USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 961 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 81 ASN : amide:sc= -6.34! C(o=-28!,f=-38!) USER MOD Set 1.2: A 85 GLN : amide:sc= -21.9! C(o=-28!,f=-26!) USER MOD Set 2.1: A 22 THR OG1 : rot -3:sc= -0.897 USER MOD Set 2.2: A 35 ASN : amide:sc= -14.3! C(o=-21!,f=-35!) USER MOD Set 2.3: A 37 THR OG1 : rot -170:sc= 0.386 USER MOD Set 2.4: A 41 LYS NZ :NH3+ 176:sc= -6.58! (180deg=-6.96!) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -53.9! C(o=-87!,f=-82!) USER MOD Set 3.2: A 38 HIS : no HD1:sc= -33.3! C(o=-87!,f=-85!) USER MOD Set 4.1: A 3 ASN : amide:sc= -3.94! C(o=-6.9!,f=-8.4!) USER MOD Set 4.2: A 4 GLN : amide:sc= -2.93! C(o=-6.9!,f=-9.3!) USER MOD Single : A 2 SER OG : rot -129:sc= -18.2! USER MOD Single : A 6 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 64:sc= 0.491 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -95:sc= -5.17! USER MOD Single : A 24 SER OG : rot 180:sc= -0.102 USER MOD Single : A 26 MET CE :methyl 170:sc= -5.76! (180deg=-6.51!) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= -6.73! (180deg=-7.45!) USER MOD Single : A 29 LYS NZ :NH3+ 134:sc= -0.614 (180deg=-2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -48.2! C(o=-48!,f=-40!) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.105) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -2.71! (180deg=-3.15!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -123:sc=-0.00976 (180deg=-0.292) USER MOD Single : A 60 LYS NZ :NH3+ -116:sc= -12.9! (180deg=-15.7!) USER MOD Single : A 62 THR OG1 : rot -160:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -19.4! C(o=-19!,f=-18!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -9.5! C(o=-9.5!,f=-3.7!) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -1.61! (180deg=-2.37!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -54.6! C(o=-55!,f=-53!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 145:sc= -1.28 (180deg=-4!) USER MOD Single : A 89 LYS NZ :NH3+ -150:sc= -3.67! (180deg=-6.09!) USER MOD Single : A 91 SER OG : rot -99:sc= -7.69! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -3.06! C(o=-3.1!,f=-9.3!) USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= -2.2! (180deg=-2.87!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 104 GLN : amide:sc= -10.3! C(o=-10!,f=-6.7!) USER MOD Single : A 105 THR OG1 : rot 133:sc= 0.7 USER MOD Single : A 108 SER OG : rot -9:sc= -0.346! USER MOD Single : A 110 SER OG : rot -46:sc= -0.0843 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -1.26! K(o=-1.3!,f=0.051) USER MOD Single : A 118 HIS : no HD1:sc= -1.56! K(o=-1.6!,f=-0.51) USER MOD Single : A 119 HIS : no HE2:sc= -0.704 K(o=-0.7,f=-1.3) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -4.316 -4.786 9.623 1.00 1.00 N ATOM 2 CA SER A 2 -5.214 -3.740 10.192 1.00 1.00 C ATOM 3 C SER A 2 -5.027 -2.417 9.442 1.00 1.00 C ATOM 4 O SER A 2 -5.322 -2.310 8.269 1.00 1.00 O ATOM 5 CB SER A 2 -4.780 -3.595 11.649 1.00 1.00 C ATOM 6 OG SER A 2 -5.189 -2.324 12.137 1.00 1.00 O ATOM 0 HA SER A 2 -6.267 -4.008 10.105 1.00 1.00 H new ATOM 0 HB2 SER A 2 -5.221 -4.388 12.252 1.00 1.00 H new ATOM 0 HB3 SER A 2 -3.698 -3.697 11.730 1.00 1.00 H new ATOM 0 HG SER A 2 -4.426 -1.873 12.555 1.00 1.00 H new ATOM 12 N ASN A 3 -4.539 -1.409 10.112 1.00 1.00 N ATOM 13 CA ASN A 3 -4.335 -0.095 9.439 1.00 1.00 C ATOM 14 C ASN A 3 -3.074 -0.135 8.570 1.00 1.00 C ATOM 15 O ASN A 3 -2.582 0.882 8.126 1.00 1.00 O ATOM 16 CB ASN A 3 -4.170 0.912 10.577 1.00 1.00 C ATOM 17 CG ASN A 3 -2.728 0.876 11.086 1.00 1.00 C ATOM 18 OD1 ASN A 3 -1.799 1.068 10.328 1.00 1.00 O ATOM 19 ND2 ASN A 3 -2.501 0.637 12.349 1.00 1.00 N ATOM 0 H ASN A 3 -4.273 -1.439 11.096 1.00 1.00 H new ATOM 0 HA ASN A 3 -5.165 0.165 8.782 1.00 1.00 H new ATOM 0 HB2 ASN A 3 -4.419 1.914 10.229 1.00 1.00 H new ATOM 0 HB3 ASN A 3 -4.859 0.676 11.388 1.00 1.00 H new ATOM 0 HD21 ASN A 3 -1.543 0.612 12.699 1.00 1.00 H new ATOM 0 HD22 ASN A 3 -3.281 0.476 12.986 1.00 1.00 H new ATOM 26 N GLN A 4 -2.548 -1.304 8.327 1.00 1.00 N ATOM 27 CA GLN A 4 -1.319 -1.408 7.488 1.00 1.00 C ATOM 28 C GLN A 4 -1.650 -1.100 6.025 1.00 1.00 C ATOM 29 O GLN A 4 -2.305 -1.871 5.351 1.00 1.00 O ATOM 30 CB GLN A 4 -0.858 -2.858 7.641 1.00 1.00 C ATOM 31 CG GLN A 4 0.186 -2.948 8.756 1.00 1.00 C ATOM 32 CD GLN A 4 -0.196 -1.997 9.891 1.00 1.00 C ATOM 33 OE1 GLN A 4 -0.048 -0.798 9.771 1.00 1.00 O ATOM 34 NE2 GLN A 4 -0.683 -2.486 10.998 1.00 1.00 N ATOM 0 H GLN A 4 -2.915 -2.191 8.672 1.00 1.00 H new ATOM 0 HA GLN A 4 -0.548 -0.701 7.794 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -1.709 -3.499 7.873 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -0.435 -3.217 6.703 1.00 1.00 H new ATOM 0 HG2 GLN A 4 0.248 -3.970 9.129 1.00 1.00 H new ATOM 0 HG3 GLN A 4 1.171 -2.690 8.368 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -0.808 -3.493 11.099 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -0.939 -1.861 11.762 1.00 1.00 H new ATOM 43 N ILE A 5 -1.203 0.021 5.530 1.00 1.00 N ATOM 44 CA ILE A 5 -1.494 0.379 4.111 1.00 1.00 C ATOM 45 C ILE A 5 -0.187 0.548 3.329 1.00 1.00 C ATOM 46 O ILE A 5 0.455 1.578 3.389 1.00 1.00 O ATOM 47 CB ILE A 5 -2.254 1.704 4.186 1.00 1.00 C ATOM 48 CG1 ILE A 5 -3.590 1.482 4.898 1.00 1.00 C ATOM 49 CG2 ILE A 5 -2.511 2.227 2.773 1.00 1.00 C ATOM 50 CD1 ILE A 5 -3.369 1.491 6.413 1.00 1.00 C ATOM 0 H ILE A 5 -0.649 0.705 6.045 1.00 1.00 H new ATOM 0 HA ILE A 5 -2.070 -0.392 3.599 1.00 1.00 H new ATOM 0 HB ILE A 5 -1.661 2.433 4.739 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -4.297 2.263 4.618 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -4.025 0.532 4.589 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -3.053 3.171 2.827 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -1.560 2.383 2.264 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -3.104 1.500 2.218 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -4.321 1.333 6.920 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -2.676 0.694 6.684 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -2.953 2.452 6.714 1.00 1.00 H new ATOM 62 N TYR A 6 0.210 -0.457 2.596 1.00 1.00 N ATOM 63 CA TYR A 6 1.475 -0.357 1.811 1.00 1.00 C ATOM 64 C TYR A 6 1.191 0.204 0.414 1.00 1.00 C ATOM 65 O TYR A 6 0.058 0.284 -0.015 1.00 1.00 O ATOM 66 CB TYR A 6 1.996 -1.792 1.716 1.00 1.00 C ATOM 67 CG TYR A 6 2.100 -2.383 3.101 1.00 1.00 C ATOM 68 CD1 TYR A 6 2.556 -1.595 4.165 1.00 1.00 C ATOM 69 CD2 TYR A 6 1.742 -3.718 3.322 1.00 1.00 C ATOM 70 CE1 TYR A 6 2.653 -2.143 5.451 1.00 1.00 C ATOM 71 CE2 TYR A 6 1.839 -4.266 4.607 1.00 1.00 C ATOM 72 CZ TYR A 6 2.294 -3.478 5.671 1.00 1.00 C ATOM 73 OH TYR A 6 2.390 -4.019 6.937 1.00 1.00 O ATOM 0 H TYR A 6 -0.287 -1.343 2.507 1.00 1.00 H new ATOM 0 HA TYR A 6 2.199 0.311 2.279 1.00 1.00 H new ATOM 0 HB2 TYR A 6 1.326 -2.393 1.102 1.00 1.00 H new ATOM 0 HB3 TYR A 6 2.971 -1.805 1.230 1.00 1.00 H new ATOM 0 HD1 TYR A 6 2.833 -0.565 3.994 1.00 1.00 H new ATOM 0 HD2 TYR A 6 1.391 -4.326 2.501 1.00 1.00 H new ATOM 0 HE1 TYR A 6 3.005 -1.536 6.272 1.00 1.00 H new ATOM 0 HE2 TYR A 6 1.563 -5.296 4.777 1.00 1.00 H new ATOM 0 HH TYR A 6 2.101 -4.955 6.915 1.00 1.00 H new ATOM 83 N SER A 7 2.214 0.594 -0.298 1.00 1.00 N ATOM 84 CA SER A 7 2.002 1.151 -1.666 1.00 1.00 C ATOM 85 C SER A 7 2.567 0.196 -2.722 1.00 1.00 C ATOM 86 O SER A 7 3.561 -0.468 -2.506 1.00 1.00 O ATOM 87 CB SER A 7 2.765 2.474 -1.677 1.00 1.00 C ATOM 88 OG SER A 7 3.475 2.597 -2.903 1.00 1.00 O ATOM 0 H SER A 7 3.186 0.551 0.008 1.00 1.00 H new ATOM 0 HA SER A 7 0.945 1.287 -1.896 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.072 3.307 -1.559 1.00 1.00 H new ATOM 0 HB3 SER A 7 3.458 2.514 -0.837 1.00 1.00 H new ATOM 0 HG SER A 7 3.965 3.446 -2.914 1.00 1.00 H new ATOM 94 N ALA A 8 1.940 0.125 -3.865 1.00 1.00 N ATOM 95 CA ALA A 8 2.438 -0.783 -4.938 1.00 1.00 C ATOM 96 C ALA A 8 2.075 -0.221 -6.316 1.00 1.00 C ATOM 97 O ALA A 8 1.179 0.588 -6.449 1.00 1.00 O ATOM 98 CB ALA A 8 1.723 -2.113 -4.696 1.00 1.00 C ATOM 0 H ALA A 8 1.103 0.657 -4.102 1.00 1.00 H new ATOM 0 HA ALA A 8 3.522 -0.894 -4.915 1.00 1.00 H new ATOM 0 HB1 ALA A 8 2.037 -2.837 -5.448 1.00 1.00 H new ATOM 0 HB2 ALA A 8 1.976 -2.487 -3.704 1.00 1.00 H new ATOM 0 HB3 ALA A 8 0.645 -1.964 -4.764 1.00 1.00 H new ATOM 104 N ARG A 9 2.762 -0.645 -7.344 1.00 1.00 N ATOM 105 CA ARG A 9 2.448 -0.133 -8.710 1.00 1.00 C ATOM 106 C ARG A 9 2.268 -1.299 -9.685 1.00 1.00 C ATOM 107 O ARG A 9 3.180 -2.065 -9.927 1.00 1.00 O ATOM 108 CB ARG A 9 3.656 0.717 -9.106 1.00 1.00 C ATOM 109 CG ARG A 9 3.622 0.979 -10.613 1.00 1.00 C ATOM 110 CD ARG A 9 4.443 -0.090 -11.336 1.00 1.00 C ATOM 111 NE ARG A 9 5.861 0.230 -11.010 1.00 1.00 N ATOM 112 CZ ARG A 9 6.463 1.214 -11.618 1.00 1.00 C ATOM 113 NH1 ARG A 9 5.825 1.919 -12.511 1.00 1.00 N ATOM 114 NH2 ARG A 9 7.706 1.495 -11.332 1.00 1.00 N ATOM 0 H ARG A 9 3.524 -1.321 -7.297 1.00 1.00 H new ATOM 0 HA ARG A 9 1.523 0.443 -8.730 1.00 1.00 H new ATOM 0 HB2 ARG A 9 3.644 1.661 -8.561 1.00 1.00 H new ATOM 0 HB3 ARG A 9 4.579 0.205 -8.836 1.00 1.00 H new ATOM 0 HG2 ARG A 9 2.593 0.967 -10.972 1.00 1.00 H new ATOM 0 HG3 ARG A 9 4.023 1.969 -10.830 1.00 1.00 H new ATOM 0 HD2 ARG A 9 4.176 -1.091 -10.996 1.00 1.00 H new ATOM 0 HD3 ARG A 9 4.269 -0.062 -12.412 1.00 1.00 H new ATOM 0 HE ARG A 9 6.361 -0.320 -10.312 1.00 1.00 H new ATOM 0 HH11 ARG A 9 4.854 1.701 -12.734 1.00 1.00 H new ATOM 0 HH12 ARG A 9 6.297 2.688 -12.986 1.00 1.00 H new ATOM 0 HH21 ARG A 9 8.205 0.945 -10.633 1.00 1.00 H new ATOM 0 HH22 ARG A 9 8.177 2.265 -11.807 1.00 1.00 H new ATOM 127 N TYR A 10 1.098 -1.440 -10.247 1.00 1.00 N ATOM 128 CA TYR A 10 0.862 -2.558 -11.204 1.00 1.00 C ATOM 129 C TYR A 10 -0.082 -2.112 -12.326 1.00 1.00 C ATOM 130 O TYR A 10 -0.786 -1.129 -12.206 1.00 1.00 O ATOM 131 CB TYR A 10 0.211 -3.663 -10.370 1.00 1.00 C ATOM 132 CG TYR A 10 1.278 -4.575 -9.817 1.00 1.00 C ATOM 133 CD1 TYR A 10 2.071 -5.333 -10.686 1.00 1.00 C ATOM 134 CD2 TYR A 10 1.475 -4.663 -8.433 1.00 1.00 C ATOM 135 CE1 TYR A 10 3.060 -6.181 -10.172 1.00 1.00 C ATOM 136 CE2 TYR A 10 2.464 -5.511 -7.920 1.00 1.00 C ATOM 137 CZ TYR A 10 3.257 -6.269 -8.789 1.00 1.00 C ATOM 138 OH TYR A 10 4.231 -7.105 -8.283 1.00 1.00 O ATOM 0 H TYR A 10 0.297 -0.830 -10.085 1.00 1.00 H new ATOM 0 HA TYR A 10 1.785 -2.891 -11.679 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.366 -3.226 -9.555 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.486 -4.233 -10.984 1.00 1.00 H new ATOM 0 HD1 TYR A 10 1.920 -5.264 -11.753 1.00 1.00 H new ATOM 0 HD2 TYR A 10 0.864 -4.077 -7.762 1.00 1.00 H new ATOM 0 HE1 TYR A 10 3.671 -6.767 -10.843 1.00 1.00 H new ATOM 0 HE2 TYR A 10 2.615 -5.580 -6.853 1.00 1.00 H new ATOM 0 HH TYR A 10 4.236 -7.046 -7.305 1.00 1.00 H new ATOM 148 N SER A 11 -0.105 -2.835 -13.412 1.00 1.00 N ATOM 149 CA SER A 11 -1.008 -2.467 -14.541 1.00 1.00 C ATOM 150 C SER A 11 -0.732 -1.037 -15.017 1.00 1.00 C ATOM 151 O SER A 11 -1.632 -0.326 -15.420 1.00 1.00 O ATOM 152 CB SER A 11 -2.419 -2.576 -13.967 1.00 1.00 C ATOM 153 OG SER A 11 -2.973 -1.274 -13.833 1.00 1.00 O ATOM 0 H SER A 11 0.464 -3.667 -13.567 1.00 1.00 H new ATOM 0 HA SER A 11 -0.862 -3.114 -15.406 1.00 1.00 H new ATOM 0 HB2 SER A 11 -3.044 -3.184 -14.621 1.00 1.00 H new ATOM 0 HB3 SER A 11 -2.392 -3.074 -12.998 1.00 1.00 H new ATOM 0 HG SER A 11 -3.061 -0.863 -14.718 1.00 1.00 H new ATOM 159 N GLY A 12 0.501 -0.609 -14.985 1.00 1.00 N ATOM 160 CA GLY A 12 0.820 0.772 -15.448 1.00 1.00 C ATOM 161 C GLY A 12 0.300 1.793 -14.435 1.00 1.00 C ATOM 162 O GLY A 12 0.596 2.969 -14.518 1.00 1.00 O ATOM 0 H GLY A 12 1.299 -1.154 -14.659 1.00 1.00 H new ATOM 0 HA2 GLY A 12 1.897 0.884 -15.570 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.368 0.952 -16.423 1.00 1.00 H new ATOM 166 N VAL A 13 -0.473 1.356 -13.480 1.00 1.00 N ATOM 167 CA VAL A 13 -1.011 2.305 -12.464 1.00 1.00 C ATOM 168 C VAL A 13 -0.730 1.778 -11.055 1.00 1.00 C ATOM 169 O VAL A 13 -0.878 0.604 -10.782 1.00 1.00 O ATOM 170 CB VAL A 13 -2.515 2.359 -12.729 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.035 3.768 -12.439 1.00 1.00 C ATOM 172 CG2 VAL A 13 -2.786 2.008 -14.192 1.00 1.00 C ATOM 0 H VAL A 13 -0.756 0.383 -13.359 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.552 3.291 -12.533 1.00 1.00 H new ATOM 0 HB VAL A 13 -3.024 1.644 -12.082 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.108 3.806 -12.628 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -2.841 4.020 -11.396 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -2.527 4.484 -13.086 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -3.859 2.046 -14.383 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.277 2.723 -14.838 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.416 1.004 -14.400 1.00 1.00 H new ATOM 182 N ASP A 14 -0.319 2.633 -10.158 1.00 1.00 N ATOM 183 CA ASP A 14 -0.020 2.171 -8.774 1.00 1.00 C ATOM 184 C ASP A 14 -1.309 2.040 -7.959 1.00 1.00 C ATOM 185 O ASP A 14 -2.333 2.599 -8.295 1.00 1.00 O ATOM 186 CB ASP A 14 0.881 3.254 -8.183 1.00 1.00 C ATOM 187 CG ASP A 14 1.667 3.934 -9.304 1.00 1.00 C ATOM 188 OD1 ASP A 14 1.871 3.300 -10.326 1.00 1.00 O ATOM 189 OD2 ASP A 14 2.053 5.078 -9.123 1.00 1.00 O ATOM 0 H ASP A 14 -0.178 3.629 -10.324 1.00 1.00 H new ATOM 0 HA ASP A 14 0.456 1.190 -8.764 1.00 1.00 H new ATOM 0 HB2 ASP A 14 0.280 3.990 -7.648 1.00 1.00 H new ATOM 0 HB3 ASP A 14 1.567 2.815 -7.458 1.00 1.00 H new ATOM 194 N VAL A 15 -1.255 1.297 -6.888 1.00 1.00 N ATOM 195 CA VAL A 15 -2.464 1.111 -6.036 1.00 1.00 C ATOM 196 C VAL A 15 -2.041 0.883 -4.583 1.00 1.00 C ATOM 197 O VAL A 15 -0.868 0.843 -4.270 1.00 1.00 O ATOM 198 CB VAL A 15 -3.160 -0.129 -6.597 1.00 1.00 C ATOM 199 CG1 VAL A 15 -3.870 0.230 -7.903 1.00 1.00 C ATOM 200 CG2 VAL A 15 -2.120 -1.218 -6.866 1.00 1.00 C ATOM 0 H VAL A 15 -0.421 0.808 -6.564 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.122 1.980 -6.047 1.00 1.00 H new ATOM 0 HB VAL A 15 -3.891 -0.493 -5.875 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -4.366 -0.655 -8.303 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.611 1.007 -7.713 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -3.140 0.594 -8.626 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -2.615 -2.103 -7.266 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.390 -0.853 -7.588 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -1.613 -1.475 -5.936 1.00 1.00 H new ATOM 210 N TYR A 16 -2.982 0.722 -3.694 1.00 1.00 N ATOM 211 CA TYR A 16 -2.620 0.483 -2.267 1.00 1.00 C ATOM 212 C TYR A 16 -3.044 -0.930 -1.862 1.00 1.00 C ATOM 213 O TYR A 16 -4.086 -1.410 -2.259 1.00 1.00 O ATOM 214 CB TYR A 16 -3.408 1.529 -1.477 1.00 1.00 C ATOM 215 CG TYR A 16 -3.339 2.856 -2.191 1.00 1.00 C ATOM 216 CD1 TYR A 16 -4.200 3.120 -3.263 1.00 1.00 C ATOM 217 CD2 TYR A 16 -2.414 3.824 -1.782 1.00 1.00 C ATOM 218 CE1 TYR A 16 -4.135 4.351 -3.926 1.00 1.00 C ATOM 219 CE2 TYR A 16 -2.350 5.056 -2.444 1.00 1.00 C ATOM 220 CZ TYR A 16 -3.211 5.319 -3.516 1.00 1.00 C ATOM 221 OH TYR A 16 -3.148 6.533 -4.170 1.00 1.00 O ATOM 0 H TYR A 16 -3.982 0.745 -3.892 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.548 0.565 -2.085 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.446 1.214 -1.372 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.000 1.624 -0.471 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -4.914 2.374 -3.578 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -1.749 3.620 -0.955 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -4.798 4.554 -4.754 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -1.637 5.803 -2.128 1.00 1.00 H new ATOM 0 HH TYR A 16 -2.454 7.090 -3.759 1.00 1.00 H new ATOM 231 N GLU A 17 -2.247 -1.606 -1.081 1.00 1.00 N ATOM 232 CA GLU A 17 -2.617 -2.989 -0.669 1.00 1.00 C ATOM 233 C GLU A 17 -2.741 -3.079 0.853 1.00 1.00 C ATOM 234 O GLU A 17 -1.801 -2.826 1.581 1.00 1.00 O ATOM 235 CB GLU A 17 -1.471 -3.870 -1.167 1.00 1.00 C ATOM 236 CG GLU A 17 -1.178 -3.545 -2.633 1.00 1.00 C ATOM 237 CD GLU A 17 0.246 -3.986 -2.979 1.00 1.00 C ATOM 238 OE1 GLU A 17 0.916 -4.501 -2.099 1.00 1.00 O ATOM 239 OE2 GLU A 17 0.642 -3.799 -4.118 1.00 1.00 O ATOM 0 H GLU A 17 -1.360 -1.263 -0.712 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.578 -3.296 -1.081 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -0.580 -3.703 -0.561 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.735 -4.922 -1.062 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -1.894 -4.052 -3.279 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -1.292 -2.475 -2.809 1.00 1.00 H new ATOM 246 N PHE A 18 -3.896 -3.440 1.337 1.00 1.00 N ATOM 247 CA PHE A 18 -4.091 -3.552 2.809 1.00 1.00 C ATOM 248 C PHE A 18 -4.795 -4.868 3.146 1.00 1.00 C ATOM 249 O PHE A 18 -5.700 -5.292 2.457 1.00 1.00 O ATOM 250 CB PHE A 18 -4.976 -2.362 3.181 1.00 1.00 C ATOM 251 CG PHE A 18 -5.182 -1.487 1.969 1.00 1.00 C ATOM 252 CD1 PHE A 18 -4.083 -1.075 1.206 1.00 1.00 C ATOM 253 CD2 PHE A 18 -6.475 -1.089 1.605 1.00 1.00 C ATOM 254 CE1 PHE A 18 -4.275 -0.264 0.082 1.00 1.00 C ATOM 255 CE2 PHE A 18 -6.667 -0.278 0.481 1.00 1.00 C ATOM 256 CZ PHE A 18 -5.567 0.135 -0.281 1.00 1.00 C ATOM 0 H PHE A 18 -4.717 -3.663 0.774 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.147 -3.545 3.355 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -5.937 -2.714 3.556 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.512 -1.787 3.983 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.086 -1.383 1.485 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -7.324 -1.408 2.192 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -3.427 0.054 -0.506 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -7.664 0.030 0.201 1.00 1.00 H new ATOM 0 HZ PHE A 18 -5.715 0.761 -1.148 1.00 1.00 H new ATOM 266 N ILE A 19 -4.390 -5.515 4.204 1.00 1.00 N ATOM 267 CA ILE A 19 -5.043 -6.800 4.582 1.00 1.00 C ATOM 268 C ILE A 19 -6.369 -6.520 5.291 1.00 1.00 C ATOM 269 O ILE A 19 -6.445 -5.701 6.185 1.00 1.00 O ATOM 270 CB ILE A 19 -4.058 -7.483 5.530 1.00 1.00 C ATOM 271 CG1 ILE A 19 -3.437 -8.694 4.831 1.00 1.00 C ATOM 272 CG2 ILE A 19 -4.795 -7.944 6.789 1.00 1.00 C ATOM 273 CD1 ILE A 19 -2.602 -8.223 3.639 1.00 1.00 C ATOM 0 H ILE A 19 -3.637 -5.211 4.822 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.268 -7.424 3.717 1.00 1.00 H new ATOM 0 HB ILE A 19 -3.273 -6.779 5.807 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -2.811 -9.249 5.530 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -4.220 -9.374 4.494 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.092 -8.431 7.465 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.239 -7.082 7.287 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.580 -8.648 6.514 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -2.160 -9.086 3.141 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -3.240 -7.687 2.937 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -1.810 -7.560 3.989 1.00 1.00 H new ATOM 285 N HIS A 20 -7.414 -7.195 4.902 1.00 1.00 N ATOM 286 CA HIS A 20 -8.733 -6.967 5.556 1.00 1.00 C ATOM 287 C HIS A 20 -9.566 -8.248 5.512 1.00 1.00 C ATOM 288 O HIS A 20 -9.050 -9.340 5.649 1.00 1.00 O ATOM 289 CB HIS A 20 -9.398 -5.864 4.733 1.00 1.00 C ATOM 290 CG HIS A 20 -9.883 -4.776 5.651 1.00 1.00 C ATOM 291 ND1 HIS A 20 -9.811 -4.887 7.030 1.00 1.00 N ATOM 292 CD2 HIS A 20 -10.448 -3.550 5.402 1.00 1.00 C ATOM 293 CE1 HIS A 20 -10.321 -3.758 7.555 1.00 1.00 C ATOM 294 NE2 HIS A 20 -10.725 -2.908 6.607 1.00 1.00 N ATOM 0 H HIS A 20 -7.412 -7.895 4.160 1.00 1.00 H new ATOM 0 HA HIS A 20 -8.634 -6.686 6.605 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -8.690 -5.457 4.012 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.233 -6.273 4.164 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -9.439 -5.680 7.552 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -10.647 -3.145 4.421 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -10.395 -3.563 8.615 1.00 1.00 H new ATOM 302 N SER A 21 -10.847 -8.126 5.302 1.00 1.00 N ATOM 303 CA SER A 21 -11.701 -9.344 5.233 1.00 1.00 C ATOM 304 C SER A 21 -11.316 -10.161 3.999 1.00 1.00 C ATOM 305 O SER A 21 -11.325 -11.376 4.014 1.00 1.00 O ATOM 306 CB SER A 21 -13.133 -8.824 5.110 1.00 1.00 C ATOM 307 OG SER A 21 -14.025 -9.927 5.014 1.00 1.00 O ATOM 0 H SER A 21 -11.337 -7.241 5.176 1.00 1.00 H new ATOM 0 HA SER A 21 -11.585 -9.990 6.104 1.00 1.00 H new ATOM 0 HB2 SER A 21 -13.386 -8.211 5.975 1.00 1.00 H new ATOM 0 HB3 SER A 21 -13.227 -8.187 4.230 1.00 1.00 H new ATOM 0 HG SER A 21 -14.210 -10.117 4.071 1.00 1.00 H new ATOM 313 N THR A 22 -10.958 -9.496 2.935 1.00 1.00 N ATOM 314 CA THR A 22 -10.548 -10.221 1.701 1.00 1.00 C ATOM 315 C THR A 22 -9.026 -10.348 1.673 1.00 1.00 C ATOM 316 O THR A 22 -8.438 -10.710 0.674 1.00 1.00 O ATOM 317 CB THR A 22 -11.039 -9.351 0.543 1.00 1.00 C ATOM 318 OG1 THR A 22 -12.377 -8.944 0.793 1.00 1.00 O ATOM 319 CG2 THR A 22 -10.981 -10.151 -0.759 1.00 1.00 C ATOM 0 H THR A 22 -10.932 -8.479 2.868 1.00 1.00 H new ATOM 0 HA THR A 22 -10.962 -11.228 1.646 1.00 1.00 H new ATOM 0 HB THR A 22 -10.402 -8.471 0.454 1.00 1.00 H new ATOM 0 HG1 THR A 22 -12.694 -9.354 1.625 1.00 1.00 H new ATOM 0 HG21 THR A 22 -11.331 -9.530 -1.584 1.00 1.00 H new ATOM 0 HG22 THR A 22 -9.954 -10.462 -0.950 1.00 1.00 H new ATOM 0 HG23 THR A 22 -11.617 -11.032 -0.673 1.00 1.00 H new ATOM 327 N GLY A 23 -8.385 -10.037 2.766 1.00 1.00 N ATOM 328 CA GLY A 23 -6.901 -10.122 2.810 1.00 1.00 C ATOM 329 C GLY A 23 -6.309 -8.757 2.458 1.00 1.00 C ATOM 330 O GLY A 23 -6.537 -7.778 3.140 1.00 1.00 O ATOM 0 H GLY A 23 -8.827 -9.727 3.631 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -6.572 -10.430 3.802 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -6.547 -10.877 2.108 1.00 1.00 H new ATOM 334 N SER A 24 -5.557 -8.682 1.395 1.00 1.00 N ATOM 335 CA SER A 24 -4.950 -7.379 0.998 1.00 1.00 C ATOM 336 C SER A 24 -5.904 -6.600 0.090 1.00 1.00 C ATOM 337 O SER A 24 -6.609 -7.167 -0.721 1.00 1.00 O ATOM 338 CB SER A 24 -3.675 -7.750 0.243 1.00 1.00 C ATOM 339 OG SER A 24 -2.610 -6.918 0.684 1.00 1.00 O ATOM 0 H SER A 24 -5.336 -9.467 0.783 1.00 1.00 H new ATOM 0 HA SER A 24 -4.745 -6.742 1.859 1.00 1.00 H new ATOM 0 HB2 SER A 24 -3.429 -8.798 0.415 1.00 1.00 H new ATOM 0 HB3 SER A 24 -3.826 -7.630 -0.830 1.00 1.00 H new ATOM 0 HG SER A 24 -1.790 -7.154 0.203 1.00 1.00 H new ATOM 345 N ILE A 25 -5.926 -5.302 0.219 1.00 1.00 N ATOM 346 CA ILE A 25 -6.827 -4.479 -0.637 1.00 1.00 C ATOM 347 C ILE A 25 -5.994 -3.582 -1.556 1.00 1.00 C ATOM 348 O ILE A 25 -5.153 -2.828 -1.108 1.00 1.00 O ATOM 349 CB ILE A 25 -7.644 -3.636 0.343 1.00 1.00 C ATOM 350 CG1 ILE A 25 -8.811 -4.468 0.880 1.00 1.00 C ATOM 351 CG2 ILE A 25 -8.188 -2.401 -0.377 1.00 1.00 C ATOM 352 CD1 ILE A 25 -8.451 -5.022 2.259 1.00 1.00 C ATOM 0 H ILE A 25 -5.358 -4.775 0.882 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.466 -5.088 -1.277 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.008 -3.323 1.171 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.709 -3.854 0.946 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -9.034 -5.286 0.195 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -8.770 -1.800 0.321 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -7.358 -1.808 -0.761 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -8.824 -2.713 -1.205 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -9.282 -5.614 2.641 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -7.564 -5.651 2.178 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -8.250 -4.196 2.942 1.00 1.00 H new ATOM 364 N MET A 26 -6.217 -3.660 -2.839 1.00 1.00 N ATOM 365 CA MET A 26 -5.430 -2.813 -3.782 1.00 1.00 C ATOM 366 C MET A 26 -6.306 -1.700 -4.367 1.00 1.00 C ATOM 367 O MET A 26 -7.353 -1.949 -4.930 1.00 1.00 O ATOM 368 CB MET A 26 -4.975 -3.769 -4.885 1.00 1.00 C ATOM 369 CG MET A 26 -3.481 -4.060 -4.724 1.00 1.00 C ATOM 370 SD MET A 26 -2.983 -5.332 -5.911 1.00 1.00 S ATOM 371 CE MET A 26 -2.072 -4.247 -7.037 1.00 1.00 C ATOM 0 H MET A 26 -6.908 -4.271 -3.275 1.00 1.00 H new ATOM 0 HA MET A 26 -4.590 -2.324 -3.288 1.00 1.00 H new ATOM 0 HB2 MET A 26 -5.545 -4.697 -4.834 1.00 1.00 H new ATOM 0 HB3 MET A 26 -5.167 -3.330 -5.864 1.00 1.00 H new ATOM 0 HG2 MET A 26 -2.903 -3.150 -4.886 1.00 1.00 H new ATOM 0 HG3 MET A 26 -3.272 -4.394 -3.708 1.00 1.00 H new ATOM 0 HE1 MET A 26 -1.523 -4.851 -7.760 1.00 1.00 H new ATOM 0 HE2 MET A 26 -2.772 -3.599 -7.563 1.00 1.00 H new ATOM 0 HE3 MET A 26 -1.371 -3.637 -6.467 1.00 1.00 H new ATOM 381 N LYS A 27 -5.881 -0.472 -4.233 1.00 1.00 N ATOM 382 CA LYS A 27 -6.685 0.662 -4.775 1.00 1.00 C ATOM 383 C LYS A 27 -6.016 1.242 -6.025 1.00 1.00 C ATOM 384 O LYS A 27 -4.829 1.083 -6.237 1.00 1.00 O ATOM 385 CB LYS A 27 -6.708 1.701 -3.653 1.00 1.00 C ATOM 386 CG LYS A 27 -8.157 2.030 -3.290 1.00 1.00 C ATOM 387 CD LYS A 27 -8.193 2.771 -1.951 1.00 1.00 C ATOM 388 CE LYS A 27 -9.646 2.987 -1.525 1.00 1.00 C ATOM 389 NZ LYS A 27 -9.561 3.661 -0.200 1.00 1.00 N ATOM 0 H LYS A 27 -5.011 -0.205 -3.771 1.00 1.00 H new ATOM 0 HA LYS A 27 -7.688 0.351 -5.068 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -6.181 1.319 -2.779 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -6.187 2.605 -3.969 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -8.608 2.644 -4.070 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -8.744 1.114 -3.226 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -7.662 2.197 -1.192 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -7.683 3.730 -2.040 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -10.182 3.602 -2.248 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -10.181 2.040 -1.453 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -10.389 4.277 -0.070 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -9.541 2.944 0.553 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -8.694 4.233 -0.157 1.00 1.00 H new ATOM 402 N ARG A 28 -6.768 1.913 -6.856 1.00 1.00 N ATOM 403 CA ARG A 28 -6.176 2.503 -8.091 1.00 1.00 C ATOM 404 C ARG A 28 -5.726 3.944 -7.827 1.00 1.00 C ATOM 405 O ARG A 28 -6.389 4.695 -7.139 1.00 1.00 O ATOM 406 CB ARG A 28 -7.302 2.474 -9.125 1.00 1.00 C ATOM 407 CG ARG A 28 -6.747 2.860 -10.497 1.00 1.00 C ATOM 408 CD ARG A 28 -7.258 1.875 -11.552 1.00 1.00 C ATOM 409 NE ARG A 28 -7.378 2.678 -12.799 1.00 1.00 N ATOM 410 CZ ARG A 28 -8.483 2.643 -13.494 1.00 1.00 C ATOM 411 NH1 ARG A 28 -9.481 1.904 -13.097 1.00 1.00 N ATOM 412 NH2 ARG A 28 -8.588 3.348 -14.588 1.00 1.00 N ATOM 0 H ARG A 28 -7.767 2.078 -6.733 1.00 1.00 H new ATOM 0 HA ARG A 28 -5.298 1.953 -8.430 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -7.745 1.479 -9.167 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.094 3.164 -8.835 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -7.054 3.874 -10.753 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -5.657 2.853 -10.475 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -6.567 1.043 -11.683 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -8.219 1.449 -11.262 1.00 1.00 H new ATOM 0 HE ARG A 28 -6.597 3.256 -13.111 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -9.399 1.353 -12.243 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -10.344 1.877 -13.641 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -7.807 3.926 -14.899 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -9.451 3.321 -15.131 1.00 1.00 H new ATOM 425 N LYS A 29 -4.605 4.334 -8.369 1.00 1.00 N ATOM 426 CA LYS A 29 -4.114 5.724 -8.149 1.00 1.00 C ATOM 427 C LYS A 29 -5.022 6.737 -8.852 1.00 1.00 C ATOM 428 O LYS A 29 -5.267 7.817 -8.352 1.00 1.00 O ATOM 429 CB LYS A 29 -2.712 5.750 -8.755 1.00 1.00 C ATOM 430 CG LYS A 29 -1.871 4.627 -8.145 1.00 1.00 C ATOM 431 CD LYS A 29 -0.826 5.225 -7.201 1.00 1.00 C ATOM 432 CE LYS A 29 0.390 5.685 -8.009 1.00 1.00 C ATOM 433 NZ LYS A 29 0.185 7.145 -8.214 1.00 1.00 N ATOM 0 H LYS A 29 -4.008 3.750 -8.955 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.109 5.992 -7.092 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.770 5.629 -9.837 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.241 6.715 -8.567 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.512 3.933 -7.602 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -1.380 4.057 -8.934 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -1.253 6.067 -6.656 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -0.524 4.485 -6.460 1.00 1.00 H new ATOM 0 HE2 LYS A 29 1.318 5.488 -7.472 1.00 1.00 H new ATOM 0 HE3 LYS A 29 0.454 5.158 -8.961 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 1.070 7.652 -8.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -0.095 7.321 -9.200 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -0.563 7.484 -7.576 1.00 1.00 H new ATOM 446 N LYS A 30 -5.520 6.400 -10.009 1.00 1.00 N ATOM 447 CA LYS A 30 -6.408 7.348 -10.742 1.00 1.00 C ATOM 448 C LYS A 30 -7.677 7.624 -9.931 1.00 1.00 C ATOM 449 O LYS A 30 -7.993 8.755 -9.619 1.00 1.00 O ATOM 450 CB LYS A 30 -6.752 6.638 -12.051 1.00 1.00 C ATOM 451 CG LYS A 30 -5.681 6.949 -13.097 1.00 1.00 C ATOM 452 CD LYS A 30 -4.326 6.428 -12.613 1.00 1.00 C ATOM 453 CE LYS A 30 -3.507 7.587 -12.041 1.00 1.00 C ATOM 454 NZ LYS A 30 -2.087 7.191 -12.246 1.00 1.00 N ATOM 0 H LYS A 30 -5.351 5.511 -10.479 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.928 8.311 -10.914 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -6.814 5.562 -11.888 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.729 6.964 -12.408 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.942 6.485 -14.048 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.628 8.024 -13.270 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -4.470 5.661 -11.852 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -3.788 5.961 -13.438 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -3.734 8.522 -12.553 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -3.725 7.741 -10.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -1.462 7.937 -11.879 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -1.898 6.301 -11.741 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -1.907 7.058 -13.262 1.00 1.00 H new ATOM 467 N ASP A 31 -8.407 6.599 -9.589 1.00 1.00 N ATOM 468 CA ASP A 31 -9.657 6.803 -8.800 1.00 1.00 C ATOM 469 C ASP A 31 -9.536 6.132 -7.430 1.00 1.00 C ATOM 470 O ASP A 31 -10.459 6.135 -6.642 1.00 1.00 O ATOM 471 CB ASP A 31 -10.761 6.142 -9.626 1.00 1.00 C ATOM 472 CG ASP A 31 -10.477 6.349 -11.115 1.00 1.00 C ATOM 473 OD1 ASP A 31 -9.351 6.111 -11.522 1.00 1.00 O ATOM 474 OD2 ASP A 31 -11.390 6.740 -11.824 1.00 1.00 O ATOM 0 H ASP A 31 -8.193 5.629 -9.821 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.861 7.858 -8.618 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.812 5.077 -9.399 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.730 6.570 -9.367 1.00 1.00 H new ATOM 479 N ASP A 32 -8.402 5.556 -7.141 1.00 1.00 N ATOM 480 CA ASP A 32 -8.221 4.885 -5.822 1.00 1.00 C ATOM 481 C ASP A 32 -9.495 4.130 -5.428 1.00 1.00 C ATOM 482 O ASP A 32 -10.152 4.466 -4.464 1.00 1.00 O ATOM 483 CB ASP A 32 -7.944 6.020 -4.836 1.00 1.00 C ATOM 484 CG ASP A 32 -6.928 6.989 -5.444 1.00 1.00 C ATOM 485 OD1 ASP A 32 -6.759 6.958 -6.651 1.00 1.00 O ATOM 486 OD2 ASP A 32 -6.338 7.746 -4.691 1.00 1.00 O ATOM 0 H ASP A 32 -7.593 5.521 -7.761 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.414 4.153 -5.840 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -8.869 6.546 -4.602 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -7.561 5.616 -3.899 1.00 1.00 H new ATOM 491 N TRP A 33 -9.844 3.109 -6.162 1.00 1.00 N ATOM 492 CA TRP A 33 -11.071 2.333 -5.819 1.00 1.00 C ATOM 493 C TRP A 33 -10.741 1.279 -4.760 1.00 1.00 C ATOM 494 O TRP A 33 -9.600 0.904 -4.580 1.00 1.00 O ATOM 495 CB TRP A 33 -11.508 1.658 -7.121 1.00 1.00 C ATOM 496 CG TRP A 33 -10.906 2.368 -8.291 1.00 1.00 C ATOM 497 CD1 TRP A 33 -9.583 2.428 -8.567 1.00 1.00 C ATOM 498 CD2 TRP A 33 -11.579 3.111 -9.347 1.00 1.00 C ATOM 499 NE1 TRP A 33 -9.402 3.163 -9.726 1.00 1.00 N ATOM 500 CE2 TRP A 33 -10.603 3.605 -10.243 1.00 1.00 C ATOM 501 CE3 TRP A 33 -12.929 3.402 -9.612 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -10.953 4.362 -11.363 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -13.286 4.163 -10.737 1.00 1.00 C ATOM 504 CH2 TRP A 33 -12.299 4.642 -11.611 1.00 1.00 C ATOM 0 H TRP A 33 -9.335 2.779 -6.982 1.00 1.00 H new ATOM 0 HA TRP A 33 -11.857 2.970 -5.413 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -11.198 0.613 -7.120 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.595 1.668 -7.199 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -8.797 1.977 -7.980 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -8.493 3.354 -10.146 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -13.697 3.038 -8.946 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -10.189 4.728 -12.033 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -14.326 4.381 -10.930 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -12.579 5.227 -12.475 1.00 1.00 H new ATOM 515 N VAL A 34 -11.729 0.793 -4.058 1.00 1.00 N ATOM 516 CA VAL A 34 -11.464 -0.239 -3.016 1.00 1.00 C ATOM 517 C VAL A 34 -12.190 -1.538 -3.373 1.00 1.00 C ATOM 518 O VAL A 34 -13.259 -1.524 -3.949 1.00 1.00 O ATOM 519 CB VAL A 34 -12.025 0.351 -1.722 1.00 1.00 C ATOM 520 CG1 VAL A 34 -13.553 0.283 -1.750 1.00 1.00 C ATOM 521 CG2 VAL A 34 -11.502 -0.452 -0.529 1.00 1.00 C ATOM 0 H VAL A 34 -12.706 1.066 -4.161 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.404 -0.478 -2.927 1.00 1.00 H new ATOM 0 HB VAL A 34 -11.709 1.390 -1.629 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -13.953 0.704 -0.827 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -13.927 0.853 -2.601 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -13.869 -0.756 -1.842 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -11.901 -0.033 0.395 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -11.819 -1.491 -0.623 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -10.413 -0.405 -0.508 1.00 1.00 H new ATOM 531 N ASN A 35 -11.619 -2.663 -3.038 1.00 1.00 N ATOM 532 CA ASN A 35 -12.283 -3.958 -3.362 1.00 1.00 C ATOM 533 C ASN A 35 -13.624 -4.062 -2.633 1.00 1.00 C ATOM 534 O ASN A 35 -13.684 -4.399 -1.467 1.00 1.00 O ATOM 535 CB ASN A 35 -11.318 -5.035 -2.866 1.00 1.00 C ATOM 536 CG ASN A 35 -12.084 -6.338 -2.631 1.00 1.00 C ATOM 537 OD1 ASN A 35 -12.286 -6.742 -1.503 1.00 1.00 O ATOM 538 ND2 ASN A 35 -12.522 -7.017 -3.655 1.00 1.00 N ATOM 0 H ASN A 35 -10.724 -2.742 -2.555 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.492 -4.059 -4.427 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -10.526 -5.193 -3.598 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -10.838 -4.711 -1.942 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -13.034 -7.887 -3.509 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -12.353 -6.678 -4.602 1.00 1.00 H new ATOM 545 N ALA A 36 -14.703 -3.773 -3.309 1.00 1.00 N ATOM 546 CA ALA A 36 -16.039 -3.854 -2.653 1.00 1.00 C ATOM 547 C ALA A 36 -16.117 -5.089 -1.750 1.00 1.00 C ATOM 548 O ALA A 36 -16.819 -5.097 -0.759 1.00 1.00 O ATOM 549 CB ALA A 36 -17.039 -3.966 -3.803 1.00 1.00 C ATOM 0 H ALA A 36 -14.717 -3.484 -4.287 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.239 -2.989 -2.021 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -18.050 -4.030 -3.401 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -16.958 -3.087 -4.443 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.823 -4.861 -4.387 1.00 1.00 H new ATOM 555 N THR A 37 -15.399 -6.130 -2.077 1.00 1.00 N ATOM 556 CA THR A 37 -15.440 -7.350 -1.221 1.00 1.00 C ATOM 557 C THR A 37 -14.925 -7.012 0.177 1.00 1.00 C ATOM 558 O THR A 37 -15.560 -7.301 1.171 1.00 1.00 O ATOM 559 CB THR A 37 -14.519 -8.362 -1.903 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.890 -8.493 -3.269 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.649 -9.715 -1.202 1.00 1.00 C ATOM 0 H THR A 37 -14.790 -6.188 -2.893 1.00 1.00 H new ATOM 0 HA THR A 37 -16.450 -7.744 -1.111 1.00 1.00 H new ATOM 0 HB THR A 37 -13.486 -8.019 -1.841 1.00 1.00 H new ATOM 0 HG1 THR A 37 -14.410 -9.249 -3.667 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.994 -10.440 -1.685 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.365 -9.611 -0.155 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.681 -10.060 -1.266 1.00 1.00 H new ATOM 569 N HIS A 38 -13.785 -6.382 0.259 1.00 1.00 N ATOM 570 CA HIS A 38 -13.241 -6.007 1.594 1.00 1.00 C ATOM 571 C HIS A 38 -14.239 -5.083 2.292 1.00 1.00 C ATOM 572 O HIS A 38 -14.336 -5.048 3.502 1.00 1.00 O ATOM 573 CB HIS A 38 -11.934 -5.270 1.301 1.00 1.00 C ATOM 574 CG HIS A 38 -11.909 -3.973 2.060 1.00 1.00 C ATOM 575 ND1 HIS A 38 -11.806 -2.745 1.425 1.00 1.00 N ATOM 576 CD2 HIS A 38 -11.973 -3.695 3.404 1.00 1.00 C ATOM 577 CE1 HIS A 38 -11.810 -1.794 2.376 1.00 1.00 C ATOM 578 NE2 HIS A 38 -11.910 -2.318 3.601 1.00 1.00 N ATOM 0 H HIS A 38 -13.209 -6.112 -0.538 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.073 -6.866 2.244 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -11.083 -5.888 1.588 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -11.843 -5.080 0.232 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -12.059 -4.432 4.188 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -11.741 -0.735 2.174 1.00 1.00 H new ATOM 0 HE2 HIS A 38 -11.935 -1.817 4.489 1.00 1.00 H new ATOM 586 N ILE A 39 -14.991 -4.344 1.523 1.00 1.00 N ATOM 587 CA ILE A 39 -16.002 -3.423 2.113 1.00 1.00 C ATOM 588 C ILE A 39 -17.336 -4.156 2.263 1.00 1.00 C ATOM 589 O ILE A 39 -17.957 -4.138 3.306 1.00 1.00 O ATOM 590 CB ILE A 39 -16.126 -2.284 1.101 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.091 -1.204 1.421 1.00 1.00 C ATOM 592 CG2 ILE A 39 -17.530 -1.685 1.171 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.004 -1.210 0.345 1.00 1.00 C ATOM 0 H ILE A 39 -14.948 -4.339 0.504 1.00 1.00 H new ATOM 0 HA ILE A 39 -15.719 -3.060 3.101 1.00 1.00 H new ATOM 0 HB ILE A 39 -15.950 -2.670 0.097 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -15.571 -0.226 1.464 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -14.650 -1.386 2.401 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -17.616 -0.873 0.449 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.266 -2.455 0.940 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -17.711 -1.299 2.174 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -13.265 -0.441 0.570 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -13.518 -2.186 0.324 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.453 -1.007 -0.627 1.00 1.00 H new ATOM 605 N LEU A 40 -17.775 -4.810 1.220 1.00 1.00 N ATOM 606 CA LEU A 40 -19.063 -5.557 1.290 1.00 1.00 C ATOM 607 C LEU A 40 -18.809 -6.998 1.740 1.00 1.00 C ATOM 608 O LEU A 40 -19.441 -7.497 2.651 1.00 1.00 O ATOM 609 CB LEU A 40 -19.615 -5.529 -0.135 1.00 1.00 C ATOM 610 CG LEU A 40 -20.736 -4.493 -0.230 1.00 1.00 C ATOM 611 CD1 LEU A 40 -20.659 -3.778 -1.579 1.00 1.00 C ATOM 612 CD2 LEU A 40 -22.090 -5.196 -0.104 1.00 1.00 C ATOM 0 H LEU A 40 -17.295 -4.858 0.321 1.00 1.00 H new ATOM 0 HA LEU A 40 -19.760 -5.118 2.004 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -18.820 -5.285 -0.839 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -19.992 -6.514 -0.409 1.00 1.00 H new ATOM 0 HG LEU A 40 -20.626 -3.765 0.573 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -21.458 -3.040 -1.646 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -19.695 -3.278 -1.671 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -20.769 -4.506 -2.383 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -22.890 -4.459 -0.171 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -22.198 -5.924 -0.908 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -22.147 -5.706 0.857 1.00 1.00 H new ATOM 624 N LYS A 41 -17.879 -7.668 1.112 1.00 1.00 N ATOM 625 CA LYS A 41 -17.577 -9.073 1.506 1.00 1.00 C ATOM 626 C LYS A 41 -16.980 -9.102 2.913 1.00 1.00 C ATOM 627 O LYS A 41 -17.102 -10.074 3.633 1.00 1.00 O ATOM 628 CB LYS A 41 -16.556 -9.563 0.479 1.00 1.00 C ATOM 629 CG LYS A 41 -16.571 -11.092 0.432 1.00 1.00 C ATOM 630 CD LYS A 41 -15.268 -11.634 1.023 1.00 1.00 C ATOM 631 CE LYS A 41 -14.366 -12.139 -0.106 1.00 1.00 C ATOM 632 NZ LYS A 41 -12.978 -11.890 0.372 1.00 1.00 N ATOM 0 H LYS A 41 -17.316 -7.302 0.344 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.468 -9.701 1.522 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -16.790 -9.156 -0.505 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -15.560 -9.207 0.742 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -17.424 -11.475 0.992 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -16.686 -11.434 -0.597 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -14.759 -10.852 1.587 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -15.482 -12.443 1.721 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -14.533 -13.198 -0.301 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -14.564 -11.609 -1.037 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -12.300 -12.271 -0.318 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -12.826 -10.867 0.478 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -12.838 -12.358 1.290 1.00 1.00 H new ATOM 645 N ALA A 42 -16.343 -8.036 3.313 1.00 1.00 N ATOM 646 CA ALA A 42 -15.746 -7.994 4.677 1.00 1.00 C ATOM 647 C ALA A 42 -16.859 -7.979 5.724 1.00 1.00 C ATOM 648 O ALA A 42 -16.665 -8.363 6.860 1.00 1.00 O ATOM 649 CB ALA A 42 -14.947 -6.692 4.721 1.00 1.00 C ATOM 0 H ALA A 42 -16.210 -7.193 2.754 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.117 -8.859 4.886 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -14.475 -6.588 5.698 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.180 -6.710 3.947 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -15.616 -5.849 4.549 1.00 1.00 H new ATOM 655 N ALA A 43 -18.028 -7.535 5.349 1.00 1.00 N ATOM 656 CA ALA A 43 -19.157 -7.491 6.320 1.00 1.00 C ATOM 657 C ALA A 43 -20.331 -8.332 5.813 1.00 1.00 C ATOM 658 O ALA A 43 -21.384 -8.367 6.419 1.00 1.00 O ATOM 659 CB ALA A 43 -19.550 -6.016 6.402 1.00 1.00 C ATOM 0 H ALA A 43 -18.250 -7.201 4.411 1.00 1.00 H new ATOM 0 HA ALA A 43 -18.878 -7.895 7.293 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -20.379 -5.899 7.100 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -18.698 -5.431 6.749 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -19.854 -5.665 5.416 1.00 1.00 H new ATOM 665 N ASN A 44 -20.166 -9.009 4.708 1.00 1.00 N ATOM 666 CA ASN A 44 -21.284 -9.840 4.176 1.00 1.00 C ATOM 667 C ASN A 44 -20.738 -11.032 3.386 1.00 1.00 C ATOM 668 O ASN A 44 -21.445 -11.651 2.616 1.00 1.00 O ATOM 669 CB ASN A 44 -22.070 -8.903 3.258 1.00 1.00 C ATOM 670 CG ASN A 44 -21.179 -8.460 2.095 1.00 1.00 C ATOM 671 OD1 ASN A 44 -21.546 -7.592 1.330 1.00 1.00 O ATOM 672 ND2 ASN A 44 -20.015 -9.026 1.930 1.00 1.00 N ATOM 0 H ASN A 44 -19.310 -9.023 4.153 1.00 1.00 H new ATOM 0 HA ASN A 44 -21.905 -10.250 4.972 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -22.957 -9.409 2.878 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -22.415 -8.033 3.818 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -19.413 -8.739 1.158 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -19.707 -9.755 2.573 1.00 1.00 H new ATOM 679 N PHE A 45 -19.488 -11.359 3.568 1.00 1.00 N ATOM 680 CA PHE A 45 -18.908 -12.511 2.820 1.00 1.00 C ATOM 681 C PHE A 45 -19.382 -12.481 1.364 1.00 1.00 C ATOM 682 O PHE A 45 -20.365 -11.847 1.036 1.00 1.00 O ATOM 683 CB PHE A 45 -19.437 -13.755 3.533 1.00 1.00 C ATOM 684 CG PHE A 45 -18.277 -14.573 4.047 1.00 1.00 C ATOM 685 CD1 PHE A 45 -17.226 -14.916 3.186 1.00 1.00 C ATOM 686 CD2 PHE A 45 -18.251 -14.990 5.383 1.00 1.00 C ATOM 687 CE1 PHE A 45 -16.151 -15.675 3.662 1.00 1.00 C ATOM 688 CE2 PHE A 45 -17.175 -15.749 5.859 1.00 1.00 C ATOM 689 CZ PHE A 45 -16.125 -16.091 4.998 1.00 1.00 C ATOM 0 H PHE A 45 -18.845 -10.881 4.199 1.00 1.00 H new ATOM 0 HA PHE A 45 -17.818 -12.488 2.802 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -20.086 -13.465 4.360 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -20.040 -14.351 2.848 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -17.246 -14.595 2.155 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -19.061 -14.726 6.047 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -15.341 -15.940 2.998 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -17.155 -16.071 6.890 1.00 1.00 H new ATOM 0 HZ PHE A 45 -15.295 -16.676 5.365 1.00 1.00 H new ATOM 699 N ALA A 46 -18.689 -13.155 0.487 1.00 1.00 N ATOM 700 CA ALA A 46 -19.104 -13.152 -0.945 1.00 1.00 C ATOM 701 C ALA A 46 -20.018 -14.341 -1.245 1.00 1.00 C ATOM 702 O ALA A 46 -19.570 -15.421 -1.579 1.00 1.00 O ATOM 703 CB ALA A 46 -17.801 -13.261 -1.737 1.00 1.00 C ATOM 0 H ALA A 46 -17.857 -13.705 0.699 1.00 1.00 H new ATOM 0 HA ALA A 46 -19.666 -12.255 -1.205 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -18.023 -13.265 -2.804 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -17.161 -12.411 -1.503 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -17.289 -14.185 -1.469 1.00 1.00 H new ATOM 709 N LYS A 47 -21.299 -14.138 -1.138 1.00 1.00 N ATOM 710 CA LYS A 47 -22.268 -15.230 -1.426 1.00 1.00 C ATOM 711 C LYS A 47 -23.364 -14.686 -2.339 1.00 1.00 C ATOM 712 O LYS A 47 -23.238 -13.607 -2.885 1.00 1.00 O ATOM 713 CB LYS A 47 -22.841 -15.628 -0.065 1.00 1.00 C ATOM 714 CG LYS A 47 -22.327 -17.017 0.318 1.00 1.00 C ATOM 715 CD LYS A 47 -23.049 -17.500 1.577 1.00 1.00 C ATOM 716 CE LYS A 47 -23.561 -18.925 1.358 1.00 1.00 C ATOM 717 NZ LYS A 47 -22.340 -19.777 1.356 1.00 1.00 N ATOM 0 H LYS A 47 -21.721 -13.252 -0.860 1.00 1.00 H new ATOM 0 HA LYS A 47 -21.813 -16.085 -1.926 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -22.550 -14.899 0.691 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -23.930 -15.629 -0.103 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -22.494 -17.717 -0.501 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -21.252 -16.983 0.493 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -22.371 -17.473 2.430 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -23.881 -16.835 1.809 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -24.249 -19.223 2.149 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -24.103 -19.009 0.416 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -22.614 -20.776 1.449 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -21.824 -19.642 0.463 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -21.729 -19.509 2.154 1.00 1.00 H new ATOM 730 N ALA A 48 -24.443 -15.397 -2.507 1.00 1.00 N ATOM 731 CA ALA A 48 -25.519 -14.866 -3.386 1.00 1.00 C ATOM 732 C ALA A 48 -25.849 -13.449 -2.928 1.00 1.00 C ATOM 733 O ALA A 48 -26.278 -12.614 -3.700 1.00 1.00 O ATOM 734 CB ALA A 48 -26.712 -15.800 -3.179 1.00 1.00 C ATOM 0 H ALA A 48 -24.625 -16.306 -2.082 1.00 1.00 H new ATOM 0 HA ALA A 48 -25.239 -14.826 -4.439 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -27.546 -15.468 -3.798 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -26.432 -16.815 -3.461 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -27.010 -15.783 -2.131 1.00 1.00 H new ATOM 740 N LYS A 49 -25.613 -13.166 -1.677 1.00 1.00 N ATOM 741 CA LYS A 49 -25.868 -11.796 -1.164 1.00 1.00 C ATOM 742 C LYS A 49 -24.865 -10.830 -1.799 1.00 1.00 C ATOM 743 O LYS A 49 -25.231 -9.806 -2.343 1.00 1.00 O ATOM 744 CB LYS A 49 -25.649 -11.888 0.346 1.00 1.00 C ATOM 745 CG LYS A 49 -27.001 -12.024 1.050 1.00 1.00 C ATOM 746 CD LYS A 49 -27.054 -11.070 2.245 1.00 1.00 C ATOM 747 CE LYS A 49 -28.496 -10.612 2.469 1.00 1.00 C ATOM 748 NZ LYS A 49 -29.299 -11.368 1.469 1.00 1.00 N ATOM 0 H LYS A 49 -25.254 -13.827 -0.989 1.00 1.00 H new ATOM 0 HA LYS A 49 -26.869 -11.433 -1.399 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -25.017 -12.744 0.581 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -25.128 -11.000 0.704 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -27.809 -11.798 0.355 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -27.147 -13.051 1.385 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -26.676 -11.568 3.138 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -26.411 -10.208 2.065 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -28.826 -10.828 3.485 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -28.596 -9.536 2.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -30.302 -11.352 1.745 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -29.191 -10.928 0.533 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -28.966 -12.353 1.429 1.00 1.00 H new ATOM 761 N ARG A 50 -23.596 -11.154 -1.741 1.00 1.00 N ATOM 762 CA ARG A 50 -22.572 -10.258 -2.346 1.00 1.00 C ATOM 763 C ARG A 50 -22.822 -10.127 -3.849 1.00 1.00 C ATOM 764 O ARG A 50 -22.462 -9.141 -4.463 1.00 1.00 O ATOM 765 CB ARG A 50 -21.234 -10.946 -2.080 1.00 1.00 C ATOM 766 CG ARG A 50 -20.682 -10.486 -0.728 1.00 1.00 C ATOM 767 CD ARG A 50 -21.729 -10.731 0.361 1.00 1.00 C ATOM 768 NE ARG A 50 -22.745 -9.662 0.165 1.00 1.00 N ATOM 769 CZ ARG A 50 -23.807 -9.624 0.924 1.00 1.00 C ATOM 770 NH1 ARG A 50 -23.975 -10.521 1.857 1.00 1.00 N ATOM 771 NH2 ARG A 50 -24.700 -8.688 0.750 1.00 1.00 N ATOM 0 H ARG A 50 -23.230 -11.998 -1.301 1.00 1.00 H new ATOM 0 HA ARG A 50 -22.598 -9.252 -1.927 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -21.363 -12.028 -2.083 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -20.526 -10.707 -2.874 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -19.765 -11.027 -0.494 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -20.425 -9.427 -0.769 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -22.174 -11.721 0.265 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -21.285 -10.676 1.355 1.00 1.00 H new ATOM 0 HE ARG A 50 -22.612 -8.959 -0.562 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -23.277 -11.252 1.993 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -24.805 -10.491 2.450 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -24.568 -7.987 0.021 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -25.530 -8.658 1.343 1.00 1.00 H new ATOM 784 N THR A 51 -23.451 -11.105 -4.442 1.00 1.00 N ATOM 785 CA THR A 51 -23.735 -11.026 -5.901 1.00 1.00 C ATOM 786 C THR A 51 -24.760 -9.922 -6.158 1.00 1.00 C ATOM 787 O THR A 51 -24.694 -9.213 -7.141 1.00 1.00 O ATOM 788 CB THR A 51 -24.311 -12.394 -6.271 1.00 1.00 C ATOM 789 OG1 THR A 51 -23.288 -13.195 -6.847 1.00 1.00 O ATOM 790 CG2 THR A 51 -25.450 -12.217 -7.276 1.00 1.00 C ATOM 0 H THR A 51 -23.779 -11.953 -3.980 1.00 1.00 H new ATOM 0 HA THR A 51 -22.849 -10.793 -6.491 1.00 1.00 H new ATOM 0 HB THR A 51 -24.695 -12.882 -5.375 1.00 1.00 H new ATOM 0 HG1 THR A 51 -23.654 -14.073 -7.083 1.00 1.00 H new ATOM 0 HG21 THR A 51 -25.859 -13.193 -7.538 1.00 1.00 H new ATOM 0 HG22 THR A 51 -26.234 -11.602 -6.833 1.00 1.00 H new ATOM 0 HG23 THR A 51 -25.070 -11.730 -8.174 1.00 1.00 H new ATOM 798 N ARG A 52 -25.701 -9.764 -5.268 1.00 1.00 N ATOM 799 CA ARG A 52 -26.723 -8.695 -5.447 1.00 1.00 C ATOM 800 C ARG A 52 -26.232 -7.408 -4.780 1.00 1.00 C ATOM 801 O ARG A 52 -25.936 -6.429 -5.434 1.00 1.00 O ATOM 802 CB ARG A 52 -27.978 -9.221 -4.749 1.00 1.00 C ATOM 803 CG ARG A 52 -28.696 -10.210 -5.671 1.00 1.00 C ATOM 804 CD ARG A 52 -28.180 -11.626 -5.402 1.00 1.00 C ATOM 805 NE ARG A 52 -29.374 -12.390 -4.946 1.00 1.00 N ATOM 806 CZ ARG A 52 -29.690 -12.412 -3.680 1.00 1.00 C ATOM 807 NH1 ARG A 52 -28.960 -11.763 -2.814 1.00 1.00 N ATOM 808 NH2 ARG A 52 -30.736 -13.082 -3.280 1.00 1.00 N ATOM 0 H ARG A 52 -25.806 -10.329 -4.425 1.00 1.00 H new ATOM 0 HA ARG A 52 -26.916 -8.467 -6.495 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -27.709 -9.710 -3.813 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -28.642 -8.394 -4.498 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -29.772 -10.165 -5.502 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -28.525 -9.941 -6.713 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -27.749 -12.067 -6.301 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -27.399 -11.624 -4.642 1.00 1.00 H new ATOM 0 HE ARG A 52 -29.945 -12.896 -5.623 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -28.143 -11.239 -3.127 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -29.207 -11.780 -1.824 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -31.307 -13.589 -3.957 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -30.983 -13.099 -2.290 1.00 1.00 H new ATOM 821 N ILE A 53 -26.142 -7.407 -3.478 1.00 1.00 N ATOM 822 CA ILE A 53 -25.666 -6.187 -2.767 1.00 1.00 C ATOM 823 C ILE A 53 -24.419 -5.635 -3.464 1.00 1.00 C ATOM 824 O ILE A 53 -24.327 -4.457 -3.748 1.00 1.00 O ATOM 825 CB ILE A 53 -25.329 -6.656 -1.353 1.00 1.00 C ATOM 826 CG1 ILE A 53 -26.481 -6.301 -0.409 1.00 1.00 C ATOM 827 CG2 ILE A 53 -24.051 -5.965 -0.876 1.00 1.00 C ATOM 828 CD1 ILE A 53 -27.721 -5.940 -1.229 1.00 1.00 C ATOM 0 H ILE A 53 -26.377 -8.197 -2.877 1.00 1.00 H new ATOM 0 HA ILE A 53 -26.410 -5.391 -2.760 1.00 1.00 H new ATOM 0 HB ILE A 53 -25.179 -7.736 -1.356 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -26.699 -7.143 0.248 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -26.198 -5.464 0.229 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -23.811 -6.300 0.133 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -23.229 -6.216 -1.547 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -24.200 -4.885 -0.874 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -28.541 -5.687 -0.557 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -27.499 -5.085 -1.868 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -28.008 -6.790 -1.848 1.00 1.00 H new ATOM 840 N LEU A 54 -23.469 -6.479 -3.763 1.00 1.00 N ATOM 841 CA LEU A 54 -22.243 -5.999 -4.464 1.00 1.00 C ATOM 842 C LEU A 54 -22.611 -5.560 -5.884 1.00 1.00 C ATOM 843 O LEU A 54 -22.374 -4.437 -6.284 1.00 1.00 O ATOM 844 CB LEU A 54 -21.304 -7.205 -4.499 1.00 1.00 C ATOM 845 CG LEU A 54 -21.138 -7.765 -3.085 1.00 1.00 C ATOM 846 CD1 LEU A 54 -19.654 -7.996 -2.797 1.00 1.00 C ATOM 847 CD2 LEU A 54 -21.703 -6.765 -2.074 1.00 1.00 C ATOM 0 H LEU A 54 -23.488 -7.477 -3.553 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.779 -5.147 -3.967 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -21.706 -7.973 -5.161 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -20.334 -6.912 -4.902 1.00 1.00 H new ATOM 0 HG LEU A 54 -21.674 -8.710 -3.003 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -19.537 -8.395 -1.789 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -19.250 -8.707 -3.518 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -19.116 -7.051 -2.878 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -21.586 -7.162 -1.066 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -21.165 -5.820 -2.157 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -22.761 -6.599 -2.278 1.00 1.00 H new ATOM 859 N GLU A 55 -23.190 -6.449 -6.643 1.00 1.00 N ATOM 860 CA GLU A 55 -23.577 -6.103 -8.040 1.00 1.00 C ATOM 861 C GLU A 55 -24.401 -4.813 -8.048 1.00 1.00 C ATOM 862 O GLU A 55 -24.148 -3.911 -8.818 1.00 1.00 O ATOM 863 CB GLU A 55 -24.418 -7.279 -8.526 1.00 1.00 C ATOM 864 CG GLU A 55 -24.313 -7.390 -10.049 1.00 1.00 C ATOM 865 CD GLU A 55 -23.699 -8.741 -10.421 1.00 1.00 C ATOM 866 OE1 GLU A 55 -23.167 -9.392 -9.536 1.00 1.00 O ATOM 867 OE2 GLU A 55 -23.771 -9.102 -11.583 1.00 1.00 O ATOM 0 H GLU A 55 -23.412 -7.402 -6.356 1.00 1.00 H new ATOM 0 HA GLU A 55 -22.711 -5.936 -8.680 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -24.075 -8.202 -8.059 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -25.459 -7.141 -8.232 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -25.300 -7.291 -10.500 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -23.700 -6.579 -10.442 1.00 1.00 H new ATOM 874 N LYS A 56 -25.373 -4.708 -7.184 1.00 1.00 N ATOM 875 CA LYS A 56 -26.190 -3.462 -7.143 1.00 1.00 C ATOM 876 C LYS A 56 -25.353 -2.329 -6.547 1.00 1.00 C ATOM 877 O LYS A 56 -25.403 -1.201 -6.996 1.00 1.00 O ATOM 878 CB LYS A 56 -27.379 -3.789 -6.239 1.00 1.00 C ATOM 879 CG LYS A 56 -28.246 -2.541 -6.065 1.00 1.00 C ATOM 880 CD LYS A 56 -27.981 -1.924 -4.690 1.00 1.00 C ATOM 881 CE LYS A 56 -28.829 -0.660 -4.526 1.00 1.00 C ATOM 882 NZ LYS A 56 -30.205 -1.152 -4.246 1.00 1.00 N ATOM 0 H LYS A 56 -25.636 -5.426 -6.509 1.00 1.00 H new ATOM 0 HA LYS A 56 -26.519 -3.142 -8.131 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -27.968 -4.597 -6.673 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -27.026 -4.138 -5.268 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -28.023 -1.818 -6.849 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -29.300 -2.801 -6.162 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -28.222 -2.641 -3.905 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -26.923 -1.681 -4.586 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -28.458 -0.039 -3.710 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -28.805 -0.049 -5.428 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -30.862 -0.767 -4.954 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -30.218 -2.191 -4.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -30.498 -0.842 -3.298 1.00 1.00 H new ATOM 895 N GLU A 57 -24.573 -2.630 -5.548 1.00 1.00 N ATOM 896 CA GLU A 57 -23.716 -1.582 -4.930 1.00 1.00 C ATOM 897 C GLU A 57 -22.578 -1.228 -5.889 1.00 1.00 C ATOM 898 O GLU A 57 -22.346 -0.075 -6.196 1.00 1.00 O ATOM 899 CB GLU A 57 -23.167 -2.217 -3.651 1.00 1.00 C ATOM 900 CG GLU A 57 -23.882 -1.620 -2.437 1.00 1.00 C ATOM 901 CD GLU A 57 -22.910 -1.547 -1.258 1.00 1.00 C ATOM 902 OE1 GLU A 57 -22.535 -2.597 -0.760 1.00 1.00 O ATOM 903 OE2 GLU A 57 -22.558 -0.446 -0.872 1.00 1.00 O ATOM 0 H GLU A 57 -24.492 -3.558 -5.132 1.00 1.00 H new ATOM 0 HA GLU A 57 -24.262 -0.663 -4.717 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -23.312 -3.297 -3.677 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -22.094 -2.042 -3.577 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -24.257 -0.625 -2.675 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -24.745 -2.231 -2.173 1.00 1.00 H new ATOM 910 N VAL A 58 -21.870 -2.214 -6.367 1.00 1.00 N ATOM 911 CA VAL A 58 -20.750 -1.944 -7.310 1.00 1.00 C ATOM 912 C VAL A 58 -21.285 -1.773 -8.735 1.00 1.00 C ATOM 913 O VAL A 58 -20.943 -0.833 -9.426 1.00 1.00 O ATOM 914 CB VAL A 58 -19.858 -3.180 -7.216 1.00 1.00 C ATOM 915 CG1 VAL A 58 -20.344 -4.079 -6.078 1.00 1.00 C ATOM 916 CG2 VAL A 58 -19.920 -3.953 -8.536 1.00 1.00 C ATOM 0 H VAL A 58 -22.020 -3.198 -6.144 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.211 -1.029 -7.065 1.00 1.00 H new ATOM 0 HB VAL A 58 -18.831 -2.871 -7.020 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -19.706 -4.960 -6.013 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -20.302 -3.530 -5.137 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -21.371 -4.388 -6.272 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -19.284 -4.836 -8.471 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -20.948 -4.260 -8.730 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -19.573 -3.314 -9.348 1.00 1.00 H new ATOM 926 N LEU A 59 -22.121 -2.673 -9.185 1.00 1.00 N ATOM 927 CA LEU A 59 -22.667 -2.547 -10.568 1.00 1.00 C ATOM 928 C LEU A 59 -23.002 -1.084 -10.857 1.00 1.00 C ATOM 929 O LEU A 59 -22.657 -0.550 -11.893 1.00 1.00 O ATOM 930 CB LEU A 59 -23.935 -3.400 -10.586 1.00 1.00 C ATOM 931 CG LEU A 59 -24.500 -3.438 -12.006 1.00 1.00 C ATOM 932 CD1 LEU A 59 -25.070 -2.065 -12.364 1.00 1.00 C ATOM 933 CD2 LEU A 59 -23.382 -3.795 -12.988 1.00 1.00 C ATOM 0 H LEU A 59 -22.447 -3.484 -8.659 1.00 1.00 H new ATOM 0 HA LEU A 59 -21.955 -2.875 -11.325 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -23.712 -4.411 -10.244 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -24.674 -2.987 -9.899 1.00 1.00 H new ATOM 0 HG LEU A 59 -25.290 -4.187 -12.064 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -25.473 -2.091 -13.376 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -25.864 -1.807 -11.664 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.279 -1.317 -12.307 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -23.783 -3.823 -14.001 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -22.593 -3.045 -12.930 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -22.972 -4.772 -12.733 1.00 1.00 H new ATOM 945 N LYS A 60 -23.656 -0.425 -9.941 1.00 1.00 N ATOM 946 CA LYS A 60 -23.992 1.009 -10.158 1.00 1.00 C ATOM 947 C LYS A 60 -22.713 1.840 -10.051 1.00 1.00 C ATOM 948 O LYS A 60 -22.683 3.009 -10.378 1.00 1.00 O ATOM 949 CB LYS A 60 -24.966 1.369 -9.034 1.00 1.00 C ATOM 950 CG LYS A 60 -26.338 1.684 -9.632 1.00 1.00 C ATOM 951 CD LYS A 60 -26.575 0.807 -10.862 1.00 1.00 C ATOM 952 CE LYS A 60 -26.151 1.567 -12.122 1.00 1.00 C ATOM 953 NZ LYS A 60 -25.237 2.638 -11.634 1.00 1.00 N ATOM 0 H LYS A 60 -23.971 -0.817 -9.054 1.00 1.00 H new ATOM 0 HA LYS A 60 -24.431 1.199 -11.137 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -25.046 0.542 -8.328 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -24.594 2.229 -8.477 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -27.118 1.508 -8.891 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -26.393 2.737 -9.908 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -26.008 -0.120 -10.776 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -27.628 0.531 -10.928 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -25.646 0.909 -12.829 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -27.014 1.988 -12.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -25.658 3.569 -11.827 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -25.091 2.530 -10.610 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -24.322 2.564 -12.124 1.00 1.00 H new ATOM 966 N GLU A 61 -21.654 1.226 -9.600 1.00 1.00 N ATOM 967 CA GLU A 61 -20.360 1.952 -9.470 1.00 1.00 C ATOM 968 C GLU A 61 -19.354 1.407 -10.490 1.00 1.00 C ATOM 969 O GLU A 61 -19.724 0.933 -11.545 1.00 1.00 O ATOM 970 CB GLU A 61 -19.886 1.668 -8.044 1.00 1.00 C ATOM 971 CG GLU A 61 -20.876 2.272 -7.047 1.00 1.00 C ATOM 972 CD GLU A 61 -22.037 2.919 -7.806 1.00 1.00 C ATOM 973 OE1 GLU A 61 -21.780 3.536 -8.827 1.00 1.00 O ATOM 974 OE2 GLU A 61 -23.162 2.785 -7.355 1.00 1.00 O ATOM 0 H GLU A 61 -21.630 0.247 -9.314 1.00 1.00 H new ATOM 0 HA GLU A 61 -20.461 3.021 -9.657 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -19.803 0.593 -7.884 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -18.893 2.091 -7.888 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -21.252 1.498 -6.378 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -20.375 3.015 -6.426 1.00 1.00 H new ATOM 981 N THR A 62 -18.088 1.472 -10.185 1.00 1.00 N ATOM 982 CA THR A 62 -17.065 0.957 -11.142 1.00 1.00 C ATOM 983 C THR A 62 -16.490 -0.373 -10.643 1.00 1.00 C ATOM 984 O THR A 62 -15.291 -0.568 -10.614 1.00 1.00 O ATOM 985 CB THR A 62 -15.977 2.031 -11.176 1.00 1.00 C ATOM 986 OG1 THR A 62 -16.346 3.048 -12.099 1.00 1.00 O ATOM 987 CG2 THR A 62 -14.651 1.404 -11.609 1.00 1.00 C ATOM 0 H THR A 62 -17.716 1.858 -9.317 1.00 1.00 H new ATOM 0 HA THR A 62 -17.485 0.769 -12.130 1.00 1.00 H new ATOM 0 HB THR A 62 -15.864 2.465 -10.182 1.00 1.00 H new ATOM 0 HG1 THR A 62 -15.550 3.554 -12.364 1.00 1.00 H new ATOM 0 HG21 THR A 62 -13.877 2.171 -11.633 1.00 1.00 H new ATOM 0 HG22 THR A 62 -14.369 0.625 -10.901 1.00 1.00 H new ATOM 0 HG23 THR A 62 -14.761 0.969 -12.602 1.00 1.00 H new ATOM 995 N HIS A 63 -17.333 -1.289 -10.254 1.00 1.00 N ATOM 996 CA HIS A 63 -16.830 -2.605 -9.762 1.00 1.00 C ATOM 997 C HIS A 63 -16.181 -3.382 -10.911 1.00 1.00 C ATOM 998 O HIS A 63 -16.691 -3.418 -12.013 1.00 1.00 O ATOM 999 CB HIS A 63 -18.070 -3.338 -9.251 1.00 1.00 C ATOM 1000 CG HIS A 63 -18.787 -3.979 -10.407 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -18.346 -5.157 -10.991 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -19.916 -3.618 -11.099 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -19.198 -5.460 -11.987 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -20.175 -4.554 -12.097 1.00 1.00 N ATOM 0 H HIS A 63 -18.348 -1.185 -10.255 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.074 -2.495 -8.984 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -17.783 -4.096 -8.522 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -18.733 -2.640 -8.740 1.00 1.00 H new ATOM 0 HD1 HIS A 63 -17.525 -5.696 -10.715 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -20.513 -2.741 -10.900 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -19.104 -6.329 -12.621 1.00 1.00 H new ATOM 1012 N GLU A 64 -15.056 -3.998 -10.666 1.00 1.00 N ATOM 1013 CA GLU A 64 -14.377 -4.764 -11.750 1.00 1.00 C ATOM 1014 C GLU A 64 -13.628 -5.966 -11.172 1.00 1.00 C ATOM 1015 O GLU A 64 -13.292 -5.997 -10.007 1.00 1.00 O ATOM 1016 CB GLU A 64 -13.385 -3.777 -12.363 1.00 1.00 C ATOM 1017 CG GLU A 64 -14.050 -3.037 -13.526 1.00 1.00 C ATOM 1018 CD GLU A 64 -14.436 -4.039 -14.616 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -14.727 -5.173 -14.274 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -14.435 -3.654 -15.774 1.00 1.00 O ATOM 0 H GLU A 64 -14.579 -4.004 -9.764 1.00 1.00 H new ATOM 0 HA GLU A 64 -15.087 -5.152 -12.481 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -13.052 -3.065 -11.608 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -12.499 -4.307 -12.714 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -14.935 -2.507 -13.175 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -13.370 -2.288 -13.931 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.355 -6.951 -11.983 1.00 1.00 N ATOM 1028 CA LYS A 65 -12.616 -8.146 -11.485 1.00 1.00 C ATOM 1029 C LYS A 65 -11.143 -8.044 -11.893 1.00 1.00 C ATOM 1030 O LYS A 65 -10.815 -8.033 -13.062 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.282 -9.340 -12.168 1.00 1.00 C ATOM 1032 CG LYS A 65 -13.519 -9.019 -13.645 1.00 1.00 C ATOM 1033 CD LYS A 65 -14.997 -9.222 -13.982 1.00 1.00 C ATOM 1034 CE LYS A 65 -15.571 -7.931 -14.568 1.00 1.00 C ATOM 1035 NZ LYS A 65 -15.933 -8.273 -15.971 1.00 1.00 N ATOM 0 H LYS A 65 -13.612 -6.980 -12.970 1.00 1.00 H new ATOM 0 HA LYS A 65 -12.647 -8.236 -10.399 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -12.651 -10.224 -12.074 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -14.228 -9.570 -11.679 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -13.225 -7.991 -13.856 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -12.901 -9.662 -14.271 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -15.109 -10.039 -14.695 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -15.550 -9.504 -13.086 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -16.443 -7.596 -14.006 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -14.840 -7.123 -14.535 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -16.334 -7.436 -16.440 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -15.082 -8.582 -16.483 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -16.635 -9.040 -15.971 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.254 -7.960 -10.941 1.00 1.00 N ATOM 1049 CA VAL A 66 -8.807 -7.851 -11.285 1.00 1.00 C ATOM 1050 C VAL A 66 -8.156 -9.235 -11.322 1.00 1.00 C ATOM 1051 O VAL A 66 -8.287 -10.020 -10.403 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.200 -7.003 -10.167 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -6.860 -6.428 -10.632 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -9.153 -5.856 -9.825 1.00 1.00 C ATOM 0 H VAL A 66 -10.466 -7.962 -9.943 1.00 1.00 H new ATOM 0 HA VAL A 66 -8.652 -7.407 -12.268 1.00 1.00 H new ATOM 0 HB VAL A 66 -8.043 -7.623 -9.285 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -6.427 -5.823 -9.835 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -6.180 -7.243 -10.879 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -7.017 -5.807 -11.514 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -8.722 -5.250 -9.028 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.308 -5.236 -10.708 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -10.109 -6.263 -9.495 1.00 1.00 H new ATOM 1064 N GLN A 67 -7.454 -9.541 -12.379 1.00 1.00 N ATOM 1065 CA GLN A 67 -6.791 -10.873 -12.478 1.00 1.00 C ATOM 1066 C GLN A 67 -5.428 -10.732 -13.163 1.00 1.00 C ATOM 1067 O GLN A 67 -5.085 -9.685 -13.674 1.00 1.00 O ATOM 1068 CB GLN A 67 -7.735 -11.722 -13.330 1.00 1.00 C ATOM 1069 CG GLN A 67 -8.856 -10.841 -13.883 1.00 1.00 C ATOM 1070 CD GLN A 67 -10.212 -11.428 -13.486 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -10.658 -12.400 -14.061 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -10.891 -10.874 -12.518 1.00 1.00 N ATOM 0 H GLN A 67 -7.311 -8.925 -13.180 1.00 1.00 H new ATOM 0 HA GLN A 67 -6.611 -11.321 -11.501 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -7.185 -12.185 -14.149 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -8.155 -12.530 -12.731 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -8.760 -9.827 -13.496 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -8.780 -10.776 -14.968 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -10.517 -10.057 -12.035 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -11.796 -11.258 -12.245 1.00 1.00 H new ATOM 1081 N GLY A 68 -4.650 -11.779 -13.179 1.00 1.00 N ATOM 1082 CA GLY A 68 -3.312 -11.704 -13.832 1.00 1.00 C ATOM 1083 C GLY A 68 -2.297 -11.103 -12.859 1.00 1.00 C ATOM 1084 O GLY A 68 -1.120 -11.012 -13.151 1.00 1.00 O ATOM 0 H GLY A 68 -4.883 -12.683 -12.768 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -2.990 -12.699 -14.140 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -3.370 -11.095 -14.734 1.00 1.00 H new ATOM 1088 N GLY A 69 -2.738 -10.693 -11.701 1.00 1.00 N ATOM 1089 CA GLY A 69 -1.795 -10.100 -10.711 1.00 1.00 C ATOM 1090 C GLY A 69 -1.918 -8.576 -10.731 1.00 1.00 C ATOM 1091 O GLY A 69 -1.247 -7.880 -9.994 1.00 1.00 O ATOM 0 H GLY A 69 -3.711 -10.743 -11.398 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.015 -10.479 -9.713 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -0.772 -10.395 -10.946 1.00 1.00 H new ATOM 1095 N PHE A 70 -2.771 -8.049 -11.567 1.00 1.00 N ATOM 1096 CA PHE A 70 -2.936 -6.569 -11.630 1.00 1.00 C ATOM 1097 C PHE A 70 -4.198 -6.150 -10.871 1.00 1.00 C ATOM 1098 O PHE A 70 -5.240 -5.928 -11.456 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.073 -6.247 -13.118 1.00 1.00 C ATOM 1100 CG PHE A 70 -1.900 -6.828 -13.869 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -0.777 -7.285 -13.168 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -1.933 -6.909 -15.266 1.00 1.00 C ATOM 1103 CE1 PHE A 70 0.312 -7.823 -13.864 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -0.844 -7.446 -15.962 1.00 1.00 C ATOM 1105 CZ PHE A 70 0.279 -7.903 -15.261 1.00 1.00 C ATOM 0 H PHE A 70 -3.360 -8.579 -12.209 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.099 -6.039 -11.176 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -4.006 -6.657 -13.505 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -3.114 -5.168 -13.265 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -0.751 -7.222 -12.090 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -2.799 -6.557 -15.807 1.00 1.00 H new ATOM 0 HE1 PHE A 70 1.177 -8.176 -13.323 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -0.870 -7.508 -17.040 1.00 1.00 H new ATOM 0 HZ PHE A 70 1.119 -8.317 -15.798 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.114 -6.047 -9.573 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.312 -5.649 -8.780 1.00 1.00 C ATOM 1117 C GLY A 71 -6.143 -6.893 -8.463 1.00 1.00 C ATOM 1118 O GLY A 71 -7.312 -6.807 -8.133 1.00 1.00 O ATOM 0 H GLY A 71 -3.270 -6.221 -9.028 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.005 -5.158 -7.857 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -5.911 -4.930 -9.340 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.546 -8.051 -8.549 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.304 -9.297 -8.254 1.00 1.00 C ATOM 1124 C LYS A 72 -6.550 -9.395 -6.753 1.00 1.00 C ATOM 1125 O LYS A 72 -7.335 -10.199 -6.290 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.401 -10.437 -8.727 1.00 1.00 C ATOM 1127 CG LYS A 72 -5.147 -11.401 -7.567 1.00 1.00 C ATOM 1128 CD LYS A 72 -4.501 -10.645 -6.403 1.00 1.00 C ATOM 1129 CE LYS A 72 -2.982 -10.817 -6.463 1.00 1.00 C ATOM 1130 NZ LYS A 72 -2.443 -9.434 -6.583 1.00 1.00 N ATOM 0 H LYS A 72 -4.569 -8.186 -8.810 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.275 -9.326 -8.748 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -5.869 -10.966 -9.557 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -4.456 -10.038 -9.096 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -6.085 -11.853 -7.244 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -4.497 -12.213 -7.892 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -4.760 -9.587 -6.454 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -4.883 -11.022 -5.454 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -2.605 -11.311 -5.568 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -2.687 -11.431 -7.314 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -1.449 -9.421 -6.278 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -2.506 -9.122 -7.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -2.998 -8.792 -5.982 1.00 1.00 H new ATOM 1143 N TYR A 73 -5.903 -8.560 -5.992 1.00 1.00 N ATOM 1144 CA TYR A 73 -6.121 -8.579 -4.525 1.00 1.00 C ATOM 1145 C TYR A 73 -7.410 -7.822 -4.208 1.00 1.00 C ATOM 1146 O TYR A 73 -8.063 -8.072 -3.214 1.00 1.00 O ATOM 1147 CB TYR A 73 -4.909 -7.860 -3.929 1.00 1.00 C ATOM 1148 CG TYR A 73 -4.166 -8.802 -3.013 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -4.628 -9.024 -1.711 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -3.013 -9.455 -3.466 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -3.940 -9.898 -0.861 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -2.324 -10.330 -2.617 1.00 1.00 C ATOM 1153 CZ TYR A 73 -2.788 -10.551 -1.314 1.00 1.00 C ATOM 1154 OH TYR A 73 -2.109 -11.413 -0.478 1.00 1.00 O ATOM 0 H TYR A 73 -5.233 -7.866 -6.324 1.00 1.00 H new ATOM 0 HA TYR A 73 -6.219 -9.587 -4.121 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.250 -7.514 -4.725 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -5.232 -6.977 -3.377 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -5.517 -8.520 -1.361 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -2.655 -9.284 -4.470 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -4.298 -10.068 0.144 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -1.435 -10.834 -2.967 1.00 1.00 H new ATOM 0 HH TYR A 73 -1.333 -11.782 -0.949 1.00 1.00 H new ATOM 1164 N GLN A 74 -7.786 -6.900 -5.057 1.00 1.00 N ATOM 1165 CA GLN A 74 -9.039 -6.131 -4.812 1.00 1.00 C ATOM 1166 C GLN A 74 -10.208 -6.786 -5.552 1.00 1.00 C ATOM 1167 O GLN A 74 -11.279 -6.971 -5.006 1.00 1.00 O ATOM 1168 CB GLN A 74 -8.763 -4.735 -5.372 1.00 1.00 C ATOM 1169 CG GLN A 74 -7.259 -4.459 -5.339 1.00 1.00 C ATOM 1170 CD GLN A 74 -6.588 -5.145 -6.530 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -6.924 -4.881 -7.667 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -5.645 -6.022 -6.316 1.00 1.00 N ATOM 0 H GLN A 74 -7.280 -6.648 -5.906 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.307 -6.099 -3.756 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.134 -4.662 -6.394 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -9.294 -3.985 -4.786 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -7.075 -3.385 -5.373 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -6.832 -4.826 -4.406 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -5.362 -6.244 -5.361 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -5.191 -6.485 -7.103 1.00 1.00 H new ATOM 1181 N GLY A 75 -10.014 -7.135 -6.794 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.117 -7.773 -7.559 1.00 1.00 C ATOM 1183 C GLY A 75 -12.174 -6.718 -7.872 1.00 1.00 C ATOM 1184 O GLY A 75 -12.089 -6.016 -8.858 1.00 1.00 O ATOM 0 H GLY A 75 -9.143 -7.006 -7.309 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.734 -8.208 -8.482 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.556 -8.587 -6.981 1.00 1.00 H new ATOM 1188 N THR A 76 -13.162 -6.595 -7.031 1.00 1.00 N ATOM 1189 CA THR A 76 -14.224 -5.577 -7.272 1.00 1.00 C ATOM 1190 C THR A 76 -13.963 -4.341 -6.409 1.00 1.00 C ATOM 1191 O THR A 76 -14.661 -4.085 -5.448 1.00 1.00 O ATOM 1192 CB THR A 76 -15.529 -6.257 -6.858 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.435 -7.652 -7.115 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.691 -5.667 -7.659 1.00 1.00 C ATOM 0 H THR A 76 -13.281 -7.155 -6.187 1.00 1.00 H new ATOM 0 HA THR A 76 -14.255 -5.244 -8.309 1.00 1.00 H new ATOM 0 HB THR A 76 -15.704 -6.093 -5.795 1.00 1.00 H new ATOM 0 HG1 THR A 76 -16.270 -8.091 -6.849 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.621 -6.153 -7.363 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.762 -4.597 -7.463 1.00 1.00 H new ATOM 0 HG23 THR A 76 -16.519 -5.830 -8.723 1.00 1.00 H new ATOM 1202 N TRP A 77 -12.961 -3.576 -6.743 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.654 -2.361 -5.938 1.00 1.00 C ATOM 1204 C TRP A 77 -13.655 -1.248 -6.255 1.00 1.00 C ATOM 1205 O TRP A 77 -14.331 -1.274 -7.264 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.242 -1.949 -6.357 1.00 1.00 C ATOM 1207 CG TRP A 77 -11.052 -2.222 -7.815 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -12.041 -2.522 -8.686 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.815 -2.224 -8.585 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.492 -2.707 -9.941 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -10.122 -2.535 -9.931 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.468 -1.988 -8.251 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -9.131 -2.610 -10.910 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.468 -2.063 -9.234 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.798 -2.373 -10.561 1.00 1.00 C ATOM 0 H TRP A 77 -12.342 -3.739 -7.537 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.720 -2.551 -4.867 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.085 -0.890 -6.151 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.504 -2.500 -5.774 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -13.090 -2.604 -8.441 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -12.033 -2.942 -10.773 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.202 -1.748 -7.232 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.392 -2.849 -11.930 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.438 -1.881 -8.966 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -7.024 -2.429 -11.312 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.752 -0.269 -5.400 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.702 0.851 -5.649 1.00 1.00 C ATOM 1228 C VAL A 78 -14.069 2.175 -5.220 1.00 1.00 C ATOM 1229 O VAL A 78 -13.052 2.190 -4.554 1.00 1.00 O ATOM 1230 CB VAL A 78 -15.923 0.539 -4.785 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.111 0.192 -5.686 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.612 -0.651 -3.874 1.00 1.00 C ATOM 0 H VAL A 78 -13.213 -0.196 -4.537 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.965 0.945 -6.703 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.169 1.409 -4.177 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -17.982 -0.031 -5.070 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.333 1.038 -6.337 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.865 -0.679 -6.294 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.483 -0.874 -3.257 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.366 -1.521 -4.483 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.766 -0.406 -3.232 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.697 3.248 -5.612 1.00 1.00 N ATOM 1243 CA PRO A 79 -14.188 4.593 -5.256 1.00 1.00 C ATOM 1244 C PRO A 79 -14.043 4.710 -3.737 1.00 1.00 C ATOM 1245 O PRO A 79 -15.017 4.750 -3.013 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.263 5.548 -5.775 1.00 1.00 C ATOM 1247 CG PRO A 79 -16.048 4.762 -6.781 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.923 3.308 -6.412 1.00 1.00 C ATOM 0 HA PRO A 79 -13.207 4.806 -5.681 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -15.903 5.896 -4.964 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.816 6.432 -6.230 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -17.093 5.070 -6.778 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -15.667 4.937 -7.787 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.787 2.965 -5.843 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.853 2.676 -7.298 1.00 1.00 H new ATOM 1256 N LEU A 80 -12.834 4.759 -3.247 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.637 4.868 -1.773 1.00 1.00 C ATOM 1258 C LEU A 80 -13.511 5.990 -1.210 1.00 1.00 C ATOM 1259 O LEU A 80 -13.956 5.936 -0.080 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.154 5.200 -1.594 1.00 1.00 C ATOM 1261 CG LEU A 80 -11.002 6.678 -1.235 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -10.253 6.808 0.093 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -10.212 7.390 -2.336 1.00 1.00 C ATOM 0 H LEU A 80 -11.978 4.728 -3.800 1.00 1.00 H new ATOM 0 HA LEU A 80 -12.914 3.954 -1.248 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -10.723 4.578 -0.809 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -10.608 4.980 -2.511 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.989 7.132 -1.141 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -10.145 7.862 0.348 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -10.813 6.300 0.878 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -9.266 6.354 0.000 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -10.103 8.444 -2.082 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -9.226 6.935 -2.429 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -10.744 7.299 -3.283 1.00 1.00 H new ATOM 1275 N ASN A 81 -13.766 7.002 -1.993 1.00 1.00 N ATOM 1276 CA ASN A 81 -14.618 8.124 -1.506 1.00 1.00 C ATOM 1277 C ASN A 81 -16.064 7.649 -1.348 1.00 1.00 C ATOM 1278 O ASN A 81 -16.765 8.051 -0.440 1.00 1.00 O ATOM 1279 CB ASN A 81 -14.520 9.197 -2.592 1.00 1.00 C ATOM 1280 CG ASN A 81 -15.893 9.834 -2.806 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -16.895 9.147 -2.851 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -15.984 11.128 -2.939 1.00 1.00 N ATOM 0 H ASN A 81 -13.422 7.101 -2.948 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.296 8.500 -0.535 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -13.796 9.958 -2.302 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -14.163 8.756 -3.523 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -16.896 11.563 -3.081 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -15.144 11.705 -2.901 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.512 6.790 -2.223 1.00 1.00 N ATOM 1290 CA ILE A 82 -17.911 6.283 -2.122 1.00 1.00 C ATOM 1291 C ILE A 82 -17.928 4.959 -1.356 1.00 1.00 C ATOM 1292 O ILE A 82 -18.810 4.699 -0.561 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.362 6.074 -3.566 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -19.775 6.636 -3.744 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -18.365 4.580 -3.891 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -20.750 5.490 -4.016 1.00 1.00 C ATOM 0 H ILE A 82 -15.970 6.417 -3.003 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.567 6.971 -1.589 1.00 1.00 H new ATOM 0 HB ILE A 82 -17.676 6.590 -4.238 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -20.077 7.180 -2.849 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -19.794 7.347 -4.570 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -18.687 4.433 -4.922 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -17.360 4.178 -3.764 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -19.050 4.063 -3.219 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -21.756 5.890 -4.143 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -20.451 4.966 -4.924 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -20.739 4.796 -3.176 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.957 4.120 -1.592 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.911 2.813 -0.879 1.00 1.00 C ATOM 1310 C ALA A 83 -16.774 3.036 0.629 1.00 1.00 C ATOM 1311 O ALA A 83 -17.552 2.531 1.412 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.674 2.104 -1.432 1.00 1.00 C ATOM 0 H ALA A 83 -16.193 4.284 -2.248 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.818 2.228 -1.031 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -15.569 1.130 -0.955 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.782 1.971 -2.509 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.788 2.705 -1.227 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.785 3.782 1.043 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.597 4.025 2.503 1.00 1.00 C ATOM 1320 C LYS A 84 -16.867 4.617 3.121 1.00 1.00 C ATOM 1321 O LYS A 84 -17.203 4.333 4.253 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.444 5.025 2.590 1.00 1.00 C ATOM 1323 CG LYS A 84 -14.889 6.370 2.014 1.00 1.00 C ATOM 1324 CD LYS A 84 -13.685 7.082 1.393 1.00 1.00 C ATOM 1325 CE LYS A 84 -13.184 8.168 2.347 1.00 1.00 C ATOM 1326 NZ LYS A 84 -11.968 8.723 1.694 1.00 1.00 N ATOM 0 H LYS A 84 -15.101 4.233 0.435 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.386 3.104 3.047 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -14.132 5.147 3.627 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.581 4.650 2.040 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -15.663 6.217 1.262 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -15.325 6.988 2.799 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -12.889 6.365 1.192 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -13.964 7.524 0.437 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -13.939 8.940 2.497 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -12.951 7.755 3.328 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -11.905 9.743 1.888 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -11.124 8.246 2.070 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -12.024 8.569 0.667 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.579 5.435 2.396 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.819 6.028 2.964 1.00 1.00 C ATOM 1341 C GLN A 85 -19.915 4.965 3.059 1.00 1.00 C ATOM 1342 O GLN A 85 -20.760 5.007 3.931 1.00 1.00 O ATOM 1343 CB GLN A 85 -19.217 7.128 1.982 1.00 1.00 C ATOM 1344 CG GLN A 85 -18.266 7.118 0.785 1.00 1.00 C ATOM 1345 CD GLN A 85 -18.815 8.042 -0.303 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -18.165 8.989 -0.699 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -19.995 7.805 -0.807 1.00 1.00 N ATOM 0 H GLN A 85 -17.357 5.716 1.441 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.669 6.418 3.971 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -20.242 6.975 1.645 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -19.185 8.099 2.476 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -17.273 7.448 1.092 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -18.160 6.104 0.398 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -20.541 7.010 -0.475 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -20.371 8.415 -1.533 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.901 4.006 2.175 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.936 2.937 2.225 1.00 1.00 C ATOM 1358 C LEU A 86 -20.569 1.912 3.299 1.00 1.00 C ATOM 1359 O LEU A 86 -21.380 1.544 4.126 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.912 2.297 0.839 1.00 1.00 C ATOM 1361 CG LEU A 86 -21.947 1.172 0.777 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -21.306 -0.138 1.239 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -23.124 1.512 1.693 1.00 1.00 C ATOM 0 H LEU A 86 -19.219 3.917 1.422 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.925 3.323 2.474 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -21.128 3.046 0.077 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -19.918 1.903 0.626 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.302 1.062 -0.248 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -22.044 -0.939 1.195 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -20.466 -0.381 0.588 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -20.951 -0.028 2.264 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -23.862 0.711 1.650 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -22.768 1.622 2.717 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -23.582 2.445 1.366 1.00 1.00 H new ATOM 1375 N ALA A 87 -19.349 1.450 3.291 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.923 0.449 4.310 1.00 1.00 C ATOM 1377 C ALA A 87 -18.479 1.153 5.596 1.00 1.00 C ATOM 1378 O ALA A 87 -19.018 0.918 6.661 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.746 -0.289 3.672 1.00 1.00 C ATOM 0 H ALA A 87 -18.628 1.722 2.623 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.732 -0.229 4.583 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -17.374 -1.046 4.362 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -18.074 -0.769 2.750 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.950 0.421 3.448 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.500 2.014 5.508 1.00 1.00 N ATOM 1386 CA GLU A 88 -17.017 2.729 6.718 1.00 1.00 C ATOM 1387 C GLU A 88 -18.190 3.096 7.628 1.00 1.00 C ATOM 1388 O GLU A 88 -18.030 3.270 8.820 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.334 3.980 6.180 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.272 5.182 6.323 1.00 1.00 C ATOM 1391 CD GLU A 88 -16.651 6.399 5.635 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -15.464 6.356 5.357 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -17.373 7.354 5.399 1.00 1.00 O ATOM 0 H GLU A 88 -17.014 2.252 4.644 1.00 1.00 H new ATOM 0 HA GLU A 88 -16.341 2.120 7.319 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.407 4.163 6.724 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -16.066 3.838 5.133 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -18.241 4.955 5.879 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -17.447 5.397 7.377 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.369 3.200 7.082 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.547 3.537 7.927 1.00 1.00 C ATOM 1402 C LYS A 89 -20.866 2.362 8.853 1.00 1.00 C ATOM 1403 O LYS A 89 -20.244 2.178 9.881 1.00 1.00 O ATOM 1404 CB LYS A 89 -21.692 3.771 6.940 1.00 1.00 C ATOM 1405 CG LYS A 89 -22.335 5.132 7.215 1.00 1.00 C ATOM 1406 CD LYS A 89 -23.845 5.040 6.985 1.00 1.00 C ATOM 1407 CE LYS A 89 -24.555 4.856 8.328 1.00 1.00 C ATOM 1408 NZ LYS A 89 -24.331 3.429 8.689 1.00 1.00 N ATOM 0 H LYS A 89 -19.567 3.067 6.090 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.375 4.410 8.557 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.317 3.734 5.917 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -22.436 2.980 7.036 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -22.131 5.442 8.240 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -21.902 5.889 6.561 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -24.204 5.943 6.492 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -24.073 4.204 6.324 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -24.146 5.524 9.086 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -25.619 5.080 8.246 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -25.133 3.084 9.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -24.249 2.860 7.822 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -23.455 3.344 9.243 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.827 1.560 8.486 1.00 1.00 N ATOM 1422 CA PHE A 90 -22.187 0.387 9.332 1.00 1.00 C ATOM 1423 C PHE A 90 -21.769 -0.911 8.633 1.00 1.00 C ATOM 1424 O PHE A 90 -21.972 -1.995 9.143 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.708 0.453 9.475 1.00 1.00 C ATOM 1426 CG PHE A 90 -24.356 -0.113 8.234 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -24.115 -1.440 7.861 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -25.197 0.691 7.455 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -24.714 -1.964 6.710 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -25.797 0.167 6.304 1.00 1.00 C ATOM 1431 CZ PHE A 90 -25.556 -1.160 5.931 1.00 1.00 C ATOM 0 H PHE A 90 -22.380 1.666 7.635 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.687 0.405 10.300 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -24.026 -0.109 10.353 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -24.025 1.485 9.625 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -23.466 -2.060 8.462 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -25.383 1.715 7.742 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -24.527 -2.988 6.422 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -26.446 0.787 5.704 1.00 1.00 H new ATOM 0 HZ PHE A 90 -26.019 -1.564 5.043 1.00 1.00 H new ATOM 1441 N SER A 91 -21.197 -0.810 7.464 1.00 1.00 N ATOM 1442 CA SER A 91 -20.778 -2.034 6.727 1.00 1.00 C ATOM 1443 C SER A 91 -19.535 -2.654 7.372 1.00 1.00 C ATOM 1444 O SER A 91 -19.619 -3.625 8.096 1.00 1.00 O ATOM 1445 CB SER A 91 -20.465 -1.555 5.311 1.00 1.00 C ATOM 1446 OG SER A 91 -21.162 -0.342 5.061 1.00 1.00 O ATOM 0 H SER A 91 -21.002 0.070 6.987 1.00 1.00 H new ATOM 0 HA SER A 91 -21.551 -2.802 6.739 1.00 1.00 H new ATOM 0 HB2 SER A 91 -19.392 -1.402 5.195 1.00 1.00 H new ATOM 0 HB3 SER A 91 -20.759 -2.313 4.585 1.00 1.00 H new ATOM 0 HG SER A 91 -21.977 -0.532 4.551 1.00 1.00 H new ATOM 1452 N VAL A 92 -18.381 -2.097 7.119 1.00 1.00 N ATOM 1453 CA VAL A 92 -17.136 -2.651 7.722 1.00 1.00 C ATOM 1454 C VAL A 92 -16.465 -1.588 8.596 1.00 1.00 C ATOM 1455 O VAL A 92 -15.342 -1.743 9.034 1.00 1.00 O ATOM 1456 CB VAL A 92 -16.248 -3.015 6.533 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -16.401 -4.504 6.218 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -16.667 -2.191 5.313 1.00 1.00 C ATOM 0 H VAL A 92 -18.247 -1.282 6.520 1.00 1.00 H new ATOM 0 HA VAL A 92 -17.328 -3.514 8.360 1.00 1.00 H new ATOM 0 HB VAL A 92 -15.208 -2.801 6.778 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -15.767 -4.763 5.370 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -16.104 -5.092 7.086 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -17.441 -4.719 5.973 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -16.034 -2.450 4.464 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -17.707 -2.406 5.069 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -16.558 -1.130 5.536 1.00 1.00 H new ATOM 1468 N TYR A 93 -17.152 -0.508 8.850 1.00 1.00 N ATOM 1469 CA TYR A 93 -16.570 0.575 9.696 1.00 1.00 C ATOM 1470 C TYR A 93 -15.847 -0.023 10.906 1.00 1.00 C ATOM 1471 O TYR A 93 -14.917 0.553 11.434 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.769 1.413 10.143 1.00 1.00 C ATOM 1473 CG TYR A 93 -18.635 0.598 11.073 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -19.413 -0.449 10.565 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -18.661 0.890 12.441 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -20.217 -1.205 11.426 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -19.465 0.134 13.304 1.00 1.00 C ATOM 1478 CZ TYR A 93 -20.243 -0.913 12.796 1.00 1.00 C ATOM 1479 OH TYR A 93 -21.035 -1.658 13.645 1.00 1.00 O ATOM 0 H TYR A 93 -18.095 -0.327 8.507 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.834 1.171 9.155 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.427 2.317 10.647 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -18.347 1.731 9.276 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -19.393 -0.673 9.509 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -18.061 1.698 12.832 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -20.817 -2.013 11.034 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -19.485 0.359 14.360 1.00 1.00 H new ATOM 0 HH TYR A 93 -20.936 -1.325 14.561 1.00 1.00 H new ATOM 1489 N ASP A 94 -16.267 -1.176 11.346 1.00 1.00 N ATOM 1490 CA ASP A 94 -15.605 -1.813 12.522 1.00 1.00 C ATOM 1491 C ASP A 94 -14.383 -2.619 12.071 1.00 1.00 C ATOM 1492 O ASP A 94 -13.269 -2.361 12.485 1.00 1.00 O ATOM 1493 CB ASP A 94 -16.665 -2.736 13.121 1.00 1.00 C ATOM 1494 CG ASP A 94 -16.642 -2.620 14.646 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -16.550 -1.505 15.134 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -16.717 -3.647 15.300 1.00 1.00 O ATOM 0 H ASP A 94 -17.040 -1.706 10.943 1.00 1.00 H new ATOM 0 HA ASP A 94 -15.250 -1.078 13.244 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -17.651 -2.469 12.741 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -16.476 -3.767 12.821 1.00 1.00 H new ATOM 1501 N GLN A 95 -14.583 -3.594 11.228 1.00 1.00 N ATOM 1502 CA GLN A 95 -13.435 -4.420 10.754 1.00 1.00 C ATOM 1503 C GLN A 95 -12.376 -3.538 10.087 1.00 1.00 C ATOM 1504 O GLN A 95 -11.192 -3.700 10.311 1.00 1.00 O ATOM 1505 CB GLN A 95 -14.039 -5.392 9.743 1.00 1.00 C ATOM 1506 CG GLN A 95 -15.543 -5.523 9.996 1.00 1.00 C ATOM 1507 CD GLN A 95 -15.780 -5.970 11.439 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -14.849 -6.083 12.213 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -16.994 -6.232 11.837 1.00 1.00 N ATOM 0 H GLN A 95 -15.492 -3.855 10.846 1.00 1.00 H new ATOM 0 HA GLN A 95 -12.937 -4.938 11.574 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -13.860 -5.036 8.728 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -13.559 -6.367 9.828 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -16.038 -4.569 9.814 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -15.977 -6.245 9.304 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -17.775 -6.137 11.188 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -17.162 -6.532 12.797 1.00 1.00 H new ATOM 1518 N LEU A 96 -12.786 -2.611 9.266 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.796 -1.728 8.586 1.00 1.00 C ATOM 1520 C LEU A 96 -11.378 -0.583 9.513 1.00 1.00 C ATOM 1521 O LEU A 96 -11.063 0.503 9.068 1.00 1.00 O ATOM 1522 CB LEU A 96 -12.525 -1.181 7.359 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.698 -2.098 7.013 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -14.351 -1.624 5.713 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -13.189 -3.530 6.835 1.00 1.00 C ATOM 0 H LEU A 96 -13.763 -2.427 9.036 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.887 -2.265 8.315 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -12.885 -0.171 7.557 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.839 -1.115 6.514 1.00 1.00 H new ATOM 0 HG LEU A 96 -14.431 -2.070 7.819 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -15.187 -2.278 5.466 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -14.713 -0.604 5.839 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -13.618 -1.652 4.906 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -14.025 -4.185 6.588 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -12.456 -3.558 6.029 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -12.724 -3.868 7.761 1.00 1.00 H new ATOM 1537 N LYS A 97 -11.368 -0.816 10.796 1.00 1.00 N ATOM 1538 CA LYS A 97 -10.966 0.264 11.742 1.00 1.00 C ATOM 1539 C LYS A 97 -9.585 0.806 11.361 1.00 1.00 C ATOM 1540 O LYS A 97 -9.433 1.979 11.079 1.00 1.00 O ATOM 1541 CB LYS A 97 -10.919 -0.407 13.115 1.00 1.00 C ATOM 1542 CG LYS A 97 -11.787 0.383 14.098 1.00 1.00 C ATOM 1543 CD LYS A 97 -12.919 -0.508 14.611 1.00 1.00 C ATOM 1544 CE LYS A 97 -13.546 0.127 15.853 1.00 1.00 C ATOM 1545 NZ LYS A 97 -13.056 1.534 15.854 1.00 1.00 N ATOM 0 H LYS A 97 -11.620 -1.704 11.230 1.00 1.00 H new ATOM 0 HA LYS A 97 -11.656 1.107 11.727 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -11.276 -1.434 13.042 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -9.891 -0.451 13.475 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -11.181 0.735 14.933 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -12.198 1.265 13.608 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -13.674 -0.638 13.835 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -12.535 -1.500 14.851 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -14.634 0.088 15.810 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -13.244 -0.397 16.760 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -13.639 2.104 16.500 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -12.066 1.556 16.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -13.121 1.925 14.892 1.00 1.00 H new ATOM 1558 N PRO A 98 -8.622 -0.075 11.362 1.00 1.00 N ATOM 1559 CA PRO A 98 -7.233 0.311 11.009 1.00 1.00 C ATOM 1560 C PRO A 98 -7.172 0.813 9.563 1.00 1.00 C ATOM 1561 O PRO A 98 -6.782 1.934 9.300 1.00 1.00 O ATOM 1562 CB PRO A 98 -6.431 -0.983 11.166 1.00 1.00 C ATOM 1563 CG PRO A 98 -7.314 -1.921 11.932 1.00 1.00 C ATOM 1564 CD PRO A 98 -8.735 -1.495 11.691 1.00 1.00 C ATOM 0 HA PRO A 98 -6.848 1.117 11.634 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -6.168 -1.400 10.194 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -5.497 -0.802 11.699 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -7.160 -2.949 11.603 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -7.078 -1.888 12.996 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -9.189 -2.059 10.877 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -9.355 -1.653 12.573 1.00 1.00 H new ATOM 1572 N LEU A 99 -7.552 -0.010 8.623 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.514 0.419 7.195 1.00 1.00 C ATOM 1574 C LEU A 99 -8.232 1.761 7.025 1.00 1.00 C ATOM 1575 O LEU A 99 -7.815 2.605 6.256 1.00 1.00 O ATOM 1576 CB LEU A 99 -8.248 -0.682 6.431 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.853 -0.100 5.153 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -9.782 -1.132 4.510 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -9.651 1.160 5.495 1.00 1.00 C ATOM 0 H LEU A 99 -7.887 -0.960 8.782 1.00 1.00 H new ATOM 0 HA LEU A 99 -6.495 0.557 6.833 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -7.559 -1.490 6.185 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -9.032 -1.111 7.055 1.00 1.00 H new ATOM 0 HG LEU A 99 -8.054 0.153 4.456 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -10.213 -0.716 3.599 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -9.215 -2.030 4.266 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -10.581 -1.386 5.206 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -10.083 1.576 4.584 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -10.450 0.907 6.192 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -8.990 1.896 5.952 1.00 1.00 H new ATOM 1591 N PHE A 100 -9.307 1.964 7.735 1.00 1.00 N ATOM 1592 CA PHE A 100 -10.048 3.251 7.611 1.00 1.00 C ATOM 1593 C PHE A 100 -9.269 4.376 8.296 1.00 1.00 C ATOM 1594 O PHE A 100 -9.404 5.535 7.955 1.00 1.00 O ATOM 1595 CB PHE A 100 -11.381 3.012 8.322 1.00 1.00 C ATOM 1596 CG PHE A 100 -12.448 2.706 7.298 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -12.328 3.202 5.994 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -13.556 1.928 7.652 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -13.317 2.918 5.044 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -14.545 1.645 6.702 1.00 1.00 C ATOM 1601 CZ PHE A 100 -14.426 2.140 5.398 1.00 1.00 C ATOM 0 H PHE A 100 -9.704 1.295 8.395 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.189 3.548 6.572 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -11.288 2.184 9.025 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -11.659 3.892 8.902 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -11.473 3.803 5.721 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -13.648 1.546 8.658 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -13.224 3.299 4.038 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -15.400 1.045 6.975 1.00 1.00 H new ATOM 0 HZ PHE A 100 -15.189 1.922 4.666 1.00 1.00 H new ATOM 1611 N ASP A 101 -8.452 4.044 9.258 1.00 1.00 N ATOM 1612 CA ASP A 101 -7.663 5.094 9.962 1.00 1.00 C ATOM 1613 C ASP A 101 -6.451 5.499 9.118 1.00 1.00 C ATOM 1614 O ASP A 101 -5.922 6.584 9.258 1.00 1.00 O ATOM 1615 CB ASP A 101 -7.213 4.442 11.270 1.00 1.00 C ATOM 1616 CG ASP A 101 -8.270 4.677 12.349 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -9.278 5.291 12.039 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -8.054 4.239 13.467 1.00 1.00 O ATOM 0 H ASP A 101 -8.297 3.091 9.587 1.00 1.00 H new ATOM 0 HA ASP A 101 -8.244 5.999 10.138 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -7.061 3.373 11.122 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -6.257 4.859 11.586 1.00 1.00 H new ATOM 1623 N PHE A 102 -6.007 4.637 8.245 1.00 1.00 N ATOM 1624 CA PHE A 102 -4.831 4.976 7.396 1.00 1.00 C ATOM 1625 C PHE A 102 -3.842 5.831 8.190 1.00 1.00 C ATOM 1626 O PHE A 102 -4.219 6.570 9.077 1.00 1.00 O ATOM 1627 CB PHE A 102 -5.405 5.770 6.223 1.00 1.00 C ATOM 1628 CG PHE A 102 -4.652 5.420 4.961 1.00 1.00 C ATOM 1629 CD1 PHE A 102 -3.256 5.515 4.931 1.00 1.00 C ATOM 1630 CD2 PHE A 102 -5.350 5.001 3.822 1.00 1.00 C ATOM 1631 CE1 PHE A 102 -2.557 5.191 3.762 1.00 1.00 C ATOM 1632 CE2 PHE A 102 -4.651 4.679 2.652 1.00 1.00 C ATOM 1633 CZ PHE A 102 -3.255 4.772 2.622 1.00 1.00 C ATOM 0 H PHE A 102 -6.408 3.713 8.083 1.00 1.00 H new ATOM 0 HA PHE A 102 -4.291 4.090 7.061 1.00 1.00 H new ATOM 0 HB2 PHE A 102 -6.464 5.545 6.101 1.00 1.00 H new ATOM 0 HB3 PHE A 102 -5.327 6.839 6.421 1.00 1.00 H new ATOM 0 HD1 PHE A 102 -2.718 5.838 5.810 1.00 1.00 H new ATOM 0 HD2 PHE A 102 -6.427 4.926 3.846 1.00 1.00 H new ATOM 0 HE1 PHE A 102 -1.480 5.264 3.739 1.00 1.00 H new ATOM 0 HE2 PHE A 102 -5.190 4.359 1.772 1.00 1.00 H new ATOM 0 HZ PHE A 102 -2.716 4.521 1.720 1.00 1.00 H new ATOM 1643 N THR A 103 -2.579 5.740 7.878 1.00 1.00 N ATOM 1644 CA THR A 103 -1.571 6.552 8.615 1.00 1.00 C ATOM 1645 C THR A 103 -1.552 7.982 8.071 1.00 1.00 C ATOM 1646 O THR A 103 -0.898 8.272 7.089 1.00 1.00 O ATOM 1647 CB THR A 103 -0.233 5.858 8.355 1.00 1.00 C ATOM 1648 OG1 THR A 103 -0.276 5.210 7.090 1.00 1.00 O ATOM 1649 CG2 THR A 103 0.031 4.825 9.451 1.00 1.00 C ATOM 0 H THR A 103 -2.202 5.139 7.145 1.00 1.00 H new ATOM 0 HA THR A 103 -1.791 6.619 9.681 1.00 1.00 H new ATOM 0 HB THR A 103 0.567 6.598 8.358 1.00 1.00 H new ATOM 0 HG1 THR A 103 0.581 4.766 6.921 1.00 1.00 H new ATOM 0 HG21 THR A 103 0.985 4.332 9.264 1.00 1.00 H new ATOM 0 HG22 THR A 103 0.064 5.323 10.420 1.00 1.00 H new ATOM 0 HG23 THR A 103 -0.767 4.083 9.451 1.00 1.00 H new ATOM 1657 N GLN A 104 -2.279 8.873 8.688 1.00 1.00 N ATOM 1658 CA GLN A 104 -2.315 10.277 8.186 1.00 1.00 C ATOM 1659 C GLN A 104 -1.146 11.082 8.759 1.00 1.00 C ATOM 1660 O GLN A 104 -0.880 11.064 9.945 1.00 1.00 O ATOM 1661 CB GLN A 104 -3.647 10.838 8.682 1.00 1.00 C ATOM 1662 CG GLN A 104 -3.420 12.212 9.313 1.00 1.00 C ATOM 1663 CD GLN A 104 -2.975 12.038 10.767 1.00 1.00 C ATOM 1664 OE1 GLN A 104 -3.014 12.973 11.543 1.00 1.00 O ATOM 1665 NE2 GLN A 104 -2.551 10.873 11.172 1.00 1.00 N ATOM 0 H GLN A 104 -2.848 8.691 9.515 1.00 1.00 H new ATOM 0 HA GLN A 104 -2.227 10.328 7.101 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -4.351 10.919 7.853 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -4.090 10.160 9.412 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -2.663 12.761 8.753 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -4.337 12.800 9.270 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -2.518 10.088 10.522 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -2.252 10.747 12.139 1.00 1.00 H new ATOM 1674 N THR A 105 -0.445 11.782 7.910 1.00 1.00 N ATOM 1675 CA THR A 105 0.720 12.593 8.365 1.00 1.00 C ATOM 1676 C THR A 105 0.383 14.085 8.310 1.00 1.00 C ATOM 1677 O THR A 105 -0.550 14.493 7.650 1.00 1.00 O ATOM 1678 CB THR A 105 1.844 12.260 7.383 1.00 1.00 C ATOM 1679 OG1 THR A 105 1.494 11.097 6.644 1.00 1.00 O ATOM 1680 CG2 THR A 105 3.139 12.006 8.154 1.00 1.00 C ATOM 0 H THR A 105 -0.632 11.827 6.908 1.00 1.00 H new ATOM 0 HA THR A 105 0.999 12.370 9.395 1.00 1.00 H new ATOM 0 HB THR A 105 1.990 13.096 6.699 1.00 1.00 H new ATOM 0 HG1 THR A 105 1.655 11.255 5.690 1.00 1.00 H new ATOM 0 HG21 THR A 105 3.939 11.769 7.453 1.00 1.00 H new ATOM 0 HG22 THR A 105 3.406 12.898 8.721 1.00 1.00 H new ATOM 0 HG23 THR A 105 2.997 11.170 8.839 1.00 1.00 H new ATOM 1688 N ASP A 106 1.142 14.898 8.993 1.00 1.00 N ATOM 1689 CA ASP A 106 0.892 16.373 8.984 1.00 1.00 C ATOM 1690 C ASP A 106 0.374 16.839 7.616 1.00 1.00 C ATOM 1691 O ASP A 106 0.574 17.971 7.222 1.00 1.00 O ATOM 1692 CB ASP A 106 2.253 17.003 9.280 1.00 1.00 C ATOM 1693 CG ASP A 106 3.285 15.899 9.522 1.00 1.00 C ATOM 1694 OD1 ASP A 106 3.011 15.029 10.333 1.00 1.00 O ATOM 1695 OD2 ASP A 106 4.330 15.943 8.895 1.00 1.00 O ATOM 0 H ASP A 106 1.934 14.602 9.564 1.00 1.00 H new ATOM 0 HA ASP A 106 0.133 16.658 9.713 1.00 1.00 H new ATOM 0 HB2 ASP A 106 2.565 17.630 8.445 1.00 1.00 H new ATOM 0 HB3 ASP A 106 2.184 17.649 10.155 1.00 1.00 H new ATOM 1700 N GLY A 107 -0.278 15.978 6.884 1.00 1.00 N ATOM 1701 CA GLY A 107 -0.791 16.372 5.543 1.00 1.00 C ATOM 1702 C GLY A 107 0.181 15.891 4.464 1.00 1.00 C ATOM 1703 O GLY A 107 -0.077 16.014 3.283 1.00 1.00 O ATOM 0 H GLY A 107 -0.478 15.016 7.158 1.00 1.00 H new ATOM 0 HA2 GLY A 107 -1.778 15.939 5.378 1.00 1.00 H new ATOM 0 HA3 GLY A 107 -0.905 17.455 5.489 1.00 1.00 H new ATOM 1707 N SER A 108 1.287 15.324 4.860 1.00 1.00 N ATOM 1708 CA SER A 108 2.263 14.813 3.856 1.00 1.00 C ATOM 1709 C SER A 108 1.938 13.353 3.532 1.00 1.00 C ATOM 1710 O SER A 108 2.254 12.455 4.289 1.00 1.00 O ATOM 1711 CB SER A 108 3.629 14.925 4.532 1.00 1.00 C ATOM 1712 OG SER A 108 3.948 13.686 5.152 1.00 1.00 O ATOM 0 H SER A 108 1.557 15.192 5.835 1.00 1.00 H new ATOM 0 HA SER A 108 2.235 15.370 2.920 1.00 1.00 H new ATOM 0 HB2 SER A 108 4.391 15.184 3.797 1.00 1.00 H new ATOM 0 HB3 SER A 108 3.616 15.724 5.274 1.00 1.00 H new ATOM 0 HG SER A 108 3.166 13.097 5.127 1.00 1.00 H new ATOM 1718 N ALA A 109 1.293 13.106 2.425 1.00 1.00 N ATOM 1719 CA ALA A 109 0.934 11.702 2.073 1.00 1.00 C ATOM 1720 C ALA A 109 2.186 10.890 1.731 1.00 1.00 C ATOM 1721 O ALA A 109 2.849 11.137 0.743 1.00 1.00 O ATOM 1722 CB ALA A 109 0.026 11.822 0.848 1.00 1.00 C ATOM 0 H ALA A 109 1.000 13.813 1.751 1.00 1.00 H new ATOM 0 HA ALA A 109 0.446 11.188 2.901 1.00 1.00 H new ATOM 0 HB1 ALA A 109 -0.283 10.828 0.525 1.00 1.00 H new ATOM 0 HB2 ALA A 109 -0.855 12.410 1.104 1.00 1.00 H new ATOM 0 HB3 ALA A 109 0.568 12.313 0.040 1.00 1.00 H new ATOM 1728 N SER A 110 2.504 9.913 2.536 1.00 1.00 N ATOM 1729 CA SER A 110 3.701 9.071 2.255 1.00 1.00 C ATOM 1730 C SER A 110 3.273 7.618 2.036 1.00 1.00 C ATOM 1731 O SER A 110 3.238 6.835 2.964 1.00 1.00 O ATOM 1732 CB SER A 110 4.573 9.191 3.503 1.00 1.00 C ATOM 1733 OG SER A 110 4.656 7.924 4.142 1.00 1.00 O ATOM 0 H SER A 110 1.985 9.661 3.378 1.00 1.00 H new ATOM 0 HA SER A 110 4.233 9.389 1.358 1.00 1.00 H new ATOM 0 HB2 SER A 110 5.569 9.540 3.232 1.00 1.00 H new ATOM 0 HB3 SER A 110 4.151 9.929 4.186 1.00 1.00 H new ATOM 0 HG SER A 110 3.762 7.528 4.200 1.00 1.00 H new ATOM 1739 N PRO A 111 2.956 7.304 0.808 1.00 1.00 N ATOM 1740 CA PRO A 111 2.522 5.930 0.467 1.00 1.00 C ATOM 1741 C PRO A 111 3.722 4.980 0.438 1.00 1.00 C ATOM 1742 O PRO A 111 4.484 4.972 -0.509 1.00 1.00 O ATOM 1743 CB PRO A 111 1.918 6.079 -0.926 1.00 1.00 C ATOM 1744 CG PRO A 111 2.558 7.304 -1.507 1.00 1.00 C ATOM 1745 CD PRO A 111 2.969 8.192 -0.358 1.00 1.00 C ATOM 0 HA PRO A 111 1.821 5.513 1.190 1.00 1.00 H new ATOM 0 HB2 PRO A 111 2.122 5.201 -1.539 1.00 1.00 H new ATOM 0 HB3 PRO A 111 0.835 6.188 -0.875 1.00 1.00 H new ATOM 0 HG2 PRO A 111 3.424 7.034 -2.111 1.00 1.00 H new ATOM 0 HG3 PRO A 111 1.861 7.825 -2.164 1.00 1.00 H new ATOM 0 HD2 PRO A 111 3.958 8.621 -0.521 1.00 1.00 H new ATOM 0 HD3 PRO A 111 2.277 9.025 -0.232 1.00 1.00 H new ATOM 1753 N PRO A 112 3.848 4.208 1.482 1.00 1.00 N ATOM 1754 CA PRO A 112 4.962 3.240 1.580 1.00 1.00 C ATOM 1755 C PRO A 112 4.641 1.973 0.782 1.00 1.00 C ATOM 1756 O PRO A 112 3.583 1.394 0.935 1.00 1.00 O ATOM 1757 CB PRO A 112 5.030 2.934 3.072 1.00 1.00 C ATOM 1758 CG PRO A 112 3.646 3.185 3.590 1.00 1.00 C ATOM 1759 CD PRO A 112 2.975 4.167 2.659 1.00 1.00 C ATOM 0 HA PRO A 112 5.901 3.622 1.180 1.00 1.00 H new ATOM 0 HB2 PRO A 112 5.335 1.903 3.249 1.00 1.00 H new ATOM 0 HB3 PRO A 112 5.759 3.572 3.572 1.00 1.00 H new ATOM 0 HG2 PRO A 112 3.081 2.254 3.635 1.00 1.00 H new ATOM 0 HG3 PRO A 112 3.684 3.584 4.603 1.00 1.00 H new ATOM 0 HD2 PRO A 112 1.969 3.841 2.396 1.00 1.00 H new ATOM 0 HD3 PRO A 112 2.882 5.151 3.119 1.00 1.00 H new ATOM 1767 N PRO A 113 5.572 1.583 -0.044 1.00 1.00 N ATOM 1768 CA PRO A 113 5.396 0.369 -0.876 1.00 1.00 C ATOM 1769 C PRO A 113 5.480 -0.887 -0.005 1.00 1.00 C ATOM 1770 O PRO A 113 6.267 -0.963 0.917 1.00 1.00 O ATOM 1771 CB PRO A 113 6.565 0.416 -1.867 1.00 1.00 C ATOM 1772 CG PRO A 113 7.243 1.738 -1.653 1.00 1.00 C ATOM 1773 CD PRO A 113 6.858 2.229 -0.285 1.00 1.00 C ATOM 0 HA PRO A 113 4.428 0.339 -1.376 1.00 1.00 H new ATOM 0 HB2 PRO A 113 7.256 -0.409 -1.693 1.00 1.00 H new ATOM 0 HB3 PRO A 113 6.209 0.323 -2.893 1.00 1.00 H new ATOM 0 HG2 PRO A 113 8.325 1.631 -1.731 1.00 1.00 H new ATOM 0 HG3 PRO A 113 6.938 2.453 -2.417 1.00 1.00 H new ATOM 0 HD2 PRO A 113 7.596 1.947 0.466 1.00 1.00 H new ATOM 0 HD3 PRO A 113 6.774 3.315 -0.257 1.00 1.00 H new ATOM 1781 N ALA A 114 4.678 -1.876 -0.292 1.00 1.00 N ATOM 1782 CA ALA A 114 4.720 -3.126 0.520 1.00 1.00 C ATOM 1783 C ALA A 114 6.165 -3.452 0.908 1.00 1.00 C ATOM 1784 O ALA A 114 7.090 -2.817 0.442 1.00 1.00 O ATOM 1785 CB ALA A 114 4.152 -4.212 -0.395 1.00 1.00 C ATOM 0 H ALA A 114 3.997 -1.873 -1.051 1.00 1.00 H new ATOM 0 HA ALA A 114 4.153 -3.038 1.447 1.00 1.00 H new ATOM 0 HB1 ALA A 114 4.149 -5.166 0.131 1.00 1.00 H new ATOM 0 HB2 ALA A 114 3.133 -3.951 -0.680 1.00 1.00 H new ATOM 0 HB3 ALA A 114 4.769 -4.293 -1.290 1.00 1.00 H new ATOM 1791 N PRO A 115 6.308 -4.437 1.752 1.00 1.00 N ATOM 1792 CA PRO A 115 7.655 -4.854 2.210 1.00 1.00 C ATOM 1793 C PRO A 115 8.575 -5.092 1.008 1.00 1.00 C ATOM 1794 O PRO A 115 8.175 -5.655 0.010 1.00 1.00 O ATOM 1795 CB PRO A 115 7.399 -6.156 2.966 1.00 1.00 C ATOM 1796 CG PRO A 115 5.952 -6.115 3.352 1.00 1.00 C ATOM 1797 CD PRO A 115 5.240 -5.244 2.349 1.00 1.00 C ATOM 0 HA PRO A 115 8.147 -4.103 2.828 1.00 1.00 H new ATOM 0 HB2 PRO A 115 7.614 -7.022 2.340 1.00 1.00 H new ATOM 0 HB3 PRO A 115 8.038 -6.232 3.846 1.00 1.00 H new ATOM 0 HG2 PRO A 115 5.528 -7.119 3.357 1.00 1.00 H new ATOM 0 HG3 PRO A 115 5.835 -5.714 4.359 1.00 1.00 H new ATOM 0 HD2 PRO A 115 4.725 -5.842 1.597 1.00 1.00 H new ATOM 0 HD3 PRO A 115 4.488 -4.617 2.828 1.00 1.00 H new ATOM 1805 N LYS A 116 9.804 -4.662 1.096 1.00 1.00 N ATOM 1806 CA LYS A 116 10.748 -4.858 -0.043 1.00 1.00 C ATOM 1807 C LYS A 116 10.385 -6.122 -0.826 1.00 1.00 C ATOM 1808 O LYS A 116 10.255 -7.194 -0.269 1.00 1.00 O ATOM 1809 CB LYS A 116 12.125 -5.007 0.606 1.00 1.00 C ATOM 1810 CG LYS A 116 12.848 -3.658 0.589 1.00 1.00 C ATOM 1811 CD LYS A 116 13.676 -3.507 1.866 1.00 1.00 C ATOM 1812 CE LYS A 116 12.907 -4.101 3.048 1.00 1.00 C ATOM 1813 NZ LYS A 116 13.395 -3.354 4.239 1.00 1.00 N ATOM 0 H LYS A 116 10.196 -4.183 1.907 1.00 1.00 H new ATOM 0 HA LYS A 116 10.716 -4.029 -0.750 1.00 1.00 H new ATOM 0 HB2 LYS A 116 12.019 -5.361 1.631 1.00 1.00 H new ATOM 0 HB3 LYS A 116 12.712 -5.753 0.070 1.00 1.00 H new ATOM 0 HG2 LYS A 116 13.494 -3.591 -0.286 1.00 1.00 H new ATOM 0 HG3 LYS A 116 12.124 -2.846 0.514 1.00 1.00 H new ATOM 0 HD2 LYS A 116 14.635 -4.012 1.752 1.00 1.00 H new ATOM 0 HD3 LYS A 116 13.890 -2.454 2.050 1.00 1.00 H new ATOM 0 HE2 LYS A 116 11.831 -3.980 2.920 1.00 1.00 H new ATOM 0 HE3 LYS A 116 13.098 -5.170 3.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 12.913 -3.705 5.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 14.421 -3.493 4.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 13.193 -2.341 4.120 1.00 1.00 H new ATOM 1826 N HIS A 117 10.226 -6.004 -2.116 1.00 1.00 N ATOM 1827 CA HIS A 117 9.877 -7.197 -2.940 1.00 1.00 C ATOM 1828 C HIS A 117 11.120 -7.714 -3.668 1.00 1.00 C ATOM 1829 O HIS A 117 12.043 -6.974 -3.941 1.00 1.00 O ATOM 1830 CB HIS A 117 8.836 -6.697 -3.942 1.00 1.00 C ATOM 1831 CG HIS A 117 8.553 -5.242 -3.690 1.00 1.00 C ATOM 1832 ND1 HIS A 117 7.503 -4.822 -2.889 1.00 1.00 N ATOM 1833 CD2 HIS A 117 9.172 -4.097 -4.128 1.00 1.00 C ATOM 1834 CE1 HIS A 117 7.521 -3.476 -2.869 1.00 1.00 C ATOM 1835 NE2 HIS A 117 8.519 -2.983 -3.609 1.00 1.00 N ATOM 0 H HIS A 117 10.323 -5.132 -2.636 1.00 1.00 H new ATOM 0 HA HIS A 117 9.496 -8.021 -2.336 1.00 1.00 H new ATOM 0 HB2 HIS A 117 9.200 -6.836 -4.960 1.00 1.00 H new ATOM 0 HB3 HIS A 117 7.918 -7.278 -3.849 1.00 1.00 H new ATOM 0 HD2 HIS A 117 10.035 -4.066 -4.777 1.00 1.00 H new ATOM 0 HE1 HIS A 117 6.815 -2.869 -2.322 1.00 1.00 H new ATOM 0 HE2 HIS A 117 8.752 -2.002 -3.761 1.00 1.00 H new ATOM 1843 N HIS A 118 11.153 -8.980 -3.981 1.00 1.00 N ATOM 1844 CA HIS A 118 12.341 -9.540 -4.688 1.00 1.00 C ATOM 1845 C HIS A 118 12.701 -8.666 -5.893 1.00 1.00 C ATOM 1846 O HIS A 118 11.915 -8.493 -6.804 1.00 1.00 O ATOM 1847 CB HIS A 118 11.911 -10.933 -5.147 1.00 1.00 C ATOM 1848 CG HIS A 118 12.880 -11.443 -6.178 1.00 1.00 C ATOM 1849 ND1 HIS A 118 12.532 -12.416 -7.102 1.00 1.00 N ATOM 1850 CD2 HIS A 118 14.188 -11.124 -6.443 1.00 1.00 C ATOM 1851 CE1 HIS A 118 13.611 -12.646 -7.874 1.00 1.00 C ATOM 1852 NE2 HIS A 118 14.648 -11.885 -7.514 1.00 1.00 N ATOM 0 H HIS A 118 10.411 -9.650 -3.779 1.00 1.00 H new ATOM 0 HA HIS A 118 13.222 -9.576 -4.047 1.00 1.00 H new ATOM 0 HB2 HIS A 118 11.877 -11.614 -4.296 1.00 1.00 H new ATOM 0 HB3 HIS A 118 10.905 -10.895 -5.565 1.00 1.00 H new ATOM 0 HD2 HIS A 118 14.772 -10.394 -5.903 1.00 1.00 H new ATOM 0 HE1 HIS A 118 13.635 -13.359 -8.685 1.00 1.00 H new ATOM 0 HE2 HIS A 118 15.577 -11.866 -7.934 1.00 1.00 H new ATOM 1860 N HIS A 119 13.883 -8.113 -5.904 1.00 1.00 N ATOM 1861 CA HIS A 119 14.294 -7.249 -7.048 1.00 1.00 C ATOM 1862 C HIS A 119 15.229 -8.020 -7.984 1.00 1.00 C ATOM 1863 O HIS A 119 16.186 -8.632 -7.555 1.00 1.00 O ATOM 1864 CB HIS A 119 15.028 -6.070 -6.409 1.00 1.00 C ATOM 1865 CG HIS A 119 15.760 -6.539 -5.182 1.00 1.00 C ATOM 1866 ND1 HIS A 119 16.983 -7.187 -5.254 1.00 1.00 N ATOM 1867 CD2 HIS A 119 15.455 -6.461 -3.846 1.00 1.00 C ATOM 1868 CE1 HIS A 119 17.365 -7.473 -3.996 1.00 1.00 C ATOM 1869 NE2 HIS A 119 16.471 -7.052 -3.099 1.00 1.00 N ATOM 0 H HIS A 119 14.583 -8.222 -5.170 1.00 1.00 H new ATOM 0 HA HIS A 119 13.443 -6.924 -7.647 1.00 1.00 H new ATOM 0 HB2 HIS A 119 15.731 -5.637 -7.121 1.00 1.00 H new ATOM 0 HB3 HIS A 119 14.318 -5.286 -6.144 1.00 1.00 H new ATOM 0 HD1 HIS A 119 17.499 -7.407 -6.106 1.00 1.00 H new ATOM 0 HD2 HIS A 119 14.563 -6.010 -3.437 1.00 1.00 H new ATOM 0 HE1 HIS A 119 18.284 -7.982 -3.743 1.00 1.00 H new ATOM 1877 N ALA A 120 14.958 -7.993 -9.261 1.00 1.00 N ATOM 1878 CA ALA A 120 15.832 -8.724 -10.223 1.00 1.00 C ATOM 1879 C ALA A 120 17.108 -7.920 -10.491 1.00 1.00 C ATOM 1880 O ALA A 120 17.109 -6.706 -10.445 1.00 1.00 O ATOM 1881 CB ALA A 120 14.998 -8.848 -11.499 1.00 1.00 C ATOM 0 H ALA A 120 14.171 -7.497 -9.679 1.00 1.00 H new ATOM 0 HA ALA A 120 16.143 -9.697 -9.844 1.00 1.00 H new ATOM 0 HB1 ALA A 120 15.573 -9.377 -12.259 1.00 1.00 H new ATOM 0 HB2 ALA A 120 14.084 -9.402 -11.284 1.00 1.00 H new ATOM 0 HB3 ALA A 120 14.742 -7.854 -11.864 1.00 1.00 H new ATOM 1887 N SER A 121 18.193 -8.587 -10.770 1.00 1.00 N ATOM 1888 CA SER A 121 19.467 -7.859 -11.039 1.00 1.00 C ATOM 1889 C SER A 121 19.742 -7.813 -12.545 1.00 1.00 C ATOM 1890 O SER A 121 20.301 -8.730 -13.113 1.00 1.00 O ATOM 1891 CB SER A 121 20.545 -8.670 -10.322 1.00 1.00 C ATOM 1892 OG SER A 121 21.048 -7.915 -9.227 1.00 1.00 O ATOM 0 H SER A 121 18.254 -9.604 -10.824 1.00 1.00 H new ATOM 0 HA SER A 121 19.434 -6.827 -10.691 1.00 1.00 H new ATOM 0 HB2 SER A 121 20.131 -9.614 -9.968 1.00 1.00 H new ATOM 0 HB3 SER A 121 21.353 -8.914 -11.012 1.00 1.00 H new ATOM 0 HG SER A 121 21.739 -8.432 -8.763 1.00 1.00 H new ATOM 1898 N LYS A 122 19.355 -6.749 -13.195 1.00 1.00 N ATOM 1899 CA LYS A 122 19.595 -6.643 -14.663 1.00 1.00 C ATOM 1900 C LYS A 122 20.672 -5.592 -14.947 1.00 1.00 C ATOM 1901 O LYS A 122 20.716 -4.550 -14.322 1.00 1.00 O ATOM 1902 CB LYS A 122 18.253 -6.210 -15.254 1.00 1.00 C ATOM 1903 CG LYS A 122 17.846 -7.180 -16.365 1.00 1.00 C ATOM 1904 CD LYS A 122 17.095 -6.417 -17.459 1.00 1.00 C ATOM 1905 CE LYS A 122 16.268 -7.400 -18.291 1.00 1.00 C ATOM 1906 NZ LYS A 122 15.047 -6.641 -18.679 1.00 1.00 N ATOM 0 H LYS A 122 18.883 -5.949 -12.773 1.00 1.00 H new ATOM 0 HA LYS A 122 19.945 -7.581 -15.094 1.00 1.00 H new ATOM 0 HB2 LYS A 122 17.490 -6.192 -14.476 1.00 1.00 H new ATOM 0 HB3 LYS A 122 18.328 -5.198 -15.651 1.00 1.00 H new ATOM 0 HG2 LYS A 122 18.730 -7.661 -16.784 1.00 1.00 H new ATOM 0 HG3 LYS A 122 17.215 -7.970 -15.959 1.00 1.00 H new ATOM 0 HD2 LYS A 122 16.444 -5.665 -17.012 1.00 1.00 H new ATOM 0 HD3 LYS A 122 17.801 -5.887 -18.098 1.00 1.00 H new ATOM 0 HE2 LYS A 122 16.820 -7.736 -19.169 1.00 1.00 H new ATOM 0 HE3 LYS A 122 16.014 -8.289 -17.714 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 14.428 -7.249 -19.253 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 14.539 -6.340 -17.823 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 15.320 -5.804 -19.232 1.00 1.00 H new ATOM 1919 N VAL A 123 21.540 -5.856 -15.884 1.00 1.00 N ATOM 1920 CA VAL A 123 22.611 -4.869 -16.206 1.00 1.00 C ATOM 1921 C VAL A 123 22.006 -3.625 -16.859 1.00 1.00 C ATOM 1922 O VAL A 123 21.549 -3.662 -17.984 1.00 1.00 O ATOM 1923 CB VAL A 123 23.536 -5.593 -17.184 1.00 1.00 C ATOM 1924 CG1 VAL A 123 23.373 -7.105 -17.021 1.00 1.00 C ATOM 1925 CG2 VAL A 123 23.173 -5.194 -18.617 1.00 1.00 C ATOM 0 H VAL A 123 21.555 -6.711 -16.440 1.00 1.00 H new ATOM 0 HA VAL A 123 23.143 -4.532 -15.316 1.00 1.00 H new ATOM 0 HB VAL A 123 24.570 -5.316 -16.978 1.00 1.00 H new ATOM 0 HG11 VAL A 123 24.033 -7.619 -17.719 1.00 1.00 H new ATOM 0 HG12 VAL A 123 23.630 -7.391 -16.001 1.00 1.00 H new ATOM 0 HG13 VAL A 123 22.340 -7.384 -17.227 1.00 1.00 H new ATOM 0 HG21 VAL A 123 23.832 -5.709 -19.316 1.00 1.00 H new ATOM 0 HG22 VAL A 123 22.139 -5.471 -18.821 1.00 1.00 H new ATOM 0 HG23 VAL A 123 23.290 -4.117 -18.735 1.00 1.00 H new ATOM 1935 N ASP A 124 21.998 -2.522 -16.161 1.00 1.00 N ATOM 1936 CA ASP A 124 21.420 -1.275 -16.742 1.00 1.00 C ATOM 1937 C ASP A 124 22.089 -0.958 -18.082 1.00 1.00 C ATOM 1938 O ASP A 124 22.319 0.211 -18.345 1.00 1.00 O ATOM 1939 CB ASP A 124 21.725 -0.183 -15.717 1.00 1.00 C ATOM 1940 CG ASP A 124 20.444 0.190 -14.970 1.00 1.00 C ATOM 1941 OD1 ASP A 124 19.653 0.935 -15.524 1.00 1.00 O ATOM 1942 OD2 ASP A 124 20.274 -0.279 -13.856 1.00 1.00 O ATOM 0 H ASP A 124 22.366 -2.430 -15.214 1.00 1.00 H new ATOM 0 HA ASP A 124 20.351 -1.365 -16.935 1.00 1.00 H new ATOM 0 HB2 ASP A 124 22.480 -0.532 -15.013 1.00 1.00 H new ATOM 0 HB3 ASP A 124 22.136 0.695 -16.216 1.00 1.00 H new TER 1947 ASP A 124