USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 814 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 75 GLN : amide:sc= 1.1 K(o=1.9,f=-15!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 149:sc= 0.848 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ -173:sc= 0 (180deg=-0.0471) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -73:sc= 1.04 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.71 K(o=-0.71,f=-1.6) USER MOD Single : A 13 HIS : no HD1:sc= -0.0502 X(o=-0.05,f=-0.0065) USER MOD Single : A 14 ASN : amide:sc= -0.053 K(o=-0.053,f=-0.9) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 100:sc= -0.155 USER MOD Single : A 20 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.3) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.722 K(o=-0.72,f=-1.3) USER MOD Single : A 31 ASN : amide:sc= -1.2 K(o=-1.2,f=-3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0726) USER MOD Single : A 42 ASN : amide:sc= -3.81! C(o=-3.8!,f=-4.8!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.237) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0471) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= -0.775 (180deg=-2.19!) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.011) USER MOD Single : A 58 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.78) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0.206 K(o=0.21,f=-4.3!) USER MOD Single : A 66 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.15) USER MOD Single : A 67 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.2!) USER MOD Single : A 70 SER OG : rot 35:sc= 1.14 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -171:sc= 0 (180deg=-0.13) USER MOD Single : A 79 ASN : amide:sc= 0.235 X(o=0.24,f=-0.07) USER MOD Single : A 81 GLN : amide:sc=-0.00458 X(o=-0.0046,f=0) USER MOD Single : A 83 ASN : amide:sc= -1.42 K(o=-1.4,f=-4.9!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0564) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 97.309 30.139 -18.570 1.00 0.00 N ATOM 2 CA ARG A 1 96.233 30.780 -19.307 1.00 0.00 C ATOM 3 C ARG A 1 94.889 30.509 -18.628 1.00 0.00 C ATOM 4 O ARG A 1 94.102 31.429 -18.412 1.00 0.00 O ATOM 5 CB ARG A 1 96.177 30.276 -20.751 1.00 0.00 C ATOM 6 CG ARG A 1 96.570 31.382 -21.733 1.00 0.00 C ATOM 7 CD ARG A 1 97.555 30.859 -22.781 1.00 0.00 C ATOM 8 NE ARG A 1 97.012 31.078 -24.140 1.00 0.00 N ATOM 9 CZ ARG A 1 97.765 31.115 -25.259 1.00 0.00 C ATOM 10 NH1 ARG A 1 99.103 30.949 -25.191 1.00 0.00 N ATOM 11 NH2 ARG A 1 97.174 31.317 -26.422 1.00 0.00 N ATOM 0 H1 ARG A 1 98.224 30.427 -18.971 1.00 0.00 H new ATOM 0 H2 ARG A 1 97.263 30.424 -17.571 1.00 0.00 H new ATOM 0 H3 ARG A 1 97.210 29.106 -18.640 1.00 0.00 H new ATOM 0 HA ARG A 1 96.431 31.852 -19.315 1.00 0.00 H new ATOM 0 HB2 ARG A 1 96.847 29.425 -20.869 1.00 0.00 H new ATOM 0 HB3 ARG A 1 95.171 29.923 -20.978 1.00 0.00 H new ATOM 0 HG2 ARG A 1 95.679 31.768 -22.227 1.00 0.00 H new ATOM 0 HG3 ARG A 1 97.019 32.213 -21.190 1.00 0.00 H new ATOM 0 HD2 ARG A 1 98.513 31.368 -22.677 1.00 0.00 H new ATOM 0 HD3 ARG A 1 97.739 29.797 -22.621 1.00 0.00 H new ATOM 0 HE ARG A 1 96.005 31.209 -24.237 1.00 0.00 H new ATOM 0 HH11 ARG A 1 99.552 30.794 -24.289 1.00 0.00 H new ATOM 0 HH12 ARG A 1 99.664 30.978 -26.042 1.00 0.00 H new ATOM 0 HH21 ARG A 1 96.163 31.442 -26.465 1.00 0.00 H new ATOM 0 HH22 ARG A 1 97.729 31.348 -27.277 1.00 0.00 H new ATOM 24 N LYS A 2 94.669 29.242 -18.309 1.00 0.00 N ATOM 25 CA LYS A 2 93.434 28.838 -17.658 1.00 0.00 C ATOM 26 C LYS A 2 92.250 29.178 -18.565 1.00 0.00 C ATOM 27 O LYS A 2 92.312 30.128 -19.343 1.00 0.00 O ATOM 28 CB LYS A 2 93.337 29.457 -16.262 1.00 0.00 C ATOM 29 CG LYS A 2 93.036 28.389 -15.208 1.00 0.00 C ATOM 30 CD LYS A 2 94.299 28.017 -14.428 1.00 0.00 C ATOM 31 CE LYS A 2 94.718 26.575 -14.718 1.00 0.00 C ATOM 32 NZ LYS A 2 96.090 26.324 -14.224 1.00 0.00 N ATOM 0 H LYS A 2 95.325 28.482 -18.489 1.00 0.00 H new ATOM 0 HA LYS A 2 93.419 27.759 -17.505 1.00 0.00 H new ATOM 0 HB2 LYS A 2 94.272 29.961 -16.018 1.00 0.00 H new ATOM 0 HB3 LYS A 2 92.554 30.215 -16.250 1.00 0.00 H new ATOM 0 HG2 LYS A 2 92.274 28.756 -14.520 1.00 0.00 H new ATOM 0 HG3 LYS A 2 92.628 27.501 -15.691 1.00 0.00 H new ATOM 0 HD2 LYS A 2 95.109 28.696 -14.696 1.00 0.00 H new ATOM 0 HD3 LYS A 2 94.120 28.140 -13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 2 94.022 25.885 -14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 2 94.671 26.385 -15.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 96.358 25.340 -14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 96.753 26.970 -14.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 96.124 26.485 -13.197 1.00 0.00 H new ATOM 45 N LEU A 3 91.198 28.382 -18.435 1.00 0.00 N ATOM 46 CA LEU A 3 90.001 28.587 -19.233 1.00 0.00 C ATOM 47 C LEU A 3 88.928 27.585 -18.801 1.00 0.00 C ATOM 48 O LEU A 3 89.179 26.382 -18.755 1.00 0.00 O ATOM 49 CB LEU A 3 90.335 28.524 -20.725 1.00 0.00 C ATOM 50 CG LEU A 3 90.017 29.782 -21.536 1.00 0.00 C ATOM 51 CD1 LEU A 3 91.213 30.195 -22.398 1.00 0.00 C ATOM 52 CD2 LEU A 3 88.749 29.590 -22.370 1.00 0.00 C ATOM 0 H LEU A 3 91.150 27.594 -17.789 1.00 0.00 H new ATOM 0 HA LEU A 3 89.595 29.584 -19.062 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.398 28.306 -20.830 1.00 0.00 H new ATOM 0 HB3 LEU A 3 89.793 27.686 -21.164 1.00 0.00 H new ATOM 0 HG LEU A 3 89.824 30.598 -20.840 1.00 0.00 H new ATOM 0 HD11 LEU A 3 90.961 31.092 -22.964 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.070 30.400 -21.757 1.00 0.00 H new ATOM 0 HD13 LEU A 3 91.461 29.388 -23.088 1.00 0.00 H new ATOM 0 HD21 LEU A 3 88.545 30.498 -22.937 1.00 0.00 H new ATOM 0 HD22 LEU A 3 88.889 28.757 -23.058 1.00 0.00 H new ATOM 0 HD23 LEU A 3 87.908 29.378 -21.710 1.00 0.00 H new ATOM 64 N GLU A 4 87.755 28.120 -18.495 1.00 0.00 N ATOM 65 CA GLU A 4 86.642 27.288 -18.069 1.00 0.00 C ATOM 66 C GLU A 4 85.397 28.146 -17.834 1.00 0.00 C ATOM 67 O GLU A 4 85.505 29.323 -17.492 1.00 0.00 O ATOM 68 CB GLU A 4 87.003 26.491 -16.813 1.00 0.00 C ATOM 69 CG GLU A 4 87.308 27.425 -15.640 1.00 0.00 C ATOM 70 CD GLU A 4 87.870 26.645 -14.450 1.00 0.00 C ATOM 71 OE1 GLU A 4 89.085 26.679 -14.205 1.00 0.00 O ATOM 72 OE2 GLU A 4 86.995 25.986 -13.767 1.00 0.00 O ATOM 0 H GLU A 4 87.551 29.119 -18.534 1.00 0.00 H new ATOM 0 HA GLU A 4 86.423 26.574 -18.863 1.00 0.00 H new ATOM 0 HB2 GLU A 4 86.179 25.828 -16.550 1.00 0.00 H new ATOM 0 HB3 GLU A 4 87.869 25.860 -17.015 1.00 0.00 H new ATOM 0 HG2 GLU A 4 88.024 28.185 -15.952 1.00 0.00 H new ATOM 0 HG3 GLU A 4 86.399 27.947 -15.341 1.00 0.00 H new ATOM 80 N LEU A 5 84.244 27.524 -18.028 1.00 0.00 N ATOM 81 CA LEU A 5 82.980 28.216 -17.843 1.00 0.00 C ATOM 82 C LEU A 5 81.828 27.243 -18.102 1.00 0.00 C ATOM 83 O LEU A 5 81.746 26.644 -19.173 1.00 0.00 O ATOM 84 CB LEU A 5 82.927 29.476 -18.708 1.00 0.00 C ATOM 85 CG LEU A 5 82.424 30.745 -18.015 1.00 0.00 C ATOM 86 CD1 LEU A 5 81.048 30.517 -17.386 1.00 0.00 C ATOM 87 CD2 LEU A 5 83.444 31.254 -16.995 1.00 0.00 C ATOM 0 H LEU A 5 84.158 26.548 -18.312 1.00 0.00 H new ATOM 0 HA LEU A 5 82.882 28.560 -16.813 1.00 0.00 H new ATOM 0 HB2 LEU A 5 83.927 29.669 -19.095 1.00 0.00 H new ATOM 0 HB3 LEU A 5 82.286 29.276 -19.567 1.00 0.00 H new ATOM 0 HG LEU A 5 82.308 31.523 -18.769 1.00 0.00 H new ATOM 0 HD11 LEU A 5 80.714 31.434 -16.900 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.335 30.237 -18.162 1.00 0.00 H new ATOM 0 HD13 LEU A 5 81.113 29.718 -16.647 1.00 0.00 H new ATOM 0 HD21 LEU A 5 83.062 32.156 -16.517 1.00 0.00 H new ATOM 0 HD22 LEU A 5 83.616 30.488 -16.239 1.00 0.00 H new ATOM 0 HD23 LEU A 5 84.382 31.481 -17.501 1.00 0.00 H new ATOM 99 N THR A 6 80.966 27.116 -17.103 1.00 0.00 N ATOM 100 CA THR A 6 79.823 26.226 -17.210 1.00 0.00 C ATOM 101 C THR A 6 78.609 26.830 -16.500 1.00 0.00 C ATOM 102 O THR A 6 78.309 26.472 -15.363 1.00 0.00 O ATOM 103 CB THR A 6 80.233 24.860 -16.656 1.00 0.00 C ATOM 104 OG1 THR A 6 79.002 24.262 -16.260 1.00 0.00 O ATOM 105 CG2 THR A 6 81.029 24.971 -15.354 1.00 0.00 C ATOM 0 H THR A 6 81.037 27.615 -16.216 1.00 0.00 H new ATOM 0 HA THR A 6 79.521 26.094 -18.249 1.00 0.00 H new ATOM 0 HB THR A 6 80.827 24.330 -17.401 1.00 0.00 H new ATOM 0 HG1 THR A 6 78.675 24.696 -15.445 1.00 0.00 H new ATOM 0 HG21 THR A 6 81.295 23.974 -15.004 1.00 0.00 H new ATOM 0 HG22 THR A 6 81.937 25.548 -15.531 1.00 0.00 H new ATOM 0 HG23 THR A 6 80.423 25.471 -14.599 1.00 0.00 H new ATOM 113 N LYS A 7 77.944 27.736 -17.202 1.00 0.00 N ATOM 114 CA LYS A 7 76.770 28.393 -16.654 1.00 0.00 C ATOM 115 C LYS A 7 75.679 27.350 -16.400 1.00 0.00 C ATOM 116 O LYS A 7 75.896 26.157 -16.605 1.00 0.00 O ATOM 117 CB LYS A 7 76.324 29.541 -17.562 1.00 0.00 C ATOM 118 CG LYS A 7 76.026 29.037 -18.976 1.00 0.00 C ATOM 119 CD LYS A 7 75.648 30.195 -19.902 1.00 0.00 C ATOM 120 CE LYS A 7 74.129 30.338 -20.007 1.00 0.00 C ATOM 121 NZ LYS A 7 73.774 31.388 -20.988 1.00 0.00 N ATOM 0 H LYS A 7 78.196 28.030 -18.145 1.00 0.00 H new ATOM 0 HA LYS A 7 77.004 28.851 -15.693 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.435 30.014 -17.146 1.00 0.00 H new ATOM 0 HB3 LYS A 7 77.102 30.303 -17.600 1.00 0.00 H new ATOM 0 HG2 LYS A 7 76.899 28.519 -19.373 1.00 0.00 H new ATOM 0 HG3 LYS A 7 75.213 28.312 -18.944 1.00 0.00 H new ATOM 0 HD2 LYS A 7 76.079 31.122 -19.525 1.00 0.00 H new ATOM 0 HD3 LYS A 7 76.071 30.026 -20.893 1.00 0.00 H new ATOM 0 HE2 LYS A 7 73.688 29.387 -20.307 1.00 0.00 H new ATOM 0 HE3 LYS A 7 73.713 30.588 -19.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 72.739 31.472 -21.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.179 32.297 -20.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.155 31.134 -21.922 1.00 0.00 H new ATOM 134 N ALA A 8 74.529 27.839 -15.959 1.00 0.00 N ATOM 135 CA ALA A 8 73.404 26.964 -15.676 1.00 0.00 C ATOM 136 C ALA A 8 72.867 26.389 -16.988 1.00 0.00 C ATOM 137 O ALA A 8 71.998 26.986 -17.622 1.00 0.00 O ATOM 138 CB ALA A 8 72.337 27.739 -14.900 1.00 0.00 C ATOM 0 H ALA A 8 74.352 28.829 -15.791 1.00 0.00 H new ATOM 0 HA ALA A 8 73.717 26.126 -15.053 1.00 0.00 H new ATOM 0 HB1 ALA A 8 71.493 27.083 -14.688 1.00 0.00 H new ATOM 0 HB2 ALA A 8 72.760 28.101 -13.963 1.00 0.00 H new ATOM 0 HB3 ALA A 8 71.997 28.586 -15.496 1.00 0.00 H new ATOM 144 N GLU A 9 73.407 25.237 -17.357 1.00 0.00 N ATOM 145 CA GLU A 9 72.994 24.575 -18.583 1.00 0.00 C ATOM 146 C GLU A 9 71.531 24.137 -18.482 1.00 0.00 C ATOM 147 O GLU A 9 71.245 22.996 -18.121 1.00 0.00 O ATOM 148 CB GLU A 9 73.903 23.385 -18.897 1.00 0.00 C ATOM 149 CG GLU A 9 73.877 22.361 -17.761 1.00 0.00 C ATOM 150 CD GLU A 9 75.266 22.193 -17.142 1.00 0.00 C ATOM 151 OE1 GLU A 9 76.246 21.971 -17.869 1.00 0.00 O ATOM 152 OE2 GLU A 9 75.308 22.302 -15.857 1.00 0.00 O ATOM 0 H GLU A 9 74.127 24.745 -16.828 1.00 0.00 H new ATOM 0 HA GLU A 9 73.085 25.285 -19.405 1.00 0.00 H new ATOM 0 HB2 GLU A 9 73.582 22.912 -19.825 1.00 0.00 H new ATOM 0 HB3 GLU A 9 74.924 23.734 -19.054 1.00 0.00 H new ATOM 0 HG2 GLU A 9 73.170 22.680 -16.995 1.00 0.00 H new ATOM 0 HG3 GLU A 9 73.525 21.401 -18.140 1.00 0.00 H new ATOM 160 N LYS A 10 70.644 25.066 -18.806 1.00 0.00 N ATOM 161 CA LYS A 10 69.219 24.789 -18.757 1.00 0.00 C ATOM 162 C LYS A 10 68.939 23.776 -17.645 1.00 0.00 C ATOM 163 O LYS A 10 68.439 22.684 -17.907 1.00 0.00 O ATOM 164 CB LYS A 10 68.710 24.350 -20.131 1.00 0.00 C ATOM 165 CG LYS A 10 69.543 24.977 -21.250 1.00 0.00 C ATOM 166 CD LYS A 10 69.086 24.475 -22.622 1.00 0.00 C ATOM 167 CE LYS A 10 67.560 24.398 -22.696 1.00 0.00 C ATOM 168 NZ LYS A 10 67.124 24.095 -24.078 1.00 0.00 N ATOM 0 H LYS A 10 70.885 26.011 -19.104 1.00 0.00 H new ATOM 0 HA LYS A 10 68.664 25.694 -18.512 1.00 0.00 H new ATOM 0 HB2 LYS A 10 68.751 23.263 -20.208 1.00 0.00 H new ATOM 0 HB3 LYS A 10 67.665 24.639 -20.245 1.00 0.00 H new ATOM 0 HG2 LYS A 10 69.456 26.063 -21.209 1.00 0.00 H new ATOM 0 HG3 LYS A 10 70.596 24.736 -21.103 1.00 0.00 H new ATOM 0 HD2 LYS A 10 69.458 25.142 -23.400 1.00 0.00 H new ATOM 0 HD3 LYS A 10 69.513 23.491 -22.814 1.00 0.00 H new ATOM 0 HE2 LYS A 10 67.195 23.628 -22.016 1.00 0.00 H new ATOM 0 HE3 LYS A 10 67.126 25.343 -22.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 66.086 24.046 -24.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 67.456 24.844 -24.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 67.523 23.182 -24.376 1.00 0.00 H new ATOM 181 N HIS A 11 69.273 24.176 -16.426 1.00 0.00 N ATOM 182 CA HIS A 11 69.064 23.317 -15.273 1.00 0.00 C ATOM 183 C HIS A 11 67.564 23.151 -15.023 1.00 0.00 C ATOM 184 O HIS A 11 66.862 24.128 -14.765 1.00 0.00 O ATOM 185 CB HIS A 11 69.813 23.854 -14.052 1.00 0.00 C ATOM 186 CG HIS A 11 69.022 24.845 -13.233 1.00 0.00 C ATOM 187 ND1 HIS A 11 68.526 26.025 -13.758 1.00 0.00 N ATOM 188 CD2 HIS A 11 68.645 24.818 -11.922 1.00 0.00 C ATOM 189 CE1 HIS A 11 67.882 26.673 -12.798 1.00 0.00 C ATOM 190 NE2 HIS A 11 67.958 25.923 -11.661 1.00 0.00 N ATOM 0 H HIS A 11 69.687 25.083 -16.212 1.00 0.00 H new ATOM 0 HA HIS A 11 69.476 22.328 -15.472 1.00 0.00 H new ATOM 0 HB2 HIS A 11 70.096 23.016 -13.415 1.00 0.00 H new ATOM 0 HB3 HIS A 11 70.736 24.328 -14.385 1.00 0.00 H new ATOM 0 HD2 HIS A 11 68.868 24.031 -11.217 1.00 0.00 H new ATOM 0 HE1 HIS A 11 67.385 27.626 -12.898 1.00 0.00 H new ATOM 0 HE2 HIS A 11 67.553 26.171 -10.758 1.00 0.00 H new ATOM 198 N VAL A 12 67.116 21.907 -15.107 1.00 0.00 N ATOM 199 CA VAL A 12 65.712 21.600 -14.892 1.00 0.00 C ATOM 200 C VAL A 12 65.502 20.088 -14.999 1.00 0.00 C ATOM 201 O VAL A 12 65.943 19.463 -15.963 1.00 0.00 O ATOM 202 CB VAL A 12 64.847 22.395 -15.873 1.00 0.00 C ATOM 203 CG1 VAL A 12 65.329 22.198 -17.312 1.00 0.00 C ATOM 204 CG2 VAL A 12 63.371 22.017 -15.732 1.00 0.00 C ATOM 0 H VAL A 12 67.701 21.099 -15.321 1.00 0.00 H new ATOM 0 HA VAL A 12 65.404 21.900 -13.890 1.00 0.00 H new ATOM 0 HB VAL A 12 64.947 23.452 -15.628 1.00 0.00 H new ATOM 0 HG11 VAL A 12 64.698 22.773 -17.989 1.00 0.00 H new ATOM 0 HG12 VAL A 12 66.361 22.539 -17.400 1.00 0.00 H new ATOM 0 HG13 VAL A 12 65.272 21.141 -17.573 1.00 0.00 H new ATOM 0 HG21 VAL A 12 62.778 22.596 -16.440 1.00 0.00 H new ATOM 0 HG22 VAL A 12 63.246 20.954 -15.938 1.00 0.00 H new ATOM 0 HG23 VAL A 12 63.036 22.232 -14.717 1.00 0.00 H new ATOM 214 N HIS A 13 64.829 19.544 -13.996 1.00 0.00 N ATOM 215 CA HIS A 13 64.555 18.117 -13.966 1.00 0.00 C ATOM 216 C HIS A 13 63.316 17.851 -13.109 1.00 0.00 C ATOM 217 O HIS A 13 62.615 18.783 -12.718 1.00 0.00 O ATOM 218 CB HIS A 13 65.784 17.339 -13.491 1.00 0.00 C ATOM 219 CG HIS A 13 66.630 16.785 -14.612 1.00 0.00 C ATOM 220 ND1 HIS A 13 66.279 15.655 -15.329 1.00 0.00 N ATOM 221 CD2 HIS A 13 67.815 17.217 -15.131 1.00 0.00 C ATOM 222 CE1 HIS A 13 67.217 15.426 -16.236 1.00 0.00 C ATOM 223 NE2 HIS A 13 68.169 16.395 -16.111 1.00 0.00 N ATOM 0 H HIS A 13 64.465 20.065 -13.198 1.00 0.00 H new ATOM 0 HA HIS A 13 64.339 17.762 -14.974 1.00 0.00 H new ATOM 0 HB2 HIS A 13 66.400 17.994 -12.874 1.00 0.00 H new ATOM 0 HB3 HIS A 13 65.457 16.516 -12.855 1.00 0.00 H new ATOM 0 HD2 HIS A 13 68.371 18.082 -14.800 1.00 0.00 H new ATOM 0 HE1 HIS A 13 67.226 14.615 -16.949 1.00 0.00 H new ATOM 0 HE2 HIS A 13 69.014 16.475 -16.677 1.00 0.00 H new ATOM 231 N ASN A 14 63.085 16.574 -12.841 1.00 0.00 N ATOM 232 CA ASN A 14 61.943 16.173 -12.037 1.00 0.00 C ATOM 233 C ASN A 14 62.007 16.877 -10.680 1.00 0.00 C ATOM 234 O ASN A 14 62.733 16.445 -9.786 1.00 0.00 O ATOM 235 CB ASN A 14 61.949 14.663 -11.786 1.00 0.00 C ATOM 236 CG ASN A 14 60.523 14.120 -11.679 1.00 0.00 C ATOM 237 OD1 ASN A 14 59.566 14.850 -11.483 1.00 0.00 O ATOM 238 ND2 ASN A 14 60.435 12.800 -11.819 1.00 0.00 N ATOM 0 H ASN A 14 63.669 15.804 -13.166 1.00 0.00 H new ATOM 0 HA ASN A 14 61.037 16.446 -12.579 1.00 0.00 H new ATOM 0 HB2 ASN A 14 62.474 14.158 -12.597 1.00 0.00 H new ATOM 0 HB3 ASN A 14 62.495 14.445 -10.868 1.00 0.00 H new ATOM 0 HD21 ASN A 14 59.526 12.341 -11.764 1.00 0.00 H new ATOM 0 HD22 ASN A 14 61.277 12.247 -11.981 1.00 0.00 H new ATOM 245 N PHE A 15 61.238 17.951 -10.570 1.00 0.00 N ATOM 246 CA PHE A 15 61.198 18.719 -9.338 1.00 0.00 C ATOM 247 C PHE A 15 60.319 18.032 -8.291 1.00 0.00 C ATOM 248 O PHE A 15 59.670 17.028 -8.582 1.00 0.00 O ATOM 249 CB PHE A 15 60.593 20.082 -9.680 1.00 0.00 C ATOM 250 CG PHE A 15 61.605 21.095 -10.218 1.00 0.00 C ATOM 251 CD1 PHE A 15 62.549 21.619 -9.390 1.00 0.00 C ATOM 252 CD2 PHE A 15 61.562 21.472 -11.524 1.00 0.00 C ATOM 253 CE1 PHE A 15 63.489 22.559 -9.890 1.00 0.00 C ATOM 254 CE2 PHE A 15 62.501 22.412 -12.023 1.00 0.00 C ATOM 255 CZ PHE A 15 63.445 22.936 -11.196 1.00 0.00 C ATOM 0 H PHE A 15 60.638 18.307 -11.314 1.00 0.00 H new ATOM 0 HA PHE A 15 62.202 18.812 -8.925 1.00 0.00 H new ATOM 0 HB2 PHE A 15 59.805 19.943 -10.420 1.00 0.00 H new ATOM 0 HB3 PHE A 15 60.122 20.493 -8.787 1.00 0.00 H new ATOM 0 HD1 PHE A 15 62.584 21.320 -8.353 1.00 0.00 H new ATOM 0 HD2 PHE A 15 60.813 21.056 -12.182 1.00 0.00 H new ATOM 0 HE1 PHE A 15 64.239 22.974 -9.233 1.00 0.00 H new ATOM 0 HE2 PHE A 15 62.466 22.711 -13.060 1.00 0.00 H new ATOM 0 HZ PHE A 15 64.159 23.651 -11.576 1.00 0.00 H new ATOM 265 N MET A 16 60.325 18.600 -7.094 1.00 0.00 N ATOM 266 CA MET A 16 59.536 18.055 -6.003 1.00 0.00 C ATOM 267 C MET A 16 58.079 18.513 -6.097 1.00 0.00 C ATOM 268 O MET A 16 57.523 19.028 -5.129 1.00 0.00 O ATOM 269 CB MET A 16 60.129 18.509 -4.667 1.00 0.00 C ATOM 270 CG MET A 16 60.233 20.034 -4.604 1.00 0.00 C ATOM 271 SD MET A 16 60.385 20.567 -2.907 1.00 0.00 S ATOM 272 CE MET A 16 61.589 21.871 -3.098 1.00 0.00 C ATOM 0 H MET A 16 60.864 19.433 -6.856 1.00 0.00 H new ATOM 0 HA MET A 16 59.560 16.967 -6.071 1.00 0.00 H new ATOM 0 HB2 MET A 16 59.507 18.149 -3.848 1.00 0.00 H new ATOM 0 HB3 MET A 16 61.117 18.068 -4.535 1.00 0.00 H new ATOM 0 HG2 MET A 16 61.096 20.372 -5.178 1.00 0.00 H new ATOM 0 HG3 MET A 16 59.351 20.486 -5.058 1.00 0.00 H new ATOM 0 HE1 MET A 16 61.801 22.316 -2.126 1.00 0.00 H new ATOM 0 HE2 MET A 16 62.507 21.460 -3.517 1.00 0.00 H new ATOM 0 HE3 MET A 16 61.195 22.635 -3.768 1.00 0.00 H new ATOM 282 N MET A 17 57.503 18.309 -7.273 1.00 0.00 N ATOM 283 CA MET A 17 56.122 18.695 -7.506 1.00 0.00 C ATOM 284 C MET A 17 55.211 18.170 -6.395 1.00 0.00 C ATOM 285 O MET A 17 54.289 18.862 -5.965 1.00 0.00 O ATOM 286 CB MET A 17 55.657 18.137 -8.853 1.00 0.00 C ATOM 287 CG MET A 17 55.959 19.120 -9.987 1.00 0.00 C ATOM 288 SD MET A 17 54.536 20.154 -10.294 1.00 0.00 S ATOM 289 CE MET A 17 54.731 20.437 -12.045 1.00 0.00 C ATOM 0 H MET A 17 57.968 17.882 -8.074 1.00 0.00 H new ATOM 0 HA MET A 17 56.065 19.783 -7.513 1.00 0.00 H new ATOM 0 HB2 MET A 17 56.154 17.187 -9.048 1.00 0.00 H new ATOM 0 HB3 MET A 17 54.586 17.935 -8.817 1.00 0.00 H new ATOM 0 HG2 MET A 17 56.818 19.738 -9.725 1.00 0.00 H new ATOM 0 HG3 MET A 17 56.224 18.574 -10.892 1.00 0.00 H new ATOM 0 HE1 MET A 17 53.920 21.070 -12.404 1.00 0.00 H new ATOM 0 HE2 MET A 17 55.685 20.930 -12.230 1.00 0.00 H new ATOM 0 HE3 MET A 17 54.708 19.483 -12.573 1.00 0.00 H new ATOM 299 N ASP A 18 55.500 16.952 -5.962 1.00 0.00 N ATOM 300 CA ASP A 18 54.718 16.327 -4.908 1.00 0.00 C ATOM 301 C ASP A 18 55.599 16.133 -3.672 1.00 0.00 C ATOM 302 O ASP A 18 56.057 15.024 -3.399 1.00 0.00 O ATOM 303 CB ASP A 18 54.206 14.952 -5.344 1.00 0.00 C ATOM 304 CG ASP A 18 53.531 14.919 -6.716 1.00 0.00 C ATOM 305 OD1 ASP A 18 52.592 15.684 -6.985 1.00 0.00 O ATOM 306 OD2 ASP A 18 54.011 14.051 -7.540 1.00 0.00 O ATOM 0 H ASP A 18 56.265 16.381 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 18 53.870 16.975 -4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 18 55.044 14.255 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 18 53.497 14.592 -4.598 1.00 0.00 H new ATOM 312 N THR A 19 55.809 17.229 -2.957 1.00 0.00 N ATOM 313 CA THR A 19 56.627 17.193 -1.757 1.00 0.00 C ATOM 314 C THR A 19 56.088 16.150 -0.775 1.00 0.00 C ATOM 315 O THR A 19 56.805 15.230 -0.386 1.00 0.00 O ATOM 316 CB THR A 19 56.673 18.608 -1.175 1.00 0.00 C ATOM 317 OG1 THR A 19 55.303 18.961 -1.011 1.00 0.00 O ATOM 318 CG2 THR A 19 57.206 19.635 -2.176 1.00 0.00 C ATOM 0 H THR A 19 55.427 18.147 -3.186 1.00 0.00 H new ATOM 0 HA THR A 19 57.648 16.884 -1.983 1.00 0.00 H new ATOM 0 HB THR A 19 57.298 18.613 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 19 55.043 18.837 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 19 57.218 20.622 -1.713 1.00 0.00 H new ATOM 0 HG22 THR A 19 58.218 19.361 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 19 56.562 19.654 -3.055 1.00 0.00 H new ATOM 326 N GLN A 20 54.829 16.329 -0.404 1.00 0.00 N ATOM 327 CA GLN A 20 54.186 15.415 0.525 1.00 0.00 C ATOM 328 C GLN A 20 52.719 15.802 0.721 1.00 0.00 C ATOM 329 O GLN A 20 52.356 16.373 1.749 1.00 0.00 O ATOM 330 CB GLN A 20 54.927 15.380 1.863 1.00 0.00 C ATOM 331 CG GLN A 20 54.798 14.008 2.526 1.00 0.00 C ATOM 332 CD GLN A 20 55.331 14.039 3.960 1.00 0.00 C ATOM 333 OE1 GLN A 20 55.517 15.086 4.557 1.00 0.00 O ATOM 334 NE2 GLN A 20 55.564 12.836 4.477 1.00 0.00 N ATOM 0 H GLN A 20 54.237 17.093 -0.730 1.00 0.00 H new ATOM 0 HA GLN A 20 54.224 14.412 0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 20 55.980 15.614 1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 20 54.525 16.147 2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 20 53.753 13.699 2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 20 55.348 13.267 1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 20 55.386 11.999 3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 20 55.920 12.750 5.429 1.00 0.00 H new ATOM 343 N LEU A 21 51.915 15.477 -0.281 1.00 0.00 N ATOM 344 CA LEU A 21 50.495 15.784 -0.231 1.00 0.00 C ATOM 345 C LEU A 21 49.800 14.809 0.721 1.00 0.00 C ATOM 346 O LEU A 21 48.885 14.091 0.321 1.00 0.00 O ATOM 347 CB LEU A 21 49.901 15.796 -1.641 1.00 0.00 C ATOM 348 CG LEU A 21 49.981 14.479 -2.414 1.00 0.00 C ATOM 349 CD1 LEU A 21 48.721 14.259 -3.255 1.00 0.00 C ATOM 350 CD2 LEU A 21 51.253 14.417 -3.261 1.00 0.00 C ATOM 0 H LEU A 21 52.220 15.004 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 21 50.335 16.786 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 21 48.854 16.089 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 21 50.409 16.566 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 21 50.034 13.663 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 21 48.804 13.316 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 21 47.849 14.228 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 21 48.612 15.076 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 21 51.285 13.470 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 21 51.256 15.241 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 21 52.126 14.495 -2.613 1.00 0.00 H new ATOM 362 N THR A 22 50.261 14.815 1.964 1.00 0.00 N ATOM 363 CA THR A 22 49.695 13.941 2.976 1.00 0.00 C ATOM 364 C THR A 22 49.352 12.577 2.372 1.00 0.00 C ATOM 365 O THR A 22 48.243 12.374 1.880 1.00 0.00 O ATOM 366 CB THR A 22 48.490 14.652 3.595 1.00 0.00 C ATOM 367 OG1 THR A 22 48.862 16.027 3.600 1.00 0.00 O ATOM 368 CG2 THR A 22 48.305 14.310 5.075 1.00 0.00 C ATOM 0 H THR A 22 51.020 15.412 2.292 1.00 0.00 H new ATOM 0 HA THR A 22 50.414 13.738 3.770 1.00 0.00 H new ATOM 0 HB THR A 22 47.588 14.383 3.045 1.00 0.00 H new ATOM 0 HG1 THR A 22 48.136 16.561 3.984 1.00 0.00 H new ATOM 0 HG21 THR A 22 47.437 14.841 5.465 1.00 0.00 H new ATOM 0 HG22 THR A 22 48.153 13.236 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 22 49.193 14.609 5.631 1.00 0.00 H new ATOM 376 N LYS A 23 50.324 11.679 2.429 1.00 0.00 N ATOM 377 CA LYS A 23 50.139 10.341 1.894 1.00 0.00 C ATOM 378 C LYS A 23 49.386 10.428 0.565 1.00 0.00 C ATOM 379 O LYS A 23 49.342 11.487 -0.060 1.00 0.00 O ATOM 380 CB LYS A 23 49.461 9.440 2.927 1.00 0.00 C ATOM 381 CG LYS A 23 47.992 9.827 3.113 1.00 0.00 C ATOM 382 CD LYS A 23 47.824 10.792 4.288 1.00 0.00 C ATOM 383 CE LYS A 23 46.677 10.351 5.200 1.00 0.00 C ATOM 384 NZ LYS A 23 45.986 11.530 5.769 1.00 0.00 N ATOM 0 H LYS A 23 51.242 11.852 2.838 1.00 0.00 H new ATOM 0 HA LYS A 23 51.103 9.877 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 23 49.529 8.400 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 23 49.984 9.516 3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 23 47.616 10.290 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 23 47.395 8.931 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 23 48.751 10.839 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 23 47.630 11.797 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 23 45.969 9.744 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 23 47.064 9.725 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 45.210 11.214 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 46.661 12.094 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 45.600 12.112 4.998 1.00 0.00 H new ATOM 397 N ARG A 24 48.813 9.300 0.171 1.00 0.00 N ATOM 398 CA ARG A 24 48.064 9.236 -1.072 1.00 0.00 C ATOM 399 C ARG A 24 46.729 8.521 -0.852 1.00 0.00 C ATOM 400 O ARG A 24 46.568 7.787 0.121 1.00 0.00 O ATOM 401 CB ARG A 24 48.856 8.498 -2.154 1.00 0.00 C ATOM 402 CG ARG A 24 49.757 9.463 -2.928 1.00 0.00 C ATOM 403 CD ARG A 24 50.629 8.711 -3.934 1.00 0.00 C ATOM 404 NE ARG A 24 50.894 9.566 -5.113 1.00 0.00 N ATOM 405 CZ ARG A 24 51.700 9.214 -6.138 1.00 0.00 C ATOM 406 NH1 ARG A 24 52.328 8.019 -6.136 1.00 0.00 N ATOM 407 NH2 ARG A 24 51.864 10.057 -7.141 1.00 0.00 N ATOM 0 H ARG A 24 48.853 8.423 0.691 1.00 0.00 H new ATOM 0 HA ARG A 24 47.882 10.259 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 24 49.462 7.716 -1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 24 48.168 8.006 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 24 49.145 10.198 -3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 24 50.390 10.013 -2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 24 51.570 8.420 -3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 24 50.131 7.793 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 24 50.439 10.478 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 24 52.195 7.374 -5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 24 52.935 7.761 -6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 24 51.386 10.958 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 24 52.469 9.807 -7.923 1.00 0.00 H new ATOM 420 N VAL A 25 45.806 8.763 -1.771 1.00 0.00 N ATOM 421 CA VAL A 25 44.490 8.152 -1.689 1.00 0.00 C ATOM 422 C VAL A 25 44.020 8.158 -0.233 1.00 0.00 C ATOM 423 O VAL A 25 43.536 7.146 0.271 1.00 0.00 O ATOM 424 CB VAL A 25 44.525 6.750 -2.300 1.00 0.00 C ATOM 425 CG1 VAL A 25 43.150 6.083 -2.222 1.00 0.00 C ATOM 426 CG2 VAL A 25 45.032 6.793 -3.744 1.00 0.00 C ATOM 0 H VAL A 25 45.943 9.374 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 25 43.766 8.726 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 25 45.223 6.149 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 25 43.203 5.088 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 25 42.844 6.002 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 25 42.423 6.684 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 25 45.047 5.783 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 25 44.371 7.419 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 25 46.040 7.208 -3.764 1.00 0.00 H new ATOM 436 N LYS A 26 44.179 9.310 0.402 1.00 0.00 N ATOM 437 CA LYS A 26 43.777 9.461 1.790 1.00 0.00 C ATOM 438 C LYS A 26 44.195 8.216 2.576 1.00 0.00 C ATOM 439 O LYS A 26 43.375 7.605 3.259 1.00 0.00 O ATOM 440 CB LYS A 26 42.282 9.774 1.884 1.00 0.00 C ATOM 441 CG LYS A 26 41.938 10.409 3.233 1.00 0.00 C ATOM 442 CD LYS A 26 42.802 11.644 3.494 1.00 0.00 C ATOM 443 CE LYS A 26 41.989 12.750 4.169 1.00 0.00 C ATOM 444 NZ LYS A 26 41.688 13.833 3.206 1.00 0.00 N ATOM 0 H LYS A 26 44.581 10.148 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 26 44.286 10.311 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 26 41.997 10.449 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 26 41.706 8.858 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 26 40.884 10.688 3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 26 42.088 9.681 4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 26 43.648 11.373 4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 26 43.211 12.011 2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 26 41.060 12.338 4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 26 42.544 13.152 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 41.136 14.576 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 42.577 14.237 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 41.139 13.448 2.411 1.00 0.00 H new ATOM 457 N ASN A 27 45.470 7.878 2.452 1.00 0.00 N ATOM 458 CA ASN A 27 46.007 6.718 3.143 1.00 0.00 C ATOM 459 C ASN A 27 45.222 5.473 2.724 1.00 0.00 C ATOM 460 O ASN A 27 44.854 4.655 3.565 1.00 0.00 O ATOM 461 CB ASN A 27 45.877 6.870 4.659 1.00 0.00 C ATOM 462 CG ASN A 27 46.541 5.700 5.387 1.00 0.00 C ATOM 463 OD1 ASN A 27 47.543 5.154 4.954 1.00 0.00 O ATOM 464 ND2 ASN A 27 45.930 5.346 6.514 1.00 0.00 N ATOM 0 H ASN A 27 46.147 8.387 1.883 1.00 0.00 H new ATOM 0 HA ASN A 27 47.061 6.626 2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 27 46.336 7.807 4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 27 44.823 6.923 4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 27 46.297 4.575 7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 27 45.095 5.845 6.820 1.00 0.00 H new ATOM 471 N ALA A 28 44.990 5.368 1.423 1.00 0.00 N ATOM 472 CA ALA A 28 44.257 4.237 0.882 1.00 0.00 C ATOM 473 C ALA A 28 42.761 4.435 1.138 1.00 0.00 C ATOM 474 O ALA A 28 41.942 3.621 0.715 1.00 0.00 O ATOM 475 CB ALA A 28 44.787 2.942 1.500 1.00 0.00 C ATOM 0 H ALA A 28 45.297 6.049 0.728 1.00 0.00 H new ATOM 0 HA ALA A 28 44.401 4.167 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 28 44.237 2.093 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.846 2.834 1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.656 2.975 2.582 1.00 0.00 H new ATOM 481 N ALA A 29 42.451 5.521 1.830 1.00 0.00 N ATOM 482 CA ALA A 29 41.068 5.837 2.147 1.00 0.00 C ATOM 483 C ALA A 29 40.655 5.082 3.413 1.00 0.00 C ATOM 484 O ALA A 29 39.538 4.576 3.501 1.00 0.00 O ATOM 485 CB ALA A 29 40.179 5.497 0.950 1.00 0.00 C ATOM 0 H ALA A 29 43.133 6.193 2.180 1.00 0.00 H new ATOM 0 HA ALA A 29 40.953 6.903 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 29 39.142 5.734 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 29 40.495 6.080 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 29 40.265 4.434 0.723 1.00 0.00 H new ATOM 491 N ALA A 30 41.579 5.031 4.361 1.00 0.00 N ATOM 492 CA ALA A 30 41.325 4.347 5.618 1.00 0.00 C ATOM 493 C ALA A 30 40.032 4.884 6.233 1.00 0.00 C ATOM 494 O ALA A 30 40.023 5.960 6.829 1.00 0.00 O ATOM 495 CB ALA A 30 42.529 4.521 6.546 1.00 0.00 C ATOM 0 H ALA A 30 42.505 5.452 4.284 1.00 0.00 H new ATOM 0 HA ALA A 30 41.192 3.278 5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.339 4.008 7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 30 43.416 4.097 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.691 5.582 6.736 1.00 0.00 H new ATOM 501 N ASN A 31 38.969 4.110 6.068 1.00 0.00 N ATOM 502 CA ASN A 31 37.673 4.494 6.600 1.00 0.00 C ATOM 503 C ASN A 31 37.222 5.799 5.939 1.00 0.00 C ATOM 504 O ASN A 31 36.281 6.441 6.404 1.00 0.00 O ATOM 505 CB ASN A 31 37.745 4.729 8.110 1.00 0.00 C ATOM 506 CG ASN A 31 37.264 3.498 8.880 1.00 0.00 C ATOM 507 OD1 ASN A 31 36.091 3.161 8.892 1.00 0.00 O ATOM 508 ND2 ASN A 31 38.231 2.848 9.520 1.00 0.00 N ATOM 0 H ASN A 31 38.979 3.218 5.573 1.00 0.00 H new ATOM 0 HA ASN A 31 36.971 3.686 6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.770 4.964 8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.134 5.591 8.377 1.00 0.00 H new ATOM 0 HD21 ASN A 31 38.011 2.013 10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.193 3.184 9.468 1.00 0.00 H new ATOM 515 N VAL A 32 37.914 6.151 4.866 1.00 0.00 N ATOM 516 CA VAL A 32 37.597 7.367 4.137 1.00 0.00 C ATOM 517 C VAL A 32 37.871 8.579 5.030 1.00 0.00 C ATOM 518 O VAL A 32 37.521 9.705 4.680 1.00 0.00 O ATOM 519 CB VAL A 32 36.154 7.312 3.631 1.00 0.00 C ATOM 520 CG1 VAL A 32 35.483 8.683 3.736 1.00 0.00 C ATOM 521 CG2 VAL A 32 36.096 6.783 2.196 1.00 0.00 C ATOM 0 H VAL A 32 38.693 5.615 4.484 1.00 0.00 H new ATOM 0 HA VAL A 32 38.233 7.461 3.257 1.00 0.00 H new ATOM 0 HB VAL A 32 35.603 6.619 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.459 8.616 3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 32 35.476 9.006 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 32 36.036 9.406 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.059 6.754 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 32 36.671 7.440 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 32 36.517 5.778 2.161 1.00 0.00 H new ATOM 531 N LEU A 33 38.495 8.306 6.167 1.00 0.00 N ATOM 532 CA LEU A 33 38.820 9.360 7.113 1.00 0.00 C ATOM 533 C LEU A 33 37.526 9.975 7.650 1.00 0.00 C ATOM 534 O LEU A 33 37.552 11.024 8.293 1.00 0.00 O ATOM 535 CB LEU A 33 39.767 10.379 6.476 1.00 0.00 C ATOM 536 CG LEU A 33 41.145 10.513 7.128 1.00 0.00 C ATOM 537 CD1 LEU A 33 42.166 9.602 6.444 1.00 0.00 C ATOM 538 CD2 LEU A 33 41.602 11.973 7.149 1.00 0.00 C ATOM 0 H LEU A 33 38.784 7.371 6.454 1.00 0.00 H new ATOM 0 HA LEU A 33 39.358 8.951 7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 33 39.907 10.110 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 33 39.283 11.355 6.492 1.00 0.00 H new ATOM 0 HG LEU A 33 41.066 10.186 8.165 1.00 0.00 H new ATOM 0 HD11 LEU A 33 43.137 9.717 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.840 8.565 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 33 42.249 9.874 5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 33 42.584 12.040 7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 33 41.660 12.351 6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 33 40.888 12.570 7.716 1.00 0.00 H new ATOM 550 N ARG A 34 36.424 9.297 7.365 1.00 0.00 N ATOM 551 CA ARG A 34 35.122 9.764 7.811 1.00 0.00 C ATOM 552 C ARG A 34 34.151 8.588 7.938 1.00 0.00 C ATOM 553 O ARG A 34 33.366 8.526 8.883 1.00 0.00 O ATOM 554 CB ARG A 34 34.542 10.792 6.838 1.00 0.00 C ATOM 555 CG ARG A 34 33.168 11.276 7.305 1.00 0.00 C ATOM 556 CD ARG A 34 33.067 12.800 7.224 1.00 0.00 C ATOM 557 NE ARG A 34 32.174 13.305 8.290 1.00 0.00 N ATOM 558 CZ ARG A 34 32.197 14.570 8.762 1.00 0.00 C ATOM 559 NH1 ARG A 34 33.071 15.470 8.264 1.00 0.00 N ATOM 560 NH2 ARG A 34 31.353 14.913 9.717 1.00 0.00 N ATOM 0 H ARG A 34 36.406 8.428 6.831 1.00 0.00 H new ATOM 0 HA ARG A 34 35.255 10.237 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 34 35.221 11.641 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 34 34.458 10.351 5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 34 32.391 10.823 6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 34 32.993 10.950 8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 34 34.057 13.244 7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 34 32.685 13.096 6.247 1.00 0.00 H new ATOM 0 HE ARG A 34 31.498 12.657 8.694 1.00 0.00 H new ATOM 0 HH11 ARG A 34 33.720 15.196 7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 34 33.082 16.424 8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 34 30.696 14.226 10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 34 31.358 15.865 10.084 1.00 0.00 H new ATOM 573 N GLU A 35 34.238 7.684 6.973 1.00 0.00 N ATOM 574 CA GLU A 35 33.377 6.513 6.965 1.00 0.00 C ATOM 575 C GLU A 35 32.014 6.861 6.363 1.00 0.00 C ATOM 576 O GLU A 35 31.054 7.108 7.092 1.00 0.00 O ATOM 577 CB GLU A 35 33.223 5.936 8.374 1.00 0.00 C ATOM 578 CG GLU A 35 34.557 5.955 9.123 1.00 0.00 C ATOM 579 CD GLU A 35 34.441 6.743 10.430 1.00 0.00 C ATOM 580 OE1 GLU A 35 33.694 6.338 11.333 1.00 0.00 O ATOM 581 OE2 GLU A 35 35.162 7.810 10.489 1.00 0.00 O ATOM 0 H GLU A 35 34.891 7.739 6.191 1.00 0.00 H new ATOM 0 HA GLU A 35 33.842 5.748 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 35 32.482 6.513 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 35 32.850 4.913 8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 35 34.873 4.934 9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 35 35.326 6.401 8.492 1.00 0.00 H new ATOM 589 N THR A 36 31.972 6.869 5.039 1.00 0.00 N ATOM 590 CA THR A 36 30.743 7.182 4.331 1.00 0.00 C ATOM 591 C THR A 36 30.009 5.897 3.943 1.00 0.00 C ATOM 592 O THR A 36 28.829 5.932 3.596 1.00 0.00 O ATOM 593 CB THR A 36 31.099 8.063 3.132 1.00 0.00 C ATOM 594 OG1 THR A 36 29.871 8.701 2.793 1.00 0.00 O ATOM 595 CG2 THR A 36 31.450 7.246 1.887 1.00 0.00 C ATOM 0 H THR A 36 32.770 6.664 4.438 1.00 0.00 H new ATOM 0 HA THR A 36 30.051 7.736 4.966 1.00 0.00 H new ATOM 0 HB THR A 36 31.940 8.706 3.392 1.00 0.00 H new ATOM 0 HG1 THR A 36 30.011 9.293 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 36 31.694 7.920 1.066 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.308 6.608 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 36 30.598 6.627 1.606 1.00 0.00 H new ATOM 603 N TRP A 37 30.737 4.793 4.014 1.00 0.00 N ATOM 604 CA TRP A 37 30.170 3.499 3.674 1.00 0.00 C ATOM 605 C TRP A 37 29.639 2.863 4.960 1.00 0.00 C ATOM 606 O TRP A 37 28.880 1.897 4.912 1.00 0.00 O ATOM 607 CB TRP A 37 31.197 2.622 2.954 1.00 0.00 C ATOM 608 CG TRP A 37 32.415 3.388 2.436 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.627 3.490 2.999 1.00 0.00 C ATOM 610 CD2 TRP A 37 32.491 4.160 1.218 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.474 4.269 2.237 1.00 0.00 N ATOM 612 CE2 TRP A 37 33.762 4.689 1.120 1.00 0.00 C ATOM 613 CE3 TRP A 37 31.518 4.403 0.233 1.00 0.00 C ATOM 614 CZ2 TRP A 37 34.177 5.494 0.053 1.00 0.00 C ATOM 615 CZ3 TRP A 37 31.948 5.210 -0.827 1.00 0.00 C ATOM 616 CH2 TRP A 37 33.224 5.750 -0.941 1.00 0.00 C ATOM 0 H TRP A 37 31.715 4.768 4.302 1.00 0.00 H new ATOM 0 HA TRP A 37 29.342 3.613 2.974 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.535 1.841 3.636 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.710 2.124 2.115 1.00 0.00 H new ATOM 0 HD1 TRP A 37 33.906 3.022 3.931 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.445 4.495 2.454 1.00 0.00 H new ATOM 0 HE3 TRP A 37 30.518 3.999 0.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 35.178 5.896 -0.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 31.239 5.428 -1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 37 33.479 6.364 -1.792 1.00 0.00 H new ATOM 627 N LEU A 38 30.058 3.432 6.081 1.00 0.00 N ATOM 628 CA LEU A 38 29.634 2.933 7.378 1.00 0.00 C ATOM 629 C LEU A 38 28.411 3.723 7.848 1.00 0.00 C ATOM 630 O LEU A 38 27.464 3.148 8.382 1.00 0.00 O ATOM 631 CB LEU A 38 30.800 2.957 8.369 1.00 0.00 C ATOM 632 CG LEU A 38 32.020 2.116 7.989 1.00 0.00 C ATOM 633 CD1 LEU A 38 31.597 0.788 7.361 1.00 0.00 C ATOM 634 CD2 LEU A 38 32.968 2.904 7.081 1.00 0.00 C ATOM 0 H LEU A 38 30.687 4.234 6.118 1.00 0.00 H new ATOM 0 HA LEU A 38 29.331 1.889 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.121 3.991 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.435 2.615 9.337 1.00 0.00 H new ATOM 0 HG LEU A 38 32.569 1.880 8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 38 32.484 0.210 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.993 0.225 8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.012 0.981 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.827 2.283 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.444 3.191 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.309 3.799 7.601 1.00 0.00 H new ATOM 646 N ILE A 39 28.471 5.029 7.633 1.00 0.00 N ATOM 647 CA ILE A 39 27.380 5.904 8.027 1.00 0.00 C ATOM 648 C ILE A 39 26.157 5.612 7.156 1.00 0.00 C ATOM 649 O ILE A 39 25.058 5.411 7.670 1.00 0.00 O ATOM 650 CB ILE A 39 27.827 7.367 7.991 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.385 7.736 6.615 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.824 7.664 9.113 1.00 0.00 C ATOM 653 CD1 ILE A 39 27.358 8.526 5.801 1.00 0.00 C ATOM 0 H ILE A 39 29.259 5.503 7.191 1.00 0.00 H new ATOM 0 HA ILE A 39 27.089 5.709 9.059 1.00 0.00 H new ATOM 0 HB ILE A 39 26.953 7.995 8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.293 8.327 6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.662 6.830 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 39 29.125 8.710 9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 39 28.356 7.466 10.077 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.702 7.028 8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 39 27.780 8.776 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 39 26.461 7.923 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 39 27.101 9.443 6.331 1.00 0.00 H new ATOM 665 N TYR A 40 26.390 5.599 5.851 1.00 0.00 N ATOM 666 CA TYR A 40 25.321 5.335 4.903 1.00 0.00 C ATOM 667 C TYR A 40 24.940 3.853 4.904 1.00 0.00 C ATOM 668 O TYR A 40 25.433 3.083 5.726 1.00 0.00 O ATOM 669 CB TYR A 40 25.877 5.706 3.527 1.00 0.00 C ATOM 670 CG TYR A 40 26.314 4.503 2.688 1.00 0.00 C ATOM 671 CD1 TYR A 40 27.057 3.493 3.265 1.00 0.00 C ATOM 672 CD2 TYR A 40 25.965 4.429 1.355 1.00 0.00 C ATOM 673 CE1 TYR A 40 27.468 2.362 2.475 1.00 0.00 C ATOM 674 CE2 TYR A 40 26.377 3.297 0.565 1.00 0.00 C ATOM 675 CZ TYR A 40 27.108 2.319 1.165 1.00 0.00 C ATOM 676 OH TYR A 40 27.497 1.250 0.419 1.00 0.00 O ATOM 0 H TYR A 40 27.303 5.767 5.429 1.00 0.00 H new ATOM 0 HA TYR A 40 24.429 5.906 5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.118 6.263 2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.729 6.373 3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.330 3.551 4.308 1.00 0.00 H new ATOM 0 HD2 TYR A 40 25.383 5.219 0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.050 1.565 2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 40 26.112 3.226 -0.480 1.00 0.00 H new ATOM 0 HH TYR A 40 27.168 1.354 -0.498 1.00 0.00 H new ATOM 686 N LYS A 41 24.066 3.499 3.974 1.00 0.00 N ATOM 687 CA LYS A 41 23.614 2.123 3.857 1.00 0.00 C ATOM 688 C LYS A 41 22.602 2.019 2.714 1.00 0.00 C ATOM 689 O LYS A 41 22.187 3.032 2.153 1.00 0.00 O ATOM 690 CB LYS A 41 23.079 1.619 5.199 1.00 0.00 C ATOM 691 CG LYS A 41 22.032 2.579 5.768 1.00 0.00 C ATOM 692 CD LYS A 41 20.694 2.422 5.042 1.00 0.00 C ATOM 693 CE LYS A 41 19.548 2.999 5.876 1.00 0.00 C ATOM 694 NZ LYS A 41 19.192 2.075 6.976 1.00 0.00 N ATOM 0 H LYS A 41 23.659 4.141 3.294 1.00 0.00 H new ATOM 0 HA LYS A 41 24.448 1.468 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 41 22.639 0.630 5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 41 23.902 1.513 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.897 2.387 6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.384 3.606 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.738 2.928 4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.507 1.367 4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.839 3.966 6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.679 3.170 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.302 2.385 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.075 1.113 6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.949 2.077 7.689 1.00 0.00 H new ATOM 707 N ASN A 42 22.234 0.785 2.403 1.00 0.00 N ATOM 708 CA ASN A 42 21.278 0.535 1.337 1.00 0.00 C ATOM 709 C ASN A 42 20.629 -0.834 1.550 1.00 0.00 C ATOM 710 O ASN A 42 19.412 -0.932 1.693 1.00 0.00 O ATOM 711 CB ASN A 42 21.967 0.524 -0.029 1.00 0.00 C ATOM 712 CG ASN A 42 22.736 1.826 -0.266 1.00 0.00 C ATOM 713 OD1 ASN A 42 23.804 2.054 0.278 1.00 0.00 O ATOM 714 ND2 ASN A 42 22.134 2.664 -1.105 1.00 0.00 N ATOM 0 H ASN A 42 22.580 -0.053 2.870 1.00 0.00 H new ATOM 0 HA ASN A 42 20.533 1.330 1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 42 22.651 -0.323 -0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 42 21.223 0.389 -0.814 1.00 0.00 H new ATOM 0 HD21 ASN A 42 22.566 3.561 -1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 42 21.240 2.410 -1.526 1.00 0.00 H new ATOM 721 N THR A 43 21.472 -1.857 1.565 1.00 0.00 N ATOM 722 CA THR A 43 20.995 -3.216 1.759 1.00 0.00 C ATOM 723 C THR A 43 20.389 -3.375 3.154 1.00 0.00 C ATOM 724 O THR A 43 20.971 -2.932 4.143 1.00 0.00 O ATOM 725 CB THR A 43 22.163 -4.168 1.492 1.00 0.00 C ATOM 726 OG1 THR A 43 21.610 -5.464 1.706 1.00 0.00 O ATOM 727 CG2 THR A 43 23.265 -4.054 2.547 1.00 0.00 C ATOM 0 H THR A 43 22.481 -1.772 1.446 1.00 0.00 H new ATOM 0 HA THR A 43 20.193 -3.457 1.062 1.00 0.00 H new ATOM 0 HB THR A 43 22.582 -3.961 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 43 22.299 -6.143 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 43 24.069 -4.751 2.310 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.657 -3.037 2.555 1.00 0.00 H new ATOM 0 HG23 THR A 43 22.855 -4.293 3.528 1.00 0.00 H new ATOM 735 N LYS A 44 19.225 -4.008 3.190 1.00 0.00 N ATOM 736 CA LYS A 44 18.533 -4.231 4.447 1.00 0.00 C ATOM 737 C LYS A 44 18.873 -5.628 4.971 1.00 0.00 C ATOM 738 O LYS A 44 18.464 -6.630 4.387 1.00 0.00 O ATOM 739 CB LYS A 44 17.032 -3.984 4.284 1.00 0.00 C ATOM 740 CG LYS A 44 16.630 -2.634 4.881 1.00 0.00 C ATOM 741 CD LYS A 44 16.086 -2.802 6.301 1.00 0.00 C ATOM 742 CE LYS A 44 17.128 -2.388 7.341 1.00 0.00 C ATOM 743 NZ LYS A 44 16.522 -2.333 8.690 1.00 0.00 N ATOM 0 H LYS A 44 18.744 -4.373 2.368 1.00 0.00 H new ATOM 0 HA LYS A 44 18.870 -3.517 5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.768 -4.011 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.473 -4.782 4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.492 -1.967 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.874 -2.165 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.186 -2.199 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.798 -3.841 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.956 -3.097 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.541 -1.413 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.266 -2.440 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.044 -1.418 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.830 -3.102 8.791 1.00 0.00 H new ATOM 756 N LEU A 45 19.618 -5.649 6.067 1.00 0.00 N ATOM 757 CA LEU A 45 20.017 -6.907 6.676 1.00 0.00 C ATOM 758 C LEU A 45 18.847 -7.473 7.481 1.00 0.00 C ATOM 759 O LEU A 45 18.977 -7.729 8.677 1.00 0.00 O ATOM 760 CB LEU A 45 21.296 -6.723 7.495 1.00 0.00 C ATOM 761 CG LEU A 45 22.515 -6.202 6.730 1.00 0.00 C ATOM 762 CD1 LEU A 45 23.664 -5.877 7.685 1.00 0.00 C ATOM 763 CD2 LEU A 45 22.938 -7.187 5.638 1.00 0.00 C ATOM 0 H LEU A 45 19.956 -4.816 6.549 1.00 0.00 H new ATOM 0 HA LEU A 45 20.260 -7.642 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 45 21.084 -6.034 8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 45 21.557 -7.681 7.945 1.00 0.00 H new ATOM 0 HG LEU A 45 22.236 -5.272 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 45 24.517 -5.509 7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 45 23.343 -5.113 8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 45 23.951 -6.777 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 45 23.806 -6.793 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 45 23.193 -8.145 6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 45 22.117 -7.325 4.935 1.00 0.00 H new ATOM 775 N VAL A 46 17.728 -7.652 6.794 1.00 0.00 N ATOM 776 CA VAL A 46 16.535 -8.184 7.430 1.00 0.00 C ATOM 777 C VAL A 46 15.777 -9.060 6.432 1.00 0.00 C ATOM 778 O VAL A 46 14.787 -8.626 5.845 1.00 0.00 O ATOM 779 CB VAL A 46 15.686 -7.039 7.987 1.00 0.00 C ATOM 780 CG1 VAL A 46 14.548 -7.575 8.858 1.00 0.00 C ATOM 781 CG2 VAL A 46 16.549 -6.043 8.764 1.00 0.00 C ATOM 0 H VAL A 46 17.623 -7.438 5.802 1.00 0.00 H new ATOM 0 HA VAL A 46 16.802 -8.815 8.277 1.00 0.00 H new ATOM 0 HB VAL A 46 15.242 -6.510 7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.960 -6.741 9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.909 -8.226 8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 46 14.964 -8.140 9.692 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.921 -5.240 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.035 -6.554 9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.307 -5.625 8.102 1.00 0.00 H new ATOM 791 N LYS A 47 16.270 -10.279 6.269 1.00 0.00 N ATOM 792 CA LYS A 47 15.652 -11.221 5.352 1.00 0.00 C ATOM 793 C LYS A 47 14.289 -11.644 5.904 1.00 0.00 C ATOM 794 O LYS A 47 14.192 -12.618 6.649 1.00 0.00 O ATOM 795 CB LYS A 47 16.593 -12.394 5.073 1.00 0.00 C ATOM 796 CG LYS A 47 17.142 -12.329 3.646 1.00 0.00 C ATOM 797 CD LYS A 47 18.621 -12.718 3.610 1.00 0.00 C ATOM 798 CE LYS A 47 19.121 -12.839 2.169 1.00 0.00 C ATOM 799 NZ LYS A 47 19.110 -11.517 1.503 1.00 0.00 N ATOM 0 H LYS A 47 17.091 -10.636 6.757 1.00 0.00 H new ATOM 0 HA LYS A 47 15.473 -10.750 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 47 17.418 -12.380 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 47 16.061 -13.334 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.571 -12.997 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 17.018 -11.321 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.210 -11.971 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.764 -13.666 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 47 20.131 -13.248 2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.491 -13.536 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.561 -11.595 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.128 -11.195 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.633 -10.831 2.084 1.00 0.00 H new ATOM 812 N LYS A 48 13.270 -10.891 5.517 1.00 0.00 N ATOM 813 CA LYS A 48 11.917 -11.175 5.964 1.00 0.00 C ATOM 814 C LYS A 48 11.386 -12.402 5.220 1.00 0.00 C ATOM 815 O LYS A 48 10.538 -12.278 4.337 1.00 0.00 O ATOM 816 CB LYS A 48 11.032 -9.936 5.817 1.00 0.00 C ATOM 817 CG LYS A 48 11.246 -9.268 4.457 1.00 0.00 C ATOM 818 CD LYS A 48 10.058 -8.376 4.091 1.00 0.00 C ATOM 819 CE LYS A 48 8.784 -9.204 3.916 1.00 0.00 C ATOM 820 NZ LYS A 48 7.968 -9.167 5.151 1.00 0.00 N ATOM 0 H LYS A 48 13.354 -10.084 4.899 1.00 0.00 H new ATOM 0 HA LYS A 48 11.910 -11.418 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.985 -10.217 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.257 -9.227 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.159 -8.673 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.382 -10.031 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.906 -7.629 4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.275 -7.836 3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.204 -8.817 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.043 -10.235 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.678 -10.133 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.529 -8.760 5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.123 -8.582 4.991 1.00 0.00 H new ATOM 833 N ILE A 49 11.906 -13.559 5.604 1.00 0.00 N ATOM 834 CA ILE A 49 11.495 -14.807 4.984 1.00 0.00 C ATOM 835 C ILE A 49 9.970 -14.835 4.866 1.00 0.00 C ATOM 836 O ILE A 49 9.279 -14.050 5.514 1.00 0.00 O ATOM 837 CB ILE A 49 12.075 -16.000 5.746 1.00 0.00 C ATOM 838 CG1 ILE A 49 13.354 -16.508 5.079 1.00 0.00 C ATOM 839 CG2 ILE A 49 11.032 -17.108 5.905 1.00 0.00 C ATOM 840 CD1 ILE A 49 13.098 -16.884 3.618 1.00 0.00 C ATOM 0 H ILE A 49 12.608 -13.658 6.337 1.00 0.00 H new ATOM 0 HA ILE A 49 11.895 -14.880 3.972 1.00 0.00 H new ATOM 0 HB ILE A 49 12.346 -15.666 6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 49 14.125 -15.740 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 49 13.731 -17.375 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.470 -17.944 6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.174 -16.724 6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.708 -17.446 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 49 14.023 -17.242 3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 49 12.344 -17.670 3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.744 -16.008 3.074 1.00 0.00 H new ATOM 852 N ASP A 50 9.489 -15.747 4.035 1.00 0.00 N ATOM 853 CA ASP A 50 8.058 -15.887 3.823 1.00 0.00 C ATOM 854 C ASP A 50 7.792 -17.135 2.978 1.00 0.00 C ATOM 855 O ASP A 50 7.848 -17.081 1.751 1.00 0.00 O ATOM 856 CB ASP A 50 7.491 -14.680 3.075 1.00 0.00 C ATOM 857 CG ASP A 50 6.277 -14.022 3.736 1.00 0.00 C ATOM 858 OD1 ASP A 50 6.340 -13.582 4.894 1.00 0.00 O ATOM 859 OD2 ASP A 50 5.218 -13.969 3.001 1.00 0.00 O ATOM 0 H ASP A 50 10.065 -16.397 3.500 1.00 0.00 H new ATOM 0 HA ASP A 50 7.579 -15.964 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.278 -13.933 2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.213 -14.993 2.069 1.00 0.00 H new ATOM 865 N HIS A 51 7.508 -18.229 3.669 1.00 0.00 N ATOM 866 CA HIS A 51 7.232 -19.488 2.997 1.00 0.00 C ATOM 867 C HIS A 51 5.747 -19.828 3.134 1.00 0.00 C ATOM 868 O HIS A 51 5.039 -19.944 2.135 1.00 0.00 O ATOM 869 CB HIS A 51 8.146 -20.596 3.525 1.00 0.00 C ATOM 870 CG HIS A 51 8.997 -21.248 2.461 1.00 0.00 C ATOM 871 ND1 HIS A 51 10.373 -21.112 2.415 1.00 0.00 N ATOM 872 CD2 HIS A 51 8.653 -22.042 1.407 1.00 0.00 C ATOM 873 CE1 HIS A 51 10.827 -21.797 1.375 1.00 0.00 C ATOM 874 NE2 HIS A 51 9.759 -22.372 0.751 1.00 0.00 N ATOM 0 H HIS A 51 7.463 -18.270 4.687 1.00 0.00 H new ATOM 0 HA HIS A 51 7.450 -19.393 1.933 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.798 -20.180 4.293 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.534 -21.360 4.005 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.650 -22.350 1.150 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.861 -21.884 1.075 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.803 -22.959 -0.082 1.00 0.00 H new ATOM 882 N ALA A 52 5.320 -19.980 4.379 1.00 0.00 N ATOM 883 CA ALA A 52 3.932 -20.305 4.659 1.00 0.00 C ATOM 884 C ALA A 52 3.659 -20.113 6.152 1.00 0.00 C ATOM 885 O ALA A 52 4.392 -20.632 6.993 1.00 0.00 O ATOM 886 CB ALA A 52 3.636 -21.731 4.191 1.00 0.00 C ATOM 0 H ALA A 52 5.911 -19.884 5.205 1.00 0.00 H new ATOM 0 HA ALA A 52 3.265 -19.638 4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.595 -21.974 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.817 -21.807 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.285 -22.429 4.719 1.00 0.00 H new ATOM 892 N LYS A 53 2.602 -19.366 6.437 1.00 0.00 N ATOM 893 CA LYS A 53 2.224 -19.099 7.814 1.00 0.00 C ATOM 894 C LYS A 53 1.298 -20.213 8.309 1.00 0.00 C ATOM 895 O LYS A 53 1.560 -20.830 9.340 1.00 0.00 O ATOM 896 CB LYS A 53 1.623 -17.698 7.943 1.00 0.00 C ATOM 897 CG LYS A 53 2.650 -16.625 7.574 1.00 0.00 C ATOM 898 CD LYS A 53 3.731 -16.508 8.650 1.00 0.00 C ATOM 899 CE LYS A 53 4.263 -15.076 8.738 1.00 0.00 C ATOM 900 NZ LYS A 53 5.684 -15.076 9.154 1.00 0.00 N ATOM 0 H LYS A 53 1.996 -18.937 5.737 1.00 0.00 H new ATOM 0 HA LYS A 53 3.103 -19.104 8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.752 -17.611 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.277 -17.539 8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.110 -16.870 6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.149 -15.665 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.323 -16.808 9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.550 -17.191 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.161 -14.584 7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.669 -14.504 9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.030 -14.097 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.773 -15.527 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.249 -15.604 8.459 1.00 0.00 H new ATOM 913 N VAL A 54 0.235 -20.435 7.551 1.00 0.00 N ATOM 914 CA VAL A 54 -0.731 -21.464 7.899 1.00 0.00 C ATOM 915 C VAL A 54 -1.071 -22.282 6.652 1.00 0.00 C ATOM 916 O VAL A 54 -0.271 -23.105 6.208 1.00 0.00 O ATOM 917 CB VAL A 54 -1.961 -20.828 8.550 1.00 0.00 C ATOM 918 CG1 VAL A 54 -2.411 -19.587 7.776 1.00 0.00 C ATOM 919 CG2 VAL A 54 -3.100 -21.840 8.675 1.00 0.00 C ATOM 0 H VAL A 54 0.021 -19.920 6.697 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.309 -22.151 8.633 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.683 -20.512 9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.287 -19.154 8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.604 -18.854 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.663 -19.868 6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.962 -21.362 9.141 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.377 -22.201 7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.775 -22.680 9.289 1.00 0.00 H new ATOM 929 N ARG A 55 -2.258 -22.028 6.122 1.00 0.00 N ATOM 930 CA ARG A 55 -2.713 -22.731 4.934 1.00 0.00 C ATOM 931 C ARG A 55 -2.738 -24.239 5.187 1.00 0.00 C ATOM 932 O ARG A 55 -1.760 -24.934 4.914 1.00 0.00 O ATOM 933 CB ARG A 55 -1.806 -22.436 3.738 1.00 0.00 C ATOM 934 CG ARG A 55 -1.930 -20.974 3.304 1.00 0.00 C ATOM 935 CD ARG A 55 -2.450 -20.870 1.868 1.00 0.00 C ATOM 936 NE ARG A 55 -1.320 -20.930 0.915 1.00 0.00 N ATOM 937 CZ ARG A 55 -1.448 -20.783 -0.421 1.00 0.00 C ATOM 938 NH1 ARG A 55 -2.661 -20.566 -0.973 1.00 0.00 N ATOM 939 NH2 ARG A 55 -0.370 -20.854 -1.179 1.00 0.00 N ATOM 0 H ARG A 55 -2.919 -21.345 6.493 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.720 -22.381 4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.771 -22.655 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.070 -23.090 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.605 -20.447 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.959 -20.485 3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.150 -21.681 1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.997 -19.937 1.737 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.386 -21.093 1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.489 -20.512 -0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.749 -20.456 -1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.543 -21.018 -0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.449 -20.745 -2.190 1.00 0.00 H new ATOM 952 N LYS A 56 -3.865 -24.702 5.707 1.00 0.00 N ATOM 953 CA LYS A 56 -4.030 -26.116 5.999 1.00 0.00 C ATOM 954 C LYS A 56 -5.196 -26.670 5.178 1.00 0.00 C ATOM 955 O LYS A 56 -6.180 -25.971 4.940 1.00 0.00 O ATOM 956 CB LYS A 56 -4.179 -26.337 7.506 1.00 0.00 C ATOM 957 CG LYS A 56 -5.478 -25.717 8.026 1.00 0.00 C ATOM 958 CD LYS A 56 -6.498 -26.800 8.382 1.00 0.00 C ATOM 959 CE LYS A 56 -7.193 -26.484 9.708 1.00 0.00 C ATOM 960 NZ LYS A 56 -8.374 -25.621 9.481 1.00 0.00 N ATOM 0 H LYS A 56 -4.673 -24.123 5.934 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.140 -26.672 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.169 -27.405 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.328 -25.898 8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.268 -25.107 8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.896 -25.053 7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.241 -26.880 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.999 -27.767 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.500 -27.410 10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.495 -25.986 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.834 -25.416 10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.073 -24.730 9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.046 -26.110 8.856 1.00 0.00 H new ATOM 973 N HIS A 57 -5.047 -27.921 4.768 1.00 0.00 N ATOM 974 CA HIS A 57 -6.076 -28.577 3.979 1.00 0.00 C ATOM 975 C HIS A 57 -6.581 -29.815 4.722 1.00 0.00 C ATOM 976 O HIS A 57 -6.235 -30.941 4.367 1.00 0.00 O ATOM 977 CB HIS A 57 -5.561 -28.897 2.574 1.00 0.00 C ATOM 978 CG HIS A 57 -6.653 -29.142 1.560 1.00 0.00 C ATOM 979 ND1 HIS A 57 -6.547 -30.091 0.558 1.00 0.00 N ATOM 980 CD2 HIS A 57 -7.873 -28.553 1.406 1.00 0.00 C ATOM 981 CE1 HIS A 57 -7.659 -30.065 -0.162 1.00 0.00 C ATOM 982 NE2 HIS A 57 -8.479 -29.111 0.365 1.00 0.00 N ATOM 0 H HIS A 57 -4.230 -28.498 4.967 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.924 -27.904 3.848 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.938 -28.071 2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.922 -29.779 2.625 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.278 -27.766 2.026 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.878 -30.689 -1.016 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.406 -28.866 0.016 1.00 0.00 H new ATOM 990 N GLN A 58 -7.392 -29.565 5.739 1.00 0.00 N ATOM 991 CA GLN A 58 -7.949 -30.645 6.535 1.00 0.00 C ATOM 992 C GLN A 58 -9.263 -31.134 5.922 1.00 0.00 C ATOM 993 O GLN A 58 -9.797 -30.506 5.009 1.00 0.00 O ATOM 994 CB GLN A 58 -8.150 -30.209 7.988 1.00 0.00 C ATOM 995 CG GLN A 58 -7.117 -30.865 8.906 1.00 0.00 C ATOM 996 CD GLN A 58 -7.754 -31.976 9.743 1.00 0.00 C ATOM 997 OE1 GLN A 58 -8.868 -31.863 10.227 1.00 0.00 O ATOM 998 NE2 GLN A 58 -6.987 -33.053 9.886 1.00 0.00 N ATOM 0 H GLN A 58 -7.677 -28.630 6.030 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.240 -31.473 6.534 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.069 -29.124 8.060 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.155 -30.476 8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.303 -31.276 8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.681 -30.114 9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.063 -33.082 9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.322 -33.850 10.428 1.00 0.00 H new ATOM 1007 N ARG A 59 -9.747 -32.249 6.450 1.00 0.00 N ATOM 1008 CA ARG A 59 -10.988 -32.828 5.966 1.00 0.00 C ATOM 1009 C ARG A 59 -10.819 -33.320 4.527 1.00 0.00 C ATOM 1010 O ARG A 59 -10.101 -32.708 3.739 1.00 0.00 O ATOM 1011 CB ARG A 59 -12.129 -31.810 6.019 1.00 0.00 C ATOM 1012 CG ARG A 59 -13.353 -32.394 6.727 1.00 0.00 C ATOM 1013 CD ARG A 59 -14.550 -32.475 5.777 1.00 0.00 C ATOM 1014 NE ARG A 59 -15.805 -32.593 6.552 1.00 0.00 N ATOM 1015 CZ ARG A 59 -16.258 -33.747 7.087 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -15.560 -34.893 6.935 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -17.393 -33.738 7.761 1.00 0.00 N ATOM 0 H ARG A 59 -9.302 -32.766 7.208 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.236 -33.668 6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.796 -30.913 6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.399 -31.509 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.118 -33.388 7.107 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.609 -31.776 7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.585 -31.587 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.441 -33.333 5.114 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.363 -31.750 6.691 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.684 -34.891 6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.909 -35.761 7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.914 -32.868 7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.749 -34.601 8.171 1.00 0.00 H new ATOM 1030 N LYS A 60 -11.493 -34.421 4.229 1.00 0.00 N ATOM 1031 CA LYS A 60 -11.427 -35.002 2.899 1.00 0.00 C ATOM 1032 C LYS A 60 -12.616 -35.943 2.698 1.00 0.00 C ATOM 1033 O LYS A 60 -13.438 -36.111 3.597 1.00 0.00 O ATOM 1034 CB LYS A 60 -10.069 -35.670 2.673 1.00 0.00 C ATOM 1035 CG LYS A 60 -9.983 -37.004 3.418 1.00 0.00 C ATOM 1036 CD LYS A 60 -9.769 -36.782 4.916 1.00 0.00 C ATOM 1037 CE LYS A 60 -8.640 -37.668 5.446 1.00 0.00 C ATOM 1038 NZ LYS A 60 -9.117 -39.056 5.638 1.00 0.00 N ATOM 0 H LYS A 60 -12.088 -34.926 4.886 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.504 -34.224 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.914 -35.834 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.273 -35.008 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.899 -37.574 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.163 -37.598 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.532 -35.734 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.691 -37.000 5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.803 -37.658 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.271 -37.270 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.338 -39.644 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.901 -39.062 6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.448 -39.438 4.729 1.00 0.00 H new ATOM 1051 N PHE A 61 -12.670 -36.532 1.512 1.00 0.00 N ATOM 1052 CA PHE A 61 -13.745 -37.453 1.182 1.00 0.00 C ATOM 1053 C PHE A 61 -13.303 -38.904 1.377 1.00 0.00 C ATOM 1054 O PHE A 61 -12.129 -39.228 1.207 1.00 0.00 O ATOM 1055 CB PHE A 61 -14.087 -37.230 -0.292 1.00 0.00 C ATOM 1056 CG PHE A 61 -14.563 -35.812 -0.614 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -15.800 -35.404 -0.219 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -13.751 -34.959 -1.293 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -16.242 -34.088 -0.517 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -14.193 -33.643 -1.591 1.00 0.00 C ATOM 1061 CZ PHE A 61 -15.429 -33.235 -1.197 1.00 0.00 C ATOM 0 H PHE A 61 -11.987 -36.389 0.768 1.00 0.00 H new ATOM 0 HA PHE A 61 -14.602 -37.273 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -13.207 -37.453 -0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -14.862 -37.938 -0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -16.445 -36.081 0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -12.769 -35.282 -1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -17.224 -33.764 -0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -13.547 -32.966 -2.131 1.00 0.00 H new ATOM 0 HZ PHE A 61 -15.765 -32.234 -1.424 1.00 0.00 H new ATOM 1071 N LEU A 62 -14.268 -39.740 1.732 1.00 0.00 N ATOM 1072 CA LEU A 62 -13.994 -41.150 1.952 1.00 0.00 C ATOM 1073 C LEU A 62 -15.141 -41.984 1.379 1.00 0.00 C ATOM 1074 O LEU A 62 -16.136 -41.436 0.906 1.00 0.00 O ATOM 1075 CB LEU A 62 -13.719 -41.417 3.433 1.00 0.00 C ATOM 1076 CG LEU A 62 -14.950 -41.514 4.337 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -14.859 -42.730 5.261 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -15.160 -40.215 5.118 1.00 0.00 C ATOM 0 H LEU A 62 -15.241 -39.468 1.873 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.088 -41.449 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.158 -42.348 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.076 -40.622 3.812 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.827 -41.656 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.747 -42.775 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -14.794 -43.638 4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.972 -42.645 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.041 -40.310 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -14.286 -40.018 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.303 -39.390 4.420 1.00 0.00 H new ATOM 1090 N GLN A 63 -14.965 -43.296 1.440 1.00 0.00 N ATOM 1091 CA GLN A 63 -15.973 -44.211 0.933 1.00 0.00 C ATOM 1092 C GLN A 63 -17.307 -43.979 1.646 1.00 0.00 C ATOM 1093 O GLN A 63 -17.374 -43.225 2.615 1.00 0.00 O ATOM 1094 CB GLN A 63 -15.518 -45.664 1.080 1.00 0.00 C ATOM 1095 CG GLN A 63 -14.454 -46.014 0.038 1.00 0.00 C ATOM 1096 CD GLN A 63 -13.053 -45.974 0.650 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -12.812 -45.358 1.676 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -12.144 -46.663 -0.034 1.00 0.00 N ATOM 0 H GLN A 63 -14.139 -43.747 1.833 1.00 0.00 H new ATOM 0 HA GLN A 63 -16.113 -44.014 -0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -15.118 -45.824 2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.374 -46.330 0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.649 -47.007 -0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.511 -45.313 -0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.412 -47.156 -0.885 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.178 -46.698 0.293 1.00 0.00 H new ATOM 1107 N ALA A 64 -18.336 -44.641 1.137 1.00 0.00 N ATOM 1108 CA ALA A 64 -19.664 -44.517 1.713 1.00 0.00 C ATOM 1109 C ALA A 64 -20.640 -45.397 0.930 1.00 0.00 C ATOM 1110 O ALA A 64 -21.172 -44.978 -0.097 1.00 0.00 O ATOM 1111 CB ALA A 64 -20.082 -43.045 1.719 1.00 0.00 C ATOM 0 H ALA A 64 -18.277 -45.265 0.332 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.667 -44.862 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -21.078 -42.951 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.373 -42.468 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.093 -42.666 0.697 1.00 0.00 H new ATOM 1117 N ILE A 65 -20.844 -46.601 1.444 1.00 0.00 N ATOM 1118 CA ILE A 65 -21.746 -47.544 0.805 1.00 0.00 C ATOM 1119 C ILE A 65 -21.308 -47.760 -0.645 1.00 0.00 C ATOM 1120 O ILE A 65 -21.710 -47.013 -1.536 1.00 0.00 O ATOM 1121 CB ILE A 65 -23.196 -47.079 0.947 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -23.833 -47.648 2.217 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -24.007 -47.422 -0.304 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -25.019 -46.792 2.666 1.00 0.00 C ATOM 0 H ILE A 65 -20.400 -46.945 2.295 1.00 0.00 H new ATOM 0 HA ILE A 65 -21.697 -48.514 1.301 1.00 0.00 H new ATOM 0 HB ILE A 65 -23.198 -45.993 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -24.166 -48.670 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -23.090 -47.692 3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -25.034 -47.080 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -23.566 -46.929 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -24.000 -48.501 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -25.454 -47.218 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -24.678 -45.777 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -25.771 -46.770 1.877 1.00 0.00 H new ATOM 1136 N HIS A 66 -20.490 -48.784 -0.837 1.00 0.00 N ATOM 1137 CA HIS A 66 -19.993 -49.107 -2.164 1.00 0.00 C ATOM 1138 C HIS A 66 -20.191 -50.600 -2.437 1.00 0.00 C ATOM 1139 O HIS A 66 -19.235 -51.373 -2.400 1.00 0.00 O ATOM 1140 CB HIS A 66 -18.538 -48.663 -2.322 1.00 0.00 C ATOM 1141 CG HIS A 66 -18.369 -47.367 -3.078 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -17.131 -46.863 -3.436 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -19.295 -46.477 -3.539 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -17.316 -45.722 -4.083 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -18.657 -45.484 -4.145 1.00 0.00 N ATOM 0 H HIS A 66 -20.159 -49.401 -0.096 1.00 0.00 H new ATOM 0 HA HIS A 66 -20.563 -48.558 -2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -18.093 -48.555 -1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -17.984 -49.447 -2.838 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -20.366 -46.566 -3.429 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -16.540 -45.091 -4.490 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -19.097 -44.676 -4.585 1.00 0.00 H new ATOM 1153 N GLN A 67 -21.438 -50.959 -2.704 1.00 0.00 N ATOM 1154 CA GLN A 67 -21.774 -52.345 -2.982 1.00 0.00 C ATOM 1155 C GLN A 67 -22.917 -52.421 -3.996 1.00 0.00 C ATOM 1156 O GLN A 67 -23.768 -51.534 -4.045 1.00 0.00 O ATOM 1157 CB GLN A 67 -22.131 -53.092 -1.696 1.00 0.00 C ATOM 1158 CG GLN A 67 -20.883 -53.694 -1.046 1.00 0.00 C ATOM 1159 CD GLN A 67 -21.057 -55.196 -0.811 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -21.772 -55.883 -1.522 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -20.365 -55.665 0.223 1.00 0.00 N ATOM 0 H GLN A 67 -22.228 -50.314 -2.734 1.00 0.00 H new ATOM 0 HA GLN A 67 -20.899 -52.831 -3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -22.616 -52.410 -0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -22.847 -53.883 -1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -20.017 -53.520 -1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -20.686 -53.194 -0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.785 -55.034 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -20.414 -56.655 0.462 1.00 0.00 H new ATOM 1170 N LEU A 68 -22.900 -53.489 -4.781 1.00 0.00 N ATOM 1171 CA LEU A 68 -23.925 -53.692 -5.791 1.00 0.00 C ATOM 1172 C LEU A 68 -23.931 -55.161 -6.216 1.00 0.00 C ATOM 1173 O LEU A 68 -22.880 -55.733 -6.502 1.00 0.00 O ATOM 1174 CB LEU A 68 -23.732 -52.715 -6.953 1.00 0.00 C ATOM 1175 CG LEU A 68 -22.346 -52.709 -7.601 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -22.453 -52.665 -9.126 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -21.491 -51.564 -7.053 1.00 0.00 C ATOM 0 H LEU A 68 -22.193 -54.223 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 68 -24.912 -53.474 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -24.470 -52.945 -7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -23.948 -51.708 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 68 -21.843 -53.641 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -21.454 -52.662 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -22.999 -53.540 -9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -22.983 -51.762 -9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -20.511 -51.582 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -21.979 -50.612 -7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -21.373 -51.681 -5.976 1.00 0.00 H new ATOM 1189 N ARG A 69 -25.127 -55.730 -6.246 1.00 0.00 N ATOM 1190 CA ARG A 69 -25.284 -57.122 -6.632 1.00 0.00 C ATOM 1191 C ARG A 69 -26.754 -57.537 -6.537 1.00 0.00 C ATOM 1192 O ARG A 69 -27.501 -57.004 -5.718 1.00 0.00 O ATOM 1193 CB ARG A 69 -24.444 -58.039 -5.740 1.00 0.00 C ATOM 1194 CG ARG A 69 -24.902 -57.958 -4.283 1.00 0.00 C ATOM 1195 CD ARG A 69 -23.774 -58.357 -3.330 1.00 0.00 C ATOM 1196 NE ARG A 69 -24.108 -59.632 -2.657 1.00 0.00 N ATOM 1197 CZ ARG A 69 -25.084 -59.768 -1.734 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -25.833 -58.706 -1.367 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -25.296 -60.955 -1.197 1.00 0.00 N ATOM 0 H ARG A 69 -25.997 -55.252 -6.009 1.00 0.00 H new ATOM 0 HA ARG A 69 -24.941 -57.221 -7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -24.523 -59.067 -6.093 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -23.393 -57.758 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -25.231 -56.944 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -25.760 -58.613 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -22.840 -58.461 -3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -23.620 -57.574 -2.588 1.00 0.00 H new ATOM 0 HE ARG A 69 -23.567 -60.460 -2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -25.663 -57.792 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -26.568 -58.817 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -24.726 -61.752 -1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -26.029 -61.075 -0.498 1.00 0.00 H new ATOM 1212 N SER A 70 -27.124 -58.485 -7.385 1.00 0.00 N ATOM 1213 CA SER A 70 -28.491 -58.977 -7.407 1.00 0.00 C ATOM 1214 C SER A 70 -28.564 -60.284 -8.200 1.00 0.00 C ATOM 1215 O SER A 70 -27.610 -60.654 -8.883 1.00 0.00 O ATOM 1216 CB SER A 70 -29.441 -57.939 -8.008 1.00 0.00 C ATOM 1217 OG SER A 70 -29.889 -56.999 -7.035 1.00 0.00 O ATOM 0 H SER A 70 -26.501 -58.926 -8.062 1.00 0.00 H new ATOM 0 HA SER A 70 -28.803 -59.164 -6.380 1.00 0.00 H new ATOM 0 HB2 SER A 70 -28.936 -57.411 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 70 -30.301 -58.445 -8.446 1.00 0.00 H new ATOM 0 HG SER A 70 -29.167 -56.819 -6.398 1.00 0.00 H new ATOM 1223 N VAL A 71 -29.705 -60.947 -8.081 1.00 0.00 N ATOM 1224 CA VAL A 71 -29.914 -62.205 -8.778 1.00 0.00 C ATOM 1225 C VAL A 71 -30.969 -62.009 -9.869 1.00 0.00 C ATOM 1226 O VAL A 71 -31.169 -62.885 -10.709 1.00 0.00 O ATOM 1227 CB VAL A 71 -30.286 -63.302 -7.778 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -31.654 -63.030 -7.150 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -30.249 -64.681 -8.438 1.00 0.00 C ATOM 0 H VAL A 71 -30.494 -60.637 -7.513 1.00 0.00 H new ATOM 0 HA VAL A 71 -28.995 -62.528 -9.267 1.00 0.00 H new ATOM 0 HB VAL A 71 -29.544 -63.294 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -31.894 -63.824 -6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -31.631 -62.074 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -32.413 -62.998 -7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -30.517 -65.442 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -30.958 -64.708 -9.265 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -29.245 -64.877 -8.814 1.00 0.00 H new ATOM 1239 N LYS A 72 -31.616 -60.854 -9.822 1.00 0.00 N ATOM 1240 CA LYS A 72 -32.645 -60.532 -10.796 1.00 0.00 C ATOM 1241 C LYS A 72 -33.661 -61.674 -10.854 1.00 0.00 C ATOM 1242 O LYS A 72 -33.695 -62.430 -11.824 1.00 0.00 O ATOM 1243 CB LYS A 72 -32.015 -60.198 -12.150 1.00 0.00 C ATOM 1244 CG LYS A 72 -31.476 -58.767 -12.166 1.00 0.00 C ATOM 1245 CD LYS A 72 -29.966 -58.746 -11.922 1.00 0.00 C ATOM 1246 CE LYS A 72 -29.209 -58.368 -13.196 1.00 0.00 C ATOM 1247 NZ LYS A 72 -29.061 -56.899 -13.295 1.00 0.00 N ATOM 0 H LYS A 72 -31.448 -60.129 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 72 -33.189 -59.637 -10.495 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -31.206 -60.897 -12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -32.756 -60.320 -12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -31.699 -58.302 -13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -31.980 -58.177 -11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -29.732 -58.034 -11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -29.636 -59.726 -11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -28.226 -58.839 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -29.743 -58.745 -14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -28.545 -56.660 -14.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -30.002 -56.456 -13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -28.532 -56.547 -12.471 1.00 0.00 H new ATOM 1260 N MET A 73 -34.464 -61.763 -9.804 1.00 0.00 N ATOM 1261 CA MET A 73 -35.478 -62.800 -9.724 1.00 0.00 C ATOM 1262 C MET A 73 -34.870 -64.183 -9.968 1.00 0.00 C ATOM 1263 O MET A 73 -33.694 -64.295 -10.310 1.00 0.00 O ATOM 1264 CB MET A 73 -36.567 -62.531 -10.764 1.00 0.00 C ATOM 1265 CG MET A 73 -37.364 -61.274 -10.411 1.00 0.00 C ATOM 1266 SD MET A 73 -38.924 -61.276 -11.280 1.00 0.00 S ATOM 1267 CE MET A 73 -38.348 -61.032 -12.952 1.00 0.00 C ATOM 0 H MET A 73 -34.433 -61.134 -9.002 1.00 0.00 H new ATOM 0 HA MET A 73 -35.907 -62.784 -8.722 1.00 0.00 H new ATOM 0 HB2 MET A 73 -36.114 -62.414 -11.748 1.00 0.00 H new ATOM 0 HB3 MET A 73 -37.239 -63.387 -10.822 1.00 0.00 H new ATOM 0 HG2 MET A 73 -37.537 -61.233 -9.336 1.00 0.00 H new ATOM 0 HG3 MET A 73 -36.792 -60.385 -10.675 1.00 0.00 H new ATOM 0 HE1 MET A 73 -39.200 -60.849 -13.607 1.00 0.00 H new ATOM 0 HE2 MET A 73 -37.675 -60.175 -12.984 1.00 0.00 H new ATOM 0 HE3 MET A 73 -37.817 -61.923 -13.288 1.00 0.00 H new ATOM 1277 N GLU A 74 -35.698 -65.200 -9.781 1.00 0.00 N ATOM 1278 CA GLU A 74 -35.256 -66.570 -9.977 1.00 0.00 C ATOM 1279 C GLU A 74 -35.780 -67.112 -11.308 1.00 0.00 C ATOM 1280 O GLU A 74 -36.989 -67.174 -11.524 1.00 0.00 O ATOM 1281 CB GLU A 74 -35.695 -67.460 -8.812 1.00 0.00 C ATOM 1282 CG GLU A 74 -34.543 -67.685 -7.830 1.00 0.00 C ATOM 1283 CD GLU A 74 -35.062 -68.195 -6.484 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -34.675 -69.288 -6.044 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -35.897 -67.412 -5.889 1.00 0.00 O ATOM 0 H GLU A 74 -36.672 -65.103 -9.496 1.00 0.00 H new ATOM 0 HA GLU A 74 -34.166 -66.578 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -36.535 -66.998 -8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -36.045 -68.419 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -33.839 -68.404 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -33.997 -66.753 -7.684 1.00 0.00 H new ATOM 1293 N GLN A 75 -34.843 -67.492 -12.166 1.00 0.00 N ATOM 1294 CA GLN A 75 -35.196 -68.026 -13.470 1.00 0.00 C ATOM 1295 C GLN A 75 -36.256 -69.120 -13.326 1.00 0.00 C ATOM 1296 O GLN A 75 -36.361 -69.754 -12.278 1.00 0.00 O ATOM 1297 CB GLN A 75 -33.959 -68.555 -14.198 1.00 0.00 C ATOM 1298 CG GLN A 75 -33.577 -69.947 -13.691 1.00 0.00 C ATOM 1299 CD GLN A 75 -32.331 -70.470 -14.410 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -32.391 -71.354 -15.248 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -31.202 -69.875 -14.035 1.00 0.00 N ATOM 0 H GLN A 75 -33.841 -67.440 -11.983 1.00 0.00 H new ATOM 0 HA GLN A 75 -35.614 -67.218 -14.071 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -34.153 -68.595 -15.270 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -33.125 -67.869 -14.051 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -33.393 -69.909 -12.617 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -34.407 -70.635 -13.848 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -31.223 -69.141 -13.327 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -30.315 -70.153 -14.455 1.00 0.00 H new ATOM 1310 N ARG A 76 -37.016 -69.307 -14.396 1.00 0.00 N ATOM 1311 CA ARG A 76 -38.065 -70.313 -14.402 1.00 0.00 C ATOM 1312 C ARG A 76 -38.541 -70.574 -15.832 1.00 0.00 C ATOM 1313 O ARG A 76 -38.880 -69.640 -16.557 1.00 0.00 O ATOM 1314 CB ARG A 76 -39.255 -69.873 -13.547 1.00 0.00 C ATOM 1315 CG ARG A 76 -39.541 -68.381 -13.732 1.00 0.00 C ATOM 1316 CD ARG A 76 -41.044 -68.123 -13.863 1.00 0.00 C ATOM 1317 NE ARG A 76 -41.326 -66.680 -13.698 1.00 0.00 N ATOM 1318 CZ ARG A 76 -42.462 -66.079 -14.111 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -43.433 -66.793 -14.718 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -42.608 -64.782 -13.912 1.00 0.00 N ATOM 0 H ARG A 76 -36.926 -68.779 -15.264 1.00 0.00 H new ATOM 0 HA ARG A 76 -37.649 -71.229 -13.981 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -40.137 -70.453 -13.819 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -39.049 -70.080 -12.497 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -39.145 -67.823 -12.883 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -39.027 -68.016 -14.621 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -41.396 -68.462 -14.837 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -41.587 -68.696 -13.111 1.00 0.00 H new ATOM 0 HE ARG A 76 -40.618 -66.103 -13.244 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -43.312 -67.795 -14.868 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -44.288 -66.331 -15.027 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -41.869 -64.250 -13.453 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -43.460 -64.312 -14.218 1.00 0.00 H new ATOM 1333 N LYS A 77 -38.552 -71.848 -16.195 1.00 0.00 N ATOM 1334 CA LYS A 77 -38.981 -72.243 -17.526 1.00 0.00 C ATOM 1335 C LYS A 77 -39.042 -73.770 -17.604 1.00 0.00 C ATOM 1336 O LYS A 77 -38.723 -74.459 -16.636 1.00 0.00 O ATOM 1337 CB LYS A 77 -38.084 -71.608 -18.589 1.00 0.00 C ATOM 1338 CG LYS A 77 -36.701 -72.263 -18.602 1.00 0.00 C ATOM 1339 CD LYS A 77 -35.718 -71.487 -17.723 1.00 0.00 C ATOM 1340 CE LYS A 77 -34.273 -71.866 -18.050 1.00 0.00 C ATOM 1341 NZ LYS A 77 -33.682 -72.658 -16.948 1.00 0.00 N ATOM 0 H LYS A 77 -38.271 -72.620 -15.591 1.00 0.00 H new ATOM 0 HA LYS A 77 -39.986 -71.872 -17.729 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -38.548 -71.710 -19.570 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -37.983 -70.540 -18.394 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -36.778 -73.291 -18.247 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -36.325 -72.306 -19.624 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -35.859 -70.416 -17.871 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -35.923 -71.693 -16.673 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -34.242 -72.441 -18.976 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -33.683 -70.964 -18.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -32.982 -73.323 -17.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -33.216 -72.019 -16.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -34.432 -73.189 -16.461 1.00 0.00 H new ATOM 1354 N LEU A 78 -39.455 -74.255 -18.766 1.00 0.00 N ATOM 1355 CA LEU A 78 -39.562 -75.687 -18.984 1.00 0.00 C ATOM 1356 C LEU A 78 -40.246 -76.333 -17.777 1.00 0.00 C ATOM 1357 O LEU A 78 -40.740 -75.635 -16.893 1.00 0.00 O ATOM 1358 CB LEU A 78 -38.191 -76.284 -19.305 1.00 0.00 C ATOM 1359 CG LEU A 78 -37.885 -76.503 -20.789 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -36.693 -75.653 -21.234 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -37.676 -77.988 -21.092 1.00 0.00 C ATOM 0 H LEU A 78 -39.720 -73.681 -19.567 1.00 0.00 H new ATOM 0 HA LEU A 78 -40.186 -75.894 -19.853 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -37.425 -75.629 -18.889 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -38.104 -77.242 -18.791 1.00 0.00 H new ATOM 0 HG LEU A 78 -38.748 -76.175 -21.368 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -36.497 -75.827 -22.292 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -36.919 -74.598 -21.076 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -35.813 -75.927 -20.652 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -37.460 -78.116 -22.153 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -36.840 -78.365 -20.503 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -38.579 -78.542 -20.836 1.00 0.00 H new ATOM 1373 N ASN A 79 -40.253 -77.658 -17.780 1.00 0.00 N ATOM 1374 CA ASN A 79 -40.868 -78.405 -16.696 1.00 0.00 C ATOM 1375 C ASN A 79 -42.191 -77.739 -16.310 1.00 0.00 C ATOM 1376 O ASN A 79 -42.406 -77.407 -15.145 1.00 0.00 O ATOM 1377 CB ASN A 79 -39.969 -78.422 -15.458 1.00 0.00 C ATOM 1378 CG ASN A 79 -40.304 -79.609 -14.553 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -39.753 -80.691 -14.675 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -41.236 -79.347 -13.641 1.00 0.00 N ATOM 0 H ASN A 79 -39.843 -78.233 -18.516 1.00 0.00 H new ATOM 0 HA ASN A 79 -41.028 -79.427 -17.039 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -38.924 -78.477 -15.764 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -40.090 -77.492 -14.903 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -41.530 -80.074 -12.989 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -41.657 -78.419 -13.594 1.00 0.00 H new ATOM 1387 N ASP A 80 -43.042 -77.563 -17.310 1.00 0.00 N ATOM 1388 CA ASP A 80 -44.338 -76.943 -17.090 1.00 0.00 C ATOM 1389 C ASP A 80 -45.318 -77.426 -18.161 1.00 0.00 C ATOM 1390 O ASP A 80 -44.911 -77.776 -19.267 1.00 0.00 O ATOM 1391 CB ASP A 80 -44.243 -75.420 -17.188 1.00 0.00 C ATOM 1392 CG ASP A 80 -43.481 -74.744 -16.045 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -43.495 -75.220 -14.900 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -42.846 -73.670 -16.373 1.00 0.00 O ATOM 0 H ASP A 80 -42.860 -77.839 -18.275 1.00 0.00 H new ATOM 0 HA ASP A 80 -44.679 -77.219 -16.092 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -43.759 -75.161 -18.130 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -45.252 -75.010 -17.224 1.00 0.00 H new ATOM 1400 N GLN A 81 -46.591 -77.429 -17.794 1.00 0.00 N ATOM 1401 CA GLN A 81 -47.633 -77.863 -18.710 1.00 0.00 C ATOM 1402 C GLN A 81 -47.424 -79.329 -19.095 1.00 0.00 C ATOM 1403 O GLN A 81 -46.383 -79.911 -18.794 1.00 0.00 O ATOM 1404 CB GLN A 81 -47.677 -76.970 -19.952 1.00 0.00 C ATOM 1405 CG GLN A 81 -48.308 -75.614 -19.630 1.00 0.00 C ATOM 1406 CD GLN A 81 -47.569 -74.482 -20.348 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -47.384 -74.494 -21.553 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -47.160 -73.507 -19.542 1.00 0.00 N ATOM 0 H GLN A 81 -46.925 -77.138 -16.875 1.00 0.00 H new ATOM 0 HA GLN A 81 -48.595 -77.774 -18.205 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -46.667 -76.823 -20.335 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -48.248 -77.463 -20.739 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -49.356 -75.616 -19.929 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -48.284 -75.444 -18.554 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -47.348 -73.560 -18.541 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -46.658 -72.706 -19.925 1.00 0.00 H new ATOM 1417 N ALA A 82 -48.430 -79.883 -19.755 1.00 0.00 N ATOM 1418 CA ALA A 82 -48.370 -81.270 -20.184 1.00 0.00 C ATOM 1419 C ALA A 82 -49.165 -81.432 -21.482 1.00 0.00 C ATOM 1420 O ALA A 82 -49.773 -80.479 -21.965 1.00 0.00 O ATOM 1421 CB ALA A 82 -48.890 -82.174 -19.065 1.00 0.00 C ATOM 0 H ALA A 82 -49.291 -79.397 -20.003 1.00 0.00 H new ATOM 0 HA ALA A 82 -47.341 -81.565 -20.388 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -48.845 -83.214 -19.387 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -48.274 -82.043 -18.175 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -49.922 -81.910 -18.834 1.00 0.00 H new ATOM 1427 N ASN A 83 -49.133 -82.647 -22.009 1.00 0.00 N ATOM 1428 CA ASN A 83 -49.843 -82.947 -23.241 1.00 0.00 C ATOM 1429 C ASN A 83 -50.437 -84.354 -23.153 1.00 0.00 C ATOM 1430 O ASN A 83 -49.760 -85.337 -23.450 1.00 0.00 O ATOM 1431 CB ASN A 83 -48.899 -82.907 -24.444 1.00 0.00 C ATOM 1432 CG ASN A 83 -47.696 -83.828 -24.229 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -47.098 -83.872 -23.166 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -47.376 -84.558 -25.293 1.00 0.00 N ATOM 0 H ASN A 83 -48.627 -83.435 -21.606 1.00 0.00 H new ATOM 0 HA ASN A 83 -50.625 -82.198 -23.370 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -49.437 -83.209 -25.343 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -48.555 -81.886 -24.607 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -46.588 -85.204 -25.250 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -47.919 -84.472 -26.152 1.00 0.00 H new ATOM 1441 N THR A 84 -51.696 -84.406 -22.744 1.00 0.00 N ATOM 1442 CA THR A 84 -52.389 -85.676 -22.613 1.00 0.00 C ATOM 1443 C THR A 84 -53.501 -85.787 -23.657 1.00 0.00 C ATOM 1444 O THR A 84 -54.675 -85.900 -23.309 1.00 0.00 O ATOM 1445 CB THR A 84 -52.894 -85.793 -21.173 1.00 0.00 C ATOM 1446 OG1 THR A 84 -53.594 -84.573 -20.950 1.00 0.00 O ATOM 1447 CG2 THR A 84 -51.757 -85.763 -20.150 1.00 0.00 C ATOM 0 H THR A 84 -52.254 -83.588 -22.499 1.00 0.00 H new ATOM 0 HA THR A 84 -51.719 -86.514 -22.807 1.00 0.00 H new ATOM 0 HB THR A 84 -53.459 -86.718 -21.061 1.00 0.00 H new ATOM 0 HG1 THR A 84 -53.956 -84.565 -20.039 1.00 0.00 H new ATOM 0 HG21 THR A 84 -52.170 -85.849 -19.145 1.00 0.00 H new ATOM 0 HG22 THR A 84 -51.078 -86.595 -20.336 1.00 0.00 H new ATOM 0 HG23 THR A 84 -51.212 -84.823 -20.239 1.00 0.00 H new ATOM 1455 N LEU A 85 -53.092 -85.751 -24.917 1.00 0.00 N ATOM 1456 CA LEU A 85 -54.039 -85.846 -26.015 1.00 0.00 C ATOM 1457 C LEU A 85 -53.628 -86.994 -26.939 1.00 0.00 C ATOM 1458 O LEU A 85 -54.258 -87.222 -27.971 1.00 0.00 O ATOM 1459 CB LEU A 85 -54.169 -84.499 -26.728 1.00 0.00 C ATOM 1460 CG LEU A 85 -52.907 -83.981 -27.420 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -53.142 -83.795 -28.921 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -52.404 -82.699 -26.756 1.00 0.00 C ATOM 0 H LEU A 85 -52.117 -85.657 -25.202 1.00 0.00 H new ATOM 0 HA LEU A 85 -55.035 -86.079 -25.640 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -54.961 -84.580 -27.473 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -54.491 -83.755 -26.000 1.00 0.00 H new ATOM 0 HG LEU A 85 -52.124 -84.730 -27.307 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -52.229 -83.426 -29.389 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -53.418 -84.750 -29.367 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -53.946 -83.076 -29.077 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -51.506 -82.352 -27.268 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -53.175 -81.931 -26.816 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -52.172 -82.898 -25.710 1.00 0.00 H new ATOM 1474 N VAL A 86 -52.573 -87.688 -26.536 1.00 0.00 N ATOM 1475 CA VAL A 86 -52.071 -88.806 -27.315 1.00 0.00 C ATOM 1476 C VAL A 86 -52.235 -90.097 -26.511 1.00 0.00 C ATOM 1477 O VAL A 86 -51.266 -90.821 -26.288 1.00 0.00 O ATOM 1478 CB VAL A 86 -50.623 -88.543 -27.735 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -50.120 -89.635 -28.681 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -50.479 -87.159 -28.370 1.00 0.00 C ATOM 0 H VAL A 86 -52.053 -87.497 -25.680 1.00 0.00 H new ATOM 0 HA VAL A 86 -52.646 -88.920 -28.234 1.00 0.00 H new ATOM 0 HB VAL A 86 -50.005 -88.566 -26.838 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -49.089 -89.424 -28.964 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -50.168 -90.602 -28.179 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -50.744 -89.658 -29.574 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -49.441 -86.998 -28.659 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -51.116 -87.096 -29.253 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -50.778 -86.396 -27.651 1.00 0.00 H new ATOM 1490 N ASP A 87 -53.469 -90.346 -26.097 1.00 0.00 N ATOM 1491 CA ASP A 87 -53.772 -91.537 -25.322 1.00 0.00 C ATOM 1492 C ASP A 87 -52.956 -91.519 -24.027 1.00 0.00 C ATOM 1493 O ASP A 87 -51.952 -92.220 -23.913 1.00 0.00 O ATOM 1494 CB ASP A 87 -53.405 -92.805 -26.095 1.00 0.00 C ATOM 1495 CG ASP A 87 -54.535 -93.397 -26.940 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -55.127 -92.709 -27.786 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -54.805 -94.635 -26.700 1.00 0.00 O ATOM 0 H ASP A 87 -54.270 -89.743 -26.284 1.00 0.00 H new ATOM 0 HA ASP A 87 -54.842 -91.540 -25.112 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -52.561 -92.583 -26.748 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -53.068 -93.561 -25.385 1.00 0.00 H new ATOM 1503 N LEU A 88 -53.419 -90.711 -23.085 1.00 0.00 N ATOM 1504 CA LEU A 88 -52.745 -90.593 -21.803 1.00 0.00 C ATOM 1505 C LEU A 88 -52.711 -91.963 -21.122 1.00 0.00 C ATOM 1506 O LEU A 88 -51.827 -92.235 -20.311 1.00 0.00 O ATOM 1507 CB LEU A 88 -53.396 -89.500 -20.954 1.00 0.00 C ATOM 1508 CG LEU A 88 -54.610 -89.927 -20.127 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -54.267 -89.983 -18.637 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -55.810 -89.019 -20.404 1.00 0.00 C ATOM 0 H LEU A 88 -54.253 -90.132 -23.184 1.00 0.00 H new ATOM 0 HA LEU A 88 -51.710 -90.281 -21.944 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -52.643 -89.097 -20.276 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -53.699 -88.687 -21.614 1.00 0.00 H new ATOM 0 HG LEU A 88 -54.892 -90.935 -20.431 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -55.148 -90.289 -18.072 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -53.464 -90.702 -18.475 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -53.945 -88.998 -18.301 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -56.659 -89.345 -19.803 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -55.556 -87.991 -20.146 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -56.071 -89.073 -21.461 1.00 0.00 H new ATOM 1522 N ALA A 89 -53.684 -92.789 -21.476 1.00 0.00 N ATOM 1523 CA ALA A 89 -53.776 -94.124 -20.909 1.00 0.00 C ATOM 1524 C ALA A 89 -54.919 -94.883 -21.587 1.00 0.00 C ATOM 1525 O ALA A 89 -56.046 -94.884 -21.094 1.00 0.00 O ATOM 1526 CB ALA A 89 -53.960 -94.023 -19.394 1.00 0.00 C ATOM 0 H ALA A 89 -54.416 -92.560 -22.149 1.00 0.00 H new ATOM 0 HA ALA A 89 -52.857 -94.682 -21.089 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -54.029 -95.024 -18.968 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -53.108 -93.501 -18.958 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -54.874 -93.472 -19.174 1.00 0.00 H new ATOM 1532 N LYS A 90 -54.588 -95.510 -22.706 1.00 0.00 N ATOM 1533 CA LYS A 90 -55.573 -96.272 -23.456 1.00 0.00 C ATOM 1534 C LYS A 90 -56.764 -95.370 -23.786 1.00 0.00 C ATOM 1535 O LYS A 90 -56.716 -94.163 -23.557 1.00 0.00 O ATOM 1536 CB LYS A 90 -55.956 -97.544 -22.698 1.00 0.00 C ATOM 1537 CG LYS A 90 -54.843 -98.590 -22.784 1.00 0.00 C ATOM 1538 CD LYS A 90 -54.915 -99.361 -24.103 1.00 0.00 C ATOM 1539 CE LYS A 90 -53.709-100.288 -24.263 1.00 0.00 C ATOM 1540 NZ LYS A 90 -52.498 -99.510 -24.608 1.00 0.00 N ATOM 0 H LYS A 90 -53.652 -95.506 -23.112 1.00 0.00 H new ATOM 0 HA LYS A 90 -55.154 -96.608 -24.405 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -56.154 -97.303 -21.653 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -56.878 -97.954 -23.111 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -53.873 -98.101 -22.697 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -54.926 -99.284 -21.948 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -55.834 -99.946 -24.137 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -54.952 -98.660 -24.937 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -53.542-100.840 -23.338 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -53.910-101.024 -25.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -51.738-100.160 -24.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -52.713 -98.862 -25.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -52.191 -98.961 -23.780 1.00 0.00 H new ATOM 1553 N THR A 91 -57.805 -95.992 -24.320 1.00 0.00 N ATOM 1554 CA THR A 91 -59.007 -95.261 -24.685 1.00 0.00 C ATOM 1555 C THR A 91 -60.015 -96.195 -25.358 1.00 0.00 C ATOM 1556 O THR A 91 -61.223 -96.035 -25.188 1.00 0.00 O ATOM 1557 CB THR A 91 -58.593 -94.079 -25.564 1.00 0.00 C ATOM 1558 OG1 THR A 91 -59.798 -93.695 -26.220 1.00 0.00 O ATOM 1559 CG2 THR A 91 -57.664 -94.496 -26.706 1.00 0.00 C ATOM 0 H THR A 91 -57.841 -96.994 -24.509 1.00 0.00 H new ATOM 0 HA THR A 91 -59.514 -94.867 -23.804 1.00 0.00 H new ATOM 0 HB THR A 91 -58.099 -93.326 -24.950 1.00 0.00 H new ATOM 0 HG1 THR A 91 -59.621 -92.933 -26.810 1.00 0.00 H new ATOM 0 HG21 THR A 91 -57.400 -93.620 -27.299 1.00 0.00 H new ATOM 0 HG22 THR A 91 -56.758 -94.941 -26.294 1.00 0.00 H new ATOM 0 HG23 THR A 91 -58.170 -95.224 -27.340 1.00 0.00 H new ATOM 1567 N GLN A 92 -59.482 -97.149 -26.106 1.00 0.00 N ATOM 1568 CA GLN A 92 -60.321 -98.108 -26.805 1.00 0.00 C ATOM 1569 C GLN A 92 -59.467 -99.004 -27.705 1.00 0.00 C ATOM 1570 O GLN A 92 -59.704-100.207 -27.794 1.00 0.00 O ATOM 1571 CB GLN A 92 -61.410 -97.399 -27.612 1.00 0.00 C ATOM 1572 CG GLN A 92 -60.830 -96.221 -28.398 1.00 0.00 C ATOM 1573 CD GLN A 92 -60.986 -96.436 -29.904 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -60.073 -96.857 -30.595 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -62.191 -96.126 -30.373 1.00 0.00 N ATOM 0 H GLN A 92 -58.480 -97.279 -26.244 1.00 0.00 H new ATOM 0 HA GLN A 92 -60.815 -98.736 -26.064 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -61.876 -98.105 -28.299 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -62.192 -97.043 -26.941 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -61.334 -95.300 -28.105 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -59.775 -96.099 -28.152 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -62.911 -95.778 -29.740 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -62.395 -96.236 -31.366 1.00 0.00 H new TER 1584 GLN A 92