USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1017 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 19 MET CE :methyl -160:sc= 0 (180deg=-0.0814) USER MOD Set 1.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 113 MET CE :methyl 166:sc= 0 (180deg=-0.0606) USER MOD Set 2.1: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 111 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Set 3.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 93 THR OG1 : rot -120:sc= 0 USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0 X(o=0.43,f=0.67) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 69 CYS SG : rot 6:sc= 0.433 USER MOD Set 5.1: A 2 SER OG : rot 28:sc= 0.0547 USER MOD Set 5.2: A 43 GLN : amide:sc= 0.081 K(o=0.14,f=-0.45) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -118:sc= 0.0156 (180deg=0) USER MOD Single : A 7 TYR OH : rot -30:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.975 X(o=-0.97,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.281 K(o=0.28,f=-4.3!) USER MOD Single : A 14 ASN : amide:sc= 0.109 X(o=0.11,f=-0.012) USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.62) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.352) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.182) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 73 THR OG1 : rot 66:sc= 1.13 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 89 ASN : amide:sc= 0.00198 X(o=0.002,f=-0.013) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0256 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0.025) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.686 -10.324 13.040 1.00 0.00 N ATOM 2 CA SER A 2 9.118 -10.589 14.367 1.00 0.00 C ATOM 3 C SER A 2 8.531 -9.280 14.947 1.00 0.00 C ATOM 4 O SER A 2 9.256 -8.317 15.219 1.00 0.00 O ATOM 5 CB SER A 2 10.179 -11.238 15.281 1.00 0.00 C ATOM 6 OG SER A 2 9.607 -11.606 16.532 1.00 0.00 O ATOM 0 HA SER A 2 8.298 -11.304 14.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.597 -12.119 14.793 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.002 -10.542 15.442 1.00 0.00 H new ATOM 0 HG SER A 2 8.652 -11.792 16.413 1.00 0.00 H new ATOM 12 N PHE A 3 7.204 -9.278 15.149 1.00 0.00 N ATOM 13 CA PHE A 3 6.445 -8.082 15.615 1.00 0.00 C ATOM 14 C PHE A 3 6.498 -7.718 17.132 1.00 0.00 C ATOM 15 O PHE A 3 5.870 -6.723 17.506 1.00 0.00 O ATOM 16 CB PHE A 3 4.966 -8.249 15.157 1.00 0.00 C ATOM 17 CG PHE A 3 4.704 -8.000 13.666 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.773 -6.699 13.157 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.389 -9.058 12.808 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.537 -6.461 11.805 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.151 -8.814 11.461 1.00 0.00 C ATOM 22 CZ PHE A 3 4.224 -7.517 10.961 1.00 0.00 C ATOM 0 H PHE A 3 6.618 -10.099 14.997 1.00 0.00 H new ATOM 0 HA PHE A 3 6.955 -7.234 15.157 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.640 -9.260 15.401 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.345 -7.565 15.736 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.010 -5.876 13.815 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.331 -10.066 13.192 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.598 -5.456 11.414 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.909 -9.633 10.800 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.037 -7.332 9.914 1.00 0.00 H new ATOM 32 N SER A 4 7.238 -8.436 18.003 1.00 0.00 N ATOM 33 CA SER A 4 7.360 -8.066 19.437 1.00 0.00 C ATOM 34 C SER A 4 8.413 -6.935 19.617 1.00 0.00 C ATOM 35 O SER A 4 9.585 -7.100 19.266 1.00 0.00 O ATOM 36 CB SER A 4 7.707 -9.321 20.266 1.00 0.00 C ATOM 37 OG SER A 4 7.698 -9.028 21.658 1.00 0.00 O ATOM 0 H SER A 4 7.760 -9.273 17.744 1.00 0.00 H new ATOM 0 HA SER A 4 6.409 -7.677 19.800 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.989 -10.113 20.052 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.689 -9.694 19.975 1.00 0.00 H new ATOM 0 HG SER A 4 7.919 -9.838 22.164 1.00 0.00 H new ATOM 43 N GLY A 5 7.961 -5.792 20.154 1.00 0.00 N ATOM 44 CA GLY A 5 8.820 -4.605 20.345 1.00 0.00 C ATOM 45 C GLY A 5 8.023 -3.314 20.628 1.00 0.00 C ATOM 46 O GLY A 5 6.816 -3.219 20.381 1.00 0.00 O ATOM 0 H GLY A 5 6.999 -5.661 20.467 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.505 -4.790 21.173 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.430 -4.459 19.453 1.00 0.00 H new ATOM 50 N LYS A 6 8.756 -2.294 21.106 1.00 0.00 N ATOM 51 CA LYS A 6 8.223 -0.918 21.273 1.00 0.00 C ATOM 52 C LYS A 6 8.599 -0.097 20.009 1.00 0.00 C ATOM 53 O LYS A 6 9.778 0.167 19.756 1.00 0.00 O ATOM 54 CB LYS A 6 8.784 -0.312 22.586 1.00 0.00 C ATOM 55 CG LYS A 6 8.176 1.062 22.944 1.00 0.00 C ATOM 56 CD LYS A 6 8.656 1.661 24.285 1.00 0.00 C ATOM 57 CE LYS A 6 8.092 1.010 25.565 1.00 0.00 C ATOM 58 NZ LYS A 6 6.652 1.271 25.761 1.00 0.00 N ATOM 0 H LYS A 6 9.731 -2.392 21.388 1.00 0.00 H new ATOM 0 HA LYS A 6 7.137 -0.910 21.363 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.598 -1.007 23.405 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.865 -0.209 22.495 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.411 1.765 22.145 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.091 0.965 22.975 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.744 1.596 24.319 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.399 2.720 24.298 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.257 -0.066 25.521 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.644 1.382 26.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.513 1.802 26.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.288 1.827 24.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.140 0.368 25.816 1.00 0.00 H new ATOM 72 N TYR A 7 7.576 0.295 19.233 1.00 0.00 N ATOM 73 CA TYR A 7 7.754 0.995 17.933 1.00 0.00 C ATOM 74 C TYR A 7 7.246 2.447 18.122 1.00 0.00 C ATOM 75 O TYR A 7 6.046 2.725 18.023 1.00 0.00 O ATOM 76 CB TYR A 7 7.027 0.271 16.764 1.00 0.00 C ATOM 77 CG TYR A 7 7.419 -1.199 16.504 1.00 0.00 C ATOM 78 CD1 TYR A 7 6.770 -2.225 17.202 1.00 0.00 C ATOM 79 CD2 TYR A 7 8.405 -1.528 15.568 1.00 0.00 C ATOM 80 CE1 TYR A 7 7.131 -3.552 16.997 1.00 0.00 C ATOM 81 CE2 TYR A 7 8.747 -2.861 15.346 1.00 0.00 C ATOM 82 CZ TYR A 7 8.122 -3.872 16.075 1.00 0.00 C ATOM 83 OH TYR A 7 8.496 -5.179 15.907 1.00 0.00 O ATOM 0 H TYR A 7 6.599 0.140 19.481 1.00 0.00 H new ATOM 0 HA TYR A 7 8.807 0.994 17.652 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.955 0.308 16.956 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.206 0.837 15.850 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.985 -1.984 17.903 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.904 -0.746 15.015 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.641 -4.336 17.555 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.496 -3.111 14.609 1.00 0.00 H new ATOM 0 HH TYR A 7 8.376 -5.665 16.750 1.00 0.00 H new ATOM 93 N GLN A 8 8.178 3.366 18.419 1.00 0.00 N ATOM 94 CA GLN A 8 7.851 4.776 18.750 1.00 0.00 C ATOM 95 C GLN A 8 7.643 5.588 17.440 1.00 0.00 C ATOM 96 O GLN A 8 8.496 5.567 16.547 1.00 0.00 O ATOM 97 CB GLN A 8 8.994 5.352 19.639 1.00 0.00 C ATOM 98 CG GLN A 8 8.598 6.462 20.639 1.00 0.00 C ATOM 99 CD GLN A 8 8.094 7.778 20.022 1.00 0.00 C ATOM 100 OE1 GLN A 8 8.817 8.466 19.301 1.00 0.00 O ATOM 101 NE2 GLN A 8 6.850 8.147 20.282 1.00 0.00 N ATOM 0 H GLN A 8 9.177 3.162 18.439 1.00 0.00 H new ATOM 0 HA GLN A 8 6.919 4.842 19.312 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.437 4.529 20.200 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.771 5.745 18.983 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.821 6.071 21.296 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.462 6.685 21.265 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.261 7.568 20.881 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.480 9.010 19.884 1.00 0.00 H new ATOM 110 N LEU A 9 6.506 6.305 17.345 1.00 0.00 N ATOM 111 CA LEU A 9 6.113 7.058 16.122 1.00 0.00 C ATOM 112 C LEU A 9 7.068 8.246 15.812 1.00 0.00 C ATOM 113 O LEU A 9 7.157 9.217 16.567 1.00 0.00 O ATOM 114 CB LEU A 9 4.633 7.508 16.266 1.00 0.00 C ATOM 115 CG LEU A 9 3.976 8.237 15.059 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.843 7.346 13.810 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.593 8.778 15.471 1.00 0.00 C ATOM 0 H LEU A 9 5.832 6.383 18.107 1.00 0.00 H new ATOM 0 HA LEU A 9 6.203 6.397 15.260 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.035 6.625 16.490 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.566 8.167 17.132 1.00 0.00 H new ATOM 0 HG LEU A 9 4.638 9.058 14.785 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.377 7.915 13.005 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.831 7.013 13.494 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.226 6.479 14.046 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.135 9.288 14.624 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.957 7.950 15.783 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.708 9.479 16.298 1.00 0.00 H new ATOM 129 N GLN A 10 7.747 8.135 14.662 1.00 0.00 N ATOM 130 CA GLN A 10 8.647 9.181 14.121 1.00 0.00 C ATOM 131 C GLN A 10 7.851 10.298 13.380 1.00 0.00 C ATOM 132 O GLN A 10 7.909 11.454 13.813 1.00 0.00 O ATOM 133 CB GLN A 10 9.698 8.443 13.248 1.00 0.00 C ATOM 134 CG GLN A 10 10.855 9.305 12.702 1.00 0.00 C ATOM 135 CD GLN A 10 11.769 8.479 11.786 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.598 8.445 10.568 1.00 0.00 O ATOM 137 NE2 GLN A 10 12.725 7.763 12.357 1.00 0.00 N ATOM 0 H GLN A 10 7.691 7.308 14.068 1.00 0.00 H new ATOM 0 HA GLN A 10 9.165 9.726 14.910 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.124 7.631 13.838 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.182 7.987 12.403 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.452 10.154 12.150 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.435 9.710 13.531 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.856 7.801 13.368 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.331 7.174 11.786 1.00 0.00 H new ATOM 146 N SER A 11 7.128 9.966 12.287 1.00 0.00 N ATOM 147 CA SER A 11 6.340 10.949 11.505 1.00 0.00 C ATOM 148 C SER A 11 5.095 10.238 10.912 1.00 0.00 C ATOM 149 O SER A 11 5.216 9.263 10.165 1.00 0.00 O ATOM 150 CB SER A 11 7.212 11.577 10.391 1.00 0.00 C ATOM 151 OG SER A 11 6.493 12.581 9.684 1.00 0.00 O ATOM 0 H SER A 11 7.073 9.015 11.923 1.00 0.00 H new ATOM 0 HA SER A 11 6.009 11.759 12.155 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.111 12.010 10.829 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.537 10.801 9.698 1.00 0.00 H new ATOM 0 HG SER A 11 7.066 12.964 8.987 1.00 0.00 H new ATOM 157 N GLN A 12 3.905 10.782 11.219 1.00 0.00 N ATOM 158 CA GLN A 12 2.627 10.370 10.586 1.00 0.00 C ATOM 159 C GLN A 12 2.245 11.343 9.426 1.00 0.00 C ATOM 160 O GLN A 12 2.506 12.551 9.477 1.00 0.00 O ATOM 161 CB GLN A 12 1.499 10.182 11.639 1.00 0.00 C ATOM 162 CG GLN A 12 0.920 11.421 12.367 1.00 0.00 C ATOM 163 CD GLN A 12 1.635 11.908 13.645 1.00 0.00 C ATOM 164 OE1 GLN A 12 2.849 12.109 13.687 1.00 0.00 O ATOM 165 NE2 GLN A 12 0.893 12.135 14.719 1.00 0.00 N ATOM 0 H GLN A 12 3.795 11.521 11.913 1.00 0.00 H new ATOM 0 HA GLN A 12 2.765 9.389 10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.670 9.678 11.143 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.875 9.501 12.402 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.903 12.248 11.657 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.116 11.203 12.626 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.113 11.970 14.688 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.328 12.475 15.577 1.00 0.00 H new ATOM 174 N GLU A 13 1.605 10.786 8.386 1.00 0.00 N ATOM 175 CA GLU A 13 1.264 11.527 7.138 1.00 0.00 C ATOM 176 C GLU A 13 -0.029 12.394 7.251 1.00 0.00 C ATOM 177 O GLU A 13 0.033 13.587 6.939 1.00 0.00 O ATOM 178 CB GLU A 13 1.224 10.512 5.960 1.00 0.00 C ATOM 179 CG GLU A 13 1.148 11.131 4.547 1.00 0.00 C ATOM 180 CD GLU A 13 1.150 10.083 3.428 1.00 0.00 C ATOM 181 OE1 GLU A 13 2.172 9.381 3.255 1.00 0.00 O ATOM 182 OE2 GLU A 13 0.133 9.962 2.709 1.00 0.00 O ATOM 0 H GLU A 13 1.305 9.811 8.376 1.00 0.00 H new ATOM 0 HA GLU A 13 2.042 12.266 6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.113 9.884 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.363 9.858 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.243 11.734 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.993 11.805 4.407 1.00 0.00 H new ATOM 189 N ASN A 14 -1.178 11.802 7.637 1.00 0.00 N ATOM 190 CA ASN A 14 -2.492 12.496 7.636 1.00 0.00 C ATOM 191 C ASN A 14 -3.226 12.202 8.972 1.00 0.00 C ATOM 192 O ASN A 14 -4.155 11.392 9.022 1.00 0.00 O ATOM 193 CB ASN A 14 -3.326 12.066 6.389 1.00 0.00 C ATOM 194 CG ASN A 14 -2.951 12.764 5.065 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.891 13.991 4.981 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.719 12.010 4.003 1.00 0.00 N ATOM 0 H ASN A 14 -1.226 10.835 7.957 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.350 13.574 7.564 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.218 10.990 6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.379 12.257 6.595 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.489 12.445 3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.770 10.994 4.078 1.00 0.00 H new ATOM 203 N PHE A 15 -2.835 12.907 10.052 1.00 0.00 N ATOM 204 CA PHE A 15 -3.624 12.941 11.320 1.00 0.00 C ATOM 205 C PHE A 15 -4.871 13.878 11.226 1.00 0.00 C ATOM 206 O PHE A 15 -5.974 13.443 11.565 1.00 0.00 O ATOM 207 CB PHE A 15 -2.715 13.278 12.540 1.00 0.00 C ATOM 208 CG PHE A 15 -3.240 12.741 13.888 1.00 0.00 C ATOM 209 CD1 PHE A 15 -4.180 13.461 14.635 1.00 0.00 C ATOM 210 CD2 PHE A 15 -2.790 11.505 14.368 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.654 12.954 15.843 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.267 11.002 15.575 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.199 11.725 16.311 1.00 0.00 C ATOM 0 H PHE A 15 -1.980 13.463 10.081 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.020 11.938 11.479 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.720 12.869 12.362 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.607 14.360 12.610 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.539 14.413 14.273 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.068 10.938 13.798 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.376 13.516 16.417 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.913 10.049 15.940 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.570 11.333 17.246 1.00 0.00 H new ATOM 223 N GLU A 16 -4.712 15.140 10.765 1.00 0.00 N ATOM 224 CA GLU A 16 -5.833 16.113 10.613 1.00 0.00 C ATOM 225 C GLU A 16 -6.972 15.676 9.641 1.00 0.00 C ATOM 226 O GLU A 16 -8.140 15.736 10.030 1.00 0.00 O ATOM 227 CB GLU A 16 -5.301 17.522 10.229 1.00 0.00 C ATOM 228 CG GLU A 16 -4.452 18.210 11.317 1.00 0.00 C ATOM 229 CD GLU A 16 -3.990 19.615 10.926 1.00 0.00 C ATOM 230 OE1 GLU A 16 -2.899 19.747 10.327 1.00 0.00 O ATOM 231 OE2 GLU A 16 -4.710 20.594 11.222 1.00 0.00 O ATOM 0 H GLU A 16 -3.806 15.518 10.487 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.299 16.146 11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.703 17.435 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.150 18.163 9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.032 18.269 12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.578 17.594 11.530 1.00 0.00 H new ATOM 238 N ALA A 17 -6.639 15.234 8.410 1.00 0.00 N ATOM 239 CA ALA A 17 -7.641 14.757 7.420 1.00 0.00 C ATOM 240 C ALA A 17 -8.336 13.408 7.761 1.00 0.00 C ATOM 241 O ALA A 17 -9.557 13.315 7.610 1.00 0.00 O ATOM 242 CB ALA A 17 -6.980 14.713 6.030 1.00 0.00 C ATOM 0 H ALA A 17 -5.678 15.196 8.072 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.461 15.475 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.704 14.365 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.638 15.712 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.129 14.032 6.053 1.00 0.00 H new ATOM 248 N PHE A 18 -7.585 12.383 8.212 1.00 0.00 N ATOM 249 CA PHE A 18 -8.141 11.044 8.557 1.00 0.00 C ATOM 250 C PHE A 18 -9.086 11.053 9.792 1.00 0.00 C ATOM 251 O PHE A 18 -10.192 10.519 9.692 1.00 0.00 O ATOM 252 CB PHE A 18 -6.952 10.057 8.720 1.00 0.00 C ATOM 253 CG PHE A 18 -7.303 8.565 8.839 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.510 7.993 10.100 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.341 7.750 7.701 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.744 6.627 10.222 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.566 6.382 7.830 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.764 5.824 9.087 1.00 0.00 C ATOM 0 H PHE A 18 -6.577 12.452 8.350 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.788 10.716 7.743 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.286 10.183 7.866 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.390 10.346 9.608 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.488 8.615 10.982 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.196 8.183 6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.910 6.191 11.196 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.587 5.754 6.952 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.934 4.762 9.183 1.00 0.00 H new ATOM 268 N MET A 19 -8.652 11.645 10.925 1.00 0.00 N ATOM 269 CA MET A 19 -9.468 11.725 12.170 1.00 0.00 C ATOM 270 C MET A 19 -10.737 12.629 12.057 1.00 0.00 C ATOM 271 O MET A 19 -11.800 12.222 12.530 1.00 0.00 O ATOM 272 CB MET A 19 -8.609 12.137 13.393 1.00 0.00 C ATOM 273 CG MET A 19 -7.361 11.297 13.710 1.00 0.00 C ATOM 274 SD MET A 19 -7.733 9.536 13.779 1.00 0.00 S ATOM 275 CE MET A 19 -6.047 8.898 13.875 1.00 0.00 C ATOM 0 H MET A 19 -7.733 12.080 11.010 1.00 0.00 H new ATOM 0 HA MET A 19 -9.839 10.711 12.322 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.289 13.169 13.245 1.00 0.00 H new ATOM 0 HB3 MET A 19 -9.252 12.126 14.273 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.600 11.477 12.951 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.941 11.617 14.664 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.037 7.851 13.573 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.402 9.474 13.211 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.683 8.984 14.899 1.00 0.00 H new ATOM 285 N LYS A 20 -10.649 13.808 11.403 1.00 0.00 N ATOM 286 CA LYS A 20 -11.834 14.632 11.026 1.00 0.00 C ATOM 287 C LYS A 20 -12.874 13.923 10.095 1.00 0.00 C ATOM 288 O LYS A 20 -14.077 14.049 10.342 1.00 0.00 O ATOM 289 CB LYS A 20 -11.311 15.963 10.416 1.00 0.00 C ATOM 290 CG LYS A 20 -12.369 17.073 10.226 1.00 0.00 C ATOM 291 CD LYS A 20 -11.820 18.447 9.775 1.00 0.00 C ATOM 292 CE LYS A 20 -11.307 18.559 8.323 1.00 0.00 C ATOM 293 NZ LYS A 20 -9.952 18.007 8.126 1.00 0.00 N ATOM 0 H LYS A 20 -9.760 14.220 11.119 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.410 14.816 11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.518 16.348 11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.861 15.746 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.098 16.734 9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.903 17.206 11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.608 19.188 9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.004 18.721 10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.000 18.040 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.309 19.608 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.475 18.523 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.405 18.108 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.020 17.000 7.875 1.00 0.00 H new ATOM 307 N ALA A 21 -12.421 13.191 9.053 1.00 0.00 N ATOM 308 CA ALA A 21 -13.316 12.465 8.112 1.00 0.00 C ATOM 309 C ALA A 21 -14.104 11.258 8.701 1.00 0.00 C ATOM 310 O ALA A 21 -15.300 11.132 8.418 1.00 0.00 O ATOM 311 CB ALA A 21 -12.500 12.048 6.875 1.00 0.00 C ATOM 0 H ALA A 21 -11.430 13.084 8.837 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.106 13.169 7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.145 11.514 6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.096 12.936 6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.681 11.398 7.182 1.00 0.00 H new ATOM 317 N ILE A 22 -13.466 10.404 9.527 1.00 0.00 N ATOM 318 CA ILE A 22 -14.166 9.323 10.290 1.00 0.00 C ATOM 319 C ILE A 22 -15.145 9.851 11.400 1.00 0.00 C ATOM 320 O ILE A 22 -16.247 9.309 11.519 1.00 0.00 O ATOM 321 CB ILE A 22 -13.169 8.220 10.805 1.00 0.00 C ATOM 322 CG1 ILE A 22 -12.159 8.734 11.875 1.00 0.00 C ATOM 323 CG2 ILE A 22 -12.471 7.481 9.632 1.00 0.00 C ATOM 324 CD1 ILE A 22 -11.145 7.720 12.424 1.00 0.00 C ATOM 0 H ILE A 22 -12.460 10.434 9.691 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.822 8.833 9.571 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.782 7.487 11.329 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.604 9.567 11.444 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.729 9.131 12.715 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.791 6.728 10.030 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.223 6.998 9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.909 8.198 9.034 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.504 8.208 13.158 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.676 6.894 12.897 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.534 7.337 11.606 1.00 0.00 H new ATOM 336 N GLY A 23 -14.753 10.882 12.182 1.00 0.00 N ATOM 337 CA GLY A 23 -15.621 11.507 13.208 1.00 0.00 C ATOM 338 C GLY A 23 -14.989 11.570 14.615 1.00 0.00 C ATOM 339 O GLY A 23 -15.462 10.884 15.525 1.00 0.00 O ATOM 0 H GLY A 23 -13.827 11.305 12.120 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.872 12.518 12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.556 10.950 13.266 1.00 0.00 H new ATOM 343 N LEU A 24 -13.968 12.429 14.792 1.00 0.00 N ATOM 344 CA LEU A 24 -13.403 12.787 16.127 1.00 0.00 C ATOM 345 C LEU A 24 -13.711 14.292 16.460 1.00 0.00 C ATOM 346 O LEU A 24 -13.832 15.102 15.532 1.00 0.00 O ATOM 347 CB LEU A 24 -11.856 12.555 16.162 1.00 0.00 C ATOM 348 CG LEU A 24 -11.299 11.135 16.456 1.00 0.00 C ATOM 349 CD1 LEU A 24 -11.614 10.628 17.877 1.00 0.00 C ATOM 350 CD2 LEU A 24 -11.678 10.093 15.396 1.00 0.00 C ATOM 0 H LEU A 24 -13.503 12.901 14.017 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.871 12.144 16.872 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.457 12.868 15.197 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.442 13.229 16.912 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.218 11.261 16.400 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.194 9.631 18.009 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.177 11.306 18.610 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.694 10.588 18.018 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.254 9.126 15.668 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.763 10.010 15.339 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.286 10.401 14.427 1.00 0.00 H new ATOM 362 N PRO A 25 -13.777 14.745 17.751 1.00 0.00 N ATOM 363 CA PRO A 25 -13.835 16.191 18.099 1.00 0.00 C ATOM 364 C PRO A 25 -12.487 16.937 17.848 1.00 0.00 C ATOM 365 O PRO A 25 -11.410 16.339 17.923 1.00 0.00 O ATOM 366 CB PRO A 25 -14.210 16.143 19.595 1.00 0.00 C ATOM 367 CG PRO A 25 -13.628 14.830 20.120 1.00 0.00 C ATOM 368 CD PRO A 25 -13.746 13.865 18.939 1.00 0.00 C ATOM 0 HA PRO A 25 -14.540 16.752 17.485 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.797 16.998 20.131 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.291 16.175 19.730 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.591 14.951 20.432 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.181 14.468 20.986 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.902 13.176 18.902 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.649 13.259 19.009 1.00 0.00 H new ATOM 376 N GLU A 26 -12.563 18.259 17.598 1.00 0.00 N ATOM 377 CA GLU A 26 -11.355 19.127 17.423 1.00 0.00 C ATOM 378 C GLU A 26 -10.342 19.176 18.620 1.00 0.00 C ATOM 379 O GLU A 26 -9.147 19.374 18.383 1.00 0.00 O ATOM 380 CB GLU A 26 -11.824 20.541 16.979 1.00 0.00 C ATOM 381 CG GLU A 26 -10.717 21.425 16.360 1.00 0.00 C ATOM 382 CD GLU A 26 -11.236 22.778 15.867 1.00 0.00 C ATOM 383 OE1 GLU A 26 -11.652 22.875 14.692 1.00 0.00 O ATOM 384 OE2 GLU A 26 -11.229 23.752 16.654 1.00 0.00 O ATOM 0 H GLU A 26 -13.446 18.762 17.510 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.751 18.655 16.648 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.630 20.430 16.253 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.242 21.058 17.843 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.935 21.590 17.101 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.258 20.893 15.527 1.00 0.00 H new ATOM 391 N GLU A 27 -10.788 18.931 19.873 1.00 0.00 N ATOM 392 CA GLU A 27 -9.900 18.629 21.030 1.00 0.00 C ATOM 393 C GLU A 27 -8.913 17.442 20.774 1.00 0.00 C ATOM 394 O GLU A 27 -7.704 17.664 20.818 1.00 0.00 O ATOM 395 CB GLU A 27 -10.810 18.452 22.283 1.00 0.00 C ATOM 396 CG GLU A 27 -10.111 18.352 23.659 1.00 0.00 C ATOM 397 CD GLU A 27 -9.544 16.967 24.006 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.332 16.064 24.361 1.00 0.00 O ATOM 399 OE2 GLU A 27 -8.312 16.777 23.920 1.00 0.00 O ATOM 0 H GLU A 27 -11.779 18.936 20.116 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.217 19.461 21.200 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.504 19.292 22.317 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.407 17.551 22.142 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.298 19.078 23.689 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.824 18.639 24.432 1.00 0.00 H new ATOM 406 N LEU A 28 -9.412 16.221 20.492 1.00 0.00 N ATOM 407 CA LEU A 28 -8.551 15.021 20.262 1.00 0.00 C ATOM 408 C LEU A 28 -7.760 14.989 18.914 1.00 0.00 C ATOM 409 O LEU A 28 -6.648 14.450 18.904 1.00 0.00 O ATOM 410 CB LEU A 28 -9.395 13.722 20.431 1.00 0.00 C ATOM 411 CG LEU A 28 -10.004 13.459 21.841 1.00 0.00 C ATOM 412 CD1 LEU A 28 -10.962 12.255 21.809 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.922 13.247 22.921 1.00 0.00 C ATOM 0 H LEU A 28 -10.411 16.030 20.416 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.774 15.086 21.024 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.211 13.750 19.708 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.766 12.871 20.168 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.564 14.355 22.110 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.374 12.091 22.805 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.773 12.454 21.109 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.418 11.366 21.491 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.400 13.068 23.884 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.307 12.387 22.656 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.295 14.136 22.987 1.00 0.00 H new ATOM 425 N ILE A 29 -8.281 15.565 17.806 1.00 0.00 N ATOM 426 CA ILE A 29 -7.530 15.733 16.521 1.00 0.00 C ATOM 427 C ILE A 29 -6.258 16.638 16.707 1.00 0.00 C ATOM 428 O ILE A 29 -5.146 16.180 16.436 1.00 0.00 O ATOM 429 CB ILE A 29 -8.447 16.232 15.341 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.764 15.426 15.127 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.672 16.273 13.993 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.871 16.178 14.372 1.00 0.00 C ATOM 0 H ILE A 29 -9.233 15.929 17.768 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.181 14.741 16.232 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.739 17.233 15.657 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.528 14.513 14.581 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.150 15.124 16.101 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.336 16.622 13.202 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.824 16.953 14.081 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.312 15.273 13.750 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.746 15.535 14.273 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.142 17.077 14.925 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.511 16.456 13.381 1.00 0.00 H new ATOM 444 N GLN A 30 -6.429 17.903 17.148 1.00 0.00 N ATOM 445 CA GLN A 30 -5.307 18.879 17.290 1.00 0.00 C ATOM 446 C GLN A 30 -4.335 18.644 18.493 1.00 0.00 C ATOM 447 O GLN A 30 -3.159 19.006 18.392 1.00 0.00 O ATOM 448 CB GLN A 30 -5.849 20.340 17.334 1.00 0.00 C ATOM 449 CG GLN A 30 -6.846 20.813 16.244 1.00 0.00 C ATOM 450 CD GLN A 30 -6.315 20.826 14.801 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.573 21.722 14.401 1.00 0.00 O ATOM 452 NE2 GLN A 30 -6.706 19.859 13.986 1.00 0.00 N ATOM 0 H GLN A 30 -7.337 18.282 17.416 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.702 18.710 16.400 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.330 20.482 18.302 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.989 21.009 17.304 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.725 20.169 16.280 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.178 21.820 16.496 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.321 19.121 14.328 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.392 19.852 13.016 1.00 0.00 H new ATOM 461 N LYS A 31 -4.797 18.045 19.608 1.00 0.00 N ATOM 462 CA LYS A 31 -3.914 17.573 20.713 1.00 0.00 C ATOM 463 C LYS A 31 -3.086 16.294 20.349 1.00 0.00 C ATOM 464 O LYS A 31 -1.883 16.264 20.621 1.00 0.00 O ATOM 465 CB LYS A 31 -4.790 17.391 21.983 1.00 0.00 C ATOM 466 CG LYS A 31 -4.025 17.432 23.321 1.00 0.00 C ATOM 467 CD LYS A 31 -4.936 17.218 24.552 1.00 0.00 C ATOM 468 CE LYS A 31 -5.172 15.750 24.960 1.00 0.00 C ATOM 469 NZ LYS A 31 -4.005 15.173 25.657 1.00 0.00 N ATOM 0 H LYS A 31 -5.788 17.871 19.776 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.149 18.326 20.903 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.551 18.171 21.994 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.312 16.437 21.911 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.251 16.665 23.313 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.520 18.394 23.414 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.500 17.746 25.400 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.902 17.680 24.351 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.047 15.690 25.608 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.392 15.158 24.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.207 14.185 25.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.175 15.206 25.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.810 15.721 26.519 1.00 0.00 H new ATOM 483 N GLY A 32 -3.710 15.274 19.723 1.00 0.00 N ATOM 484 CA GLY A 32 -3.002 14.067 19.227 1.00 0.00 C ATOM 485 C GLY A 32 -2.073 14.184 17.990 1.00 0.00 C ATOM 486 O GLY A 32 -1.250 13.283 17.803 1.00 0.00 O ATOM 0 H GLY A 32 -4.714 15.260 19.546 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.403 13.678 20.050 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.757 13.315 18.999 1.00 0.00 H new ATOM 490 N LYS A 33 -2.174 15.242 17.152 1.00 0.00 N ATOM 491 CA LYS A 33 -1.206 15.491 16.041 1.00 0.00 C ATOM 492 C LYS A 33 0.239 15.852 16.520 1.00 0.00 C ATOM 493 O LYS A 33 1.208 15.264 16.031 1.00 0.00 O ATOM 494 CB LYS A 33 -1.774 16.453 14.960 1.00 0.00 C ATOM 495 CG LYS A 33 -1.850 17.953 15.316 1.00 0.00 C ATOM 496 CD LYS A 33 -2.501 18.813 14.218 1.00 0.00 C ATOM 497 CE LYS A 33 -2.537 20.324 14.511 1.00 0.00 C ATOM 498 NZ LYS A 33 -1.207 20.960 14.474 1.00 0.00 N ATOM 0 H LYS A 33 -2.914 15.941 17.219 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.080 14.530 15.543 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.164 16.350 14.063 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.778 16.116 14.703 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.415 18.070 16.241 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.843 18.324 15.508 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.962 18.652 13.284 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.522 18.464 14.061 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.185 20.812 13.783 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.982 20.486 15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.302 21.975 14.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.591 20.519 15.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.789 20.835 13.530 1.00 0.00 H new ATOM 512 N ASP A 34 0.362 16.778 17.496 1.00 0.00 N ATOM 513 CA ASP A 34 1.635 17.073 18.204 1.00 0.00 C ATOM 514 C ASP A 34 2.143 15.905 19.111 1.00 0.00 C ATOM 515 O ASP A 34 3.341 15.609 19.073 1.00 0.00 O ATOM 516 CB ASP A 34 1.433 18.402 18.986 1.00 0.00 C ATOM 517 CG ASP A 34 2.706 19.007 19.595 1.00 0.00 C ATOM 518 OD1 ASP A 34 3.466 19.682 18.866 1.00 0.00 O ATOM 519 OD2 ASP A 34 2.951 18.804 20.805 1.00 0.00 O ATOM 0 H ASP A 34 -0.421 17.347 17.819 1.00 0.00 H new ATOM 0 HA ASP A 34 2.434 17.183 17.471 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.988 19.136 18.314 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.715 18.227 19.787 1.00 0.00 H new ATOM 524 N ILE A 35 1.262 15.260 19.913 1.00 0.00 N ATOM 525 CA ILE A 35 1.659 14.197 20.878 1.00 0.00 C ATOM 526 C ILE A 35 1.752 12.854 20.082 1.00 0.00 C ATOM 527 O ILE A 35 0.741 12.258 19.694 1.00 0.00 O ATOM 528 CB ILE A 35 0.708 14.133 22.129 1.00 0.00 C ATOM 529 CG1 ILE A 35 0.577 15.501 22.874 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.173 13.037 23.128 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.524 15.582 23.944 1.00 0.00 C ATOM 0 H ILE A 35 0.261 15.458 19.912 1.00 0.00 H new ATOM 0 HA ILE A 35 2.634 14.420 21.312 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.278 13.880 21.740 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.533 15.728 23.346 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.395 16.280 22.133 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.498 13.014 23.983 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.164 12.066 22.633 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.184 13.261 23.469 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.522 16.575 24.394 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.494 15.394 23.483 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.338 14.834 24.715 1.00 0.00 H new ATOM 543 N LYS A 36 3.001 12.411 19.865 1.00 0.00 N ATOM 544 CA LYS A 36 3.336 11.203 19.066 1.00 0.00 C ATOM 545 C LYS A 36 3.039 9.882 19.838 1.00 0.00 C ATOM 546 O LYS A 36 3.467 9.704 20.985 1.00 0.00 O ATOM 547 CB LYS A 36 4.806 11.304 18.561 1.00 0.00 C ATOM 548 CG LYS A 36 5.918 11.560 19.613 1.00 0.00 C ATOM 549 CD LYS A 36 7.329 11.700 19.002 1.00 0.00 C ATOM 550 CE LYS A 36 8.459 11.923 20.026 1.00 0.00 C ATOM 551 NZ LYS A 36 8.421 13.256 20.659 1.00 0.00 N ATOM 0 H LYS A 36 3.823 12.883 20.241 1.00 0.00 H new ATOM 0 HA LYS A 36 2.685 11.166 18.192 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.045 10.377 18.040 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.852 12.105 17.823 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.680 12.468 20.167 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.922 10.740 20.331 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.551 10.801 18.427 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.324 12.534 18.300 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.393 11.159 20.801 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.420 11.792 19.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.206 13.341 21.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.513 13.990 19.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.518 13.377 21.160 1.00 0.00 H new ATOM 565 N GLY A 37 2.279 8.976 19.193 1.00 0.00 N ATOM 566 CA GLY A 37 1.760 7.754 19.844 1.00 0.00 C ATOM 567 C GLY A 37 2.749 6.574 19.886 1.00 0.00 C ATOM 568 O GLY A 37 3.319 6.192 18.861 1.00 0.00 O ATOM 0 H GLY A 37 2.008 9.068 18.214 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.466 8.000 20.864 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.858 7.436 19.321 1.00 0.00 H new ATOM 572 N VAL A 38 2.915 5.981 21.080 1.00 0.00 N ATOM 573 CA VAL A 38 3.874 4.859 21.305 1.00 0.00 C ATOM 574 C VAL A 38 3.118 3.530 20.991 1.00 0.00 C ATOM 575 O VAL A 38 2.221 3.128 21.741 1.00 0.00 O ATOM 576 CB VAL A 38 4.477 4.882 22.755 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.567 3.800 22.947 1.00 0.00 C ATOM 578 CG2 VAL A 38 5.083 6.242 23.184 1.00 0.00 C ATOM 0 H VAL A 38 2.399 6.254 21.916 1.00 0.00 H new ATOM 0 HA VAL A 38 4.734 4.958 20.643 1.00 0.00 H new ATOM 0 HB VAL A 38 3.613 4.683 23.389 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.956 3.852 23.964 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.136 2.814 22.774 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.378 3.971 22.239 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.474 6.162 24.198 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.891 6.511 22.503 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.311 7.011 23.153 1.00 0.00 H new ATOM 588 N SER A 39 3.499 2.867 19.883 1.00 0.00 N ATOM 589 CA SER A 39 2.848 1.613 19.422 1.00 0.00 C ATOM 590 C SER A 39 3.645 0.379 19.920 1.00 0.00 C ATOM 591 O SER A 39 4.630 -0.026 19.295 1.00 0.00 O ATOM 592 CB SER A 39 2.739 1.645 17.881 1.00 0.00 C ATOM 593 OG SER A 39 2.086 0.481 17.385 1.00 0.00 O ATOM 0 H SER A 39 4.261 3.178 19.281 1.00 0.00 H new ATOM 0 HA SER A 39 1.844 1.534 19.839 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.188 2.533 17.571 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.735 1.719 17.445 1.00 0.00 H new ATOM 0 HG SER A 39 2.030 0.529 16.408 1.00 0.00 H new ATOM 599 N GLU A 40 3.198 -0.222 21.036 1.00 0.00 N ATOM 600 CA GLU A 40 3.868 -1.407 21.635 1.00 0.00 C ATOM 601 C GLU A 40 3.072 -2.684 21.251 1.00 0.00 C ATOM 602 O GLU A 40 2.078 -3.026 21.898 1.00 0.00 O ATOM 603 CB GLU A 40 4.034 -1.201 23.165 1.00 0.00 C ATOM 604 CG GLU A 40 4.855 -2.311 23.862 1.00 0.00 C ATOM 605 CD GLU A 40 5.026 -2.099 25.369 1.00 0.00 C ATOM 606 OE1 GLU A 40 4.012 -2.083 26.100 1.00 0.00 O ATOM 607 OE2 GLU A 40 6.180 -1.964 25.832 1.00 0.00 O ATOM 0 H GLU A 40 2.373 0.089 21.549 1.00 0.00 H new ATOM 0 HA GLU A 40 4.876 -1.533 21.240 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.517 -0.240 23.342 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.047 -1.151 23.624 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.368 -3.271 23.693 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.840 -2.367 23.398 1.00 0.00 H new ATOM 614 N ILE A 41 3.551 -3.388 20.207 1.00 0.00 N ATOM 615 CA ILE A 41 2.951 -4.666 19.730 1.00 0.00 C ATOM 616 C ILE A 41 3.627 -5.817 20.532 1.00 0.00 C ATOM 617 O ILE A 41 4.857 -5.886 20.624 1.00 0.00 O ATOM 618 CB ILE A 41 3.124 -4.856 18.180 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.605 -3.678 17.306 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.480 -6.180 17.680 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.218 -3.635 15.904 1.00 0.00 C ATOM 0 H ILE A 41 4.364 -3.094 19.666 1.00 0.00 H new ATOM 0 HA ILE A 41 1.875 -4.663 19.902 1.00 0.00 H new ATOM 0 HB ILE A 41 4.206 -4.889 18.050 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.521 -3.753 17.217 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.818 -2.738 17.815 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.623 -6.270 16.603 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.951 -7.026 18.181 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.413 -6.173 17.905 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.809 -2.788 15.354 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.300 -3.528 15.983 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.983 -4.559 15.376 1.00 0.00 H new ATOM 633 N VAL A 42 2.800 -6.725 21.076 1.00 0.00 N ATOM 634 CA VAL A 42 3.284 -7.891 21.866 1.00 0.00 C ATOM 635 C VAL A 42 2.886 -9.163 21.056 1.00 0.00 C ATOM 636 O VAL A 42 1.772 -9.676 21.206 1.00 0.00 O ATOM 637 CB VAL A 42 2.736 -7.852 23.338 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.249 -9.037 24.190 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.067 -6.544 24.103 1.00 0.00 C ATOM 0 H VAL A 42 1.785 -6.681 20.987 1.00 0.00 H new ATOM 0 HA VAL A 42 4.366 -7.882 21.998 1.00 0.00 H new ATOM 0 HB VAL A 42 1.656 -7.915 23.209 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.841 -8.963 25.198 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.930 -9.976 23.737 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.338 -9.008 24.236 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.654 -6.597 25.110 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.148 -6.420 24.160 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.632 -5.695 23.577 1.00 0.00 H new ATOM 649 N GLN A 43 3.819 -9.681 20.226 1.00 0.00 N ATOM 650 CA GLN A 43 3.643 -10.977 19.516 1.00 0.00 C ATOM 651 C GLN A 43 4.074 -12.130 20.470 1.00 0.00 C ATOM 652 O GLN A 43 5.254 -12.260 20.814 1.00 0.00 O ATOM 653 CB GLN A 43 4.452 -10.972 18.189 1.00 0.00 C ATOM 654 CG GLN A 43 4.283 -12.236 17.311 1.00 0.00 C ATOM 655 CD GLN A 43 5.209 -12.266 16.081 1.00 0.00 C ATOM 656 OE1 GLN A 43 6.434 -12.244 16.202 1.00 0.00 O ATOM 657 NE2 GLN A 43 4.661 -12.351 14.880 1.00 0.00 N ATOM 0 H GLN A 43 4.708 -9.221 20.028 1.00 0.00 H new ATOM 0 HA GLN A 43 2.598 -11.130 19.247 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.156 -10.101 17.605 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.509 -10.852 18.427 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.475 -13.119 17.921 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.248 -12.299 16.976 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.646 -12.369 14.783 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.254 -12.399 14.051 1.00 0.00 H new ATOM 666 N ASN A 44 3.094 -12.957 20.868 1.00 0.00 N ATOM 667 CA ASN A 44 3.311 -14.114 21.776 1.00 0.00 C ATOM 668 C ASN A 44 3.504 -15.408 20.932 1.00 0.00 C ATOM 669 O ASN A 44 4.634 -15.889 20.796 1.00 0.00 O ATOM 670 CB ASN A 44 2.182 -14.200 22.849 1.00 0.00 C ATOM 671 CG ASN A 44 2.089 -13.006 23.824 1.00 0.00 C ATOM 672 OD1 ASN A 44 2.985 -12.767 24.633 1.00 0.00 O ATOM 673 ND2 ASN A 44 1.012 -12.236 23.763 1.00 0.00 N ATOM 0 H ASN A 44 2.124 -12.849 20.573 1.00 0.00 H new ATOM 0 HA ASN A 44 4.229 -13.981 22.348 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.226 -14.301 22.336 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.329 -15.110 23.431 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.920 -11.437 24.390 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.275 -12.443 23.089 1.00 0.00 H new ATOM 680 N GLY A 45 2.417 -15.935 20.348 1.00 0.00 N ATOM 681 CA GLY A 45 2.462 -17.066 19.400 1.00 0.00 C ATOM 682 C GLY A 45 1.072 -17.168 18.757 1.00 0.00 C ATOM 683 O GLY A 45 0.172 -17.783 19.336 1.00 0.00 O ATOM 0 H GLY A 45 1.473 -15.588 20.520 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.227 -16.903 18.641 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.717 -17.992 19.916 1.00 0.00 H new ATOM 687 N LYS A 46 0.885 -16.474 17.614 1.00 0.00 N ATOM 688 CA LYS A 46 -0.454 -16.140 17.042 1.00 0.00 C ATOM 689 C LYS A 46 -1.322 -15.090 17.814 1.00 0.00 C ATOM 690 O LYS A 46 -2.102 -14.397 17.159 1.00 0.00 O ATOM 691 CB LYS A 46 -1.290 -17.362 16.577 1.00 0.00 C ATOM 692 CG LYS A 46 -0.566 -18.287 15.577 1.00 0.00 C ATOM 693 CD LYS A 46 -1.438 -19.441 15.053 1.00 0.00 C ATOM 694 CE LYS A 46 -0.661 -20.430 14.165 1.00 0.00 C ATOM 695 NZ LYS A 46 -0.344 -19.900 12.824 1.00 0.00 N ATOM 0 H LYS A 46 1.660 -16.123 17.051 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.147 -15.608 16.142 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.575 -17.946 17.452 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.212 -17.003 16.119 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.221 -17.692 14.731 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.320 -18.703 16.057 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.864 -19.980 15.899 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.272 -19.029 14.484 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.267 -20.703 14.667 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.246 -21.344 14.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.178 -20.617 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.226 -19.664 12.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.239 -19.044 12.918 1.00 0.00 H new ATOM 709 N HIS A 47 -1.210 -14.956 19.153 1.00 0.00 N ATOM 710 CA HIS A 47 -1.969 -13.961 19.958 1.00 0.00 C ATOM 711 C HIS A 47 -1.204 -12.609 20.012 1.00 0.00 C ATOM 712 O HIS A 47 -0.020 -12.555 20.361 1.00 0.00 O ATOM 713 CB HIS A 47 -2.198 -14.500 21.399 1.00 0.00 C ATOM 714 CG HIS A 47 -3.261 -15.594 21.524 1.00 0.00 C ATOM 715 ND1 HIS A 47 -3.024 -16.952 21.397 1.00 0.00 N ATOM 716 CD2 HIS A 47 -4.624 -15.373 21.797 1.00 0.00 C ATOM 717 CE1 HIS A 47 -4.291 -17.432 21.601 1.00 0.00 C ATOM 718 NE2 HIS A 47 -5.329 -16.567 21.852 1.00 0.00 N ATOM 0 H HIS A 47 -0.587 -15.537 19.714 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.936 -13.797 19.483 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.253 -14.889 21.779 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.481 -13.666 22.041 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.065 -14.398 21.945 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.475 -18.496 21.564 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.318 -16.748 22.026 1.00 0.00 H new ATOM 726 N PHE A 48 -1.922 -11.528 19.669 1.00 0.00 N ATOM 727 CA PHE A 48 -1.358 -10.153 19.579 1.00 0.00 C ATOM 728 C PHE A 48 -2.153 -9.176 20.493 1.00 0.00 C ATOM 729 O PHE A 48 -3.380 -9.266 20.627 1.00 0.00 O ATOM 730 CB PHE A 48 -1.391 -9.637 18.115 1.00 0.00 C ATOM 731 CG PHE A 48 -0.393 -10.272 17.128 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.693 -11.494 16.516 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.741 -9.564 16.716 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.126 -12.001 15.510 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.541 -10.057 15.687 1.00 0.00 C ATOM 736 CZ PHE A 48 1.234 -11.273 15.087 1.00 0.00 C ATOM 0 H PHE A 48 -2.916 -11.573 19.443 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.322 -10.195 19.915 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.397 -9.789 17.725 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.214 -8.561 18.131 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.566 -12.048 16.826 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.997 -8.632 17.197 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.098 -12.957 15.059 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.401 -9.494 15.355 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.857 -11.653 14.291 1.00 0.00 H new ATOM 746 N LYS A 49 -1.423 -8.206 21.075 1.00 0.00 N ATOM 747 CA LYS A 49 -2.016 -7.096 21.866 1.00 0.00 C ATOM 748 C LYS A 49 -1.192 -5.817 21.544 1.00 0.00 C ATOM 749 O LYS A 49 -0.032 -5.723 21.964 1.00 0.00 O ATOM 750 CB LYS A 49 -1.993 -7.456 23.383 1.00 0.00 C ATOM 751 CG LYS A 49 -2.795 -6.507 24.309 1.00 0.00 C ATOM 752 CD LYS A 49 -4.328 -6.718 24.320 1.00 0.00 C ATOM 753 CE LYS A 49 -4.877 -7.714 25.365 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.510 -9.121 25.119 1.00 0.00 N ATOM 0 H LYS A 49 -0.406 -8.164 21.014 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.061 -6.924 21.607 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.382 -8.467 23.504 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.956 -7.471 23.719 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.423 -6.623 25.327 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.590 -5.479 24.010 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.805 -5.752 24.486 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.633 -7.058 23.330 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.514 -7.424 26.351 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.964 -7.634 25.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.300 -9.739 25.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.302 -9.254 24.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.669 -9.364 25.680 1.00 0.00 H new ATOM 768 N PHE A 50 -1.782 -4.842 20.815 1.00 0.00 N ATOM 769 CA PHE A 50 -1.085 -3.569 20.462 1.00 0.00 C ATOM 770 C PHE A 50 -1.862 -2.321 20.967 1.00 0.00 C ATOM 771 O PHE A 50 -3.067 -2.195 20.735 1.00 0.00 O ATOM 772 CB PHE A 50 -0.680 -3.506 18.963 1.00 0.00 C ATOM 773 CG PHE A 50 -1.723 -3.164 17.882 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.471 -4.170 17.265 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.856 -1.842 17.438 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.328 -3.862 16.210 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.712 -1.537 16.383 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.444 -2.548 15.767 1.00 0.00 C ATOM 0 H PHE A 50 -2.735 -4.905 20.458 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.139 -3.557 21.003 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.123 -2.774 18.878 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.255 -4.476 18.704 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.385 -5.191 17.607 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.292 -1.055 17.917 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.903 -4.644 15.736 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.808 -0.516 16.043 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.103 -2.312 14.944 1.00 0.00 H new ATOM 788 N THR A 51 -1.146 -1.397 21.637 1.00 0.00 N ATOM 789 CA THR A 51 -1.749 -0.192 22.277 1.00 0.00 C ATOM 790 C THR A 51 -1.148 1.077 21.603 1.00 0.00 C ATOM 791 O THR A 51 0.076 1.224 21.547 1.00 0.00 O ATOM 792 CB THR A 51 -1.517 -0.250 23.817 1.00 0.00 C ATOM 793 OG1 THR A 51 -2.101 -1.435 24.354 1.00 0.00 O ATOM 794 CG2 THR A 51 -2.116 0.938 24.586 1.00 0.00 C ATOM 0 H THR A 51 -0.135 -1.457 21.755 1.00 0.00 H new ATOM 0 HA THR A 51 -2.829 -0.157 22.132 1.00 0.00 H new ATOM 0 HB THR A 51 -0.435 -0.226 23.944 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.949 -1.465 25.322 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.912 0.823 25.650 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.668 1.865 24.229 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.194 0.970 24.425 1.00 0.00 H new ATOM 802 N ILE A 52 -2.019 1.995 21.130 1.00 0.00 N ATOM 803 CA ILE A 52 -1.591 3.272 20.481 1.00 0.00 C ATOM 804 C ILE A 52 -1.973 4.400 21.483 1.00 0.00 C ATOM 805 O ILE A 52 -3.145 4.778 21.559 1.00 0.00 O ATOM 806 CB ILE A 52 -2.244 3.497 19.063 1.00 0.00 C ATOM 807 CG1 ILE A 52 -2.185 2.305 18.062 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.737 4.797 18.382 1.00 0.00 C ATOM 809 CD1 ILE A 52 -0.789 1.840 17.634 1.00 0.00 C ATOM 0 H ILE A 52 -3.031 1.882 21.182 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.520 3.257 20.278 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.301 3.593 19.310 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.705 1.458 18.510 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.741 2.583 17.167 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.215 4.908 17.409 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.983 5.655 19.007 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.656 4.742 18.251 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.881 1.006 16.938 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.265 2.663 17.148 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.227 1.520 18.511 1.00 0.00 H new ATOM 821 N THR A 53 -0.989 4.943 22.227 1.00 0.00 N ATOM 822 CA THR A 53 -1.255 5.989 23.266 1.00 0.00 C ATOM 823 C THR A 53 -0.983 7.406 22.657 1.00 0.00 C ATOM 824 O THR A 53 0.058 8.014 22.925 1.00 0.00 O ATOM 825 CB THR A 53 -0.424 5.672 24.552 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.626 4.325 24.971 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.781 6.565 25.753 1.00 0.00 C ATOM 0 H THR A 53 -0.006 4.685 22.138 1.00 0.00 H new ATOM 0 HA THR A 53 -2.301 5.984 23.574 1.00 0.00 H new ATOM 0 HB THR A 53 0.611 5.857 24.264 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.095 4.150 25.776 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.165 6.288 26.608 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.598 7.609 25.497 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.833 6.432 26.005 1.00 0.00 H new ATOM 835 N ALA A 54 -1.929 7.924 21.843 1.00 0.00 N ATOM 836 CA ALA A 54 -1.755 9.200 21.094 1.00 0.00 C ATOM 837 C ALA A 54 -2.601 10.331 21.734 1.00 0.00 C ATOM 838 O ALA A 54 -3.812 10.429 21.505 1.00 0.00 O ATOM 839 CB ALA A 54 -2.136 8.964 19.618 1.00 0.00 C ATOM 0 H ALA A 54 -2.832 7.477 21.683 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.714 9.521 21.141 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.013 9.891 19.058 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.490 8.195 19.194 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.175 8.639 19.558 1.00 0.00 H new ATOM 845 N GLY A 55 -1.950 11.176 22.556 1.00 0.00 N ATOM 846 CA GLY A 55 -2.630 12.275 23.279 1.00 0.00 C ATOM 847 C GLY A 55 -3.426 11.781 24.502 1.00 0.00 C ATOM 848 O GLY A 55 -2.851 11.183 25.417 1.00 0.00 O ATOM 0 H GLY A 55 -0.948 11.120 22.739 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.888 13.004 23.604 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.305 12.791 22.596 1.00 0.00 H new ATOM 852 N SER A 56 -4.751 12.003 24.475 1.00 0.00 N ATOM 853 CA SER A 56 -5.701 11.289 25.371 1.00 0.00 C ATOM 854 C SER A 56 -6.601 10.356 24.522 1.00 0.00 C ATOM 855 O SER A 56 -7.812 10.565 24.386 1.00 0.00 O ATOM 856 CB SER A 56 -6.478 12.319 26.221 1.00 0.00 C ATOM 857 OG SER A 56 -7.350 11.669 27.138 1.00 0.00 O ATOM 0 H SER A 56 -5.197 12.670 23.845 1.00 0.00 H new ATOM 0 HA SER A 56 -5.176 10.647 26.078 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.776 12.950 26.766 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.054 12.974 25.568 1.00 0.00 H new ATOM 0 HG SER A 56 -7.830 12.341 27.666 1.00 0.00 H new ATOM 863 N LYS A 57 -5.977 9.306 23.958 1.00 0.00 N ATOM 864 CA LYS A 57 -6.673 8.318 23.111 1.00 0.00 C ATOM 865 C LYS A 57 -5.813 7.029 23.160 1.00 0.00 C ATOM 866 O LYS A 57 -4.899 6.855 22.345 1.00 0.00 O ATOM 867 CB LYS A 57 -6.878 8.877 21.668 1.00 0.00 C ATOM 868 CG LYS A 57 -7.840 8.062 20.785 1.00 0.00 C ATOM 869 CD LYS A 57 -9.333 8.347 21.045 1.00 0.00 C ATOM 870 CE LYS A 57 -10.301 7.518 20.183 1.00 0.00 C ATOM 871 NZ LYS A 57 -10.392 6.106 20.604 1.00 0.00 N ATOM 0 H LYS A 57 -4.981 9.118 24.075 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.679 8.098 23.469 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.252 9.898 21.740 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.908 8.927 21.173 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.619 8.270 19.738 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.651 7.001 20.945 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.548 8.156 22.096 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.524 9.405 20.868 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.293 7.968 20.227 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.978 7.560 19.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.784 5.537 19.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.444 5.754 20.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.012 6.031 21.435 1.00 0.00 H new ATOM 885 N VAL A 58 -6.104 6.142 24.131 1.00 0.00 N ATOM 886 CA VAL A 58 -5.352 4.871 24.326 1.00 0.00 C ATOM 887 C VAL A 58 -6.165 3.732 23.647 1.00 0.00 C ATOM 888 O VAL A 58 -7.225 3.321 24.133 1.00 0.00 O ATOM 889 CB VAL A 58 -4.969 4.669 25.830 1.00 0.00 C ATOM 890 CG1 VAL A 58 -6.146 4.448 26.800 1.00 0.00 C ATOM 891 CG2 VAL A 58 -3.938 3.544 26.027 1.00 0.00 C ATOM 0 H VAL A 58 -6.860 6.278 24.802 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.378 4.881 23.836 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.532 5.632 26.093 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.764 4.320 27.813 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.810 5.312 26.769 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.698 3.556 26.505 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.706 3.444 27.087 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.349 2.605 25.656 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.028 3.784 25.478 1.00 0.00 H new ATOM 901 N ILE A 59 -5.676 3.276 22.483 1.00 0.00 N ATOM 902 CA ILE A 59 -6.467 2.428 21.548 1.00 0.00 C ATOM 903 C ILE A 59 -5.941 0.981 21.750 1.00 0.00 C ATOM 904 O ILE A 59 -4.946 0.582 21.137 1.00 0.00 O ATOM 905 CB ILE A 59 -6.359 2.962 20.075 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.795 4.451 19.918 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.172 2.083 19.096 1.00 0.00 C ATOM 908 CD1 ILE A 59 -6.422 5.114 18.588 1.00 0.00 C ATOM 0 H ILE A 59 -4.731 3.477 22.156 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.537 2.454 21.753 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.299 2.906 19.827 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.876 4.509 20.041 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.350 5.028 20.728 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.076 2.480 18.085 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.792 1.062 19.122 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.222 2.087 19.389 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.772 6.146 18.585 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.339 5.098 18.464 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.889 4.570 17.767 1.00 0.00 H new ATOM 920 N GLN A 60 -6.618 0.219 22.626 1.00 0.00 N ATOM 921 CA GLN A 60 -6.131 -1.109 23.080 1.00 0.00 C ATOM 922 C GLN A 60 -6.778 -2.212 22.207 1.00 0.00 C ATOM 923 O GLN A 60 -7.931 -2.606 22.404 1.00 0.00 O ATOM 924 CB GLN A 60 -6.417 -1.283 24.596 1.00 0.00 C ATOM 925 CG GLN A 60 -5.445 -0.495 25.503 1.00 0.00 C ATOM 926 CD GLN A 60 -5.894 -0.410 26.968 1.00 0.00 C ATOM 927 OE1 GLN A 60 -6.631 0.495 27.358 1.00 0.00 O ATOM 928 NE2 GLN A 60 -5.456 -1.337 27.806 1.00 0.00 N ATOM 0 H GLN A 60 -7.509 0.496 23.039 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.051 -1.190 22.956 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.437 -0.961 24.804 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.359 -2.342 24.849 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.462 -0.965 25.461 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.333 0.515 25.108 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.846 -2.082 27.469 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.729 -1.307 28.788 1.00 0.00 H new ATOM 937 N ASN A 61 -5.991 -2.675 21.229 1.00 0.00 N ATOM 938 CA ASN A 61 -6.425 -3.637 20.185 1.00 0.00 C ATOM 939 C ASN A 61 -6.046 -5.083 20.608 1.00 0.00 C ATOM 940 O ASN A 61 -5.026 -5.304 21.274 1.00 0.00 O ATOM 941 CB ASN A 61 -5.723 -3.310 18.834 1.00 0.00 C ATOM 942 CG ASN A 61 -5.853 -1.870 18.296 1.00 0.00 C ATOM 943 OD1 ASN A 61 -5.088 -0.982 18.669 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.798 -1.605 17.416 1.00 0.00 N ATOM 0 H ASN A 61 -5.016 -2.392 21.131 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.506 -3.557 20.067 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.662 -3.534 18.943 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.116 -3.989 18.077 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.897 -0.661 17.042 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.431 -2.344 17.109 1.00 0.00 H new ATOM 951 N GLU A 62 -6.853 -6.068 20.178 1.00 0.00 N ATOM 952 CA GLU A 62 -6.537 -7.505 20.381 1.00 0.00 C ATOM 953 C GLU A 62 -6.963 -8.251 19.096 1.00 0.00 C ATOM 954 O GLU A 62 -8.146 -8.272 18.738 1.00 0.00 O ATOM 955 CB GLU A 62 -7.229 -8.069 21.657 1.00 0.00 C ATOM 956 CG GLU A 62 -6.645 -9.390 22.214 1.00 0.00 C ATOM 957 CD GLU A 62 -6.864 -10.654 21.368 1.00 0.00 C ATOM 958 OE1 GLU A 62 -8.032 -11.040 21.141 1.00 0.00 O ATOM 959 OE2 GLU A 62 -5.864 -11.263 20.924 1.00 0.00 O ATOM 0 H GLU A 62 -7.731 -5.902 19.687 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.470 -7.645 20.551 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.177 -7.312 22.440 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.285 -8.226 21.435 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.572 -9.256 22.353 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.075 -9.563 23.201 1.00 0.00 H new ATOM 966 N PHE A 63 -5.987 -8.902 18.438 1.00 0.00 N ATOM 967 CA PHE A 63 -6.260 -9.822 17.304 1.00 0.00 C ATOM 968 C PHE A 63 -5.518 -11.169 17.492 1.00 0.00 C ATOM 969 O PHE A 63 -4.413 -11.220 18.036 1.00 0.00 O ATOM 970 CB PHE A 63 -5.992 -9.142 15.934 1.00 0.00 C ATOM 971 CG PHE A 63 -4.531 -8.872 15.527 1.00 0.00 C ATOM 972 CD1 PHE A 63 -3.890 -7.679 15.879 1.00 0.00 C ATOM 973 CD2 PHE A 63 -3.838 -9.824 14.769 1.00 0.00 C ATOM 974 CE1 PHE A 63 -2.587 -7.432 15.452 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.537 -9.570 14.347 1.00 0.00 C ATOM 976 CZ PHE A 63 -1.917 -8.376 14.687 1.00 0.00 C ATOM 0 H PHE A 63 -4.997 -8.812 18.668 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.323 -10.061 17.301 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.443 -9.763 15.160 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.521 -8.189 15.927 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.407 -6.948 16.483 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.315 -10.758 14.511 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.098 -6.506 15.716 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.009 -10.303 13.754 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.908 -8.181 14.355 1.00 0.00 H new ATOM 986 N THR A 64 -6.124 -12.256 16.985 1.00 0.00 N ATOM 987 CA THR A 64 -5.468 -13.588 16.921 1.00 0.00 C ATOM 988 C THR A 64 -5.554 -14.055 15.441 1.00 0.00 C ATOM 989 O THR A 64 -6.642 -14.140 14.861 1.00 0.00 O ATOM 990 CB THR A 64 -6.088 -14.596 17.932 1.00 0.00 C ATOM 991 OG1 THR A 64 -6.190 -14.010 19.228 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.243 -15.871 18.088 1.00 0.00 C ATOM 0 H THR A 64 -7.072 -12.245 16.610 1.00 0.00 H new ATOM 0 HA THR A 64 -4.423 -13.528 17.224 1.00 0.00 H new ATOM 0 HB THR A 64 -7.068 -14.852 17.529 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.583 -14.658 19.850 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.721 -16.539 18.804 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.160 -16.373 17.124 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.248 -15.607 18.447 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.386 -14.350 14.840 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.263 -14.625 13.376 1.00 0.00 C ATOM 1002 C VAL A 65 -4.871 -16.004 12.978 1.00 0.00 C ATOM 1003 O VAL A 65 -4.658 -17.013 13.660 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.800 -14.440 12.847 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.358 -12.965 12.906 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.729 -15.334 13.499 1.00 0.00 C ATOM 0 H VAL A 65 -3.500 -14.407 15.342 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.863 -13.867 12.873 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.863 -14.775 11.812 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.338 -12.875 12.531 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.025 -12.360 12.291 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.398 -12.614 13.937 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.757 -15.120 13.055 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.691 -15.134 14.570 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.980 -16.382 13.334 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.667 -16.001 11.893 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.532 -17.158 11.540 1.00 0.00 C ATOM 1018 C GLY A 66 -7.977 -17.163 12.105 1.00 0.00 C ATOM 1019 O GLY A 66 -8.888 -17.651 11.431 1.00 0.00 O ATOM 0 H GLY A 66 -5.734 -15.217 11.244 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.594 -17.214 10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.034 -18.067 11.878 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.176 -16.639 13.327 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.502 -16.502 13.977 1.00 0.00 C ATOM 1025 C GLU A 67 -10.063 -15.068 13.747 1.00 0.00 C ATOM 1026 O GLU A 67 -9.319 -14.086 13.628 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.373 -16.790 15.503 1.00 0.00 C ATOM 1028 CG GLU A 67 -9.098 -18.257 15.908 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.630 -18.695 15.822 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -6.855 -18.404 16.760 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -7.245 -19.335 14.817 1.00 0.00 O ATOM 0 H GLU A 67 -7.411 -16.291 13.905 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.192 -17.222 13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.569 -16.170 15.900 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.294 -16.469 15.990 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.445 -18.406 16.930 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.693 -18.911 15.271 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.405 -14.952 13.757 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.102 -13.635 13.789 1.00 0.00 C ATOM 1040 C GLU A 68 -11.987 -12.987 15.200 1.00 0.00 C ATOM 1041 O GLU A 68 -12.263 -13.621 16.225 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.564 -13.722 13.264 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.567 -14.664 13.976 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.141 -14.192 15.320 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -15.454 -12.990 15.474 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -15.280 -15.031 16.236 1.00 0.00 O ATOM 0 H GLU A 68 -12.037 -15.753 13.743 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.595 -12.968 13.092 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.983 -12.716 13.291 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.519 -14.021 12.217 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.401 -14.845 13.297 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.074 -15.623 14.137 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.521 -11.732 15.221 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.218 -10.990 16.473 1.00 0.00 C ATOM 1055 C CYS A 69 -11.445 -9.469 16.259 1.00 0.00 C ATOM 1056 O CYS A 69 -11.162 -8.911 15.191 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.768 -11.251 16.935 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.526 -12.979 17.468 1.00 0.00 S ATOM 0 H CYS A 69 -11.340 -11.193 14.374 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.892 -11.346 17.252 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.081 -11.022 16.121 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.522 -10.579 17.758 1.00 0.00 H new ATOM 0 HG CYS A 69 -10.606 -13.662 17.229 1.00 0.00 H new ATOM 1064 N GLU A 70 -11.940 -8.799 17.317 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.313 -7.364 17.268 1.00 0.00 C ATOM 1066 C GLU A 70 -11.075 -6.428 17.337 1.00 0.00 C ATOM 1067 O GLU A 70 -10.330 -6.437 18.324 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.384 -7.005 18.337 1.00 0.00 C ATOM 1069 CG GLU A 70 -13.064 -7.304 19.824 1.00 0.00 C ATOM 1070 CD GLU A 70 -14.120 -6.753 20.786 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -15.239 -7.309 20.842 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -13.834 -5.761 21.494 1.00 0.00 O ATOM 0 H GLU A 70 -12.094 -9.231 18.228 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.771 -7.193 16.294 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.597 -5.940 18.250 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.301 -7.535 18.081 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.982 -8.382 19.962 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.094 -6.875 20.074 1.00 0.00 H new ATOM 1079 N LEU A 71 -10.889 -5.603 16.291 1.00 0.00 N ATOM 1080 CA LEU A 71 -9.889 -4.503 16.306 1.00 0.00 C ATOM 1081 C LEU A 71 -10.604 -3.199 16.737 1.00 0.00 C ATOM 1082 O LEU A 71 -11.641 -2.811 16.193 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.187 -4.348 14.927 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.146 -5.444 14.564 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -7.649 -5.281 13.116 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -6.934 -5.448 15.517 1.00 0.00 C ATOM 0 H LEU A 71 -11.416 -5.672 15.420 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.100 -4.736 17.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.953 -4.332 14.152 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.688 -3.379 14.903 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.664 -6.397 14.669 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.922 -6.061 12.891 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.493 -5.362 12.430 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.180 -4.304 13.000 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.239 -6.232 15.218 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.432 -4.481 15.471 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.273 -5.633 16.536 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.024 -2.523 17.738 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.624 -1.316 18.355 1.00 0.00 C ATOM 1100 C GLU A 72 -10.268 -0.083 17.484 1.00 0.00 C ATOM 1101 O GLU A 72 -9.157 0.446 17.562 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.130 -1.206 19.827 1.00 0.00 C ATOM 1103 CG GLU A 72 -10.882 -2.077 20.863 1.00 0.00 C ATOM 1104 CD GLU A 72 -10.838 -3.601 20.659 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -9.904 -4.263 21.158 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -11.744 -4.140 19.986 1.00 0.00 O ATOM 0 H GLU A 72 -9.129 -2.790 18.147 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.712 -1.375 18.392 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.074 -1.473 19.856 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.203 -0.164 20.137 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.476 -1.856 21.850 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.927 -1.767 20.872 1.00 0.00 H new ATOM 1113 N THR A 73 -11.217 0.358 16.635 1.00 0.00 N ATOM 1114 CA THR A 73 -11.031 1.555 15.764 1.00 0.00 C ATOM 1115 C THR A 73 -11.126 2.887 16.575 1.00 0.00 C ATOM 1116 O THR A 73 -11.712 2.947 17.663 1.00 0.00 O ATOM 1117 CB THR A 73 -12.021 1.527 14.553 1.00 0.00 C ATOM 1118 OG1 THR A 73 -13.361 1.328 14.984 1.00 0.00 O ATOM 1119 CG2 THR A 73 -11.693 0.456 13.498 1.00 0.00 C ATOM 0 H THR A 73 -12.126 -0.093 16.528 1.00 0.00 H new ATOM 0 HA THR A 73 -10.020 1.515 15.358 1.00 0.00 H new ATOM 0 HB THR A 73 -11.906 2.505 14.085 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.655 2.102 15.508 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.426 0.502 12.692 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.697 0.637 13.094 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.724 -0.531 13.960 1.00 0.00 H new ATOM 1127 N MET A 74 -10.547 3.962 16.005 1.00 0.00 N ATOM 1128 CA MET A 74 -10.597 5.343 16.576 1.00 0.00 C ATOM 1129 C MET A 74 -12.041 5.881 16.863 1.00 0.00 C ATOM 1130 O MET A 74 -12.311 6.339 17.976 1.00 0.00 O ATOM 1131 CB MET A 74 -9.825 6.324 15.652 1.00 0.00 C ATOM 1132 CG MET A 74 -8.298 6.180 15.542 1.00 0.00 C ATOM 1133 SD MET A 74 -7.806 4.577 14.864 1.00 0.00 S ATOM 1134 CE MET A 74 -6.014 4.766 14.766 1.00 0.00 C ATOM 0 H MET A 74 -10.026 3.907 15.130 1.00 0.00 H new ATOM 0 HA MET A 74 -10.116 5.280 17.552 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.240 6.230 14.648 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.039 7.337 15.992 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.905 6.976 14.909 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.851 6.307 16.528 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.573 3.853 14.365 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.772 5.604 14.112 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.613 4.955 15.762 1.00 0.00 H new ATOM 1144 N THR A 75 -12.973 5.749 15.897 1.00 0.00 N ATOM 1145 CA THR A 75 -14.439 5.776 16.168 1.00 0.00 C ATOM 1146 C THR A 75 -14.880 4.448 16.855 1.00 0.00 C ATOM 1147 O THR A 75 -14.428 3.365 16.474 1.00 0.00 O ATOM 1148 CB THR A 75 -15.259 5.995 14.860 1.00 0.00 C ATOM 1149 OG1 THR A 75 -14.941 5.014 13.872 1.00 0.00 O ATOM 1150 CG2 THR A 75 -15.087 7.386 14.234 1.00 0.00 C ATOM 0 H THR A 75 -12.741 5.621 14.912 1.00 0.00 H new ATOM 0 HA THR A 75 -14.639 6.615 16.835 1.00 0.00 H new ATOM 0 HB THR A 75 -16.298 5.900 15.175 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.473 5.178 13.065 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.691 7.455 13.329 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.410 8.147 14.944 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.038 7.545 13.984 1.00 0.00 H new ATOM 1158 N GLY A 76 -15.771 4.545 17.854 1.00 0.00 N ATOM 1159 CA GLY A 76 -16.219 3.375 18.652 1.00 0.00 C ATOM 1160 C GLY A 76 -17.096 2.368 17.873 1.00 0.00 C ATOM 1161 O GLY A 76 -18.293 2.602 17.684 1.00 0.00 O ATOM 0 H GLY A 76 -16.203 5.425 18.136 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.341 2.854 19.034 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.779 3.733 19.516 1.00 0.00 H new ATOM 1165 N GLU A 77 -16.464 1.273 17.412 1.00 0.00 N ATOM 1166 CA GLU A 77 -17.102 0.261 16.520 1.00 0.00 C ATOM 1167 C GLU A 77 -16.812 -1.182 17.028 1.00 0.00 C ATOM 1168 O GLU A 77 -17.760 -1.929 17.281 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.686 0.419 15.027 1.00 0.00 C ATOM 1170 CG GLU A 77 -17.044 1.759 14.348 1.00 0.00 C ATOM 1171 CD GLU A 77 -16.546 1.828 12.900 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -15.366 2.179 12.681 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -17.334 1.525 11.976 1.00 0.00 O ATOM 0 H GLU A 77 -15.494 1.056 17.642 1.00 0.00 H new ATOM 0 HA GLU A 77 -18.176 0.440 16.562 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.607 0.279 14.957 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.149 -0.386 14.457 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.125 1.895 14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.610 2.580 14.919 1.00 0.00 H new ATOM 1180 N LYS A 78 -15.518 -1.573 17.142 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.064 -2.935 17.553 1.00 0.00 C ATOM 1182 C LYS A 78 -15.327 -3.946 16.397 1.00 0.00 C ATOM 1183 O LYS A 78 -16.380 -4.591 16.347 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.557 -3.421 18.952 1.00 0.00 C ATOM 1185 CG LYS A 78 -14.969 -2.694 20.185 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.539 -1.292 20.484 1.00 0.00 C ATOM 1187 CE LYS A 78 -14.916 -0.649 21.735 1.00 0.00 C ATOM 1188 NZ LYS A 78 -15.541 0.651 22.036 1.00 0.00 N ATOM 0 H LYS A 78 -14.741 -0.941 16.948 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.989 -2.869 17.718 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.642 -3.323 18.984 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.331 -4.483 19.043 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -15.128 -3.322 21.061 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.891 -2.604 20.048 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.367 -0.644 19.624 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.618 -1.365 20.618 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.034 -1.318 22.588 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.845 -0.514 21.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.100 1.060 22.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.406 1.296 21.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.558 0.516 22.205 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.380 -4.012 15.440 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.624 -4.591 14.092 1.00 0.00 C ATOM 1204 C VAL A 79 -14.071 -6.043 14.021 1.00 0.00 C ATOM 1205 O VAL A 79 -12.856 -6.257 13.982 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.096 -3.603 12.992 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -12.564 -3.413 12.891 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -14.643 -3.951 11.599 1.00 0.00 C ATOM 0 H VAL A 79 -13.428 -3.669 15.572 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.690 -4.697 13.893 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.484 -2.648 13.346 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.337 -2.706 12.093 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.182 -3.028 13.836 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.092 -4.371 12.673 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.253 -3.243 10.868 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.333 -4.960 11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.732 -3.897 11.612 1.00 0.00 H new ATOM 1218 N LYS A 80 -14.984 -7.033 13.983 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.630 -8.476 13.883 1.00 0.00 C ATOM 1220 C LYS A 80 -14.070 -8.824 12.471 1.00 0.00 C ATOM 1221 O LYS A 80 -14.774 -8.730 11.461 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.814 -9.388 14.314 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.180 -9.183 13.609 1.00 0.00 C ATOM 1224 CD LYS A 80 -18.297 -10.154 14.055 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.182 -11.609 13.553 1.00 0.00 C ATOM 1226 NZ LYS A 80 -18.406 -11.740 12.101 1.00 0.00 N ATOM 0 H LYS A 80 -15.989 -6.863 14.020 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.825 -8.677 14.590 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.511 -10.424 14.162 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.967 -9.254 15.385 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.515 -8.161 13.788 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.036 -9.288 12.534 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.321 -10.169 15.145 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.253 -9.752 13.720 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.192 -11.994 13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.905 -12.228 14.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.316 -12.739 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.360 -11.400 11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.700 -11.174 11.588 1.00 0.00 H new ATOM 1240 N THR A 81 -12.769 -9.162 12.430 1.00 0.00 N ATOM 1241 CA THR A 81 -11.999 -9.307 11.165 1.00 0.00 C ATOM 1242 C THR A 81 -10.893 -10.387 11.356 1.00 0.00 C ATOM 1243 O THR A 81 -10.176 -10.403 12.365 1.00 0.00 O ATOM 1244 CB THR A 81 -11.456 -7.928 10.664 1.00 0.00 C ATOM 1245 OG1 THR A 81 -10.897 -8.076 9.363 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.413 -7.223 11.551 1.00 0.00 C ATOM 0 H THR A 81 -12.215 -9.344 13.267 1.00 0.00 H new ATOM 0 HA THR A 81 -12.657 -9.655 10.369 1.00 0.00 H new ATOM 0 HB THR A 81 -12.336 -7.285 10.685 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.559 -7.210 9.052 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.121 -6.280 11.090 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.843 -7.029 12.534 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.536 -7.861 11.659 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.738 -11.263 10.344 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.690 -12.322 10.334 1.00 0.00 C ATOM 1256 C VAL A 82 -8.373 -11.686 9.787 1.00 0.00 C ATOM 1257 O VAL A 82 -8.341 -11.177 8.659 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.109 -13.587 9.504 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.068 -14.722 9.649 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.489 -14.182 9.872 1.00 0.00 C ATOM 0 H VAL A 82 -11.328 -11.263 9.512 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.542 -12.686 11.351 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.166 -13.215 8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.386 -15.584 9.063 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.099 -14.376 9.289 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.984 -15.007 10.698 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.689 -15.051 9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.488 -14.482 10.920 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.263 -13.432 9.710 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.297 -11.746 10.592 1.00 0.00 N ATOM 1271 CA VAL A 83 -5.981 -11.148 10.229 1.00 0.00 C ATOM 1272 C VAL A 83 -5.077 -12.305 9.704 1.00 0.00 C ATOM 1273 O VAL A 83 -4.807 -13.266 10.430 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.337 -10.365 11.426 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.031 -9.648 10.998 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.287 -9.342 12.100 1.00 0.00 C ATOM 0 H VAL A 83 -7.304 -12.203 11.504 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.106 -10.398 9.448 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.115 -11.131 12.169 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.612 -9.116 11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.312 -10.385 10.641 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.250 -8.939 10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.765 -8.844 12.917 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.603 -8.601 11.366 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.162 -9.861 12.491 1.00 0.00 H new ATOM 1286 N GLN A 84 -4.596 -12.189 8.454 1.00 0.00 N ATOM 1287 CA GLN A 84 -3.668 -13.179 7.848 1.00 0.00 C ATOM 1288 C GLN A 84 -2.209 -12.655 7.969 1.00 0.00 C ATOM 1289 O GLN A 84 -1.886 -11.558 7.503 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.078 -13.438 6.367 1.00 0.00 C ATOM 1291 CG GLN A 84 -4.955 -14.687 6.114 1.00 0.00 C ATOM 1292 CD GLN A 84 -6.365 -14.682 6.740 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -7.041 -13.656 6.838 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -6.846 -15.846 7.151 1.00 0.00 N ATOM 0 H GLN A 84 -4.833 -11.415 7.834 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.726 -14.131 8.376 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.614 -12.562 6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.170 -13.529 5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.061 -14.815 5.037 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.420 -15.560 6.488 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.280 -16.690 7.066 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.782 -15.898 7.552 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.335 -13.478 8.577 1.00 0.00 N ATOM 1304 CA LEU A 85 0.115 -13.177 8.701 1.00 0.00 C ATOM 1305 C LEU A 85 0.896 -13.798 7.510 1.00 0.00 C ATOM 1306 O LEU A 85 0.821 -15.003 7.250 1.00 0.00 O ATOM 1307 CB LEU A 85 0.623 -13.681 10.082 1.00 0.00 C ATOM 1308 CG LEU A 85 2.134 -13.508 10.412 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.654 -12.069 10.234 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.428 -14.005 11.840 1.00 0.00 C ATOM 0 H LEU A 85 -1.606 -14.368 8.996 1.00 0.00 H new ATOM 0 HA LEU A 85 0.285 -12.101 8.657 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.051 -13.168 10.856 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.384 -14.742 10.159 1.00 0.00 H new ATOM 0 HG LEU A 85 2.671 -14.116 9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.714 -12.032 10.483 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.513 -11.757 9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.103 -11.399 10.893 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.488 -13.878 12.058 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.839 -13.429 12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.165 -15.060 11.920 1.00 0.00 H new ATOM 1322 N GLU A 86 1.671 -12.937 6.831 1.00 0.00 N ATOM 1323 CA GLU A 86 2.557 -13.328 5.707 1.00 0.00 C ATOM 1324 C GLU A 86 4.038 -13.199 6.149 1.00 0.00 C ATOM 1325 O GLU A 86 4.519 -12.114 6.493 1.00 0.00 O ATOM 1326 CB GLU A 86 2.282 -12.457 4.454 1.00 0.00 C ATOM 1327 CG GLU A 86 0.970 -12.811 3.729 1.00 0.00 C ATOM 1328 CD GLU A 86 0.670 -11.867 2.561 1.00 0.00 C ATOM 1329 OE1 GLU A 86 1.109 -12.149 1.424 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -0.002 -10.834 2.779 1.00 0.00 O ATOM 0 H GLU A 86 1.705 -11.940 7.044 1.00 0.00 H new ATOM 0 HA GLU A 86 2.351 -14.364 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.251 -11.409 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.113 -12.567 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.029 -13.834 3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.145 -12.776 4.441 1.00 0.00 H new ATOM 1337 N GLY A 87 4.743 -14.340 6.112 1.00 0.00 N ATOM 1338 CA GLY A 87 6.201 -14.411 6.399 1.00 0.00 C ATOM 1339 C GLY A 87 6.763 -14.059 7.806 1.00 0.00 C ATOM 1340 O GLY A 87 7.976 -13.865 7.909 1.00 0.00 O ATOM 0 H GLY A 87 4.328 -15.243 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.521 -15.429 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.698 -13.755 5.684 1.00 0.00 H new ATOM 1344 N ASP A 88 5.921 -13.958 8.860 1.00 0.00 N ATOM 1345 CA ASP A 88 6.313 -13.432 10.207 1.00 0.00 C ATOM 1346 C ASP A 88 6.548 -11.880 10.320 1.00 0.00 C ATOM 1347 O ASP A 88 6.728 -11.381 11.437 1.00 0.00 O ATOM 1348 CB ASP A 88 7.403 -14.307 10.904 1.00 0.00 C ATOM 1349 CG ASP A 88 7.480 -14.185 12.435 1.00 0.00 C ATOM 1350 OD1 ASP A 88 6.527 -14.607 13.127 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.495 -13.665 12.948 1.00 0.00 O ATOM 0 H ASP A 88 4.942 -14.239 8.809 1.00 0.00 H new ATOM 0 HA ASP A 88 5.405 -13.548 10.798 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.221 -15.351 10.650 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.375 -14.043 10.488 1.00 0.00 H new ATOM 1356 N ASN A 89 6.523 -11.118 9.204 1.00 0.00 N ATOM 1357 CA ASN A 89 6.776 -9.648 9.194 1.00 0.00 C ATOM 1358 C ASN A 89 5.910 -8.808 8.190 1.00 0.00 C ATOM 1359 O ASN A 89 6.350 -7.737 7.761 1.00 0.00 O ATOM 1360 CB ASN A 89 8.306 -9.383 9.095 1.00 0.00 C ATOM 1361 CG ASN A 89 9.015 -9.651 7.750 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.962 -10.747 7.193 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.705 -8.652 7.221 1.00 0.00 N ATOM 0 H ASN A 89 6.327 -11.500 8.279 1.00 0.00 H new ATOM 0 HA ASN A 89 6.417 -9.264 10.149 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.479 -8.340 9.359 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.797 -9.990 9.855 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.202 -8.785 6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.740 -7.749 7.694 1.00 0.00 H new ATOM 1370 N LYS A 90 4.667 -9.234 7.857 1.00 0.00 N ATOM 1371 CA LYS A 90 3.744 -8.466 6.980 1.00 0.00 C ATOM 1372 C LYS A 90 2.292 -8.918 7.283 1.00 0.00 C ATOM 1373 O LYS A 90 1.849 -9.979 6.842 1.00 0.00 O ATOM 1374 CB LYS A 90 4.163 -8.631 5.490 1.00 0.00 C ATOM 1375 CG LYS A 90 3.499 -7.675 4.475 1.00 0.00 C ATOM 1376 CD LYS A 90 2.210 -8.215 3.819 1.00 0.00 C ATOM 1377 CE LYS A 90 1.656 -7.338 2.678 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.480 -7.382 1.454 1.00 0.00 N ATOM 0 H LYS A 90 4.275 -10.116 8.187 1.00 0.00 H new ATOM 0 HA LYS A 90 3.798 -7.396 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.243 -8.502 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.945 -9.655 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.267 -6.737 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.219 -7.445 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.407 -9.214 3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.443 -8.318 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.644 -7.663 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.586 -6.307 3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.054 -6.773 0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.440 -7.045 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.527 -8.360 1.102 1.00 0.00 H new ATOM 1392 N LEU A 91 1.551 -8.079 8.026 1.00 0.00 N ATOM 1393 CA LEU A 91 0.133 -8.339 8.395 1.00 0.00 C ATOM 1394 C LEU A 91 -0.822 -7.654 7.382 1.00 0.00 C ATOM 1395 O LEU A 91 -0.596 -6.516 6.960 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.147 -7.780 9.818 1.00 0.00 C ATOM 1397 CG LEU A 91 0.557 -8.515 10.990 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.714 -7.586 12.207 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.158 -9.823 11.372 1.00 0.00 C ATOM 0 H LEU A 91 1.911 -7.198 8.392 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.040 -9.415 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.153 -6.732 9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.223 -7.808 9.992 1.00 0.00 H new ATOM 0 HG LEU A 91 1.553 -8.792 10.644 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.210 -8.125 13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.313 -6.719 11.928 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.269 -7.256 12.542 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.372 -10.300 12.196 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.181 -9.603 11.678 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.173 -10.494 10.513 1.00 0.00 H new ATOM 1411 N VAL A 92 -1.915 -8.358 7.042 1.00 0.00 N ATOM 1412 CA VAL A 92 -2.993 -7.833 6.171 1.00 0.00 C ATOM 1413 C VAL A 92 -4.335 -7.973 6.948 1.00 0.00 C ATOM 1414 O VAL A 92 -4.779 -9.081 7.265 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.017 -8.520 4.763 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -1.922 -7.960 3.832 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -2.970 -10.066 4.731 1.00 0.00 C ATOM 0 H VAL A 92 -2.081 -9.312 7.362 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.814 -6.781 5.947 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.012 -8.260 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.973 -8.463 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.075 -6.890 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.942 -8.131 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.993 -10.409 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.053 -10.412 5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.831 -10.467 5.265 1.00 0.00 H new ATOM 1427 N THR A 93 -4.970 -6.822 7.240 1.00 0.00 N ATOM 1428 CA THR A 93 -6.310 -6.764 7.884 1.00 0.00 C ATOM 1429 C THR A 93 -7.143 -5.666 7.169 1.00 0.00 C ATOM 1430 O THR A 93 -7.014 -4.465 7.415 1.00 0.00 O ATOM 1431 CB THR A 93 -6.239 -6.618 9.430 1.00 0.00 C ATOM 1432 OG1 THR A 93 -7.556 -6.648 9.968 1.00 0.00 O ATOM 1433 CG2 THR A 93 -5.512 -5.389 9.996 1.00 0.00 C ATOM 0 H THR A 93 -4.575 -5.903 7.039 1.00 0.00 H new ATOM 0 HA THR A 93 -6.823 -7.718 7.757 1.00 0.00 H new ATOM 0 HB THR A 93 -5.624 -7.464 9.736 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.733 -5.811 10.446 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.541 -5.419 11.085 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.475 -5.393 9.660 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.003 -4.482 9.645 1.00 0.00 H new ATOM 1441 N THR A 94 -8.011 -6.146 6.276 1.00 0.00 N ATOM 1442 CA THR A 94 -8.932 -5.315 5.464 1.00 0.00 C ATOM 1443 C THR A 94 -10.354 -5.436 6.075 1.00 0.00 C ATOM 1444 O THR A 94 -10.913 -6.530 6.221 1.00 0.00 O ATOM 1445 CB THR A 94 -8.827 -5.695 3.956 1.00 0.00 C ATOM 1446 OG1 THR A 94 -9.788 -4.962 3.204 1.00 0.00 O ATOM 1447 CG2 THR A 94 -8.987 -7.185 3.599 1.00 0.00 C ATOM 0 H THR A 94 -8.103 -7.144 6.086 1.00 0.00 H new ATOM 0 HA THR A 94 -8.660 -4.260 5.495 1.00 0.00 H new ATOM 0 HB THR A 94 -7.797 -5.441 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.716 -5.204 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.893 -7.313 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.213 -7.765 4.102 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.968 -7.533 3.921 1.00 0.00 H new ATOM 1455 N PHE A 95 -10.901 -4.273 6.446 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.191 -4.161 7.177 1.00 0.00 C ATOM 1457 C PHE A 95 -13.013 -2.942 6.659 1.00 0.00 C ATOM 1458 O PHE A 95 -12.547 -2.115 5.865 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.956 -4.202 8.723 1.00 0.00 C ATOM 1460 CG PHE A 95 -11.006 -3.162 9.355 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -11.469 -1.882 9.681 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.679 -3.505 9.641 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -10.621 -0.969 10.302 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.832 -2.586 10.255 1.00 0.00 C ATOM 1465 CZ PHE A 95 -9.303 -1.318 10.585 1.00 0.00 C ATOM 0 H PHE A 95 -10.467 -3.371 6.251 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.816 -5.029 6.967 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.927 -4.101 9.208 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.576 -5.192 8.974 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -12.486 -1.602 9.450 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.311 -4.487 9.384 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -10.986 0.013 10.565 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.810 -2.857 10.475 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.646 -0.605 11.061 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.276 -2.856 7.121 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.262 -1.839 6.679 1.00 0.00 C ATOM 1477 C LYS A 96 -14.817 -0.407 7.086 1.00 0.00 C ATOM 1478 O LYS A 96 -14.554 -0.119 8.258 1.00 0.00 O ATOM 1479 CB LYS A 96 -16.661 -2.160 7.268 1.00 0.00 C ATOM 1480 CG LYS A 96 -17.339 -3.428 6.691 1.00 0.00 C ATOM 1481 CD LYS A 96 -18.691 -3.798 7.344 1.00 0.00 C ATOM 1482 CE LYS A 96 -18.640 -4.298 8.804 1.00 0.00 C ATOM 1483 NZ LYS A 96 -17.952 -5.594 8.958 1.00 0.00 N ATOM 0 H LYS A 96 -14.649 -3.497 7.821 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.319 -1.873 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.566 -2.276 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -17.316 -1.306 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.496 -3.284 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.656 -4.270 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -19.338 -2.922 7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -19.163 -4.570 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -18.135 -3.552 9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -19.657 -4.388 9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.953 -5.871 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.446 -6.318 8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.971 -5.508 8.624 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.705 0.431 6.047 1.00 0.00 N ATOM 1498 CA ASN A 97 -14.115 1.802 6.100 1.00 0.00 C ATOM 1499 C ASN A 97 -12.596 1.815 5.758 1.00 0.00 C ATOM 1500 O ASN A 97 -12.205 2.541 4.839 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.444 2.721 7.322 1.00 0.00 C ATOM 1502 CG ASN A 97 -15.944 2.965 7.594 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -16.703 3.356 6.708 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -16.398 2.751 8.819 1.00 0.00 N ATOM 0 H ASN A 97 -15.028 0.179 5.113 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.676 2.290 5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.999 2.280 8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.960 3.686 7.168 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.382 2.910 9.033 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.763 2.427 9.549 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.744 1.085 6.509 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.268 1.288 6.497 1.00 0.00 C ATOM 1513 C ILE A 98 -9.624 -0.076 6.110 1.00 0.00 C ATOM 1514 O ILE A 98 -9.785 -1.078 6.817 1.00 0.00 O ATOM 1515 CB ILE A 98 -9.762 1.831 7.884 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -10.399 3.191 8.316 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.216 1.954 7.953 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -10.452 3.413 9.838 1.00 0.00 C ATOM 0 H ILE A 98 -12.050 0.343 7.138 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.978 2.045 5.769 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.097 1.071 8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.833 4.004 7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.412 3.247 7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.925 2.333 8.932 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.766 0.974 7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.871 2.641 7.180 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -10.908 4.380 10.049 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.045 2.624 10.300 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -9.441 3.393 10.244 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.810 -0.062 5.037 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.813 -1.136 4.776 1.00 0.00 C ATOM 1532 C LYS A 99 -6.490 -0.790 5.513 1.00 0.00 C ATOM 1533 O LYS A 99 -5.992 0.338 5.432 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.530 -1.347 3.270 1.00 0.00 C ATOM 1535 CG LYS A 99 -8.741 -1.814 2.436 1.00 0.00 C ATOM 1536 CD LYS A 99 -8.307 -2.527 1.143 1.00 0.00 C ATOM 1537 CE LYS A 99 -9.495 -2.896 0.238 1.00 0.00 C ATOM 1538 NZ LYS A 99 -9.043 -3.554 -1.001 1.00 0.00 N ATOM 0 H LYS A 99 -8.818 0.677 4.334 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.234 -2.069 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.159 -0.411 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.732 -2.082 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.355 -2.488 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.362 -0.954 2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.622 -1.883 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.757 -3.432 1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.173 -3.558 0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.058 -1.996 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.867 -3.790 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.415 -2.912 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.527 -4.425 -0.763 1.00 0.00 H new ATOM 1552 N SER A 100 -5.952 -1.772 6.250 1.00 0.00 N ATOM 1553 CA SER A 100 -4.860 -1.536 7.235 1.00 0.00 C ATOM 1554 C SER A 100 -3.786 -2.645 7.089 1.00 0.00 C ATOM 1555 O SER A 100 -4.062 -3.825 7.321 1.00 0.00 O ATOM 1556 CB SER A 100 -5.465 -1.464 8.655 1.00 0.00 C ATOM 1557 OG SER A 100 -4.465 -1.191 9.628 1.00 0.00 O ATOM 0 H SER A 100 -6.250 -2.746 6.190 1.00 0.00 H new ATOM 0 HA SER A 100 -4.363 -0.584 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.230 -0.688 8.688 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.958 -2.407 8.891 1.00 0.00 H new ATOM 0 HG SER A 100 -4.876 -1.149 10.517 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.564 -2.240 6.699 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.445 -3.181 6.392 1.00 0.00 C ATOM 1565 C VAL A 101 -0.253 -2.751 7.289 1.00 0.00 C ATOM 1566 O VAL A 101 0.284 -1.654 7.119 1.00 0.00 O ATOM 1567 CB VAL A 101 -1.082 -3.168 4.868 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.122 -4.073 4.506 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -2.268 -3.591 3.971 1.00 0.00 C ATOM 0 H VAL A 101 -2.314 -1.258 6.585 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.727 -4.212 6.605 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.816 -2.128 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.314 -4.012 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.005 -3.740 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.104 -5.105 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.961 -3.564 2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.579 -4.603 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.101 -2.905 4.122 1.00 0.00 H new ATOM 1579 N THR A 102 0.170 -3.644 8.199 1.00 0.00 N ATOM 1580 CA THR A 102 1.273 -3.361 9.161 1.00 0.00 C ATOM 1581 C THR A 102 2.505 -4.195 8.696 1.00 0.00 C ATOM 1582 O THR A 102 2.631 -5.370 9.054 1.00 0.00 O ATOM 1583 CB THR A 102 0.813 -3.687 10.618 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.394 -3.007 10.937 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.843 -3.304 11.691 1.00 0.00 C ATOM 0 H THR A 102 -0.232 -4.576 8.297 1.00 0.00 H new ATOM 0 HA THR A 102 1.549 -2.306 9.173 1.00 0.00 H new ATOM 0 HB THR A 102 0.679 -4.769 10.629 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.662 -3.229 11.853 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.454 -3.560 12.677 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.771 -3.848 11.515 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.036 -2.232 11.644 1.00 0.00 H new ATOM 1593 N GLU A 103 3.399 -3.583 7.895 1.00 0.00 N ATOM 1594 CA GLU A 103 4.614 -4.261 7.366 1.00 0.00 C ATOM 1595 C GLU A 103 5.850 -3.786 8.170 1.00 0.00 C ATOM 1596 O GLU A 103 6.153 -2.590 8.208 1.00 0.00 O ATOM 1597 CB GLU A 103 4.764 -3.965 5.849 1.00 0.00 C ATOM 1598 CG GLU A 103 5.897 -4.761 5.158 1.00 0.00 C ATOM 1599 CD GLU A 103 6.015 -4.447 3.665 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.723 -3.479 3.306 1.00 0.00 O ATOM 1601 OE2 GLU A 103 5.402 -5.163 2.843 1.00 0.00 O ATOM 0 H GLU A 103 3.307 -2.613 7.594 1.00 0.00 H new ATOM 0 HA GLU A 103 4.525 -5.341 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.821 -4.190 5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.949 -2.899 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.844 -4.536 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.717 -5.828 5.287 1.00 0.00 H new ATOM 1608 N LEU A 104 6.593 -4.743 8.751 1.00 0.00 N ATOM 1609 CA LEU A 104 7.880 -4.457 9.435 1.00 0.00 C ATOM 1610 C LEU A 104 9.023 -4.430 8.379 1.00 0.00 C ATOM 1611 O LEU A 104 9.243 -5.420 7.672 1.00 0.00 O ATOM 1612 CB LEU A 104 8.145 -5.522 10.539 1.00 0.00 C ATOM 1613 CG LEU A 104 8.865 -5.055 11.833 1.00 0.00 C ATOM 1614 CD1 LEU A 104 9.109 -6.273 12.743 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.194 -4.314 11.605 1.00 0.00 C ATOM 0 H LEU A 104 6.329 -5.728 8.764 1.00 0.00 H new ATOM 0 HA LEU A 104 7.837 -3.483 9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.186 -5.954 10.826 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.736 -6.324 10.097 1.00 0.00 H new ATOM 0 HG LEU A 104 8.199 -4.328 12.298 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.614 -5.951 13.654 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.154 -6.732 13.001 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.731 -6.999 12.220 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.621 -4.028 12.566 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.890 -4.968 11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.014 -3.420 11.008 1.00 0.00 H new ATOM 1627 N ASN A 105 9.741 -3.296 8.290 1.00 0.00 N ATOM 1628 CA ASN A 105 10.896 -3.138 7.360 1.00 0.00 C ATOM 1629 C ASN A 105 12.208 -2.997 8.193 1.00 0.00 C ATOM 1630 O ASN A 105 12.786 -1.908 8.292 1.00 0.00 O ATOM 1631 CB ASN A 105 10.665 -1.949 6.382 1.00 0.00 C ATOM 1632 CG ASN A 105 9.501 -2.108 5.381 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.670 -2.613 4.271 1.00 0.00 O ATOM 1634 ND2 ASN A 105 8.306 -1.683 5.758 1.00 0.00 N ATOM 0 H ASN A 105 9.548 -2.466 8.850 1.00 0.00 H new ATOM 0 HA ASN A 105 10.993 -4.024 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.490 -1.049 6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.583 -1.786 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.510 -1.772 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.180 -1.267 6.681 1.00 0.00 H new ATOM 1641 N GLY A 106 12.669 -4.114 8.792 1.00 0.00 N ATOM 1642 CA GLY A 106 13.905 -4.143 9.614 1.00 0.00 C ATOM 1643 C GLY A 106 13.682 -3.672 11.066 1.00 0.00 C ATOM 1644 O GLY A 106 13.364 -4.475 11.947 1.00 0.00 O ATOM 0 H GLY A 106 12.201 -5.018 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.302 -5.158 9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.660 -3.511 9.146 1.00 0.00 H new ATOM 1648 N ASP A 107 13.826 -2.355 11.273 1.00 0.00 N ATOM 1649 CA ASP A 107 13.299 -1.645 12.476 1.00 0.00 C ATOM 1650 C ASP A 107 11.975 -0.871 12.169 1.00 0.00 C ATOM 1651 O ASP A 107 11.049 -0.916 12.984 1.00 0.00 O ATOM 1652 CB ASP A 107 14.365 -0.677 13.063 1.00 0.00 C ATOM 1653 CG ASP A 107 15.567 -1.362 13.730 1.00 0.00 C ATOM 1654 OD1 ASP A 107 15.463 -1.751 14.915 1.00 0.00 O ATOM 1655 OD2 ASP A 107 16.619 -1.514 13.070 1.00 0.00 O ATOM 0 H ASP A 107 14.310 -1.740 10.618 1.00 0.00 H new ATOM 0 HA ASP A 107 13.070 -2.409 13.219 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.731 -0.034 12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.882 -0.030 13.795 1.00 0.00 H new ATOM 1660 N ILE A 108 11.889 -0.142 11.033 1.00 0.00 N ATOM 1661 CA ILE A 108 10.820 0.859 10.771 1.00 0.00 C ATOM 1662 C ILE A 108 9.525 0.118 10.312 1.00 0.00 C ATOM 1663 O ILE A 108 9.459 -0.414 9.201 1.00 0.00 O ATOM 1664 CB ILE A 108 11.336 1.951 9.764 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.564 2.746 10.305 1.00 0.00 C ATOM 1666 CG2 ILE A 108 10.221 2.950 9.361 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.351 3.553 9.262 1.00 0.00 C ATOM 0 H ILE A 108 12.558 -0.229 10.268 1.00 0.00 H new ATOM 0 HA ILE A 108 10.560 1.402 11.680 1.00 0.00 H new ATOM 0 HB ILE A 108 11.651 1.394 8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.217 3.430 11.080 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.246 2.043 10.783 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.625 3.685 8.665 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.403 2.410 8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.850 3.459 10.250 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.181 4.065 9.749 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.738 2.880 8.497 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.693 4.288 8.799 1.00 0.00 H new ATOM 1679 N ILE A 109 8.500 0.137 11.181 1.00 0.00 N ATOM 1680 CA ILE A 109 7.175 -0.475 10.910 1.00 0.00 C ATOM 1681 C ILE A 109 6.263 0.589 10.228 1.00 0.00 C ATOM 1682 O ILE A 109 6.020 1.669 10.778 1.00 0.00 O ATOM 1683 CB ILE A 109 6.609 -1.119 12.224 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.527 -2.195 11.951 1.00 0.00 C ATOM 1685 CG2 ILE A 109 6.102 -0.101 13.277 1.00 0.00 C ATOM 1686 CD1 ILE A 109 5.213 -3.048 13.187 1.00 0.00 C ATOM 0 H ILE A 109 8.561 0.578 12.098 1.00 0.00 H new ATOM 0 HA ILE A 109 7.240 -1.304 10.205 1.00 0.00 H new ATOM 0 HB ILE A 109 7.479 -1.608 12.662 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.614 -1.707 11.610 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.863 -2.844 11.142 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.729 -0.636 14.150 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.921 0.553 13.575 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.298 0.497 12.848 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.449 -3.784 12.937 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.117 -3.561 13.515 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.849 -2.406 13.989 1.00 0.00 H new ATOM 1698 N THR A 110 5.785 0.268 9.019 1.00 0.00 N ATOM 1699 CA THR A 110 4.954 1.186 8.201 1.00 0.00 C ATOM 1700 C THR A 110 3.497 0.642 8.246 1.00 0.00 C ATOM 1701 O THR A 110 3.187 -0.374 7.614 1.00 0.00 O ATOM 1702 CB THR A 110 5.544 1.271 6.762 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.893 1.729 6.809 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.779 2.228 5.835 1.00 0.00 C ATOM 0 H THR A 110 5.958 -0.633 8.573 1.00 0.00 H new ATOM 0 HA THR A 110 4.951 2.206 8.585 1.00 0.00 H new ATOM 0 HB THR A 110 5.465 0.261 6.361 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.254 1.777 5.899 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.248 2.234 4.851 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.745 1.895 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.800 3.234 6.253 1.00 0.00 H new ATOM 1712 N ASN A 111 2.619 1.341 8.990 1.00 0.00 N ATOM 1713 CA ASN A 111 1.178 0.991 9.090 1.00 0.00 C ATOM 1714 C ASN A 111 0.378 1.984 8.207 1.00 0.00 C ATOM 1715 O ASN A 111 0.123 3.130 8.589 1.00 0.00 O ATOM 1716 CB ASN A 111 0.771 0.919 10.591 1.00 0.00 C ATOM 1717 CG ASN A 111 -0.729 0.814 10.942 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.263 1.641 11.679 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.438 -0.187 10.445 1.00 0.00 N ATOM 0 H ASN A 111 2.880 2.161 9.538 1.00 0.00 H new ATOM 0 HA ASN A 111 0.948 -0.000 8.699 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.276 0.059 11.031 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.166 1.807 11.085 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.428 -0.273 10.673 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.994 -0.872 9.834 1.00 0.00 H new ATOM 1726 N THR A 112 -0.008 1.488 7.019 1.00 0.00 N ATOM 1727 CA THR A 112 -0.707 2.281 5.980 1.00 0.00 C ATOM 1728 C THR A 112 -2.235 2.062 6.171 1.00 0.00 C ATOM 1729 O THR A 112 -2.798 1.056 5.724 1.00 0.00 O ATOM 1730 CB THR A 112 -0.171 1.853 4.581 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.242 2.035 4.512 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.774 2.652 3.417 1.00 0.00 C ATOM 0 H THR A 112 0.155 0.519 6.746 1.00 0.00 H new ATOM 0 HA THR A 112 -0.519 3.351 6.063 1.00 0.00 H new ATOM 0 HB THR A 112 -0.459 0.807 4.477 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.564 1.760 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.353 2.298 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.856 2.517 3.405 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.542 3.710 3.543 1.00 0.00 H new ATOM 1740 N MET A 113 -2.876 3.029 6.845 1.00 0.00 N ATOM 1741 CA MET A 113 -4.330 2.994 7.142 1.00 0.00 C ATOM 1742 C MET A 113 -5.034 3.923 6.124 1.00 0.00 C ATOM 1743 O MET A 113 -5.050 5.147 6.287 1.00 0.00 O ATOM 1744 CB MET A 113 -4.593 3.436 8.608 1.00 0.00 C ATOM 1745 CG MET A 113 -4.054 2.480 9.687 1.00 0.00 C ATOM 1746 SD MET A 113 -4.454 3.087 11.342 1.00 0.00 S ATOM 1747 CE MET A 113 -6.138 2.477 11.566 1.00 0.00 C ATOM 0 H MET A 113 -2.407 3.861 7.203 1.00 0.00 H new ATOM 0 HA MET A 113 -4.726 1.983 7.047 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.147 4.419 8.760 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.668 3.549 8.749 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.482 1.487 9.546 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.974 2.379 9.583 1.00 0.00 H new ATOM 0 HE1 MET A 113 -6.417 2.557 12.617 1.00 0.00 H new ATOM 0 HE2 MET A 113 -6.824 3.071 10.962 1.00 0.00 H new ATOM 0 HE3 MET A 113 -6.191 1.434 11.255 1.00 0.00 H new ATOM 1757 N THR A 114 -5.585 3.325 5.054 1.00 0.00 N ATOM 1758 CA THR A 114 -6.196 4.073 3.928 1.00 0.00 C ATOM 1759 C THR A 114 -7.744 3.986 4.028 1.00 0.00 C ATOM 1760 O THR A 114 -8.335 2.906 3.940 1.00 0.00 O ATOM 1761 CB THR A 114 -5.582 3.630 2.569 1.00 0.00 C ATOM 1762 OG1 THR A 114 -6.043 4.502 1.542 1.00 0.00 O ATOM 1763 CG2 THR A 114 -5.827 2.181 2.110 1.00 0.00 C ATOM 0 H THR A 114 -5.622 2.312 4.940 1.00 0.00 H new ATOM 0 HA THR A 114 -5.958 5.135 3.991 1.00 0.00 H new ATOM 0 HB THR A 114 -4.508 3.684 2.747 1.00 0.00 H new ATOM 0 HG1 THR A 114 -5.658 4.229 0.683 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.341 2.017 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 114 -5.416 1.491 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.898 2.008 2.009 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.380 5.155 4.201 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.861 5.299 4.247 1.00 0.00 C ATOM 1773 C LEU A 115 -10.502 5.193 2.829 1.00 0.00 C ATOM 1774 O LEU A 115 -11.298 4.282 2.582 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.155 6.618 5.025 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.628 7.062 5.227 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.481 6.028 5.987 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -11.658 8.422 5.954 1.00 0.00 C ATOM 0 H LEU A 115 -7.886 6.040 4.315 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.338 4.476 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.701 6.526 6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.636 7.426 4.510 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.075 7.152 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.499 6.403 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.496 5.090 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.053 5.858 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.692 8.736 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.170 8.327 6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.133 9.166 5.355 1.00 0.00 H new ATOM 1790 N GLY A 116 -10.125 6.099 1.915 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.492 6.018 0.486 1.00 0.00 C ATOM 1792 C GLY A 116 -9.414 6.746 -0.329 1.00 0.00 C ATOM 1793 O GLY A 116 -8.470 6.117 -0.816 1.00 0.00 O ATOM 0 H GLY A 116 -9.555 6.913 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.568 4.977 0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.468 6.474 0.318 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.541 8.081 -0.416 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.443 8.972 -0.891 1.00 0.00 C ATOM 1799 C ASP A 117 -7.337 9.272 0.181 1.00 0.00 C ATOM 1800 O ASP A 117 -6.174 9.437 -0.199 1.00 0.00 O ATOM 1801 CB ASP A 117 -9.091 10.269 -1.447 1.00 0.00 C ATOM 1802 CG ASP A 117 -8.141 11.194 -2.224 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -7.866 10.919 -3.413 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -7.661 12.193 -1.642 1.00 0.00 O ATOM 0 H ASP A 117 -10.395 8.579 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.896 8.449 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.918 9.992 -2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.517 10.829 -0.615 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.686 9.377 1.484 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.762 9.841 2.557 1.00 0.00 C ATOM 1811 C ILE A 118 -5.907 8.623 3.022 1.00 0.00 C ATOM 1812 O ILE A 118 -6.444 7.618 3.501 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.574 10.508 3.726 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.397 11.759 3.278 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.663 10.904 4.918 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.580 12.113 4.193 1.00 0.00 C ATOM 0 H ILE A 118 -8.618 9.143 1.827 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.085 10.610 2.186 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.277 9.739 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.727 12.617 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.774 11.586 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.267 11.361 5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.171 10.014 5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.910 11.615 4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.091 12.993 3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.276 11.275 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.213 12.322 5.198 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.576 8.763 2.899 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.605 7.696 3.267 1.00 0.00 C ATOM 1830 C VAL A 119 -2.898 8.179 4.571 1.00 0.00 C ATOM 1831 O VAL A 119 -1.953 8.973 4.524 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.629 7.392 2.075 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.584 6.306 2.426 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -3.351 6.940 0.781 1.00 0.00 C ATOM 0 H VAL A 119 -4.136 9.612 2.544 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.090 6.740 3.463 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.137 8.348 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.935 6.135 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.984 6.638 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.096 5.379 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.614 6.748 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.916 6.029 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.032 7.725 0.451 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.352 7.663 5.727 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.692 7.890 7.043 1.00 0.00 C ATOM 1846 C PHE A 120 -1.552 6.845 7.228 1.00 0.00 C ATOM 1847 O PHE A 120 -1.768 5.736 7.728 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.794 7.843 8.138 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.387 7.903 9.625 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.506 8.879 10.104 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.957 6.997 10.529 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.215 8.956 11.462 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.651 7.068 11.883 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.784 8.051 12.351 1.00 0.00 C ATOM 0 H PHE A 120 -4.185 7.077 5.785 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.212 8.866 7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.476 8.673 7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.362 6.924 7.991 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -2.050 9.576 9.416 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.638 6.239 10.172 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.545 9.721 11.827 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.086 6.360 12.572 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.553 8.111 13.404 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.338 7.236 6.804 1.00 0.00 N ATOM 1865 CA LYS A 121 0.859 6.360 6.813 1.00 0.00 C ATOM 1866 C LYS A 121 1.691 6.692 8.079 1.00 0.00 C ATOM 1867 O LYS A 121 2.247 7.788 8.196 1.00 0.00 O ATOM 1868 CB LYS A 121 1.638 6.600 5.490 1.00 0.00 C ATOM 1869 CG LYS A 121 2.818 5.640 5.227 1.00 0.00 C ATOM 1870 CD LYS A 121 3.572 6.001 3.931 1.00 0.00 C ATOM 1871 CE LYS A 121 4.726 5.034 3.620 1.00 0.00 C ATOM 1872 NZ LYS A 121 5.442 5.421 2.392 1.00 0.00 N ATOM 0 H LYS A 121 -0.153 8.172 6.443 1.00 0.00 H new ATOM 0 HA LYS A 121 0.604 5.301 6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 121 0.938 6.523 4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.018 7.622 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.508 5.673 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.446 4.618 5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 121 2.870 6.001 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 121 3.966 7.014 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.423 5.017 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.334 4.023 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.214 4.747 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.782 5.413 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.837 6.376 2.507 1.00 0.00 H new ATOM 1886 N ARG A 122 1.763 5.734 9.015 1.00 0.00 N ATOM 1887 CA ARG A 122 2.477 5.909 10.305 1.00 0.00 C ATOM 1888 C ARG A 122 3.887 5.267 10.174 1.00 0.00 C ATOM 1889 O ARG A 122 4.022 4.038 10.155 1.00 0.00 O ATOM 1890 CB ARG A 122 1.671 5.225 11.441 1.00 0.00 C ATOM 1891 CG ARG A 122 0.355 5.923 11.857 1.00 0.00 C ATOM 1892 CD ARG A 122 -0.390 5.215 13.011 1.00 0.00 C ATOM 1893 NE ARG A 122 0.244 5.432 14.339 1.00 0.00 N ATOM 1894 CZ ARG A 122 1.036 4.545 14.976 1.00 0.00 C ATOM 1895 NH1 ARG A 122 1.333 3.334 14.506 1.00 0.00 N ATOM 1896 NH2 ARG A 122 1.555 4.904 16.136 1.00 0.00 N ATOM 0 H ARG A 122 1.332 4.816 8.907 1.00 0.00 H new ATOM 0 HA ARG A 122 2.579 6.967 10.546 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.436 4.207 11.130 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.312 5.150 12.319 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.577 6.948 12.155 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.305 5.979 10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.419 5.573 13.044 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -0.431 4.145 12.806 1.00 0.00 H new ATOM 0 HE ARG A 122 0.066 6.322 14.805 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.953 3.027 13.610 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.940 2.714 15.042 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.352 5.826 16.522 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.159 4.259 16.646 1.00 0.00 H new ATOM 1910 N ILE A 123 4.932 6.111 10.099 1.00 0.00 N ATOM 1911 CA ILE A 123 6.351 5.658 10.010 1.00 0.00 C ATOM 1912 C ILE A 123 6.863 5.592 11.484 1.00 0.00 C ATOM 1913 O ILE A 123 7.040 6.635 12.118 1.00 0.00 O ATOM 1914 CB ILE A 123 7.202 6.598 9.073 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.714 6.656 7.586 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.701 6.207 9.054 1.00 0.00 C ATOM 1917 CD1 ILE A 123 5.665 7.732 7.273 1.00 0.00 C ATOM 0 H ILE A 123 4.828 7.126 10.098 1.00 0.00 H new ATOM 0 HA ILE A 123 6.446 4.678 9.542 1.00 0.00 H new ATOM 0 HB ILE A 123 7.061 7.583 9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.580 6.821 6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.301 5.683 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.245 6.883 8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.108 6.278 10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.806 5.185 8.691 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.398 7.684 6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.776 7.561 7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.075 8.716 7.499 1.00 0.00 H new ATOM 1929 N SER A 124 7.063 4.369 12.015 1.00 0.00 N ATOM 1930 CA SER A 124 7.352 4.149 13.463 1.00 0.00 C ATOM 1931 C SER A 124 8.666 3.338 13.624 1.00 0.00 C ATOM 1932 O SER A 124 8.712 2.151 13.301 1.00 0.00 O ATOM 1933 CB SER A 124 6.143 3.432 14.121 1.00 0.00 C ATOM 1934 OG SER A 124 5.027 4.302 14.258 1.00 0.00 O ATOM 0 H SER A 124 7.031 3.509 11.467 1.00 0.00 H new ATOM 0 HA SER A 124 7.496 5.104 13.968 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.860 2.569 13.519 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.433 3.055 15.102 1.00 0.00 H new ATOM 0 HG SER A 124 4.284 3.817 14.674 1.00 0.00 H new ATOM 1940 N LYS A 125 9.739 3.967 14.141 1.00 0.00 N ATOM 1941 CA LYS A 125 11.061 3.299 14.317 1.00 0.00 C ATOM 1942 C LYS A 125 11.122 2.484 15.645 1.00 0.00 C ATOM 1943 O LYS A 125 10.745 2.981 16.712 1.00 0.00 O ATOM 1944 CB LYS A 125 12.181 4.371 14.214 1.00 0.00 C ATOM 1945 CG LYS A 125 13.615 3.801 14.126 1.00 0.00 C ATOM 1946 CD LYS A 125 14.690 4.890 13.949 1.00 0.00 C ATOM 1947 CE LYS A 125 16.117 4.315 13.919 1.00 0.00 C ATOM 1948 NZ LYS A 125 17.121 5.383 13.761 1.00 0.00 N ATOM 0 H LYS A 125 9.725 4.940 14.448 1.00 0.00 H new ATOM 0 HA LYS A 125 11.211 2.567 13.523 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.995 4.987 13.335 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.118 5.027 15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.829 3.232 15.030 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.672 3.104 13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.502 5.434 13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.610 5.610 14.763 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.309 3.765 14.840 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.208 3.603 13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 18.073 4.965 13.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.950 5.891 12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.049 6.048 14.558 1.00 0.00 H new ATOM 1962 N ARG A 126 11.645 1.243 15.561 1.00 0.00 N ATOM 1963 CA ARG A 126 11.806 0.343 16.736 1.00 0.00 C ATOM 1964 C ARG A 126 12.967 0.795 17.673 1.00 0.00 C ATOM 1965 O ARG A 126 14.064 1.137 17.217 1.00 0.00 O ATOM 1966 CB ARG A 126 12.024 -1.115 16.243 1.00 0.00 C ATOM 1967 CG ARG A 126 11.840 -2.203 17.325 1.00 0.00 C ATOM 1968 CD ARG A 126 12.142 -3.626 16.814 1.00 0.00 C ATOM 1969 NE ARG A 126 11.931 -4.654 17.865 1.00 0.00 N ATOM 1970 CZ ARG A 126 12.844 -5.003 18.797 1.00 0.00 C ATOM 1971 NH1 ARG A 126 14.061 -4.471 18.885 1.00 0.00 N ATOM 1972 NH2 ARG A 126 12.510 -5.927 19.679 1.00 0.00 N ATOM 0 H ARG A 126 11.968 0.833 14.685 1.00 0.00 H new ATOM 0 HA ARG A 126 10.893 0.394 17.330 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.330 -1.314 15.427 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.031 -1.198 15.833 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.493 -1.981 18.169 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.816 -2.167 17.696 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.504 -3.847 15.959 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.173 -3.673 16.463 1.00 0.00 H new ATOM 0 HE ARG A 126 11.030 -5.132 17.884 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.353 -3.753 18.222 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.702 -4.782 19.615 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.585 -6.355 19.644 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.177 -6.213 20.396 1.00 0.00 H new ATOM 1986 N ILE A 127 12.705 0.725 18.992 1.00 0.00 N ATOM 1987 CA ILE A 127 13.723 0.953 20.050 1.00 0.00 C ATOM 1988 C ILE A 127 14.325 -0.442 20.333 1.00 0.00 C ATOM 1989 O ILE A 127 15.256 -0.883 19.656 1.00 0.00 O ATOM 1990 CB ILE A 127 13.097 1.622 21.327 1.00 0.00 C ATOM 1991 CG1 ILE A 127 12.453 3.016 21.038 1.00 0.00 C ATOM 1992 CG2 ILE A 127 14.134 1.761 22.477 1.00 0.00 C ATOM 1993 CD1 ILE A 127 11.539 3.570 22.144 1.00 0.00 C ATOM 0 H ILE A 127 11.779 0.508 19.361 1.00 0.00 H new ATOM 0 HA ILE A 127 14.495 1.655 19.734 1.00 0.00 H new ATOM 0 HB ILE A 127 12.302 0.945 21.641 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.252 3.735 20.859 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.875 2.945 20.116 1.00 0.00 H new ATOM 0 HG21 ILE A 127 13.660 2.228 23.340 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.503 0.774 22.756 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.968 2.379 22.143 1.00 0.00 H new ATOM 0 HD11 ILE A 127 11.146 4.540 21.840 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.712 2.880 22.312 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.110 3.683 23.066 1.00 0.00 H new