746 -3.899 1.00 72.43 H new ATOM 0 HE1 HIS A 81 27.793 5.855 0.152 1.00 62.34 H new ATOM 0 HE2 HIS A 81 28.007 7.203 -1.992 1.00 14.14 H new ATOM 1361 N HIS A 82 30.280 1.624 -6.151 1.00 21.24 N ATOM 1362 CA HIS A 82 30.954 0.580 -6.944 1.00 54.32 C ATOM 1363 C HIS A 82 32.461 0.893 -7.048 1.00 73.32 C ATOM 1364 O HIS A 82 32.862 1.952 -7.550 1.00 74.32 O ATOM 1365 CB HIS A 82 30.288 0.430 -8.347 1.00 13.51 C ATOM 1366 CG HIS A 82 30.390 1.642 -9.248 1.00 32.44 C ATOM 1367 ND1 HIS A 82 31.323 1.742 -10.259 1.00 20.25 N ATOM 1368 CD2 HIS A 82 29.659 2.783 -9.309 1.00 2.14 C ATOM 1369 CE1 HIS A 82 31.178 2.891 -10.879 1.00 52.11 C ATOM 1370 NE2 HIS A 82 30.174 3.542 -10.328 1.00 52.30 N ATOM 0 H HIS A 82 30.304 2.546 -6.586 1.00 21.24 H new ATOM 0 HA HIS A 82 30.845 -0.380 -6.439 1.00 54.32 H new ATOM 0 HB2 HIS A 82 30.742 -0.420 -8.857 1.00 13.51 H new ATOM 0 HB3 HIS A 82 29.234 0.191 -8.206 1.00 13.51 H new ATOM 0 HD1 HIS A 82 32.019 1.033 -10.490 1.00 20.25 H new ATOM 0 HD2 HIS A 82 28.826 3.045 -8.673 1.00 2.14 H new ATOM 0 HE1 HIS A 82 31.781 3.243 -11.703 1.00 52.11 H new ATOM 1379 N HIS A 83 33.277 -0.033 -6.529 1.00 4.02 N ATOM 1380 CA HIS A 83 34.739 0.107 -6.433 1.00 52.52 C ATOM 1381 C HIS A 83 35.438 -0.136 -7.793 1.00 32.12 C ATOM 1382 O HIS A 83 36.489 0.457 -8.060 1.00 75.32 O ATOM 1383 CB HIS A 83 35.263 -0.873 -5.349 1.00 52.24 C ATOM 1384 CG HIS A 83 36.737 -0.770 -5.036 1.00 31.44 C ATOM 1385 ND1 HIS A 83 37.556 -1.871 -4.915 1.00 3.10 N ATOM 1386 CD2 HIS A 83 37.530 0.303 -4.784 1.00 13.44 C ATOM 1387 CE1 HIS A 83 38.775 -1.482 -4.598 1.00 54.15 C ATOM 1388 NE2 HIS A 83 38.783 -0.170 -4.513 1.00 15.41 N ATOM 0 H HIS A 83 32.935 -0.919 -6.156 1.00 4.02 H new ATOM 0 HA HIS A 83 34.976 1.132 -6.148 1.00 52.52 H new ATOM 0 HB2 HIS A 83 34.702 -0.704 -4.430 1.00 52.24 H new ATOM 0 HB3 HIS A 83 35.048 -1.892 -5.671 1.00 52.24 H new ATOM 0 HD2 HIS A 83 37.226 1.339 -4.796 1.00 13.44 H new ATOM 0 HE1 HIS A 83 39.623 -2.131 -4.436 1.00 54.15 H new ATOM 0 HE2 HIS A 83 39.595 0.403 -4.282 1.00 15.41 H new ATOM 1397 N HIS A 84 34.858 -1.012 -8.643 1.00 23.23 N ATOM 1398 CA HIS A 84 35.437 -1.328 -9.977 1.00 70.42 C ATOM 1399 C HIS A 84 34.786 -0.462 -11.075 1.00 74.13 C ATOM 1400 O HIS A 84 33.902 0.361 -10.788 1.00 63.04 O ATOM 1401 CB HIS A 84 35.310 -2.851 -10.297 1.00 11.22 C ATOM 1402 CG HIS A 84 33.924 -3.341 -10.660 1.00 33.45 C ATOM 1403 ND1 HIS A 84 33.520 -3.560 -11.959 1.00 73.21 N ATOM 1404 CD2 HIS A 84 32.867 -3.695 -9.891 1.00 15.33 C ATOM 1405 CE1 HIS A 84 32.286 -4.023 -11.963 1.00 22.32 C ATOM 1406 NE2 HIS A 84 31.866 -4.113 -10.724 1.00 12.41 N ATOM 0 H HIS A 84 33.994 -1.513 -8.435 1.00 23.23 H new ATOM 0 HA HIS A 84 36.500 -1.088 -9.953 1.00 70.42 H new ATOM 0 HB2 HIS A 84 35.984 -3.086 -11.121 1.00 11.22 H new ATOM 0 HB3 HIS A 84 35.657 -3.414 -9.431 1.00 11.22 H new ATOM 0 HD1 HIS A 84 34.088 -3.390 -12.789 1.00 73.21 H new ATOM 0 HD2 HIS A 84 32.822 -3.654 -8.813 1.00 15.33 H new ATOM 0 HE1 HIS A 84 31.715 -4.285 -12.842 1.00 22.32 H new ATOM 1415 N HIS A 85 35.260 -0.632 -12.324 1.00 53.53 N ATOM 1416 CA HIS A 85 34.697 0.055 -13.500 1.00 21.02 C ATOM 1417 C HIS A 85 33.393 -0.650 -13.942 1.00 61.04 C ATOM 1418 O HIS A 85 32.310 -0.034 -13.861 1.00 24.02 O ATOM 1419 CB HIS A 85 35.726 0.100 -14.664 1.00 41.12 C ATOM 1420 CG HIS A 85 35.171 0.693 -15.941 1.00 44.41 C ATOM 1421 ND1 HIS A 85 34.807 -0.073 -17.030 1.00 70.51 N ATOM 1422 CD2 HIS A 85 34.896 1.977 -16.290 1.00 0.04 C ATOM 1423 CE1 HIS A 85 34.343 0.708 -17.984 1.00 44.34 C ATOM 1424 NE2 HIS A 85 34.381 1.954 -17.562 1.00 71.23 N ATOM 1425 OXT HIS A 85 33.458 -1.836 -14.341 1.00 36.53 O ATOM 0 H HIS A 85 36.042 -1.248 -12.545 1.00 53.53 H new ATOM 0 HA HIS A 85 34.465 1.085 -13.227 1.00 21.02 H new ATOM 0 HB2 HIS A 85 36.592 0.682 -14.350 1.00 41.12 H new ATOM 0 HB3 HIS A 85 36.078 -0.912 -14.866 1.00 41.12 H new ATOM 0 HD2 HIS A 85 35.054 2.854 -15.679 1.00 0.04 H new ATOM 0 HE1 HIS A 85 33.990 0.381 -18.951 1.00 44.34 H new ATOM 0 HE2 HIS A 85 34.077 2.770 -18.094 1.00 71.23 H new TER 1434 HIS A 85