USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 658 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 72 GLN : amide:sc= -0.939 X(o=-1.1,f=-0.9) USER MOD Set 1.2: A 73 MET CE :methyl -159:sc= -0.149 (180deg=-0.666) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 166:sc= 0.391 (180deg=0.0749) USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 1 SER N :NH3+ -107:sc= 0.0425 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -167:sc= -0.0109 (180deg=-0.237) USER MOD Single : A 4 SER OG : rot 108:sc= 0.112 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 9 LYS NZ :NH3+ 175:sc=-0.00121 (180deg=-0.0338) USER MOD Single : A 12 ASN :FLIP amide:sc=-0.00126 F(o=-1.7,f=-0.0013) USER MOD Single : A 15 THR OG1 : rot 100:sc= 0.366 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0867 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -162:sc= 0.0858 USER MOD Single : A 20 GLN : amide:sc= -2.37! C(o=-2.4!,f=-6.8!) USER MOD Single : A 26 LYS NZ :NH3+ 135:sc= -1.13 (180deg=-2.68!) USER MOD Single : A 29 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0151) USER MOD Single : A 31 THR OG1 : rot -123:sc= 0.568 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.423 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0415 X(o=-0.042,f=-0.042) USER MOD Single : A 44 MET CE :methyl 164:sc= -0.116 (180deg=-0.502) USER MOD Single : A 46 THR OG1 : rot -71:sc= 0.981 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.44) USER MOD Single : A 58 GLN : amide:sc= -0.0118 K(o=-0.012,f=-1.8!) USER MOD Single : A 59 ASN : amide:sc= 0.71 K(o=0.71,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0328 (180deg=-0.253) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc=-0.00691 (180deg=-0.141) USER MOD Single : A 74 GLN : amide:sc= 0.159 K(o=0.16,f=-5.4!) USER MOD Single : A 75 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.00056) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.252 17.341 -6.131 1.00 31.21 N ATOM 2 CA SER A 1 -15.269 17.840 -5.127 1.00 32.35 C ATOM 3 C SER A 1 -15.350 17.029 -3.816 1.00 21.30 C ATOM 4 O SER A 1 -16.397 16.456 -3.498 1.00 64.02 O ATOM 5 CB SER A 1 -15.503 19.342 -4.839 1.00 73.24 C ATOM 6 OG SER A 1 -16.785 19.587 -4.275 1.00 41.30 O ATOM 0 H1 SER A 1 -15.750 16.825 -6.882 1.00 31.21 H new ATOM 0 H2 SER A 1 -16.930 16.704 -5.666 1.00 31.21 H new ATOM 0 H3 SER A 1 -16.763 18.146 -6.546 1.00 31.21 H new ATOM 0 HA SER A 1 -14.271 17.712 -5.546 1.00 32.35 H new ATOM 0 HB2 SER A 1 -14.733 19.704 -4.158 1.00 73.24 H new ATOM 0 HB3 SER A 1 -15.401 19.908 -5.765 1.00 73.24 H new ATOM 0 HG SER A 1 -16.891 20.547 -4.107 1.00 41.30 H new ATOM 14 N HIS A 2 -14.237 16.991 -3.052 1.00 31.10 N ATOM 15 CA HIS A 2 -14.156 16.234 -1.775 1.00 55.33 C ATOM 16 C HIS A 2 -13.135 16.881 -0.806 1.00 73.21 C ATOM 17 O HIS A 2 -12.099 17.398 -1.246 1.00 14.51 O ATOM 18 CB HIS A 2 -13.793 14.741 -2.047 1.00 62.04 C ATOM 19 CG HIS A 2 -12.439 14.534 -2.689 1.00 52.20 C ATOM 20 ND1 HIS A 2 -11.346 14.049 -2.001 1.00 15.42 N ATOM 21 CD2 HIS A 2 -12.008 14.740 -3.963 1.00 51.01 C ATOM 22 CE1 HIS A 2 -10.305 13.988 -2.804 1.00 1.22 C ATOM 23 NE2 HIS A 2 -10.678 14.397 -3.999 1.00 51.32 N ATOM 0 H HIS A 2 -13.375 17.478 -3.296 1.00 31.10 H new ATOM 0 HA HIS A 2 -15.135 16.269 -1.298 1.00 55.33 H new ATOM 0 HB2 HIS A 2 -13.822 14.195 -1.104 1.00 62.04 H new ATOM 0 HB3 HIS A 2 -14.557 14.305 -2.691 1.00 62.04 H new ATOM 0 HD2 HIS A 2 -12.600 15.104 -4.790 1.00 51.01 H new ATOM 0 HE1 HIS A 2 -9.314 13.659 -2.530 1.00 1.22 H new ATOM 0 HE2 HIS A 2 -10.076 14.451 -4.820 1.00 51.32 H new ATOM 32 N MET A 3 -13.443 16.851 0.506 1.00 72.51 N ATOM 33 CA MET A 3 -12.552 17.387 1.557 1.00 41.11 C ATOM 34 C MET A 3 -11.362 16.417 1.830 1.00 43.41 C ATOM 35 O MET A 3 -11.561 15.267 2.245 1.00 23.44 O ATOM 36 CB MET A 3 -13.355 17.699 2.864 1.00 33.25 C ATOM 37 CG MET A 3 -14.147 16.519 3.480 1.00 44.34 C ATOM 38 SD MET A 3 -15.536 15.939 2.463 1.00 61.50 S ATOM 39 CE MET A 3 -16.639 17.350 2.504 1.00 30.23 C ATOM 0 H MET A 3 -14.312 16.457 0.867 1.00 72.51 H new ATOM 0 HA MET A 3 -12.130 18.326 1.199 1.00 41.11 H new ATOM 0 HB2 MET A 3 -12.657 18.071 3.614 1.00 33.25 H new ATOM 0 HB3 MET A 3 -14.055 18.507 2.651 1.00 33.25 H new ATOM 0 HG2 MET A 3 -13.463 15.687 3.649 1.00 44.34 H new ATOM 0 HG3 MET A 3 -14.528 16.822 4.455 1.00 44.34 H new ATOM 0 HE1 MET A 3 -17.618 17.058 2.123 1.00 30.23 H new ATOM 0 HE2 MET A 3 -16.739 17.704 3.530 1.00 30.23 H new ATOM 0 HE3 MET A 3 -16.232 18.148 1.883 1.00 30.23 H new ATOM 49 N SER A 4 -10.128 16.902 1.565 1.00 1.32 N ATOM 50 CA SER A 4 -8.878 16.099 1.671 1.00 5.15 C ATOM 51 C SER A 4 -7.631 17.009 1.523 1.00 64.45 C ATOM 52 O SER A 4 -7.759 18.198 1.211 1.00 32.20 O ATOM 53 CB SER A 4 -8.849 14.984 0.587 1.00 72.40 C ATOM 54 OG SER A 4 -7.724 14.124 0.731 1.00 3.22 O ATOM 0 H SER A 4 -9.965 17.865 1.270 1.00 1.32 H new ATOM 0 HA SER A 4 -8.859 15.632 2.656 1.00 5.15 H new ATOM 0 HB2 SER A 4 -9.764 14.396 0.649 1.00 72.40 H new ATOM 0 HB3 SER A 4 -8.830 15.442 -0.402 1.00 72.40 H new ATOM 0 HG SER A 4 -8.020 13.251 1.064 1.00 3.22 H new ATOM 60 N ASN A 5 -6.424 16.442 1.751 1.00 41.34 N ATOM 61 CA ASN A 5 -5.145 17.161 1.540 1.00 23.45 C ATOM 62 C ASN A 5 -4.836 17.250 0.018 1.00 31.12 C ATOM 63 O ASN A 5 -4.307 16.308 -0.581 1.00 43.04 O ATOM 64 CB ASN A 5 -3.998 16.456 2.319 1.00 73.10 C ATOM 65 CG ASN A 5 -2.667 17.211 2.243 1.00 72.22 C ATOM 66 OD1 ASN A 5 -1.835 16.950 1.382 1.00 5.04 O ATOM 67 ND2 ASN A 5 -2.462 18.163 3.136 1.00 45.54 N ATOM 0 H ASN A 5 -6.309 15.484 2.083 1.00 41.34 H new ATOM 0 HA ASN A 5 -5.229 18.177 1.926 1.00 23.45 H new ATOM 0 HB2 ASN A 5 -4.289 16.349 3.364 1.00 73.10 H new ATOM 0 HB3 ASN A 5 -3.862 15.450 1.921 1.00 73.10 H new ATOM 0 HD21 ASN A 5 -1.595 18.700 3.119 1.00 45.54 H new ATOM 0 HD22 ASN A 5 -3.171 18.361 3.843 1.00 45.54 H new ATOM 74 N LYS A 6 -5.212 18.387 -0.594 1.00 23.32 N ATOM 75 CA LYS A 6 -5.154 18.600 -2.063 1.00 40.33 C ATOM 76 C LYS A 6 -4.313 19.855 -2.435 1.00 72.21 C ATOM 77 O LYS A 6 -4.808 20.815 -3.043 1.00 60.02 O ATOM 78 CB LYS A 6 -6.617 18.672 -2.612 1.00 74.34 C ATOM 79 CG LYS A 6 -7.556 19.627 -1.831 1.00 10.31 C ATOM 80 CD LYS A 6 -9.019 19.568 -2.321 1.00 11.13 C ATOM 81 CE LYS A 6 -9.965 20.444 -1.477 1.00 4.35 C ATOM 82 NZ LYS A 6 -9.580 21.885 -1.484 1.00 1.22 N ATOM 0 H LYS A 6 -5.569 19.195 -0.084 1.00 23.32 H new ATOM 0 HA LYS A 6 -4.641 17.762 -2.534 1.00 40.33 H new ATOM 0 HB2 LYS A 6 -6.584 18.989 -3.654 1.00 74.34 H new ATOM 0 HB3 LYS A 6 -7.046 17.670 -2.597 1.00 74.34 H new ATOM 0 HG2 LYS A 6 -7.523 19.374 -0.771 1.00 10.31 H new ATOM 0 HG3 LYS A 6 -7.188 20.648 -1.926 1.00 10.31 H new ATOM 0 HD2 LYS A 6 -9.063 19.891 -3.361 1.00 11.13 H new ATOM 0 HD3 LYS A 6 -9.366 18.535 -2.293 1.00 11.13 H new ATOM 0 HE2 LYS A 6 -10.982 20.343 -1.857 1.00 4.35 H new ATOM 0 HE3 LYS A 6 -9.970 20.079 -0.450 1.00 4.35 H new ATOM 0 HZ1 LYS A 6 -10.279 22.434 -0.943 1.00 1.22 H new ATOM 0 HZ2 LYS A 6 -8.641 21.996 -1.050 1.00 1.22 H new ATOM 0 HZ3 LYS A 6 -9.551 22.232 -2.464 1.00 1.22 H new ATOM 96 N GLY A 7 -3.016 19.822 -2.063 1.00 11.15 N ATOM 97 CA GLY A 7 -2.066 20.903 -2.394 1.00 44.31 C ATOM 98 C GLY A 7 -1.383 20.688 -3.750 1.00 15.44 C ATOM 99 O GLY A 7 -0.159 20.532 -3.831 1.00 34.03 O ATOM 0 H GLY A 7 -2.603 19.056 -1.532 1.00 11.15 H new ATOM 0 HA2 GLY A 7 -2.594 21.856 -2.404 1.00 44.31 H new ATOM 0 HA3 GLY A 7 -1.307 20.967 -1.614 1.00 44.31 H new ATOM 103 N LYS A 8 -2.193 20.685 -4.827 1.00 72.21 N ATOM 104 CA LYS A 8 -1.721 20.393 -6.199 1.00 71.12 C ATOM 105 C LYS A 8 -1.166 21.668 -6.891 1.00 34.14 C ATOM 106 O LYS A 8 -1.932 22.519 -7.366 1.00 2.43 O ATOM 107 CB LYS A 8 -2.887 19.768 -7.032 1.00 2.25 C ATOM 108 CG LYS A 8 -2.489 19.172 -8.423 1.00 71.03 C ATOM 109 CD LYS A 8 -2.193 17.638 -8.404 1.00 64.33 C ATOM 110 CE LYS A 8 -0.993 17.238 -7.528 1.00 61.10 C ATOM 111 NZ LYS A 8 -0.730 15.779 -7.561 1.00 1.40 N ATOM 0 H LYS A 8 -3.192 20.884 -4.773 1.00 72.21 H new ATOM 0 HA LYS A 8 -0.902 19.677 -6.140 1.00 71.12 H new ATOM 0 HB2 LYS A 8 -3.349 18.979 -6.439 1.00 2.25 H new ATOM 0 HB3 LYS A 8 -3.646 20.534 -7.190 1.00 2.25 H new ATOM 0 HG2 LYS A 8 -3.294 19.366 -9.132 1.00 71.03 H new ATOM 0 HG3 LYS A 8 -1.607 19.696 -8.791 1.00 71.03 H new ATOM 0 HD2 LYS A 8 -3.079 17.113 -8.048 1.00 64.33 H new ATOM 0 HD3 LYS A 8 -2.011 17.302 -9.425 1.00 64.33 H new ATOM 0 HE2 LYS A 8 -0.105 17.772 -7.867 1.00 61.10 H new ATOM 0 HE3 LYS A 8 -1.178 17.548 -6.500 1.00 61.10 H new ATOM 0 HZ1 LYS A 8 0.210 15.586 -7.159 1.00 1.40 H new ATOM 0 HZ2 LYS A 8 -1.454 15.283 -7.002 1.00 1.40 H new ATOM 0 HZ3 LYS A 8 -0.761 15.443 -8.545 1.00 1.40 H new ATOM 125 N LYS A 9 0.179 21.802 -6.910 1.00 3.32 N ATOM 126 CA LYS A 9 0.878 22.921 -7.593 1.00 64.44 C ATOM 127 C LYS A 9 2.133 22.414 -8.366 1.00 63.54 C ATOM 128 O LYS A 9 3.160 22.081 -7.758 1.00 31.02 O ATOM 129 CB LYS A 9 1.250 24.043 -6.572 1.00 12.24 C ATOM 130 CG LYS A 9 1.936 23.557 -5.272 1.00 73.22 C ATOM 131 CD LYS A 9 2.396 24.723 -4.363 1.00 1.04 C ATOM 132 CE LYS A 9 2.991 24.236 -3.029 1.00 54.24 C ATOM 133 NZ LYS A 9 4.151 23.327 -3.215 1.00 12.55 N ATOM 0 H LYS A 9 0.811 21.143 -6.456 1.00 3.32 H new ATOM 0 HA LYS A 9 0.196 23.350 -8.328 1.00 64.44 H new ATOM 0 HB2 LYS A 9 1.910 24.756 -7.066 1.00 12.24 H new ATOM 0 HB3 LYS A 9 0.342 24.582 -6.304 1.00 12.24 H new ATOM 0 HG2 LYS A 9 1.245 22.922 -4.718 1.00 73.22 H new ATOM 0 HG3 LYS A 9 2.798 22.942 -5.530 1.00 73.22 H new ATOM 0 HD2 LYS A 9 3.140 25.319 -4.892 1.00 1.04 H new ATOM 0 HD3 LYS A 9 1.548 25.377 -4.161 1.00 1.04 H new ATOM 0 HE2 LYS A 9 3.301 25.098 -2.438 1.00 54.24 H new ATOM 0 HE3 LYS A 9 2.219 23.720 -2.458 1.00 54.24 H new ATOM 0 HZ1 LYS A 9 4.564 23.097 -2.289 1.00 12.55 H new ATOM 0 HZ2 LYS A 9 3.835 22.452 -3.680 1.00 12.55 H new ATOM 0 HZ3 LYS A 9 4.867 23.794 -3.807 1.00 12.55 H new ATOM 147 N ARG A 10 1.993 22.333 -9.716 1.00 15.33 N ATOM 148 CA ARG A 10 3.064 21.944 -10.678 1.00 24.03 C ATOM 149 C ARG A 10 3.586 20.487 -10.482 1.00 22.00 C ATOM 150 O ARG A 10 4.085 20.117 -9.414 1.00 21.52 O ATOM 151 CB ARG A 10 4.242 22.963 -10.657 1.00 20.31 C ATOM 152 CG ARG A 10 5.247 22.797 -11.826 1.00 3.05 C ATOM 153 CD ARG A 10 6.354 23.863 -11.829 1.00 24.41 C ATOM 154 NE ARG A 10 7.229 23.749 -13.013 1.00 62.21 N ATOM 155 CZ ARG A 10 8.307 24.464 -13.247 1.00 52.43 C ATOM 156 NH1 ARG A 10 8.721 25.349 -12.399 1.00 0.00 N ATOM 157 NH2 ARG A 10 8.965 24.276 -14.343 1.00 31.35 N ATOM 0 H ARG A 10 1.109 22.542 -10.180 1.00 15.33 H new ATOM 0 HA ARG A 10 2.596 21.968 -11.662 1.00 24.03 H new ATOM 0 HB2 ARG A 10 3.834 23.973 -10.684 1.00 20.31 H new ATOM 0 HB3 ARG A 10 4.779 22.861 -9.714 1.00 20.31 H new ATOM 0 HG2 ARG A 10 5.703 21.809 -11.767 1.00 3.05 H new ATOM 0 HG3 ARG A 10 4.706 22.842 -12.771 1.00 3.05 H new ATOM 0 HD2 ARG A 10 5.902 24.855 -11.806 1.00 24.41 H new ATOM 0 HD3 ARG A 10 6.954 23.765 -10.924 1.00 24.41 H new ATOM 0 HE ARG A 10 6.974 23.052 -13.713 1.00 62.21 H new ATOM 0 HH11 ARG A 10 8.209 25.502 -11.530 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.560 25.894 -12.599 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.646 23.579 -15.016 1.00 31.35 H new ATOM 0 HH22 ARG A 10 9.803 24.825 -14.535 1.00 31.35 H new ATOM 171 N ARG A 11 3.504 19.674 -11.551 1.00 31.32 N ATOM 172 CA ARG A 11 3.883 18.247 -11.517 1.00 54.11 C ATOM 173 C ARG A 11 5.414 18.044 -11.637 1.00 3.42 C ATOM 174 O ARG A 11 5.986 18.170 -12.723 1.00 51.45 O ATOM 175 CB ARG A 11 3.151 17.475 -12.650 1.00 30.14 C ATOM 176 CG ARG A 11 1.605 17.512 -12.572 1.00 60.20 C ATOM 177 CD ARG A 11 0.950 16.761 -13.748 1.00 71.31 C ATOM 178 NE ARG A 11 -0.523 16.805 -13.688 1.00 23.24 N ATOM 179 CZ ARG A 11 -1.335 16.574 -14.700 1.00 72.44 C ATOM 180 NH1 ARG A 11 -0.878 16.331 -15.895 1.00 5.20 N ATOM 181 NH2 ARG A 11 -2.610 16.615 -14.504 1.00 20.44 N ATOM 0 H ARG A 11 3.173 19.987 -12.464 1.00 31.32 H new ATOM 0 HA ARG A 11 3.578 17.852 -10.548 1.00 54.11 H new ATOM 0 HB2 ARG A 11 3.462 17.887 -13.610 1.00 30.14 H new ATOM 0 HB3 ARG A 11 3.476 16.435 -12.630 1.00 30.14 H new ATOM 0 HG2 ARG A 11 1.279 17.068 -11.631 1.00 60.20 H new ATOM 0 HG3 ARG A 11 1.267 18.548 -12.570 1.00 60.20 H new ATOM 0 HD2 ARG A 11 1.287 17.198 -14.688 1.00 71.31 H new ATOM 0 HD3 ARG A 11 1.281 15.722 -13.743 1.00 71.31 H new ATOM 0 HE ARG A 11 -0.948 17.033 -12.789 1.00 23.24 H new ATOM 0 HH11 ARG A 11 0.128 16.317 -16.063 1.00 5.20 H new ATOM 0 HH12 ARG A 11 -1.526 16.155 -16.663 1.00 5.20 H new ATOM 0 HH21 ARG A 11 -2.977 16.824 -13.575 1.00 20.44 H new ATOM 0 HH22 ARG A 11 -3.251 16.438 -15.278 1.00 20.44 H new ATOM 195 N ASN A 12 6.082 17.796 -10.494 1.00 35.01 N ATOM 196 CA ASN A 12 7.470 17.277 -10.467 1.00 31.44 C ATOM 197 C ASN A 12 7.416 15.763 -10.128 1.00 31.12 C ATOM 198 O ASN A 12 7.476 14.916 -11.025 1.00 61.41 O ATOM 199 CB ASN A 12 8.355 18.061 -9.446 1.00 54.20 C ATOM 200 CG ASN A 12 8.667 19.513 -9.834 1.00 42.54 C ATOM 201 OD1 ASN A 12 7.727 20.226 -10.431 1.00 54.34 O flip ATOM 202 ND2 ASN A 12 9.760 20.010 -9.565 1.00 23.53 N flip ATOM 0 H ASN A 12 5.682 17.947 -9.568 1.00 35.01 H new ATOM 0 HA ASN A 12 7.933 17.418 -11.444 1.00 31.44 H new ATOM 0 HB2 ASN A 12 7.853 18.060 -8.478 1.00 54.20 H new ATOM 0 HB3 ASN A 12 9.296 17.525 -9.318 1.00 54.20 H new ATOM 0 HD21 ASN A 12 10.476 19.448 -9.104 1.00 23.53 H new ATOM 0 HD22 ASN A 12 9.950 20.984 -9.803 1.00 23.53 H new ATOM 209 N ARG A 13 7.262 15.441 -8.822 1.00 14.20 N ATOM 210 CA ARG A 13 7.011 14.068 -8.317 1.00 10.10 C ATOM 211 C ARG A 13 5.897 14.117 -7.240 1.00 32.42 C ATOM 212 O ARG A 13 6.064 13.603 -6.132 1.00 23.23 O ATOM 213 CB ARG A 13 8.317 13.439 -7.729 1.00 25.11 C ATOM 214 CG ARG A 13 9.412 13.104 -8.764 1.00 73.02 C ATOM 215 CD ARG A 13 10.624 12.398 -8.127 1.00 35.23 C ATOM 216 NE ARG A 13 11.599 11.945 -9.140 1.00 12.13 N ATOM 217 CZ ARG A 13 11.950 10.695 -9.360 1.00 72.32 C ATOM 218 NH1 ARG A 13 11.430 9.716 -8.681 1.00 31.20 N ATOM 219 NH2 ARG A 13 12.810 10.431 -10.277 1.00 72.41 N ATOM 0 H ARG A 13 7.309 16.137 -8.078 1.00 14.20 H new ATOM 0 HA ARG A 13 6.687 13.439 -9.146 1.00 10.10 H new ATOM 0 HB2 ARG A 13 8.733 14.128 -6.994 1.00 25.11 H new ATOM 0 HB3 ARG A 13 8.053 12.526 -7.196 1.00 25.11 H new ATOM 0 HG2 ARG A 13 8.991 12.467 -9.542 1.00 73.02 H new ATOM 0 HG3 ARG A 13 9.743 14.022 -9.249 1.00 73.02 H new ATOM 0 HD2 ARG A 13 11.115 13.078 -7.431 1.00 35.23 H new ATOM 0 HD3 ARG A 13 10.280 11.542 -7.547 1.00 35.23 H new ATOM 0 HE ARG A 13 12.038 12.661 -9.718 1.00 12.13 H new ATOM 0 HH11 ARG A 13 10.734 9.908 -7.960 1.00 31.20 H new ATOM 0 HH12 ARG A 13 11.717 8.756 -8.869 1.00 31.20 H new ATOM 0 HH21 ARG A 13 13.216 11.187 -10.829 1.00 72.41 H new ATOM 0 HH22 ARG A 13 13.087 9.465 -10.454 1.00 72.41 H new ATOM 233 N THR A 14 4.765 14.760 -7.572 1.00 43.52 N ATOM 234 CA THR A 14 3.626 14.938 -6.636 1.00 73.22 C ATOM 235 C THR A 14 2.585 13.798 -6.808 1.00 10.21 C ATOM 236 O THR A 14 1.561 13.943 -7.490 1.00 22.44 O ATOM 237 CB THR A 14 2.984 16.372 -6.771 1.00 62.22 C ATOM 238 OG1 THR A 14 1.788 16.478 -5.970 1.00 22.25 O ATOM 239 CG2 THR A 14 2.672 16.762 -8.232 1.00 61.40 C ATOM 0 H THR A 14 4.607 15.172 -8.492 1.00 43.52 H new ATOM 0 HA THR A 14 4.008 14.870 -5.618 1.00 73.22 H new ATOM 0 HB THR A 14 3.733 17.073 -6.404 1.00 62.22 H new ATOM 0 HG1 THR A 14 1.407 17.376 -6.068 1.00 22.25 H new ATOM 0 HG21 THR A 14 2.232 17.759 -8.256 1.00 61.40 H new ATOM 0 HG22 THR A 14 3.593 16.757 -8.815 1.00 61.40 H new ATOM 0 HG23 THR A 14 1.970 16.045 -8.658 1.00 61.40 H new ATOM 247 N THR A 15 2.899 12.632 -6.204 1.00 53.31 N ATOM 248 CA THR A 15 2.054 11.412 -6.257 1.00 33.03 C ATOM 249 C THR A 15 1.546 11.016 -4.846 1.00 14.51 C ATOM 250 O THR A 15 0.333 10.978 -4.603 1.00 51.04 O ATOM 251 CB THR A 15 2.835 10.205 -6.900 1.00 72.41 C ATOM 252 OG1 THR A 15 4.040 9.935 -6.152 1.00 11.30 O ATOM 253 CG2 THR A 15 3.201 10.473 -8.378 1.00 23.22 C ATOM 0 H THR A 15 3.753 12.506 -5.660 1.00 53.31 H new ATOM 0 HA THR A 15 1.193 11.646 -6.884 1.00 33.03 H new ATOM 0 HB THR A 15 2.173 9.339 -6.866 1.00 72.41 H new ATOM 0 HG1 THR A 15 3.890 9.174 -5.553 1.00 11.30 H new ATOM 0 HG21 THR A 15 3.738 9.615 -8.781 1.00 23.22 H new ATOM 0 HG22 THR A 15 2.290 10.635 -8.955 1.00 23.22 H new ATOM 0 HG23 THR A 15 3.833 11.359 -8.442 1.00 23.22 H new ATOM 261 N PHE A 16 2.483 10.728 -3.918 1.00 24.11 N ATOM 262 CA PHE A 16 2.159 10.283 -2.533 1.00 60.52 C ATOM 263 C PHE A 16 2.794 11.223 -1.468 1.00 44.10 C ATOM 264 O PHE A 16 4.000 11.495 -1.519 1.00 13.54 O ATOM 265 CB PHE A 16 2.656 8.831 -2.295 1.00 33.44 C ATOM 266 CG PHE A 16 2.175 7.806 -3.321 1.00 4.40 C ATOM 267 CD1 PHE A 16 0.865 7.329 -3.297 1.00 53.15 C ATOM 268 CD2 PHE A 16 3.032 7.313 -4.308 1.00 23.41 C ATOM 269 CE1 PHE A 16 0.432 6.398 -4.223 1.00 75.43 C ATOM 270 CE2 PHE A 16 2.596 6.384 -5.235 1.00 63.55 C ATOM 271 CZ PHE A 16 1.295 5.926 -5.191 1.00 72.10 C ATOM 0 H PHE A 16 3.484 10.795 -4.100 1.00 24.11 H new ATOM 0 HA PHE A 16 1.075 10.320 -2.428 1.00 60.52 H new ATOM 0 HB2 PHE A 16 3.746 8.833 -2.289 1.00 33.44 H new ATOM 0 HB3 PHE A 16 2.333 8.510 -1.305 1.00 33.44 H new ATOM 0 HD1 PHE A 16 0.180 7.692 -2.545 1.00 53.15 H new ATOM 0 HD2 PHE A 16 4.053 7.663 -4.348 1.00 23.41 H new ATOM 0 HE1 PHE A 16 -0.586 6.039 -4.189 1.00 75.43 H new ATOM 0 HE2 PHE A 16 3.273 6.017 -5.992 1.00 63.55 H new ATOM 0 HZ PHE A 16 0.953 5.199 -5.913 1.00 72.10 H new ATOM 281 N THR A 17 1.988 11.693 -0.489 1.00 53.41 N ATOM 282 CA THR A 17 2.476 12.573 0.613 1.00 22.53 C ATOM 283 C THR A 17 3.315 11.770 1.648 1.00 24.10 C ATOM 284 O THR A 17 3.392 10.537 1.575 1.00 31.43 O ATOM 285 CB THR A 17 1.294 13.303 1.358 1.00 33.22 C ATOM 286 OG1 THR A 17 0.514 12.359 2.122 1.00 25.44 O ATOM 287 CG2 THR A 17 0.370 14.056 0.376 1.00 62.14 C ATOM 0 H THR A 17 0.992 11.480 -0.434 1.00 53.41 H new ATOM 0 HA THR A 17 3.107 13.328 0.144 1.00 22.53 H new ATOM 0 HB THR A 17 1.745 14.033 2.030 1.00 33.22 H new ATOM 0 HG1 THR A 17 -0.214 12.830 2.579 1.00 25.44 H new ATOM 0 HG21 THR A 17 -0.431 14.544 0.932 1.00 62.14 H new ATOM 0 HG22 THR A 17 0.947 14.807 -0.164 1.00 62.14 H new ATOM 0 HG23 THR A 17 -0.060 13.349 -0.334 1.00 62.14 H new ATOM 295 N SER A 18 3.929 12.480 2.616 1.00 35.33 N ATOM 296 CA SER A 18 4.777 11.859 3.673 1.00 53.02 C ATOM 297 C SER A 18 3.967 10.865 4.550 1.00 41.01 C ATOM 298 O SER A 18 4.368 9.709 4.711 1.00 53.53 O ATOM 299 CB SER A 18 5.422 12.952 4.557 1.00 50.12 C ATOM 300 OG SER A 18 6.313 13.773 3.812 1.00 15.44 O ATOM 0 H SER A 18 3.857 13.494 2.694 1.00 35.33 H new ATOM 0 HA SER A 18 5.564 11.294 3.174 1.00 53.02 H new ATOM 0 HB2 SER A 18 4.641 13.570 4.999 1.00 50.12 H new ATOM 0 HB3 SER A 18 5.961 12.483 5.380 1.00 50.12 H new ATOM 0 HG SER A 18 6.701 14.453 4.401 1.00 15.44 H new ATOM 306 N TYR A 19 2.819 11.332 5.088 1.00 4.30 N ATOM 307 CA TYR A 19 1.858 10.487 5.853 1.00 44.35 C ATOM 308 C TYR A 19 1.398 9.260 5.027 1.00 50.40 C ATOM 309 O TYR A 19 1.353 8.127 5.531 1.00 64.25 O ATOM 310 CB TYR A 19 0.619 11.344 6.279 1.00 42.00 C ATOM 311 CG TYR A 19 -0.603 10.526 6.750 1.00 71.30 C ATOM 312 CD1 TYR A 19 -0.668 9.988 8.040 1.00 35.14 C ATOM 313 CD2 TYR A 19 -1.670 10.253 5.882 1.00 43.42 C ATOM 314 CE1 TYR A 19 -1.750 9.224 8.446 1.00 63.01 C ATOM 315 CE2 TYR A 19 -2.743 9.484 6.280 1.00 3.55 C ATOM 316 CZ TYR A 19 -2.783 8.971 7.560 1.00 41.52 C ATOM 317 OH TYR A 19 -3.856 8.190 7.951 1.00 54.01 O ATOM 0 H TYR A 19 2.527 12.306 5.007 1.00 4.30 H new ATOM 0 HA TYR A 19 2.368 10.117 6.743 1.00 44.35 H new ATOM 0 HB2 TYR A 19 0.919 12.017 7.082 1.00 42.00 H new ATOM 0 HB3 TYR A 19 0.319 11.967 5.436 1.00 42.00 H new ATOM 0 HD1 TYR A 19 0.140 10.172 8.732 1.00 35.14 H new ATOM 0 HD2 TYR A 19 -1.651 10.654 4.879 1.00 43.42 H new ATOM 0 HE1 TYR A 19 -1.787 8.827 9.450 1.00 63.01 H new ATOM 0 HE2 TYR A 19 -3.550 9.284 5.591 1.00 3.55 H new ATOM 0 HH TYR A 19 -4.338 7.875 7.158 1.00 54.01 H new ATOM 327 N GLN A 20 1.046 9.530 3.764 1.00 30.23 N ATOM 328 CA GLN A 20 0.522 8.532 2.819 1.00 13.11 C ATOM 329 C GLN A 20 1.522 7.365 2.623 1.00 44.42 C ATOM 330 O GLN A 20 1.142 6.197 2.704 1.00 70.04 O ATOM 331 CB GLN A 20 0.208 9.263 1.488 1.00 32.02 C ATOM 332 CG GLN A 20 -0.470 8.432 0.391 1.00 1.53 C ATOM 333 CD GLN A 20 -1.091 9.288 -0.721 1.00 2.30 C ATOM 334 OE1 GLN A 20 -0.637 10.381 -1.022 1.00 42.15 O ATOM 335 NE2 GLN A 20 -2.157 8.815 -1.310 1.00 41.14 N ATOM 0 H GLN A 20 1.118 10.464 3.361 1.00 30.23 H new ATOM 0 HA GLN A 20 -0.390 8.080 3.210 1.00 13.11 H new ATOM 0 HB2 GLN A 20 -0.430 10.118 1.711 1.00 32.02 H new ATOM 0 HB3 GLN A 20 1.142 9.658 1.088 1.00 32.02 H new ATOM 0 HG2 GLN A 20 0.263 7.755 -0.048 1.00 1.53 H new ATOM 0 HG3 GLN A 20 -1.247 7.813 0.841 1.00 1.53 H new ATOM 0 HE21 GLN A 20 -2.522 7.900 -1.046 1.00 41.14 H new ATOM 0 HE22 GLN A 20 -2.624 9.361 -2.034 1.00 41.14 H new ATOM 344 N LEU A 21 2.814 7.708 2.441 1.00 45.35 N ATOM 345 CA LEU A 21 3.912 6.719 2.311 1.00 22.20 C ATOM 346 C LEU A 21 4.136 5.897 3.605 1.00 45.21 C ATOM 347 O LEU A 21 4.519 4.733 3.524 1.00 53.13 O ATOM 348 CB LEU A 21 5.227 7.432 1.898 1.00 63.31 C ATOM 349 CG LEU A 21 5.274 7.966 0.433 1.00 24.51 C ATOM 350 CD1 LEU A 21 6.551 8.795 0.176 1.00 72.33 C ATOM 351 CD2 LEU A 21 5.148 6.799 -0.577 1.00 62.40 C ATOM 0 H LEU A 21 3.129 8.676 2.380 1.00 45.35 H new ATOM 0 HA LEU A 21 3.614 6.015 1.534 1.00 22.20 H new ATOM 0 HB2 LEU A 21 5.394 8.269 2.576 1.00 63.31 H new ATOM 0 HB3 LEU A 21 6.055 6.738 2.039 1.00 63.31 H new ATOM 0 HG LEU A 21 4.423 8.631 0.290 1.00 24.51 H new ATOM 0 HD11 LEU A 21 6.552 9.152 -0.854 1.00 72.33 H new ATOM 0 HD12 LEU A 21 6.574 9.647 0.855 1.00 72.33 H new ATOM 0 HD13 LEU A 21 7.429 8.172 0.345 1.00 72.33 H new ATOM 0 HD21 LEU A 21 5.183 7.192 -1.593 1.00 62.40 H new ATOM 0 HD22 LEU A 21 5.971 6.100 -0.430 1.00 62.40 H new ATOM 0 HD23 LEU A 21 4.201 6.283 -0.420 1.00 62.40 H new ATOM 363 N GLU A 22 3.904 6.507 4.791 1.00 2.33 N ATOM 364 CA GLU A 22 4.057 5.804 6.097 1.00 52.44 C ATOM 365 C GLU A 22 3.014 4.676 6.272 1.00 71.34 C ATOM 366 O GLU A 22 3.334 3.604 6.791 1.00 61.12 O ATOM 367 CB GLU A 22 3.942 6.797 7.283 1.00 64.11 C ATOM 368 CG GLU A 22 5.040 7.869 7.343 1.00 4.21 C ATOM 369 CD GLU A 22 4.903 8.788 8.568 1.00 72.14 C ATOM 370 OE1 GLU A 22 4.077 9.727 8.534 1.00 12.22 O ATOM 371 OE2 GLU A 22 5.615 8.571 9.576 1.00 15.42 O ATOM 0 H GLU A 22 3.611 7.480 4.876 1.00 2.33 H new ATOM 0 HA GLU A 22 5.051 5.358 6.095 1.00 52.44 H new ATOM 0 HB2 GLU A 22 2.973 7.294 7.228 1.00 64.11 H new ATOM 0 HB3 GLU A 22 3.958 6.230 8.214 1.00 64.11 H new ATOM 0 HG2 GLU A 22 6.016 7.384 7.365 1.00 4.21 H new ATOM 0 HG3 GLU A 22 5.004 8.472 6.435 1.00 4.21 H new ATOM 378 N GLU A 23 1.768 4.941 5.844 1.00 63.12 N ATOM 379 CA GLU A 23 0.665 3.954 5.917 1.00 42.44 C ATOM 380 C GLU A 23 0.873 2.804 4.907 1.00 22.10 C ATOM 381 O GLU A 23 0.659 1.630 5.233 1.00 33.34 O ATOM 382 CB GLU A 23 -0.698 4.647 5.673 1.00 55.32 C ATOM 383 CG GLU A 23 -1.033 5.791 6.651 1.00 34.33 C ATOM 384 CD GLU A 23 -1.017 5.352 8.128 1.00 52.42 C ATOM 385 OE1 GLU A 23 -1.971 4.672 8.571 1.00 10.35 O ATOM 386 OE2 GLU A 23 -0.046 5.668 8.849 1.00 23.12 O ATOM 0 H GLU A 23 1.493 5.836 5.440 1.00 63.12 H new ATOM 0 HA GLU A 23 0.667 3.524 6.919 1.00 42.44 H new ATOM 0 HB2 GLU A 23 -0.711 5.042 4.657 1.00 55.32 H new ATOM 0 HB3 GLU A 23 -1.486 3.896 5.733 1.00 55.32 H new ATOM 0 HG2 GLU A 23 -0.317 6.601 6.512 1.00 34.33 H new ATOM 0 HG3 GLU A 23 -2.017 6.191 6.408 1.00 34.33 H new ATOM 393 N LEU A 24 1.280 3.165 3.676 1.00 53.54 N ATOM 394 CA LEU A 24 1.604 2.194 2.601 1.00 63.42 C ATOM 395 C LEU A 24 2.754 1.236 3.037 1.00 11.23 C ATOM 396 O LEU A 24 2.654 0.011 2.894 1.00 5.24 O ATOM 397 CB LEU A 24 1.974 2.975 1.309 1.00 13.24 C ATOM 398 CG LEU A 24 0.816 3.790 0.635 1.00 15.12 C ATOM 399 CD1 LEU A 24 1.352 4.796 -0.409 1.00 23.01 C ATOM 400 CD2 LEU A 24 -0.240 2.853 0.011 1.00 4.44 C ATOM 0 H LEU A 24 1.395 4.138 3.393 1.00 53.54 H new ATOM 0 HA LEU A 24 0.732 1.570 2.402 1.00 63.42 H new ATOM 0 HB2 LEU A 24 2.785 3.664 1.546 1.00 13.24 H new ATOM 0 HB3 LEU A 24 2.362 2.265 0.579 1.00 13.24 H new ATOM 0 HG LEU A 24 0.330 4.366 1.422 1.00 15.12 H new ATOM 0 HD11 LEU A 24 0.518 5.340 -0.852 1.00 23.01 H new ATOM 0 HD12 LEU A 24 2.027 5.500 0.077 1.00 23.01 H new ATOM 0 HD13 LEU A 24 1.890 4.258 -1.190 1.00 23.01 H new ATOM 0 HD21 LEU A 24 -1.029 3.449 -0.448 1.00 4.44 H new ATOM 0 HD22 LEU A 24 0.231 2.228 -0.748 1.00 4.44 H new ATOM 0 HD23 LEU A 24 -0.669 2.220 0.788 1.00 4.44 H new ATOM 412 N GLU A 25 3.827 1.832 3.596 1.00 60.10 N ATOM 413 CA GLU A 25 4.983 1.100 4.184 1.00 44.44 C ATOM 414 C GLU A 25 4.576 0.227 5.396 1.00 44.40 C ATOM 415 O GLU A 25 5.100 -0.866 5.564 1.00 72.12 O ATOM 416 CB GLU A 25 6.110 2.113 4.587 1.00 20.03 C ATOM 417 CG GLU A 25 7.141 2.429 3.479 1.00 2.24 C ATOM 418 CD GLU A 25 8.131 1.271 3.248 1.00 22.25 C ATOM 419 OE1 GLU A 25 7.781 0.288 2.569 1.00 33.45 O ATOM 420 OE2 GLU A 25 9.270 1.327 3.759 1.00 71.32 O ATOM 0 H GLU A 25 3.923 2.846 3.656 1.00 60.10 H new ATOM 0 HA GLU A 25 5.362 0.421 3.420 1.00 44.44 H new ATOM 0 HB2 GLU A 25 5.642 3.046 4.902 1.00 20.03 H new ATOM 0 HB3 GLU A 25 6.641 1.715 5.452 1.00 20.03 H new ATOM 0 HG2 GLU A 25 6.615 2.645 2.549 1.00 2.24 H new ATOM 0 HG3 GLU A 25 7.695 3.328 3.748 1.00 2.24 H new ATOM 427 N LYS A 26 3.632 0.723 6.219 1.00 31.51 N ATOM 428 CA LYS A 26 3.111 0.005 7.416 1.00 60.44 C ATOM 429 C LYS A 26 2.587 -1.414 7.056 1.00 54.40 C ATOM 430 O LYS A 26 2.872 -2.399 7.753 1.00 51.02 O ATOM 431 CB LYS A 26 1.990 0.862 8.057 1.00 20.13 C ATOM 432 CG LYS A 26 1.285 0.245 9.281 1.00 15.12 C ATOM 433 CD LYS A 26 0.158 1.151 9.862 1.00 21.03 C ATOM 434 CE LYS A 26 0.664 2.378 10.662 1.00 63.11 C ATOM 435 NZ LYS A 26 1.369 3.387 9.828 1.00 63.34 N ATOM 0 H LYS A 26 3.202 1.637 6.078 1.00 31.51 H new ATOM 0 HA LYS A 26 3.925 -0.135 8.128 1.00 60.44 H new ATOM 0 HB2 LYS A 26 2.417 1.820 8.353 1.00 20.13 H new ATOM 0 HB3 LYS A 26 1.238 1.069 7.296 1.00 20.13 H new ATOM 0 HG2 LYS A 26 0.859 -0.718 9.000 1.00 15.12 H new ATOM 0 HG3 LYS A 26 2.024 0.052 10.059 1.00 15.12 H new ATOM 0 HD2 LYS A 26 -0.467 1.502 9.041 1.00 21.03 H new ATOM 0 HD3 LYS A 26 -0.477 0.548 10.511 1.00 21.03 H new ATOM 0 HE2 LYS A 26 -0.184 2.855 11.154 1.00 63.11 H new ATOM 0 HE3 LYS A 26 1.337 2.035 11.448 1.00 63.11 H new ATOM 0 HZ1 LYS A 26 1.035 4.339 10.079 1.00 63.34 H new ATOM 0 HZ2 LYS A 26 2.393 3.324 9.998 1.00 63.34 H new ATOM 0 HZ3 LYS A 26 1.173 3.205 8.823 1.00 63.34 H new ATOM 449 N VAL A 27 1.843 -1.494 5.944 1.00 25.41 N ATOM 450 CA VAL A 27 1.293 -2.762 5.422 1.00 61.34 C ATOM 451 C VAL A 27 2.384 -3.586 4.675 1.00 23.24 C ATOM 452 O VAL A 27 2.374 -4.818 4.734 1.00 5.54 O ATOM 453 CB VAL A 27 0.050 -2.477 4.498 1.00 71.33 C ATOM 454 CG1 VAL A 27 -0.570 -3.784 3.927 1.00 43.42 C ATOM 455 CG2 VAL A 27 -1.017 -1.643 5.264 1.00 63.23 C ATOM 0 H VAL A 27 1.603 -0.681 5.377 1.00 25.41 H new ATOM 0 HA VAL A 27 0.958 -3.366 6.265 1.00 61.34 H new ATOM 0 HB VAL A 27 0.403 -1.896 3.646 1.00 71.33 H new ATOM 0 HG11 VAL A 27 -1.424 -3.536 3.296 1.00 43.42 H new ATOM 0 HG12 VAL A 27 0.177 -4.313 3.335 1.00 43.42 H new ATOM 0 HG13 VAL A 27 -0.898 -4.420 4.749 1.00 43.42 H new ATOM 0 HG21 VAL A 27 -1.869 -1.455 4.611 1.00 63.23 H new ATOM 0 HG22 VAL A 27 -1.348 -2.196 6.143 1.00 63.23 H new ATOM 0 HG23 VAL A 27 -0.582 -0.693 5.575 1.00 63.23 H new ATOM 465 N PHE A 28 3.347 -2.891 4.016 1.00 63.41 N ATOM 466 CA PHE A 28 4.476 -3.540 3.279 1.00 11.13 C ATOM 467 C PHE A 28 5.438 -4.293 4.235 1.00 4.24 C ATOM 468 O PHE A 28 5.947 -5.372 3.900 1.00 73.11 O ATOM 469 CB PHE A 28 5.261 -2.482 2.450 1.00 73.55 C ATOM 470 CG PHE A 28 6.359 -3.054 1.537 1.00 54.24 C ATOM 471 CD1 PHE A 28 6.031 -3.736 0.362 1.00 11.43 C ATOM 472 CD2 PHE A 28 7.718 -2.910 1.845 1.00 72.33 C ATOM 473 CE1 PHE A 28 7.013 -4.249 -0.469 1.00 51.01 C ATOM 474 CE2 PHE A 28 8.700 -3.423 1.013 1.00 53.54 C ATOM 475 CZ PHE A 28 8.348 -4.092 -0.142 1.00 11.15 C ATOM 0 H PHE A 28 3.368 -1.872 3.977 1.00 63.41 H new ATOM 0 HA PHE A 28 4.042 -4.277 2.603 1.00 11.13 H new ATOM 0 HB2 PHE A 28 4.553 -1.925 1.836 1.00 73.55 H new ATOM 0 HB3 PHE A 28 5.716 -1.769 3.137 1.00 73.55 H new ATOM 0 HD1 PHE A 28 4.992 -3.865 0.097 1.00 11.43 H new ATOM 0 HD2 PHE A 28 8.005 -2.390 2.747 1.00 72.33 H new ATOM 0 HE1 PHE A 28 6.736 -4.772 -1.373 1.00 51.01 H new ATOM 0 HE2 PHE A 28 9.742 -3.299 1.268 1.00 53.54 H new ATOM 0 HZ PHE A 28 9.114 -4.492 -0.790 1.00 11.15 H new ATOM 485 N GLN A 29 5.672 -3.713 5.425 1.00 51.13 N ATOM 486 CA GLN A 29 6.603 -4.273 6.435 1.00 71.35 C ATOM 487 C GLN A 29 5.969 -5.448 7.224 1.00 61.12 C ATOM 488 O GLN A 29 6.678 -6.202 7.903 1.00 32.41 O ATOM 489 CB GLN A 29 7.087 -3.141 7.383 1.00 62.32 C ATOM 490 CG GLN A 29 7.808 -1.975 6.658 1.00 42.30 C ATOM 491 CD GLN A 29 9.055 -2.394 5.866 1.00 42.33 C ATOM 492 OE1 GLN A 29 9.771 -3.319 6.250 1.00 4.01 O ATOM 493 NE2 GLN A 29 9.323 -1.732 4.748 1.00 12.42 N ATOM 0 H GLN A 29 5.225 -2.845 5.719 1.00 51.13 H new ATOM 0 HA GLN A 29 7.466 -4.688 5.914 1.00 71.35 H new ATOM 0 HB2 GLN A 29 6.229 -2.743 7.924 1.00 62.32 H new ATOM 0 HB3 GLN A 29 7.762 -3.567 8.125 1.00 62.32 H new ATOM 0 HG2 GLN A 29 7.104 -1.496 5.977 1.00 42.30 H new ATOM 0 HG3 GLN A 29 8.096 -1.227 7.397 1.00 42.30 H new ATOM 0 HE21 GLN A 29 8.716 -0.969 4.449 1.00 12.42 H new ATOM 0 HE22 GLN A 29 10.136 -1.986 4.187 1.00 12.42 H new ATOM 502 N LYS A 30 4.632 -5.589 7.132 1.00 21.04 N ATOM 503 CA LYS A 30 3.904 -6.791 7.603 1.00 31.31 C ATOM 504 C LYS A 30 3.890 -7.879 6.499 1.00 71.13 C ATOM 505 O LYS A 30 4.206 -9.050 6.753 1.00 5.25 O ATOM 506 CB LYS A 30 2.454 -6.417 8.021 1.00 72.02 C ATOM 507 CG LYS A 30 2.355 -5.683 9.377 1.00 35.43 C ATOM 508 CD LYS A 30 0.904 -5.273 9.740 1.00 60.31 C ATOM 509 CE LYS A 30 0.774 -4.810 11.205 1.00 41.15 C ATOM 510 NZ LYS A 30 1.707 -3.698 11.537 1.00 24.34 N ATOM 0 H LYS A 30 4.024 -4.875 6.730 1.00 21.04 H new ATOM 0 HA LYS A 30 4.420 -7.192 8.475 1.00 31.31 H new ATOM 0 HB2 LYS A 30 2.016 -5.787 7.247 1.00 72.02 H new ATOM 0 HB3 LYS A 30 1.855 -7.327 8.068 1.00 72.02 H new ATOM 0 HG2 LYS A 30 2.752 -6.327 10.162 1.00 35.43 H new ATOM 0 HG3 LYS A 30 2.982 -4.792 9.348 1.00 35.43 H new ATOM 0 HD2 LYS A 30 0.580 -4.470 9.078 1.00 60.31 H new ATOM 0 HD3 LYS A 30 0.237 -6.118 9.568 1.00 60.31 H new ATOM 0 HE2 LYS A 30 -0.251 -4.488 11.391 1.00 41.15 H new ATOM 0 HE3 LYS A 30 0.969 -5.653 11.868 1.00 41.15 H new ATOM 0 HZ1 LYS A 30 1.533 -3.378 12.511 1.00 24.34 H new ATOM 0 HZ2 LYS A 30 2.688 -4.031 11.452 1.00 24.34 H new ATOM 0 HZ3 LYS A 30 1.552 -2.907 10.880 1.00 24.34 H new ATOM 524 N THR A 31 3.528 -7.465 5.269 1.00 72.03 N ATOM 525 CA THR A 31 3.450 -8.356 4.091 1.00 3.11 C ATOM 526 C THR A 31 3.728 -7.575 2.786 1.00 63.34 C ATOM 527 O THR A 31 3.189 -6.488 2.556 1.00 23.34 O ATOM 528 CB THR A 31 2.064 -9.089 3.986 1.00 63.23 C ATOM 529 OG1 THR A 31 2.037 -9.931 2.814 1.00 31.22 O ATOM 530 CG2 THR A 31 0.865 -8.114 3.952 1.00 44.02 C ATOM 0 H THR A 31 3.280 -6.498 5.062 1.00 72.03 H new ATOM 0 HA THR A 31 4.220 -9.116 4.227 1.00 3.11 H new ATOM 0 HB THR A 31 1.961 -9.693 4.888 1.00 63.23 H new ATOM 0 HG1 THR A 31 1.278 -9.679 2.248 1.00 31.22 H new ATOM 0 HG21 THR A 31 -0.063 -8.681 3.879 1.00 44.02 H new ATOM 0 HG22 THR A 31 0.855 -7.518 4.864 1.00 44.02 H new ATOM 0 HG23 THR A 31 0.956 -7.455 3.089 1.00 44.02 H new ATOM 538 N HIS A 32 4.596 -8.144 1.940 1.00 31.23 N ATOM 539 CA HIS A 32 4.951 -7.566 0.623 1.00 12.50 C ATOM 540 C HIS A 32 3.828 -7.811 -0.416 1.00 13.32 C ATOM 541 O HIS A 32 3.819 -7.215 -1.498 1.00 15.44 O ATOM 542 CB HIS A 32 6.300 -8.166 0.149 1.00 21.35 C ATOM 543 CG HIS A 32 7.380 -8.096 1.207 1.00 31.53 C ATOM 544 ND1 HIS A 32 7.996 -9.210 1.731 1.00 4.45 N ATOM 545 CD2 HIS A 32 7.916 -7.039 1.869 1.00 44.53 C ATOM 546 CE1 HIS A 32 8.847 -8.851 2.664 1.00 20.35 C ATOM 547 NE2 HIS A 32 8.823 -7.543 2.768 1.00 62.50 N ATOM 0 H HIS A 32 5.077 -9.020 2.143 1.00 31.23 H new ATOM 0 HA HIS A 32 5.060 -6.486 0.724 1.00 12.50 H new ATOM 0 HB2 HIS A 32 6.148 -9.206 -0.139 1.00 21.35 H new ATOM 0 HB3 HIS A 32 6.636 -7.634 -0.741 1.00 21.35 H new ATOM 0 HD2 HIS A 32 7.674 -5.997 1.717 1.00 44.53 H new ATOM 0 HE1 HIS A 32 9.463 -9.519 3.247 1.00 20.35 H new ATOM 0 HE2 HIS A 32 9.387 -6.990 3.413 1.00 62.50 H new ATOM 556 N TYR A 33 2.886 -8.706 -0.047 1.00 13.44 N ATOM 557 CA TYR A 33 1.706 -9.062 -0.854 1.00 22.54 C ATOM 558 C TYR A 33 0.414 -8.773 -0.040 1.00 33.13 C ATOM 559 O TYR A 33 -0.033 -9.632 0.736 1.00 52.01 O ATOM 560 CB TYR A 33 1.784 -10.559 -1.262 1.00 32.31 C ATOM 561 CG TYR A 33 3.062 -10.913 -2.038 1.00 60.43 C ATOM 562 CD1 TYR A 33 3.143 -10.720 -3.420 1.00 22.31 C ATOM 563 CD2 TYR A 33 4.202 -11.403 -1.383 1.00 31.03 C ATOM 564 CE1 TYR A 33 4.298 -11.009 -4.115 1.00 24.32 C ATOM 565 CE2 TYR A 33 5.363 -11.683 -2.077 1.00 43.42 C ATOM 566 CZ TYR A 33 5.405 -11.488 -3.444 1.00 72.51 C ATOM 567 OH TYR A 33 6.565 -11.750 -4.143 1.00 3.34 O ATOM 0 H TYR A 33 2.929 -9.210 0.839 1.00 13.44 H new ATOM 0 HA TYR A 33 1.684 -8.460 -1.762 1.00 22.54 H new ATOM 0 HB2 TYR A 33 1.730 -11.176 -0.365 1.00 32.31 H new ATOM 0 HB3 TYR A 33 0.916 -10.807 -1.873 1.00 32.31 H new ATOM 0 HD1 TYR A 33 2.285 -10.338 -3.953 1.00 22.31 H new ATOM 0 HD2 TYR A 33 4.171 -11.564 -0.316 1.00 31.03 H new ATOM 0 HE1 TYR A 33 4.337 -10.861 -5.184 1.00 24.32 H new ATOM 0 HE2 TYR A 33 6.233 -12.052 -1.554 1.00 43.42 H new ATOM 0 HH TYR A 33 7.251 -12.080 -3.526 1.00 3.34 H new ATOM 577 N PRO A 34 -0.192 -7.547 -0.174 1.00 30.34 N ATOM 578 CA PRO A 34 -1.387 -7.153 0.621 1.00 63.04 C ATOM 579 C PRO A 34 -2.667 -7.936 0.218 1.00 72.13 C ATOM 580 O PRO A 34 -2.933 -8.144 -0.975 1.00 33.45 O ATOM 581 CB PRO A 34 -1.528 -5.638 0.310 1.00 4.20 C ATOM 582 CG PRO A 34 -0.934 -5.487 -1.060 1.00 61.40 C ATOM 583 CD PRO A 34 0.229 -6.461 -1.101 1.00 52.42 C ATOM 0 HA PRO A 34 -1.268 -7.374 1.682 1.00 63.04 H new ATOM 0 HB2 PRO A 34 -2.571 -5.323 0.329 1.00 4.20 H new ATOM 0 HB3 PRO A 34 -0.998 -5.030 1.043 1.00 4.20 H new ATOM 0 HG2 PRO A 34 -1.667 -5.716 -1.834 1.00 61.40 H new ATOM 0 HG3 PRO A 34 -0.597 -4.465 -1.232 1.00 61.40 H new ATOM 0 HD2 PRO A 34 0.401 -6.838 -2.109 1.00 52.42 H new ATOM 0 HD3 PRO A 34 1.157 -5.992 -0.774 1.00 52.42 H new ATOM 591 N ASP A 35 -3.445 -8.358 1.230 1.00 72.52 N ATOM 592 CA ASP A 35 -4.764 -9.012 1.048 1.00 2.44 C ATOM 593 C ASP A 35 -5.782 -8.033 0.399 1.00 43.01 C ATOM 594 O ASP A 35 -5.596 -6.818 0.487 1.00 10.31 O ATOM 595 CB ASP A 35 -5.290 -9.465 2.429 1.00 44.34 C ATOM 596 CG ASP A 35 -4.292 -10.349 3.198 1.00 24.02 C ATOM 597 OD1 ASP A 35 -3.358 -9.800 3.827 1.00 10.10 O ATOM 598 OD2 ASP A 35 -4.420 -11.591 3.159 1.00 43.22 O ATOM 0 H ASP A 35 -3.178 -8.256 2.209 1.00 72.52 H new ATOM 0 HA ASP A 35 -4.647 -9.871 0.387 1.00 2.44 H new ATOM 0 HB2 ASP A 35 -5.523 -8.585 3.028 1.00 44.34 H new ATOM 0 HB3 ASP A 35 -6.222 -10.014 2.293 1.00 44.34 H new ATOM 603 N VAL A 36 -6.864 -8.557 -0.220 1.00 42.43 N ATOM 604 CA VAL A 36 -7.891 -7.702 -0.885 1.00 21.11 C ATOM 605 C VAL A 36 -8.532 -6.704 0.116 1.00 62.50 C ATOM 606 O VAL A 36 -8.695 -5.520 -0.190 1.00 15.32 O ATOM 607 CB VAL A 36 -9.008 -8.552 -1.610 1.00 20.30 C ATOM 608 CG1 VAL A 36 -9.803 -9.452 -0.628 1.00 13.23 C ATOM 609 CG2 VAL A 36 -9.964 -7.652 -2.439 1.00 13.02 C ATOM 0 H VAL A 36 -7.054 -9.558 -0.277 1.00 42.43 H new ATOM 0 HA VAL A 36 -7.366 -7.133 -1.653 1.00 21.11 H new ATOM 0 HB VAL A 36 -8.487 -9.216 -2.300 1.00 20.30 H new ATOM 0 HG11 VAL A 36 -10.557 -10.014 -1.179 1.00 13.23 H new ATOM 0 HG12 VAL A 36 -9.121 -10.146 -0.137 1.00 13.23 H new ATOM 0 HG13 VAL A 36 -10.290 -8.830 0.123 1.00 13.23 H new ATOM 0 HG21 VAL A 36 -10.719 -8.272 -2.923 1.00 13.02 H new ATOM 0 HG22 VAL A 36 -10.452 -6.935 -1.779 1.00 13.02 H new ATOM 0 HG23 VAL A 36 -9.393 -7.117 -3.198 1.00 13.02 H new ATOM 619 N TYR A 37 -8.822 -7.204 1.331 1.00 41.34 N ATOM 620 CA TYR A 37 -9.389 -6.412 2.438 1.00 73.31 C ATOM 621 C TYR A 37 -8.358 -5.373 2.940 1.00 64.31 C ATOM 622 O TYR A 37 -8.704 -4.221 3.210 1.00 34.53 O ATOM 623 CB TYR A 37 -9.819 -7.373 3.580 1.00 23.53 C ATOM 624 CG TYR A 37 -10.685 -6.741 4.680 1.00 51.40 C ATOM 625 CD1 TYR A 37 -12.051 -6.539 4.479 1.00 33.40 C ATOM 626 CD2 TYR A 37 -10.146 -6.346 5.914 1.00 71.24 C ATOM 627 CE1 TYR A 37 -12.848 -5.972 5.459 1.00 45.05 C ATOM 628 CE2 TYR A 37 -10.941 -5.779 6.897 1.00 3.03 C ATOM 629 CZ TYR A 37 -12.289 -5.593 6.666 1.00 3.43 C ATOM 630 OH TYR A 37 -13.084 -5.024 7.642 1.00 22.42 O ATOM 0 H TYR A 37 -8.667 -8.182 1.575 1.00 41.34 H new ATOM 0 HA TYR A 37 -10.264 -5.864 2.089 1.00 73.31 H new ATOM 0 HB2 TYR A 37 -10.368 -8.207 3.143 1.00 23.53 H new ATOM 0 HB3 TYR A 37 -8.922 -7.788 4.040 1.00 23.53 H new ATOM 0 HD1 TYR A 37 -12.496 -6.831 3.539 1.00 33.40 H new ATOM 0 HD2 TYR A 37 -9.092 -6.487 6.101 1.00 71.24 H new ATOM 0 HE1 TYR A 37 -13.903 -5.826 5.281 1.00 45.05 H new ATOM 0 HE2 TYR A 37 -10.507 -5.484 7.841 1.00 3.03 H new ATOM 0 HH TYR A 37 -12.538 -4.816 8.429 1.00 22.42 H new ATOM 640 N ALA A 38 -7.079 -5.800 3.023 1.00 61.54 N ATOM 641 CA ALA A 38 -5.951 -4.929 3.446 1.00 62.34 C ATOM 642 C ALA A 38 -5.730 -3.741 2.472 1.00 75.13 C ATOM 643 O ALA A 38 -5.364 -2.648 2.900 1.00 11.12 O ATOM 644 CB ALA A 38 -4.656 -5.749 3.575 1.00 74.35 C ATOM 0 H ALA A 38 -6.796 -6.754 2.800 1.00 61.54 H new ATOM 0 HA ALA A 38 -6.216 -4.514 4.418 1.00 62.34 H new ATOM 0 HB1 ALA A 38 -3.841 -5.095 3.885 1.00 74.35 H new ATOM 0 HB2 ALA A 38 -4.795 -6.534 4.318 1.00 74.35 H new ATOM 0 HB3 ALA A 38 -4.413 -6.200 2.613 1.00 74.35 H new ATOM 650 N ARG A 39 -5.958 -3.982 1.164 1.00 32.45 N ATOM 651 CA ARG A 39 -5.831 -2.947 0.102 1.00 25.33 C ATOM 652 C ARG A 39 -6.932 -1.877 0.226 1.00 12.51 C ATOM 653 O ARG A 39 -6.677 -0.686 0.030 1.00 4.30 O ATOM 654 CB ARG A 39 -5.898 -3.611 -1.297 1.00 21.42 C ATOM 655 CG ARG A 39 -4.739 -4.588 -1.588 1.00 43.12 C ATOM 656 CD ARG A 39 -4.941 -5.385 -2.886 1.00 34.13 C ATOM 657 NE ARG A 39 -3.860 -6.364 -3.114 1.00 62.30 N ATOM 658 CZ ARG A 39 -3.727 -7.114 -4.187 1.00 73.14 C ATOM 659 NH1 ARG A 39 -4.597 -7.076 -5.145 1.00 10.33 N ATOM 660 NH2 ARG A 39 -2.729 -7.925 -4.283 1.00 4.22 N ATOM 0 H ARG A 39 -6.235 -4.897 0.809 1.00 32.45 H new ATOM 0 HA ARG A 39 -4.866 -2.456 0.226 1.00 25.33 H new ATOM 0 HB2 ARG A 39 -6.842 -4.148 -1.388 1.00 21.42 H new ATOM 0 HB3 ARG A 39 -5.901 -2.830 -2.058 1.00 21.42 H new ATOM 0 HG2 ARG A 39 -3.806 -4.028 -1.653 1.00 43.12 H new ATOM 0 HG3 ARG A 39 -4.637 -5.282 -0.754 1.00 43.12 H new ATOM 0 HD2 ARG A 39 -5.898 -5.906 -2.845 1.00 34.13 H new ATOM 0 HD3 ARG A 39 -4.989 -4.696 -3.729 1.00 34.13 H new ATOM 0 HE ARG A 39 -3.159 -6.468 -2.380 1.00 62.30 H new ATOM 0 HH11 ARG A 39 -5.404 -6.456 -5.076 1.00 10.33 H new ATOM 0 HH12 ARG A 39 -4.475 -7.666 -5.968 1.00 10.33 H new ATOM 0 HH21 ARG A 39 -2.045 -7.984 -3.528 1.00 4.22 H new ATOM 0 HH22 ARG A 39 -2.623 -8.508 -5.114 1.00 4.22 H new ATOM 674 N GLU A 40 -8.155 -2.334 0.545 1.00 1.14 N ATOM 675 CA GLU A 40 -9.332 -1.461 0.747 1.00 1.24 C ATOM 676 C GLU A 40 -9.163 -0.547 1.991 1.00 44.20 C ATOM 677 O GLU A 40 -9.367 0.667 1.914 1.00 3.44 O ATOM 678 CB GLU A 40 -10.604 -2.334 0.902 1.00 73.31 C ATOM 679 CG GLU A 40 -10.941 -3.208 -0.323 1.00 5.52 C ATOM 680 CD GLU A 40 -12.187 -4.078 -0.108 1.00 13.54 C ATOM 681 OE1 GLU A 40 -13.312 -3.526 -0.099 1.00 72.40 O ATOM 682 OE2 GLU A 40 -12.055 -5.311 0.065 1.00 55.33 O ATOM 0 H GLU A 40 -8.360 -3.325 0.672 1.00 1.14 H new ATOM 0 HA GLU A 40 -9.428 -0.816 -0.126 1.00 1.24 H new ATOM 0 HB2 GLU A 40 -10.480 -2.982 1.770 1.00 73.31 H new ATOM 0 HB3 GLU A 40 -11.452 -1.682 1.110 1.00 73.31 H new ATOM 0 HG2 GLU A 40 -11.097 -2.566 -1.190 1.00 5.52 H new ATOM 0 HG3 GLU A 40 -10.090 -3.850 -0.551 1.00 5.52 H new ATOM 689 N GLN A 41 -8.778 -1.155 3.128 1.00 14.50 N ATOM 690 CA GLN A 41 -8.563 -0.432 4.406 1.00 34.42 C ATOM 691 C GLN A 41 -7.362 0.539 4.323 1.00 11.24 C ATOM 692 O GLN A 41 -7.375 1.609 4.940 1.00 5.23 O ATOM 693 CB GLN A 41 -8.366 -1.449 5.560 1.00 43.30 C ATOM 694 CG GLN A 41 -9.542 -2.428 5.761 1.00 22.13 C ATOM 695 CD GLN A 41 -10.885 -1.732 6.025 1.00 4.33 C ATOM 696 OE1 GLN A 41 -11.231 -1.427 7.161 1.00 62.43 O ATOM 697 NE2 GLN A 41 -11.661 -1.499 4.982 1.00 14.22 N ATOM 0 H GLN A 41 -8.606 -2.158 3.192 1.00 14.50 H new ATOM 0 HA GLN A 41 -9.450 0.170 4.605 1.00 34.42 H new ATOM 0 HB2 GLN A 41 -7.460 -2.024 5.369 1.00 43.30 H new ATOM 0 HB3 GLN A 41 -8.205 -0.900 6.488 1.00 43.30 H new ATOM 0 HG2 GLN A 41 -9.636 -3.056 4.875 1.00 22.13 H new ATOM 0 HG3 GLN A 41 -9.314 -3.089 6.597 1.00 22.13 H new ATOM 0 HE21 GLN A 41 -11.351 -1.762 4.047 1.00 14.22 H new ATOM 0 HE22 GLN A 41 -12.571 -1.056 5.112 1.00 14.22 H new ATOM 706 N LEU A 42 -6.339 0.155 3.545 1.00 11.05 N ATOM 707 CA LEU A 42 -5.160 1.007 3.284 1.00 4.52 C ATOM 708 C LEU A 42 -5.530 2.199 2.371 1.00 13.53 C ATOM 709 O LEU A 42 -5.034 3.311 2.565 1.00 2.44 O ATOM 710 CB LEU A 42 -4.019 0.161 2.665 1.00 22.24 C ATOM 711 CG LEU A 42 -2.683 0.906 2.378 1.00 5.53 C ATOM 712 CD1 LEU A 42 -2.177 1.655 3.625 1.00 62.35 C ATOM 713 CD2 LEU A 42 -1.614 -0.073 1.844 1.00 60.12 C ATOM 0 H LEU A 42 -6.302 -0.751 3.078 1.00 11.05 H new ATOM 0 HA LEU A 42 -4.810 1.417 4.231 1.00 4.52 H new ATOM 0 HB2 LEU A 42 -3.808 -0.672 3.336 1.00 22.24 H new ATOM 0 HB3 LEU A 42 -4.380 -0.267 1.729 1.00 22.24 H new ATOM 0 HG LEU A 42 -2.876 1.651 1.606 1.00 5.53 H new ATOM 0 HD11 LEU A 42 -1.242 2.164 3.389 1.00 62.35 H new ATOM 0 HD12 LEU A 42 -2.921 2.388 3.936 1.00 62.35 H new ATOM 0 HD13 LEU A 42 -2.009 0.944 4.433 1.00 62.35 H new ATOM 0 HD21 LEU A 42 -0.688 0.469 1.650 1.00 60.12 H new ATOM 0 HD22 LEU A 42 -1.430 -0.851 2.585 1.00 60.12 H new ATOM 0 HD23 LEU A 42 -1.968 -0.529 0.919 1.00 60.12 H new ATOM 725 N ALA A 43 -6.410 1.951 1.384 1.00 44.00 N ATOM 726 CA ALA A 43 -6.973 3.015 0.514 1.00 63.30 C ATOM 727 C ALA A 43 -7.761 4.065 1.343 1.00 24.44 C ATOM 728 O ALA A 43 -7.768 5.254 1.016 1.00 53.12 O ATOM 729 CB ALA A 43 -7.863 2.385 -0.570 1.00 3.24 C ATOM 0 H ALA A 43 -6.753 1.016 1.163 1.00 44.00 H new ATOM 0 HA ALA A 43 -6.149 3.539 0.031 1.00 63.30 H new ATOM 0 HB1 ALA A 43 -8.273 3.170 -1.205 1.00 3.24 H new ATOM 0 HB2 ALA A 43 -7.269 1.701 -1.176 1.00 3.24 H new ATOM 0 HB3 ALA A 43 -8.678 1.837 -0.098 1.00 3.24 H new ATOM 735 N MET A 44 -8.405 3.595 2.435 1.00 35.32 N ATOM 736 CA MET A 44 -9.093 4.468 3.419 1.00 51.23 C ATOM 737 C MET A 44 -8.080 5.298 4.254 1.00 53.54 C ATOM 738 O MET A 44 -8.354 6.444 4.609 1.00 20.01 O ATOM 739 CB MET A 44 -9.986 3.627 4.367 1.00 45.23 C ATOM 740 CG MET A 44 -11.135 2.882 3.676 1.00 44.23 C ATOM 741 SD MET A 44 -12.133 1.904 4.826 1.00 25.21 S ATOM 742 CE MET A 44 -12.775 3.165 5.939 1.00 34.33 C ATOM 0 H MET A 44 -8.464 2.602 2.661 1.00 35.32 H new ATOM 0 HA MET A 44 -9.719 5.159 2.855 1.00 51.23 H new ATOM 0 HB2 MET A 44 -9.359 2.900 4.884 1.00 45.23 H new ATOM 0 HB3 MET A 44 -10.404 4.285 5.128 1.00 45.23 H new ATOM 0 HG2 MET A 44 -11.776 3.603 3.169 1.00 44.23 H new ATOM 0 HG3 MET A 44 -10.726 2.225 2.909 1.00 44.23 H new ATOM 0 HE1 MET A 44 -13.612 2.758 6.506 1.00 34.33 H new ATOM 0 HE2 MET A 44 -11.989 3.478 6.626 1.00 34.33 H new ATOM 0 HE3 MET A 44 -13.114 4.024 5.359 1.00 34.33 H new ATOM 752 N ARG A 45 -6.912 4.696 4.573 1.00 64.52 N ATOM 753 CA ARG A 45 -5.815 5.388 5.308 1.00 60.15 C ATOM 754 C ARG A 45 -5.193 6.527 4.466 1.00 42.40 C ATOM 755 O ARG A 45 -4.851 7.583 4.994 1.00 1.43 O ATOM 756 CB ARG A 45 -4.691 4.377 5.692 1.00 1.55 C ATOM 757 CG ARG A 45 -5.100 3.284 6.698 1.00 4.22 C ATOM 758 CD ARG A 45 -5.438 3.847 8.092 1.00 41.44 C ATOM 759 NE ARG A 45 -5.731 2.769 9.053 1.00 20.14 N ATOM 760 CZ ARG A 45 -4.865 2.224 9.886 1.00 1.30 C ATOM 761 NH1 ARG A 45 -3.623 2.617 9.946 1.00 74.12 N ATOM 762 NH2 ARG A 45 -5.253 1.272 10.662 1.00 53.22 N ATOM 0 H ARG A 45 -6.699 3.728 4.334 1.00 64.52 H new ATOM 0 HA ARG A 45 -6.255 5.816 6.209 1.00 60.15 H new ATOM 0 HB2 ARG A 45 -4.334 3.894 4.782 1.00 1.55 H new ATOM 0 HB3 ARG A 45 -3.851 4.934 6.108 1.00 1.55 H new ATOM 0 HG2 ARG A 45 -5.965 2.746 6.310 1.00 4.22 H new ATOM 0 HG3 ARG A 45 -4.290 2.561 6.791 1.00 4.22 H new ATOM 0 HD2 ARG A 45 -4.602 4.444 8.457 1.00 41.44 H new ATOM 0 HD3 ARG A 45 -6.297 4.513 8.018 1.00 41.44 H new ATOM 0 HE ARG A 45 -6.687 2.413 9.076 1.00 20.14 H new ATOM 0 HH11 ARG A 45 -3.295 3.367 9.337 1.00 74.12 H new ATOM 0 HH12 ARG A 45 -2.979 2.174 10.602 1.00 74.12 H new ATOM 0 HH21 ARG A 45 -6.220 0.948 10.628 1.00 53.22 H new ATOM 0 HH22 ARG A 45 -4.594 0.842 11.311 1.00 53.22 H new ATOM 776 N THR A 46 -5.072 6.295 3.147 1.00 51.01 N ATOM 777 CA THR A 46 -4.227 7.121 2.241 1.00 33.41 C ATOM 778 C THR A 46 -5.023 7.918 1.182 1.00 64.55 C ATOM 779 O THR A 46 -4.406 8.556 0.326 1.00 24.01 O ATOM 780 CB THR A 46 -3.200 6.194 1.510 1.00 62.05 C ATOM 781 OG1 THR A 46 -3.895 5.177 0.767 1.00 13.21 O ATOM 782 CG2 THR A 46 -2.229 5.534 2.497 1.00 43.30 C ATOM 0 H THR A 46 -5.554 5.532 2.671 1.00 51.01 H new ATOM 0 HA THR A 46 -3.731 7.857 2.874 1.00 33.41 H new ATOM 0 HB THR A 46 -2.620 6.818 0.830 1.00 62.05 H new ATOM 0 HG1 THR A 46 -4.289 4.529 1.388 1.00 13.21 H new ATOM 0 HG21 THR A 46 -1.532 4.898 1.951 1.00 43.30 H new ATOM 0 HG22 THR A 46 -1.675 6.305 3.032 1.00 43.30 H new ATOM 0 HG23 THR A 46 -2.790 4.929 3.210 1.00 43.30 H new ATOM 790 N ASP A 47 -6.377 7.862 1.238 1.00 71.02 N ATOM 791 CA ASP A 47 -7.285 8.530 0.251 1.00 55.53 C ATOM 792 C ASP A 47 -7.141 7.957 -1.195 1.00 4.22 C ATOM 793 O ASP A 47 -7.655 8.545 -2.159 1.00 71.34 O ATOM 794 CB ASP A 47 -7.101 10.086 0.253 1.00 43.12 C ATOM 795 CG ASP A 47 -7.539 10.751 1.570 1.00 62.22 C ATOM 796 OD1 ASP A 47 -6.770 10.714 2.557 1.00 0.12 O ATOM 797 OD2 ASP A 47 -8.656 11.319 1.631 1.00 52.12 O ATOM 0 H ASP A 47 -6.878 7.354 1.967 1.00 71.02 H new ATOM 0 HA ASP A 47 -8.299 8.306 0.581 1.00 55.53 H new ATOM 0 HB2 ASP A 47 -6.053 10.321 0.067 1.00 43.12 H new ATOM 0 HB3 ASP A 47 -7.674 10.513 -0.570 1.00 43.12 H new ATOM 802 N LEU A 48 -6.492 6.781 -1.329 1.00 22.05 N ATOM 803 CA LEU A 48 -6.243 6.130 -2.638 1.00 24.50 C ATOM 804 C LEU A 48 -7.418 5.235 -3.072 1.00 11.40 C ATOM 805 O LEU A 48 -8.424 5.090 -2.373 1.00 43.21 O ATOM 806 CB LEU A 48 -4.942 5.270 -2.577 1.00 15.11 C ATOM 807 CG LEU A 48 -3.593 6.047 -2.486 1.00 42.40 C ATOM 808 CD1 LEU A 48 -2.399 5.077 -2.322 1.00 71.41 C ATOM 809 CD2 LEU A 48 -3.400 6.975 -3.710 1.00 32.41 C ATOM 0 H LEU A 48 -6.125 6.255 -0.536 1.00 22.05 H new ATOM 0 HA LEU A 48 -6.131 6.927 -3.373 1.00 24.50 H new ATOM 0 HB2 LEU A 48 -5.012 4.608 -1.714 1.00 15.11 H new ATOM 0 HB3 LEU A 48 -4.911 4.637 -3.464 1.00 15.11 H new ATOM 0 HG LEU A 48 -3.631 6.676 -1.597 1.00 42.40 H new ATOM 0 HD11 LEU A 48 -1.472 5.648 -2.261 1.00 71.41 H new ATOM 0 HD12 LEU A 48 -2.526 4.494 -1.410 1.00 71.41 H new ATOM 0 HD13 LEU A 48 -2.356 4.405 -3.179 1.00 71.41 H new ATOM 0 HD21 LEU A 48 -2.451 7.504 -3.620 1.00 32.41 H new ATOM 0 HD22 LEU A 48 -3.397 6.378 -4.622 1.00 32.41 H new ATOM 0 HD23 LEU A 48 -4.215 7.697 -3.751 1.00 32.41 H new ATOM 821 N THR A 49 -7.259 4.658 -4.261 1.00 32.11 N ATOM 822 CA THR A 49 -8.120 3.580 -4.789 1.00 4.21 C ATOM 823 C THR A 49 -7.313 2.259 -4.794 1.00 23.34 C ATOM 824 O THR A 49 -6.074 2.305 -4.827 1.00 4.42 O ATOM 825 CB THR A 49 -8.598 3.941 -6.237 1.00 51.53 C ATOM 826 OG1 THR A 49 -9.064 5.305 -6.261 1.00 43.31 O ATOM 827 CG2 THR A 49 -9.726 3.024 -6.739 1.00 60.23 C ATOM 0 H THR A 49 -6.515 4.926 -4.905 1.00 32.11 H new ATOM 0 HA THR A 49 -9.002 3.462 -4.160 1.00 4.21 H new ATOM 0 HB THR A 49 -7.742 3.805 -6.898 1.00 51.53 H new ATOM 0 HG1 THR A 49 -9.362 5.533 -7.166 1.00 43.31 H new ATOM 0 HG21 THR A 49 -10.016 3.322 -7.747 1.00 60.23 H new ATOM 0 HG22 THR A 49 -9.377 1.991 -6.752 1.00 60.23 H new ATOM 0 HG23 THR A 49 -10.586 3.108 -6.075 1.00 60.23 H new ATOM 835 N GLU A 50 -8.009 1.098 -4.763 1.00 74.43 N ATOM 836 CA GLU A 50 -7.369 -0.252 -4.739 1.00 24.13 C ATOM 837 C GLU A 50 -6.293 -0.416 -5.846 1.00 3.14 C ATOM 838 O GLU A 50 -5.262 -1.050 -5.624 1.00 70.14 O ATOM 839 CB GLU A 50 -8.452 -1.364 -4.883 1.00 50.50 C ATOM 840 CG GLU A 50 -7.918 -2.812 -4.767 1.00 33.34 C ATOM 841 CD GLU A 50 -9.013 -3.881 -4.960 1.00 3.45 C ATOM 842 OE1 GLU A 50 -9.332 -4.212 -6.124 1.00 43.10 O ATOM 843 OE2 GLU A 50 -9.552 -4.393 -3.956 1.00 13.12 O ATOM 0 H GLU A 50 -9.028 1.064 -4.754 1.00 74.43 H new ATOM 0 HA GLU A 50 -6.866 -0.351 -3.777 1.00 24.13 H new ATOM 0 HB2 GLU A 50 -9.213 -1.211 -4.118 1.00 50.50 H new ATOM 0 HB3 GLU A 50 -8.943 -1.250 -5.849 1.00 50.50 H new ATOM 0 HG2 GLU A 50 -7.136 -2.964 -5.510 1.00 33.34 H new ATOM 0 HG3 GLU A 50 -7.458 -2.945 -3.788 1.00 33.34 H new ATOM 850 N ALA A 51 -6.556 0.170 -7.033 1.00 25.43 N ATOM 851 CA ALA A 51 -5.584 0.217 -8.152 1.00 14.41 C ATOM 852 C ALA A 51 -4.237 0.850 -7.721 1.00 50.14 C ATOM 853 O ALA A 51 -3.191 0.231 -7.848 1.00 54.42 O ATOM 854 CB ALA A 51 -6.184 0.998 -9.329 1.00 52.23 C ATOM 0 H ALA A 51 -7.445 0.623 -7.245 1.00 25.43 H new ATOM 0 HA ALA A 51 -5.379 -0.808 -8.460 1.00 14.41 H new ATOM 0 HB1 ALA A 51 -5.466 1.030 -10.148 1.00 52.23 H new ATOM 0 HB2 ALA A 51 -7.097 0.506 -9.665 1.00 52.23 H new ATOM 0 HB3 ALA A 51 -6.416 2.014 -9.011 1.00 52.23 H new ATOM 860 N ARG A 52 -4.295 2.076 -7.167 1.00 61.22 N ATOM 861 CA ARG A 52 -3.083 2.849 -6.761 1.00 72.44 C ATOM 862 C ARG A 52 -2.349 2.220 -5.549 1.00 72.40 C ATOM 863 O ARG A 52 -1.145 2.436 -5.374 1.00 2.13 O ATOM 864 CB ARG A 52 -3.442 4.346 -6.491 1.00 23.34 C ATOM 865 CG ARG A 52 -3.426 5.255 -7.750 1.00 45.45 C ATOM 866 CD ARG A 52 -4.408 4.802 -8.850 1.00 64.02 C ATOM 867 NE ARG A 52 -4.192 5.522 -10.120 1.00 5.35 N ATOM 868 CZ ARG A 52 -3.990 4.962 -11.303 1.00 52.03 C ATOM 869 NH1 ARG A 52 -4.007 3.667 -11.458 1.00 4.15 N ATOM 870 NH2 ARG A 52 -3.770 5.714 -12.328 1.00 74.42 N ATOM 0 H ARG A 52 -5.172 2.564 -6.985 1.00 61.22 H new ATOM 0 HA ARG A 52 -2.387 2.807 -7.599 1.00 72.44 H new ATOM 0 HB2 ARG A 52 -4.433 4.392 -6.039 1.00 23.34 H new ATOM 0 HB3 ARG A 52 -2.740 4.748 -5.761 1.00 23.34 H new ATOM 0 HG2 ARG A 52 -3.670 6.275 -7.454 1.00 45.45 H new ATOM 0 HG3 ARG A 52 -2.417 5.275 -8.161 1.00 45.45 H new ATOM 0 HD2 ARG A 52 -4.295 3.731 -9.018 1.00 64.02 H new ATOM 0 HD3 ARG A 52 -5.431 4.965 -8.511 1.00 64.02 H new ATOM 0 HE ARG A 52 -4.199 6.541 -10.083 1.00 5.35 H new ATOM 0 HH11 ARG A 52 -4.179 3.060 -10.657 1.00 4.15 H new ATOM 0 HH12 ARG A 52 -3.848 3.262 -12.380 1.00 4.15 H new ATOM 0 HH21 ARG A 52 -3.753 6.728 -12.222 1.00 74.42 H new ATOM 0 HH22 ARG A 52 -3.613 5.294 -13.244 1.00 74.42 H new ATOM 884 N VAL A 53 -3.084 1.454 -4.721 1.00 44.33 N ATOM 885 CA VAL A 53 -2.482 0.643 -3.636 1.00 52.51 C ATOM 886 C VAL A 53 -1.620 -0.499 -4.243 1.00 65.20 C ATOM 887 O VAL A 53 -0.430 -0.603 -3.953 1.00 43.41 O ATOM 888 CB VAL A 53 -3.589 0.053 -2.678 1.00 62.13 C ATOM 889 CG1 VAL A 53 -2.971 -0.864 -1.588 1.00 0.34 C ATOM 890 CG2 VAL A 53 -4.426 1.191 -2.033 1.00 41.15 C ATOM 0 H VAL A 53 -4.099 1.377 -4.780 1.00 44.33 H new ATOM 0 HA VAL A 53 -1.842 1.293 -3.039 1.00 52.51 H new ATOM 0 HB VAL A 53 -4.255 -0.560 -3.285 1.00 62.13 H new ATOM 0 HG11 VAL A 53 -3.763 -1.252 -0.947 1.00 0.34 H new ATOM 0 HG12 VAL A 53 -2.450 -1.695 -2.064 1.00 0.34 H new ATOM 0 HG13 VAL A 53 -2.266 -0.290 -0.987 1.00 0.34 H new ATOM 0 HG21 VAL A 53 -5.182 0.760 -1.377 1.00 41.15 H new ATOM 0 HG22 VAL A 53 -3.771 1.841 -1.453 1.00 41.15 H new ATOM 0 HG23 VAL A 53 -4.913 1.773 -2.816 1.00 41.15 H new ATOM 900 N GLN A 54 -2.238 -1.300 -5.137 1.00 63.32 N ATOM 901 CA GLN A 54 -1.565 -2.430 -5.845 1.00 34.25 C ATOM 902 C GLN A 54 -0.309 -1.960 -6.621 1.00 15.05 C ATOM 903 O GLN A 54 0.774 -2.517 -6.444 1.00 71.53 O ATOM 904 CB GLN A 54 -2.555 -3.120 -6.824 1.00 11.22 C ATOM 905 CG GLN A 54 -3.743 -3.835 -6.154 1.00 70.22 C ATOM 906 CD GLN A 54 -4.761 -4.394 -7.158 1.00 2.31 C ATOM 907 OE1 GLN A 54 -4.658 -5.531 -7.611 1.00 74.42 O ATOM 908 NE2 GLN A 54 -5.744 -3.596 -7.520 1.00 70.10 N ATOM 0 H GLN A 54 -3.219 -1.188 -5.394 1.00 63.32 H new ATOM 0 HA GLN A 54 -1.244 -3.143 -5.085 1.00 34.25 H new ATOM 0 HB2 GLN A 54 -2.944 -2.370 -7.512 1.00 11.22 H new ATOM 0 HB3 GLN A 54 -2.004 -3.846 -7.422 1.00 11.22 H new ATOM 0 HG2 GLN A 54 -3.366 -4.651 -5.537 1.00 70.22 H new ATOM 0 HG3 GLN A 54 -4.248 -3.137 -5.486 1.00 70.22 H new ATOM 0 HE21 GLN A 54 -5.808 -2.656 -7.129 1.00 70.10 H new ATOM 0 HE22 GLN A 54 -6.442 -3.918 -8.191 1.00 70.10 H new ATOM 917 N VAL A 55 -0.484 -0.911 -7.454 1.00 55.42 N ATOM 918 CA VAL A 55 0.600 -0.305 -8.271 1.00 31.44 C ATOM 919 C VAL A 55 1.790 0.156 -7.393 1.00 11.21 C ATOM 920 O VAL A 55 2.954 -0.036 -7.777 1.00 12.23 O ATOM 921 CB VAL A 55 0.059 0.894 -9.147 1.00 3.41 C ATOM 922 CG1 VAL A 55 1.197 1.634 -9.908 1.00 33.53 C ATOM 923 CG2 VAL A 55 -1.018 0.398 -10.145 1.00 24.04 C ATOM 0 H VAL A 55 -1.387 -0.455 -7.582 1.00 55.42 H new ATOM 0 HA VAL A 55 0.963 -1.082 -8.944 1.00 31.44 H new ATOM 0 HB VAL A 55 -0.391 1.610 -8.460 1.00 3.41 H new ATOM 0 HG11 VAL A 55 0.772 2.449 -10.495 1.00 33.53 H new ATOM 0 HG12 VAL A 55 1.912 2.037 -9.191 1.00 33.53 H new ATOM 0 HG13 VAL A 55 1.705 0.935 -10.572 1.00 33.53 H new ATOM 0 HG21 VAL A 55 -1.378 1.238 -10.739 1.00 24.04 H new ATOM 0 HG22 VAL A 55 -0.584 -0.353 -10.805 1.00 24.04 H new ATOM 0 HG23 VAL A 55 -1.850 -0.040 -9.594 1.00 24.04 H new ATOM 933 N TRP A 56 1.489 0.731 -6.200 1.00 75.12 N ATOM 934 CA TRP A 56 2.538 1.124 -5.230 1.00 42.52 C ATOM 935 C TRP A 56 3.404 -0.104 -4.850 1.00 5.14 C ATOM 936 O TRP A 56 4.617 -0.077 -5.028 1.00 62.53 O ATOM 937 CB TRP A 56 1.938 1.772 -3.948 1.00 61.52 C ATOM 938 CG TRP A 56 2.994 2.331 -2.996 1.00 33.13 C ATOM 939 CD1 TRP A 56 3.576 3.565 -3.067 1.00 33.35 C ATOM 940 CD2 TRP A 56 3.608 1.674 -1.865 1.00 60.03 C ATOM 941 NE1 TRP A 56 4.488 3.722 -2.054 1.00 42.21 N ATOM 942 CE2 TRP A 56 4.528 2.582 -1.304 1.00 13.45 C ATOM 943 CE3 TRP A 56 3.462 0.418 -1.268 1.00 11.33 C ATOM 944 CZ2 TRP A 56 5.303 2.272 -0.184 1.00 22.03 C ATOM 945 CZ3 TRP A 56 4.228 0.111 -0.156 1.00 33.23 C ATOM 946 CH2 TRP A 56 5.137 1.037 0.376 1.00 41.40 C ATOM 0 H TRP A 56 0.538 0.930 -5.891 1.00 75.12 H new ATOM 0 HA TRP A 56 3.163 1.874 -5.714 1.00 42.52 H new ATOM 0 HB2 TRP A 56 1.261 2.575 -4.239 1.00 61.52 H new ATOM 0 HB3 TRP A 56 1.341 1.028 -3.420 1.00 61.52 H new ATOM 0 HD1 TRP A 56 3.350 4.311 -3.814 1.00 33.35 H new ATOM 0 HE1 TRP A 56 5.048 4.558 -1.888 1.00 42.21 H new ATOM 0 HE3 TRP A 56 2.763 -0.301 -1.668 1.00 11.33 H new ATOM 0 HZ2 TRP A 56 6.007 2.982 0.224 1.00 22.03 H new ATOM 0 HZ3 TRP A 56 4.124 -0.858 0.309 1.00 33.23 H new ATOM 0 HH2 TRP A 56 5.718 0.768 1.246 1.00 41.40 H new ATOM 957 N PHE A 57 2.741 -1.191 -4.388 1.00 12.43 N ATOM 958 CA PHE A 57 3.413 -2.449 -3.954 1.00 71.31 C ATOM 959 C PHE A 57 4.204 -3.141 -5.095 1.00 4.35 C ATOM 960 O PHE A 57 5.248 -3.736 -4.834 1.00 0.11 O ATOM 961 CB PHE A 57 2.384 -3.444 -3.337 1.00 41.03 C ATOM 962 CG PHE A 57 1.955 -3.095 -1.915 1.00 1.32 C ATOM 963 CD1 PHE A 57 0.918 -2.203 -1.671 1.00 11.31 C ATOM 964 CD2 PHE A 57 2.602 -3.658 -0.817 1.00 4.22 C ATOM 965 CE1 PHE A 57 0.543 -1.883 -0.384 1.00 75.31 C ATOM 966 CE2 PHE A 57 2.226 -3.338 0.469 1.00 54.21 C ATOM 967 CZ PHE A 57 1.199 -2.448 0.687 1.00 50.24 C ATOM 0 H PHE A 57 1.725 -1.225 -4.304 1.00 12.43 H new ATOM 0 HA PHE A 57 4.138 -2.159 -3.193 1.00 71.31 H new ATOM 0 HB2 PHE A 57 1.500 -3.477 -3.974 1.00 41.03 H new ATOM 0 HB3 PHE A 57 2.816 -4.445 -3.339 1.00 41.03 H new ATOM 0 HD1 PHE A 57 0.397 -1.753 -2.503 1.00 11.31 H new ATOM 0 HD2 PHE A 57 3.411 -4.356 -0.977 1.00 4.22 H new ATOM 0 HE1 PHE A 57 -0.266 -1.188 -0.215 1.00 75.31 H new ATOM 0 HE2 PHE A 57 2.738 -3.786 1.308 1.00 54.21 H new ATOM 0 HZ PHE A 57 0.908 -2.193 1.695 1.00 50.24 H new ATOM 977 N GLN A 58 3.712 -3.052 -6.348 1.00 30.34 N ATOM 978 CA GLN A 58 4.398 -3.658 -7.525 1.00 34.10 C ATOM 979 C GLN A 58 5.784 -3.006 -7.770 1.00 44.23 C ATOM 980 O GLN A 58 6.807 -3.701 -7.844 1.00 32.44 O ATOM 981 CB GLN A 58 3.510 -3.534 -8.794 1.00 20.24 C ATOM 982 CG GLN A 58 2.183 -4.312 -8.717 1.00 24.40 C ATOM 983 CD GLN A 58 1.328 -4.187 -9.984 1.00 42.25 C ATOM 984 OE1 GLN A 58 0.506 -3.286 -10.108 1.00 70.15 O ATOM 985 NE2 GLN A 58 1.514 -5.087 -10.931 1.00 53.25 N ATOM 0 H GLN A 58 2.844 -2.569 -6.578 1.00 30.34 H new ATOM 0 HA GLN A 58 4.559 -4.714 -7.309 1.00 34.10 H new ATOM 0 HB2 GLN A 58 3.291 -2.481 -8.968 1.00 20.24 H new ATOM 0 HB3 GLN A 58 4.076 -3.888 -9.655 1.00 20.24 H new ATOM 0 HG2 GLN A 58 2.398 -5.365 -8.535 1.00 24.40 H new ATOM 0 HG3 GLN A 58 1.609 -3.952 -7.863 1.00 24.40 H new ATOM 0 HE21 GLN A 58 2.204 -5.827 -10.803 1.00 53.25 H new ATOM 0 HE22 GLN A 58 0.967 -5.043 -11.791 1.00 53.25 H new ATOM 994 N ASN A 59 5.800 -1.662 -7.858 1.00 63.44 N ATOM 995 CA ASN A 59 7.051 -0.884 -8.047 1.00 4.35 C ATOM 996 C ASN A 59 7.904 -0.860 -6.754 1.00 31.02 C ATOM 997 O ASN A 59 9.129 -0.723 -6.810 1.00 4.05 O ATOM 998 CB ASN A 59 6.732 0.556 -8.523 1.00 24.23 C ATOM 999 CG ASN A 59 6.051 0.587 -9.896 1.00 20.04 C ATOM 1000 OD1 ASN A 59 6.710 0.557 -10.926 1.00 31.52 O ATOM 1001 ND2 ASN A 59 4.733 0.676 -9.926 1.00 14.01 N ATOM 0 H ASN A 59 4.960 -1.086 -7.802 1.00 63.44 H new ATOM 0 HA ASN A 59 7.638 -1.381 -8.820 1.00 4.35 H new ATOM 0 HB2 ASN A 59 6.087 1.042 -7.791 1.00 24.23 H new ATOM 0 HB3 ASN A 59 7.656 1.133 -8.567 1.00 24.23 H new ATOM 0 HD21 ASN A 59 4.245 0.721 -10.821 1.00 14.01 H new ATOM 0 HD22 ASN A 59 4.203 0.699 -9.055 1.00 14.01 H new ATOM 1008 N ARG A 60 7.242 -1.026 -5.595 1.00 71.33 N ATOM 1009 CA ARG A 60 7.911 -1.066 -4.277 1.00 43.33 C ATOM 1010 C ARG A 60 8.727 -2.371 -4.104 1.00 54.53 C ATOM 1011 O ARG A 60 9.803 -2.352 -3.519 1.00 2.42 O ATOM 1012 CB ARG A 60 6.866 -0.921 -3.142 1.00 13.05 C ATOM 1013 CG ARG A 60 7.449 -0.850 -1.725 1.00 54.00 C ATOM 1014 CD ARG A 60 8.351 0.376 -1.506 1.00 22.35 C ATOM 1015 NE ARG A 60 8.956 0.346 -0.170 1.00 32.51 N ATOM 1016 CZ ARG A 60 10.210 0.056 0.103 1.00 23.43 C ATOM 1017 NH1 ARG A 60 11.057 -0.224 -0.845 1.00 52.31 N ATOM 1018 NH2 ARG A 60 10.600 0.031 1.330 1.00 74.05 N ATOM 0 H ARG A 60 6.229 -1.136 -5.543 1.00 71.33 H new ATOM 0 HA ARG A 60 8.607 -0.229 -4.222 1.00 43.33 H new ATOM 0 HB2 ARG A 60 6.280 -0.020 -3.322 1.00 13.05 H new ATOM 0 HB3 ARG A 60 6.178 -1.765 -3.193 1.00 13.05 H new ATOM 0 HG2 ARG A 60 6.633 -0.827 -1.003 1.00 54.00 H new ATOM 0 HG3 ARG A 60 8.023 -1.756 -1.528 1.00 54.00 H new ATOM 0 HD2 ARG A 60 9.134 0.397 -2.264 1.00 22.35 H new ATOM 0 HD3 ARG A 60 7.767 1.289 -1.625 1.00 22.35 H new ATOM 0 HE ARG A 60 8.350 0.570 0.619 1.00 32.51 H new ATOM 0 HH11 ARG A 60 10.752 -0.221 -1.818 1.00 52.31 H new ATOM 0 HH12 ARG A 60 12.025 -0.446 -0.614 1.00 52.31 H new ATOM 0 HH21 ARG A 60 9.939 0.235 2.080 1.00 74.05 H new ATOM 0 HH22 ARG A 60 11.570 -0.193 1.552 1.00 74.05 H new ATOM 1032 N ARG A 61 8.188 -3.496 -4.615 1.00 24.04 N ATOM 1033 CA ARG A 61 8.906 -4.799 -4.654 1.00 21.25 C ATOM 1034 C ARG A 61 10.055 -4.772 -5.690 1.00 52.01 C ATOM 1035 O ARG A 61 11.116 -5.351 -5.461 1.00 52.25 O ATOM 1036 CB ARG A 61 7.920 -5.944 -4.995 1.00 30.21 C ATOM 1037 CG ARG A 61 6.894 -6.281 -3.888 1.00 42.01 C ATOM 1038 CD ARG A 61 5.812 -7.270 -4.371 1.00 74.14 C ATOM 1039 NE ARG A 61 6.391 -8.536 -4.875 1.00 23.13 N ATOM 1040 CZ ARG A 61 6.392 -8.944 -6.137 1.00 2.44 C ATOM 1041 NH1 ARG A 61 5.913 -8.204 -7.094 1.00 43.21 N ATOM 1042 NH2 ARG A 61 6.891 -10.098 -6.428 1.00 22.52 N ATOM 0 H ARG A 61 7.249 -3.534 -5.012 1.00 24.04 H new ATOM 0 HA ARG A 61 9.336 -4.975 -3.668 1.00 21.25 H new ATOM 0 HB2 ARG A 61 7.377 -5.677 -5.902 1.00 30.21 H new ATOM 0 HB3 ARG A 61 8.495 -6.842 -5.221 1.00 30.21 H new ATOM 0 HG2 ARG A 61 7.415 -6.707 -3.031 1.00 42.01 H new ATOM 0 HG3 ARG A 61 6.417 -5.362 -3.547 1.00 42.01 H new ATOM 0 HD2 ARG A 61 5.129 -7.487 -3.550 1.00 74.14 H new ATOM 0 HD3 ARG A 61 5.223 -6.803 -5.160 1.00 74.14 H new ATOM 0 HE ARG A 61 6.829 -9.151 -4.189 1.00 23.13 H new ATOM 0 HH11 ARG A 61 5.524 -7.285 -6.882 1.00 43.21 H new ATOM 0 HH12 ARG A 61 5.926 -8.543 -8.056 1.00 43.21 H new ATOM 0 HH21 ARG A 61 7.279 -10.686 -5.691 1.00 22.52 H new ATOM 0 HH22 ARG A 61 6.897 -10.422 -7.395 1.00 22.52 H new ATOM 1056 N ALA A 62 9.821 -4.098 -6.834 1.00 51.54 N ATOM 1057 CA ALA A 62 10.856 -3.902 -7.880 1.00 74.40 C ATOM 1058 C ALA A 62 12.036 -3.037 -7.358 1.00 71.43 C ATOM 1059 O ALA A 62 13.177 -3.183 -7.804 1.00 32.10 O ATOM 1060 CB ALA A 62 10.224 -3.267 -9.130 1.00 22.22 C ATOM 0 H ALA A 62 8.920 -3.677 -7.062 1.00 51.54 H new ATOM 0 HA ALA A 62 11.262 -4.878 -8.145 1.00 74.40 H new ATOM 0 HB1 ALA A 62 10.989 -3.126 -9.893 1.00 22.22 H new ATOM 0 HB2 ALA A 62 9.443 -3.922 -9.516 1.00 22.22 H new ATOM 0 HB3 ALA A 62 9.791 -2.302 -8.868 1.00 22.22 H new ATOM 1066 N LYS A 63 11.732 -2.135 -6.405 1.00 0.31 N ATOM 1067 CA LYS A 63 12.732 -1.279 -5.730 1.00 41.30 C ATOM 1068 C LYS A 63 13.457 -2.052 -4.593 1.00 51.42 C ATOM 1069 O LYS A 63 14.692 -2.067 -4.517 1.00 72.25 O ATOM 1070 CB LYS A 63 12.023 -0.018 -5.156 1.00 60.32 C ATOM 1071 CG LYS A 63 12.972 1.019 -4.511 1.00 35.44 C ATOM 1072 CD LYS A 63 12.233 2.281 -4.001 1.00 31.41 C ATOM 1073 CE LYS A 63 13.202 3.379 -3.514 1.00 40.05 C ATOM 1074 NZ LYS A 63 14.093 3.857 -4.606 1.00 11.13 N ATOM 0 H LYS A 63 10.779 -1.977 -6.078 1.00 0.31 H new ATOM 0 HA LYS A 63 13.485 -0.978 -6.459 1.00 41.30 H new ATOM 0 HB2 LYS A 63 11.468 0.467 -5.959 1.00 60.32 H new ATOM 0 HB3 LYS A 63 11.293 -0.335 -4.411 1.00 60.32 H new ATOM 0 HG2 LYS A 63 13.499 0.552 -3.679 1.00 35.44 H new ATOM 0 HG3 LYS A 63 13.726 1.316 -5.240 1.00 35.44 H new ATOM 0 HD2 LYS A 63 11.609 2.680 -4.801 1.00 31.41 H new ATOM 0 HD3 LYS A 63 11.566 2.002 -3.185 1.00 31.41 H new ATOM 0 HE2 LYS A 63 12.630 4.218 -3.118 1.00 40.05 H new ATOM 0 HE3 LYS A 63 13.808 2.991 -2.695 1.00 40.05 H new ATOM 0 HZ1 LYS A 63 14.556 4.741 -4.314 1.00 11.13 H new ATOM 0 HZ2 LYS A 63 14.816 3.136 -4.805 1.00 11.13 H new ATOM 0 HZ3 LYS A 63 13.530 4.028 -5.464 1.00 11.13 H new ATOM 1088 N TRP A 64 12.652 -2.707 -3.732 1.00 53.54 N ATOM 1089 CA TRP A 64 13.116 -3.390 -2.499 1.00 71.55 C ATOM 1090 C TRP A 64 13.934 -4.668 -2.821 1.00 32.12 C ATOM 1091 O TRP A 64 15.065 -4.825 -2.347 1.00 22.33 O ATOM 1092 CB TRP A 64 11.881 -3.698 -1.595 1.00 32.22 C ATOM 1093 CG TRP A 64 12.135 -4.649 -0.443 1.00 54.00 C ATOM 1094 CD1 TRP A 64 12.726 -4.375 0.757 1.00 20.30 C ATOM 1095 CD2 TRP A 64 11.798 -6.038 -0.414 1.00 71.34 C ATOM 1096 NE1 TRP A 64 12.785 -5.516 1.517 1.00 33.05 N ATOM 1097 CE2 TRP A 64 12.221 -6.550 0.817 1.00 23.33 C ATOM 1098 CE3 TRP A 64 11.178 -6.886 -1.329 1.00 61.34 C ATOM 1099 CZ2 TRP A 64 12.043 -7.888 1.164 1.00 24.53 C ATOM 1100 CZ3 TRP A 64 10.998 -8.213 -0.995 1.00 24.21 C ATOM 1101 CH2 TRP A 64 11.436 -8.706 0.243 1.00 35.10 C ATOM 0 H TRP A 64 11.644 -2.780 -3.873 1.00 53.54 H new ATOM 0 HA TRP A 64 13.794 -2.730 -1.958 1.00 71.55 H new ATOM 0 HB2 TRP A 64 11.505 -2.758 -1.191 1.00 32.22 H new ATOM 0 HB3 TRP A 64 11.091 -4.115 -2.220 1.00 32.22 H new ATOM 0 HD1 TRP A 64 13.092 -3.406 1.062 1.00 20.30 H new ATOM 0 HE1 TRP A 64 13.185 -5.584 2.453 1.00 33.05 H new ATOM 0 HE3 TRP A 64 10.843 -6.511 -2.285 1.00 61.34 H new ATOM 0 HZ2 TRP A 64 12.370 -8.267 2.121 1.00 24.53 H new ATOM 0 HZ3 TRP A 64 10.515 -8.879 -1.694 1.00 24.21 H new ATOM 0 HH2 TRP A 64 11.293 -9.751 0.477 1.00 35.10 H new ATOM 1112 N ARG A 65 13.338 -5.582 -3.604 1.00 41.24 N ATOM 1113 CA ARG A 65 13.994 -6.847 -4.007 1.00 13.42 C ATOM 1114 C ARG A 65 15.089 -6.555 -5.069 1.00 10.42 C ATOM 1115 O ARG A 65 14.819 -6.559 -6.279 1.00 63.33 O ATOM 1116 CB ARG A 65 12.921 -7.847 -4.538 1.00 42.54 C ATOM 1117 CG ARG A 65 13.419 -9.297 -4.762 1.00 35.11 C ATOM 1118 CD ARG A 65 12.305 -10.220 -5.302 1.00 31.03 C ATOM 1119 NE ARG A 65 12.729 -11.630 -5.405 1.00 10.44 N ATOM 1120 CZ ARG A 65 12.049 -12.589 -6.002 1.00 51.41 C ATOM 1121 NH1 ARG A 65 10.949 -12.342 -6.649 1.00 15.42 N ATOM 1122 NH2 ARG A 65 12.496 -13.800 -5.956 1.00 34.22 N ATOM 0 H ARG A 65 12.395 -5.471 -3.976 1.00 41.24 H new ATOM 0 HA ARG A 65 14.481 -7.306 -3.147 1.00 13.42 H new ATOM 0 HB2 ARG A 65 12.090 -7.871 -3.833 1.00 42.54 H new ATOM 0 HB3 ARG A 65 12.528 -7.466 -5.481 1.00 42.54 H new ATOM 0 HG2 ARG A 65 14.253 -9.288 -5.464 1.00 35.11 H new ATOM 0 HG3 ARG A 65 13.797 -9.699 -3.822 1.00 35.11 H new ATOM 0 HD2 ARG A 65 11.436 -10.154 -4.648 1.00 31.03 H new ATOM 0 HD3 ARG A 65 11.992 -9.867 -6.285 1.00 31.03 H new ATOM 0 HE ARG A 65 13.621 -11.883 -4.980 1.00 10.44 H new ATOM 0 HH11 ARG A 65 10.593 -11.388 -6.704 1.00 15.42 H new ATOM 0 HH12 ARG A 65 10.442 -13.102 -7.102 1.00 15.42 H new ATOM 0 HH21 ARG A 65 13.365 -14.005 -5.462 1.00 34.22 H new ATOM 0 HH22 ARG A 65 11.980 -14.552 -6.413 1.00 34.22 H new ATOM 1136 N LYS A 66 16.309 -6.235 -4.587 1.00 13.41 N ATOM 1137 CA LYS A 66 17.425 -5.798 -5.444 1.00 65.24 C ATOM 1138 C LYS A 66 18.779 -6.333 -4.908 1.00 33.22 C ATOM 1139 O LYS A 66 19.212 -5.969 -3.810 1.00 32.21 O ATOM 1140 CB LYS A 66 17.441 -4.245 -5.526 1.00 34.31 C ATOM 1141 CG LYS A 66 18.376 -3.664 -6.611 1.00 53.33 C ATOM 1142 CD LYS A 66 17.950 -4.089 -8.038 1.00 63.02 C ATOM 1143 CE LYS A 66 18.755 -3.376 -9.139 1.00 61.51 C ATOM 1144 NZ LYS A 66 18.511 -1.904 -9.142 1.00 41.20 N ATOM 0 H LYS A 66 16.545 -6.273 -3.595 1.00 13.41 H new ATOM 0 HA LYS A 66 17.281 -6.207 -6.444 1.00 65.24 H new ATOM 0 HB2 LYS A 66 16.426 -3.894 -5.715 1.00 34.31 H new ATOM 0 HB3 LYS A 66 17.741 -3.847 -4.557 1.00 34.31 H new ATOM 0 HG2 LYS A 66 18.377 -2.576 -6.543 1.00 53.33 H new ATOM 0 HG3 LYS A 66 19.397 -3.996 -6.424 1.00 53.33 H new ATOM 0 HD2 LYS A 66 18.075 -5.167 -8.143 1.00 63.02 H new ATOM 0 HD3 LYS A 66 16.890 -3.876 -8.174 1.00 63.02 H new ATOM 0 HE2 LYS A 66 19.818 -3.567 -8.993 1.00 61.51 H new ATOM 0 HE3 LYS A 66 18.487 -3.790 -10.111 1.00 61.51 H new ATOM 0 HZ1 LYS A 66 18.903 -1.489 -10.011 1.00 41.20 H new ATOM 0 HZ2 LYS A 66 17.488 -1.722 -9.102 1.00 41.20 H new ATOM 0 HZ3 LYS A 66 18.972 -1.474 -8.315 1.00 41.20 H new ATOM 1158 N ARG A 67 19.415 -7.209 -5.698 1.00 35.33 N ATOM 1159 CA ARG A 67 20.766 -7.766 -5.417 1.00 43.03 C ATOM 1160 C ARG A 67 21.886 -6.885 -6.049 1.00 3.33 C ATOM 1161 O ARG A 67 23.037 -6.917 -5.593 1.00 41.13 O ATOM 1162 CB ARG A 67 20.842 -9.222 -5.978 1.00 31.15 C ATOM 1163 CG ARG A 67 22.243 -9.898 -5.898 1.00 40.04 C ATOM 1164 CD ARG A 67 22.308 -11.273 -6.597 1.00 62.52 C ATOM 1165 NE ARG A 67 23.697 -11.750 -6.749 1.00 61.31 N ATOM 1166 CZ ARG A 67 24.074 -12.841 -7.384 1.00 4.24 C ATOM 1167 NH1 ARG A 67 23.215 -13.664 -7.891 1.00 60.45 N ATOM 1168 NH2 ARG A 67 25.333 -13.090 -7.512 1.00 74.21 N ATOM 0 H ARG A 67 19.009 -7.562 -6.564 1.00 35.33 H new ATOM 0 HA ARG A 67 20.925 -7.774 -4.339 1.00 43.03 H new ATOM 0 HB2 ARG A 67 20.128 -9.840 -5.434 1.00 31.15 H new ATOM 0 HB3 ARG A 67 20.523 -9.208 -7.020 1.00 31.15 H new ATOM 0 HG2 ARG A 67 22.983 -9.236 -6.348 1.00 40.04 H new ATOM 0 HG3 ARG A 67 22.519 -10.019 -4.851 1.00 40.04 H new ATOM 0 HD2 ARG A 67 21.736 -12.000 -6.021 1.00 62.52 H new ATOM 0 HD3 ARG A 67 21.839 -11.204 -7.578 1.00 62.52 H new ATOM 0 HE ARG A 67 24.431 -11.184 -6.324 1.00 61.31 H new ATOM 0 HH11 ARG A 67 22.216 -13.476 -7.805 1.00 60.45 H new ATOM 0 HH12 ARG A 67 23.536 -14.501 -8.377 1.00 60.45 H new ATOM 0 HH21 ARG A 67 26.022 -12.446 -7.124 1.00 74.21 H new ATOM 0 HH22 ARG A 67 25.639 -13.931 -8.001 1.00 74.21 H new ATOM 1182 N GLU A 68 21.495 -6.074 -7.066 1.00 22.32 N ATOM 1183 CA GLU A 68 22.400 -5.396 -8.054 1.00 33.34 C ATOM 1184 C GLU A 68 22.824 -6.371 -9.177 1.00 12.24 C ATOM 1185 O GLU A 68 23.026 -7.570 -8.946 1.00 74.35 O ATOM 1186 CB GLU A 68 23.663 -4.707 -7.445 1.00 63.21 C ATOM 1187 CG GLU A 68 23.376 -3.542 -6.486 1.00 13.10 C ATOM 1188 CD GLU A 68 24.666 -2.930 -5.911 1.00 13.01 C ATOM 1189 OE1 GLU A 68 25.242 -2.008 -6.542 1.00 3.24 O ATOM 1190 OE2 GLU A 68 25.119 -3.376 -4.840 1.00 4.44 O ATOM 0 H GLU A 68 20.511 -5.862 -7.233 1.00 22.32 H new ATOM 0 HA GLU A 68 21.794 -4.586 -8.460 1.00 33.34 H new ATOM 0 HB2 GLU A 68 24.246 -5.459 -6.913 1.00 63.21 H new ATOM 0 HB3 GLU A 68 24.285 -4.340 -8.261 1.00 63.21 H new ATOM 0 HG2 GLU A 68 22.813 -2.771 -7.012 1.00 13.10 H new ATOM 0 HG3 GLU A 68 22.747 -3.894 -5.668 1.00 13.10 H new ATOM 1197 N ARG A 69 22.964 -5.824 -10.393 1.00 52.42 N ATOM 1198 CA ARG A 69 23.301 -6.595 -11.608 1.00 32.31 C ATOM 1199 C ARG A 69 24.757 -6.343 -12.058 1.00 33.50 C ATOM 1200 O ARG A 69 25.430 -5.423 -11.576 1.00 40.14 O ATOM 1201 CB ARG A 69 22.344 -6.183 -12.758 1.00 1.44 C ATOM 1202 CG ARG A 69 20.850 -6.501 -12.537 1.00 51.24 C ATOM 1203 CD ARG A 69 19.965 -5.956 -13.681 1.00 55.42 C ATOM 1204 NE ARG A 69 20.301 -6.553 -14.996 1.00 24.15 N ATOM 1205 CZ ARG A 69 20.978 -5.965 -15.978 1.00 54.14 C ATOM 1206 NH1 ARG A 69 21.483 -4.775 -15.844 1.00 42.22 N ATOM 1207 NH2 ARG A 69 21.170 -6.598 -17.087 1.00 45.41 N ATOM 0 H ARG A 69 22.846 -4.826 -10.567 1.00 52.42 H new ATOM 0 HA ARG A 69 23.192 -7.654 -11.374 1.00 32.31 H new ATOM 0 HB2 ARG A 69 22.447 -5.111 -12.924 1.00 1.44 H new ATOM 0 HB3 ARG A 69 22.670 -6.680 -13.672 1.00 1.44 H new ATOM 0 HG2 ARG A 69 20.717 -7.580 -12.459 1.00 51.24 H new ATOM 0 HG3 ARG A 69 20.524 -6.070 -11.590 1.00 51.24 H new ATOM 0 HD2 ARG A 69 18.918 -6.156 -13.452 1.00 55.42 H new ATOM 0 HD3 ARG A 69 20.078 -4.873 -13.738 1.00 55.42 H new ATOM 0 HE ARG A 69 19.982 -7.507 -15.164 1.00 24.15 H new ATOM 0 HH11 ARG A 69 21.365 -4.267 -14.968 1.00 42.22 H new ATOM 0 HH12 ARG A 69 21.998 -4.350 -16.615 1.00 42.22 H new ATOM 0 HH21 ARG A 69 20.803 -7.542 -17.205 1.00 45.41 H new ATOM 0 HH22 ARG A 69 21.688 -6.154 -17.845 1.00 45.41 H new ATOM 1221 N PHE A 70 25.228 -7.187 -12.993 1.00 23.33 N ATOM 1222 CA PHE A 70 26.458 -6.930 -13.774 1.00 61.02 C ATOM 1223 C PHE A 70 26.159 -5.886 -14.881 1.00 73.45 C ATOM 1224 O PHE A 70 25.002 -5.725 -15.298 1.00 34.23 O ATOM 1225 CB PHE A 70 26.986 -8.242 -14.422 1.00 41.53 C ATOM 1226 CG PHE A 70 27.325 -9.357 -13.428 1.00 54.23 C ATOM 1227 CD1 PHE A 70 28.597 -9.452 -12.854 1.00 41.31 C ATOM 1228 CD2 PHE A 70 26.379 -10.323 -13.076 1.00 31.42 C ATOM 1229 CE1 PHE A 70 28.904 -10.469 -11.964 1.00 4.32 C ATOM 1230 CE2 PHE A 70 26.689 -11.337 -12.186 1.00 61.04 C ATOM 1231 CZ PHE A 70 27.953 -11.411 -11.632 1.00 0.20 C ATOM 0 H PHE A 70 24.769 -8.067 -13.231 1.00 23.33 H new ATOM 0 HA PHE A 70 27.224 -6.545 -13.100 1.00 61.02 H new ATOM 0 HB2 PHE A 70 26.236 -8.613 -15.121 1.00 41.53 H new ATOM 0 HB3 PHE A 70 27.878 -8.010 -15.004 1.00 41.53 H new ATOM 0 HD1 PHE A 70 29.351 -8.722 -13.108 1.00 41.31 H new ATOM 0 HD2 PHE A 70 25.389 -10.278 -13.506 1.00 31.42 H new ATOM 0 HE1 PHE A 70 29.891 -10.524 -11.529 1.00 4.32 H new ATOM 0 HE2 PHE A 70 25.942 -12.072 -11.924 1.00 61.04 H new ATOM 0 HZ PHE A 70 28.195 -12.205 -10.941 1.00 0.20 H new ATOM 1241 N GLY A 71 27.201 -5.178 -15.350 1.00 4.12 N ATOM 1242 CA GLY A 71 27.052 -4.201 -16.441 1.00 32.24 C ATOM 1243 C GLY A 71 27.144 -4.855 -17.828 1.00 45.32 C ATOM 1244 O GLY A 71 26.285 -5.674 -18.189 1.00 15.44 O ATOM 0 H GLY A 71 28.152 -5.264 -14.992 1.00 4.12 H new ATOM 0 HA2 GLY A 71 26.091 -3.695 -16.344 1.00 32.24 H new ATOM 0 HA3 GLY A 71 27.825 -3.438 -16.350 1.00 32.24 H new ATOM 1248 N GLN A 72 28.194 -4.496 -18.592 1.00 50.22 N ATOM 1249 CA GLN A 72 28.469 -5.054 -19.941 1.00 63.33 C ATOM 1250 C GLN A 72 29.908 -4.688 -20.366 1.00 64.40 C ATOM 1251 O GLN A 72 30.703 -5.561 -20.745 1.00 41.44 O ATOM 1252 CB GLN A 72 27.411 -4.553 -20.985 1.00 14.54 C ATOM 1253 CG GLN A 72 27.575 -5.086 -22.446 1.00 30.44 C ATOM 1254 CD GLN A 72 28.479 -4.232 -23.361 1.00 21.14 C ATOM 1255 OE1 GLN A 72 29.164 -4.747 -24.240 1.00 12.12 O ATOM 1256 NE2 GLN A 72 28.442 -2.919 -23.209 1.00 65.45 N ATOM 0 H GLN A 72 28.883 -3.806 -18.293 1.00 50.22 H new ATOM 0 HA GLN A 72 28.385 -6.140 -19.903 1.00 63.33 H new ATOM 0 HB2 GLN A 72 26.419 -4.832 -20.628 1.00 14.54 H new ATOM 0 HB3 GLN A 72 27.446 -3.464 -21.012 1.00 14.54 H new ATOM 0 HG2 GLN A 72 27.980 -6.097 -22.403 1.00 30.44 H new ATOM 0 HG3 GLN A 72 26.588 -5.157 -22.902 1.00 30.44 H new ATOM 0 HE21 GLN A 72 27.868 -2.507 -22.474 1.00 65.45 H new ATOM 0 HE22 GLN A 72 28.988 -2.318 -23.827 1.00 65.45 H new ATOM 1265 N MET A 73 30.232 -3.384 -20.295 1.00 13.02 N ATOM 1266 CA MET A 73 31.576 -2.864 -20.646 1.00 63.25 C ATOM 1267 C MET A 73 31.854 -1.533 -19.914 1.00 52.45 C ATOM 1268 O MET A 73 32.929 -1.354 -19.321 1.00 71.21 O ATOM 1269 CB MET A 73 31.705 -2.683 -22.182 1.00 61.44 C ATOM 1270 CG MET A 73 33.122 -2.354 -22.687 1.00 71.44 C ATOM 1271 SD MET A 73 33.212 -2.225 -24.493 1.00 50.04 S ATOM 1272 CE MET A 73 32.676 -3.858 -25.015 1.00 74.44 C ATOM 0 H MET A 73 29.578 -2.661 -19.995 1.00 13.02 H new ATOM 0 HA MET A 73 32.321 -3.591 -20.323 1.00 63.25 H new ATOM 0 HB2 MET A 73 31.366 -3.597 -22.669 1.00 61.44 H new ATOM 0 HB3 MET A 73 31.031 -1.886 -22.496 1.00 61.44 H new ATOM 0 HG2 MET A 73 33.452 -1.415 -22.243 1.00 71.44 H new ATOM 0 HG3 MET A 73 33.812 -3.126 -22.348 1.00 71.44 H new ATOM 0 HE1 MET A 73 33.027 -4.049 -26.029 1.00 74.44 H new ATOM 0 HE2 MET A 73 33.088 -4.609 -24.341 1.00 74.44 H new ATOM 0 HE3 MET A 73 31.587 -3.908 -24.992 1.00 74.44 H new ATOM 1282 N GLN A 74 30.857 -0.613 -19.961 1.00 31.55 N ATOM 1283 CA GLN A 74 30.947 0.748 -19.367 1.00 14.21 C ATOM 1284 C GLN A 74 32.169 1.523 -19.929 1.00 10.52 C ATOM 1285 O GLN A 74 33.099 1.890 -19.206 1.00 12.12 O ATOM 1286 CB GLN A 74 30.921 0.700 -17.801 1.00 22.25 C ATOM 1287 CG GLN A 74 29.516 0.502 -17.165 1.00 33.12 C ATOM 1288 CD GLN A 74 28.807 -0.807 -17.545 1.00 53.54 C ATOM 1289 OE1 GLN A 74 29.434 -1.837 -17.770 1.00 32.23 O ATOM 1290 NE2 GLN A 74 27.490 -0.783 -17.611 1.00 14.22 N ATOM 0 H GLN A 74 29.962 -0.795 -20.415 1.00 31.55 H new ATOM 0 HA GLN A 74 30.059 1.306 -19.665 1.00 14.21 H new ATOM 0 HB2 GLN A 74 31.570 -0.110 -17.468 1.00 22.25 H new ATOM 0 HB3 GLN A 74 31.347 1.627 -17.418 1.00 22.25 H new ATOM 0 HG2 GLN A 74 29.617 0.541 -16.080 1.00 33.12 H new ATOM 0 HG3 GLN A 74 28.881 1.339 -17.456 1.00 33.12 H new ATOM 0 HE21 GLN A 74 26.986 0.083 -17.421 1.00 14.22 H new ATOM 0 HE22 GLN A 74 26.976 -1.630 -17.852 1.00 14.22 H new ATOM 1299 N GLN A 75 32.142 1.710 -21.258 1.00 2.31 N ATOM 1300 CA GLN A 75 33.229 2.362 -22.029 1.00 25.14 C ATOM 1301 C GLN A 75 33.039 3.920 -22.099 1.00 71.43 C ATOM 1302 O GLN A 75 32.174 4.404 -22.864 1.00 37.18 O ATOM 1303 CB GLN A 75 33.336 1.699 -23.450 1.00 72.05 C ATOM 1304 CG GLN A 75 31.987 1.499 -24.191 1.00 33.34 C ATOM 1305 CD GLN A 75 32.098 0.895 -25.599 1.00 4.02 C ATOM 1306 OE1 GLN A 75 31.223 0.152 -26.039 1.00 24.31 O ATOM 1307 NE2 GLN A 75 33.139 1.236 -26.337 1.00 70.44 N ATOM 1308 OXT GLN A 75 33.770 4.652 -21.396 1.00 37.18 O ATOM 0 H GLN A 75 31.359 1.412 -21.840 1.00 2.31 H new ATOM 0 HA GLN A 75 34.176 2.205 -21.512 1.00 25.14 H new ATOM 0 HB2 GLN A 75 33.986 2.315 -24.072 1.00 72.05 H new ATOM 0 HB3 GLN A 75 33.821 0.729 -23.345 1.00 72.05 H new ATOM 0 HG2 GLN A 75 31.350 0.854 -23.585 1.00 33.34 H new ATOM 0 HG3 GLN A 75 31.485 2.464 -24.265 1.00 33.34 H new ATOM 0 HE21 GLN A 75 33.855 1.854 -25.954 1.00 70.44 H new ATOM 0 HE22 GLN A 75 33.227 0.882 -27.289 1.00 70.44 H new TER 1317 GLN A 75