USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 792 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 18 HIS : no HD1:sc= -0.359 X(o=-2.1,f=-2.3) USER MOD Set 1.2: A 22 HIS : no HD1:sc= -1.68 K(o=-2.1,f=-4.5!) USER MOD Set 1.3: A 81 SER OG : rot -140:sc= -0.018 USER MOD Set 2.1: A 28 LYS NZ :NH3+ -121:sc= -0.131 (180deg=-0.579) USER MOD Set 2.2: A 29 ASN : amide:sc= -4.74! C(o=-13!,f=-9.2!) USER MOD Set 2.3: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.4: A 74 GLN : amide:sc= -8.4! C(o=-13!,f=-7.9!) USER MOD Set 3.1: A 58 GLN : amide:sc= -3.85! K(o=-5.7!,f=-1.9) USER MOD Set 3.2: A 61 MET CE :methyl -146:sc= -1.82! (180deg=-0.274) USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.337 K(o=-0.39,f=-1.3) USER MOD Set 4.2: A 48 MET CE :methyl -150:sc= -0.0545 (180deg=0) USER MOD Set 5.1: A 20 ASN : amide:sc= -2.43 K(o=-7.6,f=-6.3) USER MOD Set 5.2: A 30 MET CE :methyl -145:sc= -1.26 (180deg=0) USER MOD Set 5.3: A 31 ASN : amide:sc= -3.95! K(o=-7.6!,f=-3.1) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -4.03! C(o=-4!,f=-3.3!) USER MOD Single : A 13 GLN : amide:sc= -0.503 K(o=-0.5,f=-2.4) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= -0.0534 (180deg=-0.345) USER MOD Single : A 21 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.019) USER MOD Single : A 24 GLN : amide:sc= -3.75! C(o=-3.7!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.00173 X(o=-0.0017,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.44) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 39 ASN : amide:sc= -3.74! C(o=-3.7!,f=-2.3!) USER MOD Single : A 49 GLN : amide:sc= -3.25! K(o=-3.2!,f=-1.2) USER MOD Single : A 53 SER OG : rot 180:sc= -0.575 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 143:sc= -0.865 (180deg=-2.47) USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= -0.102 (180deg=-0.758) USER MOD Single : A 65 GLN : amide:sc= -2.26! K(o=-2.3!,f=-0.64) USER MOD Single : A 66 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.97!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.0017 X(o=-0.0017,f=-0.0017) USER MOD Single : A 83 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.53) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 86 HIS : no HD1:sc= -0.805 K(o=-0.81,f=-2.1!) USER MOD Single : A 88 ASN : amide:sc= -4.12! C(o=-4.1!,f=-3.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.0709 X(o=-0.071,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.054) USER MOD Single : A 101 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 1.517 -14.180 -11.321 1.00 0.00 N ATOM 42 CA GLY A 3 2.364 -13.030 -11.743 1.00 0.00 C ATOM 43 C GLY A 3 1.571 -11.728 -11.612 1.00 0.00 C ATOM 44 O GLY A 3 2.074 -10.655 -11.877 1.00 0.00 O ATOM 0 HA2 GLY A 3 3.263 -12.983 -11.128 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.690 -13.166 -12.774 1.00 0.00 H new ATOM 48 N LYS A 4 0.333 -11.812 -11.207 1.00 0.00 N ATOM 49 CA LYS A 4 -0.484 -10.575 -11.062 1.00 0.00 C ATOM 50 C LYS A 4 0.085 -9.714 -9.935 1.00 0.00 C ATOM 51 O LYS A 4 -0.039 -8.505 -9.945 1.00 0.00 O ATOM 52 CB LYS A 4 -1.930 -10.950 -10.735 1.00 0.00 C ATOM 53 CG LYS A 4 -2.368 -12.113 -11.627 1.00 0.00 C ATOM 54 CD LYS A 4 -3.890 -12.095 -11.780 1.00 0.00 C ATOM 55 CE LYS A 4 -4.397 -13.516 -12.039 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.717 -13.459 -12.731 1.00 0.00 N ATOM 0 H LYS A 4 -0.146 -12.681 -10.971 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.457 -10.014 -11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.016 -11.230 -9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.584 -10.092 -10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.893 -12.034 -12.605 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.047 -13.060 -11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.351 -11.692 -10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.175 -11.441 -12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.679 -14.063 -12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.492 -14.056 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.059 -14.425 -12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.401 -12.952 -12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.613 -12.959 -13.637 1.00 0.00 H new ATOM 70 N LEU A 5 0.711 -10.316 -8.960 1.00 0.00 N ATOM 71 CA LEU A 5 1.278 -9.506 -7.848 1.00 0.00 C ATOM 72 C LEU A 5 1.952 -8.273 -8.441 1.00 0.00 C ATOM 73 O LEU A 5 1.662 -7.154 -8.069 1.00 0.00 O ATOM 74 CB LEU A 5 2.321 -10.313 -7.068 1.00 0.00 C ATOM 75 CG LEU A 5 1.701 -11.554 -6.404 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.183 -11.405 -6.241 1.00 0.00 C ATOM 77 CD2 LEU A 5 2.004 -12.789 -7.253 1.00 0.00 C ATOM 0 H LEU A 5 0.853 -11.323 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 5 0.475 -9.221 -7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.120 -10.622 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.774 -9.680 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 5 2.139 -11.663 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.222 -12.300 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.033 -10.537 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.277 -11.272 -7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.565 -13.670 -6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.580 -12.659 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.083 -12.920 -7.333 1.00 0.00 H new ATOM 89 N ASN A 6 2.849 -8.468 -9.370 1.00 0.00 N ATOM 90 CA ASN A 6 3.534 -7.302 -9.987 1.00 0.00 C ATOM 91 C ASN A 6 2.502 -6.194 -10.206 1.00 0.00 C ATOM 92 O ASN A 6 2.754 -5.037 -9.935 1.00 0.00 O ATOM 93 CB ASN A 6 4.171 -7.729 -11.321 1.00 0.00 C ATOM 94 CG ASN A 6 3.561 -6.944 -12.488 1.00 0.00 C ATOM 95 OD1 ASN A 6 3.868 -5.784 -12.682 1.00 0.00 O ATOM 96 ND2 ASN A 6 2.705 -7.533 -13.276 1.00 0.00 N ATOM 0 H ASN A 6 3.134 -9.381 -9.725 1.00 0.00 H new ATOM 0 HA ASN A 6 4.325 -6.932 -9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.247 -7.561 -11.286 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.020 -8.797 -11.476 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.293 -7.020 -14.056 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.448 -8.506 -13.113 1.00 0.00 H new ATOM 103 N ASP A 7 1.334 -6.540 -10.679 1.00 0.00 N ATOM 104 CA ASP A 7 0.290 -5.501 -10.889 1.00 0.00 C ATOM 105 C ASP A 7 -0.042 -4.882 -9.534 1.00 0.00 C ATOM 106 O ASP A 7 -0.302 -3.701 -9.421 1.00 0.00 O ATOM 107 CB ASP A 7 -0.965 -6.140 -11.485 1.00 0.00 C ATOM 108 CG ASP A 7 -0.642 -6.707 -12.869 1.00 0.00 C ATOM 109 OD1 ASP A 7 0.531 -6.861 -13.164 1.00 0.00 O ATOM 110 OD2 ASP A 7 -1.574 -6.976 -13.609 1.00 0.00 O ATOM 0 H ASP A 7 1.061 -7.491 -10.927 1.00 0.00 H new ATOM 0 HA ASP A 7 0.652 -4.737 -11.577 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.328 -6.933 -10.831 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.762 -5.400 -11.561 1.00 0.00 H new ATOM 115 N LEU A 8 -0.014 -5.677 -8.500 1.00 0.00 N ATOM 116 CA LEU A 8 -0.306 -5.147 -7.142 1.00 0.00 C ATOM 117 C LEU A 8 0.938 -4.427 -6.627 1.00 0.00 C ATOM 118 O LEU A 8 0.869 -3.345 -6.078 1.00 0.00 O ATOM 119 CB LEU A 8 -0.628 -6.311 -6.198 1.00 0.00 C ATOM 120 CG LEU A 8 -2.133 -6.395 -5.949 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.636 -5.061 -5.399 1.00 0.00 C ATOM 122 CD2 LEU A 8 -2.852 -6.720 -7.262 1.00 0.00 C ATOM 0 H LEU A 8 0.199 -6.674 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.155 -4.464 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.272 -7.246 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.104 -6.176 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.338 -7.182 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.710 -5.122 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.126 -4.838 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.432 -4.270 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.926 -6.780 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.648 -5.936 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.494 -7.675 -7.646 1.00 0.00 H new ATOM 134 N LEU A 9 2.075 -5.037 -6.802 1.00 0.00 N ATOM 135 CA LEU A 9 3.345 -4.422 -6.331 1.00 0.00 C ATOM 136 C LEU A 9 3.562 -3.080 -7.030 1.00 0.00 C ATOM 137 O LEU A 9 3.680 -2.049 -6.396 1.00 0.00 O ATOM 138 CB LEU A 9 4.506 -5.359 -6.666 1.00 0.00 C ATOM 139 CG LEU A 9 5.685 -5.060 -5.743 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.814 -6.047 -6.025 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.185 -3.637 -5.994 1.00 0.00 C ATOM 0 H LEU A 9 2.180 -5.944 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 9 3.293 -4.261 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.194 -6.397 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.803 -5.229 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 9 5.364 -5.156 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.656 -5.834 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.462 -7.063 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.132 -5.950 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.026 -3.425 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.504 -3.541 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.381 -2.928 -5.795 1.00 0.00 H new ATOM 153 N GLU A 10 3.628 -3.083 -8.332 1.00 0.00 N ATOM 154 CA GLU A 10 3.851 -1.807 -9.066 1.00 0.00 C ATOM 155 C GLU A 10 2.702 -0.839 -8.778 1.00 0.00 C ATOM 156 O GLU A 10 2.912 0.277 -8.349 1.00 0.00 O ATOM 157 CB GLU A 10 3.918 -2.086 -10.570 1.00 0.00 C ATOM 158 CG GLU A 10 4.636 -0.930 -11.272 1.00 0.00 C ATOM 159 CD GLU A 10 6.142 -1.203 -11.302 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.517 -2.359 -11.201 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.894 -0.249 -11.423 1.00 0.00 O ATOM 0 H GLU A 10 3.537 -3.912 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 10 4.790 -1.362 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.446 -3.022 -10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.912 -2.203 -10.974 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.257 -0.816 -12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.436 0.006 -10.750 1.00 0.00 H new ATOM 168 N ASP A 11 1.489 -1.255 -9.014 1.00 0.00 N ATOM 169 CA ASP A 11 0.330 -0.354 -8.758 1.00 0.00 C ATOM 170 C ASP A 11 0.375 0.142 -7.311 1.00 0.00 C ATOM 171 O ASP A 11 -0.137 1.197 -6.991 1.00 0.00 O ATOM 172 CB ASP A 11 -0.973 -1.120 -8.996 1.00 0.00 C ATOM 173 CG ASP A 11 -2.158 -0.161 -8.869 1.00 0.00 C ATOM 174 OD1 ASP A 11 -2.003 0.857 -8.216 1.00 0.00 O ATOM 175 OD2 ASP A 11 -3.200 -0.462 -9.427 1.00 0.00 O ATOM 0 H ASP A 11 1.250 -2.179 -9.373 1.00 0.00 H new ATOM 0 HA ASP A 11 0.379 0.500 -9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.964 -1.575 -9.986 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.068 -1.931 -8.273 1.00 0.00 H new ATOM 180 N LEU A 12 0.982 -0.609 -6.436 1.00 0.00 N ATOM 181 CA LEU A 12 1.059 -0.185 -5.009 1.00 0.00 C ATOM 182 C LEU A 12 2.202 0.818 -4.836 1.00 0.00 C ATOM 183 O LEU A 12 1.983 1.984 -4.573 1.00 0.00 O ATOM 184 CB LEU A 12 1.314 -1.417 -4.134 1.00 0.00 C ATOM 185 CG LEU A 12 1.902 -0.993 -2.786 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.981 0.031 -2.120 1.00 0.00 C ATOM 187 CD2 LEU A 12 2.029 -2.221 -1.881 1.00 0.00 C ATOM 0 H LEU A 12 1.430 -1.501 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 12 0.122 0.286 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.382 -1.961 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.999 -2.097 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 12 2.884 -0.547 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.403 0.330 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.885 0.906 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.002 -0.413 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.448 -1.923 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.045 -2.663 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.686 -2.953 -2.351 1.00 0.00 H new ATOM 199 N GLN A 13 3.420 0.376 -4.981 1.00 0.00 N ATOM 200 CA GLN A 13 4.570 1.309 -4.824 1.00 0.00 C ATOM 201 C GLN A 13 4.302 2.579 -5.636 1.00 0.00 C ATOM 202 O GLN A 13 4.866 3.624 -5.379 1.00 0.00 O ATOM 203 CB GLN A 13 5.849 0.632 -5.327 1.00 0.00 C ATOM 204 CG GLN A 13 6.020 0.902 -6.824 1.00 0.00 C ATOM 205 CD GLN A 13 7.136 0.017 -7.380 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.033 -0.490 -8.479 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.206 -0.192 -6.663 1.00 0.00 N ATOM 0 H GLN A 13 3.668 -0.589 -5.201 1.00 0.00 H new ATOM 0 HA GLN A 13 4.693 1.570 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.712 1.010 -4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.800 -0.441 -5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.086 0.700 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.259 1.953 -6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.293 0.234 -5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.956 -0.781 -7.025 1.00 0.00 H new ATOM 216 N GLU A 14 3.440 2.494 -6.613 1.00 0.00 N ATOM 217 CA GLU A 14 3.128 3.694 -7.439 1.00 0.00 C ATOM 218 C GLU A 14 2.307 4.674 -6.604 1.00 0.00 C ATOM 219 O GLU A 14 2.741 5.771 -6.314 1.00 0.00 O ATOM 220 CB GLU A 14 2.318 3.278 -8.664 1.00 0.00 C ATOM 221 CG GLU A 14 3.262 2.800 -9.769 1.00 0.00 C ATOM 222 CD GLU A 14 2.440 2.331 -10.971 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.713 3.142 -11.519 1.00 0.00 O ATOM 224 OE2 GLU A 14 2.550 1.168 -11.322 1.00 0.00 O ATOM 0 H GLU A 14 2.939 1.645 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 14 4.056 4.165 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.621 2.483 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.722 4.118 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.932 3.607 -10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.887 1.986 -9.402 1.00 0.00 H new ATOM 231 N VAL A 15 1.125 4.287 -6.205 1.00 0.00 N ATOM 232 CA VAL A 15 0.294 5.197 -5.381 1.00 0.00 C ATOM 233 C VAL A 15 1.194 5.823 -4.319 1.00 0.00 C ATOM 234 O VAL A 15 0.949 6.909 -3.837 1.00 0.00 O ATOM 235 CB VAL A 15 -0.838 4.394 -4.726 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.954 3.031 -5.410 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.549 4.185 -3.234 1.00 0.00 C ATOM 0 H VAL A 15 0.704 3.382 -6.416 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.151 5.982 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.771 4.947 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.757 2.459 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.173 3.172 -6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.014 2.489 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.360 3.614 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.387 3.639 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.468 5.153 -2.740 1.00 0.00 H new ATOM 247 N LEU A 16 2.246 5.138 -3.966 1.00 0.00 N ATOM 248 CA LEU A 16 3.185 5.679 -2.950 1.00 0.00 C ATOM 249 C LEU A 16 4.077 6.722 -3.621 1.00 0.00 C ATOM 250 O LEU A 16 4.468 7.703 -3.020 1.00 0.00 O ATOM 251 CB LEU A 16 4.038 4.530 -2.392 1.00 0.00 C ATOM 252 CG LEU A 16 5.422 5.038 -1.971 1.00 0.00 C ATOM 253 CD1 LEU A 16 5.274 6.145 -0.924 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.220 3.878 -1.371 1.00 0.00 C ATOM 0 H LEU A 16 2.495 4.223 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 16 2.637 6.143 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.535 4.079 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.145 3.750 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 16 5.942 5.436 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.261 6.501 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.701 6.971 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.754 5.752 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.206 4.232 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.693 3.486 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.330 3.089 -2.115 1.00 0.00 H new ATOM 266 N LYS A 17 4.396 6.519 -4.872 1.00 0.00 N ATOM 267 CA LYS A 17 5.255 7.501 -5.589 1.00 0.00 C ATOM 268 C LYS A 17 4.459 8.784 -5.826 1.00 0.00 C ATOM 269 O LYS A 17 4.839 9.853 -5.391 1.00 0.00 O ATOM 270 CB LYS A 17 5.688 6.914 -6.933 1.00 0.00 C ATOM 271 CG LYS A 17 6.797 5.886 -6.706 1.00 0.00 C ATOM 272 CD LYS A 17 7.111 5.173 -8.022 1.00 0.00 C ATOM 273 CE LYS A 17 8.619 5.192 -8.267 1.00 0.00 C ATOM 274 NZ LYS A 17 9.063 6.591 -8.519 1.00 0.00 N ATOM 0 H LYS A 17 4.098 5.716 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 17 6.138 7.722 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.838 6.444 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.042 7.707 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.691 6.379 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.487 5.162 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.751 4.145 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.592 5.663 -8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.144 4.782 -7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.868 4.561 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.919 6.583 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.308 7.112 -9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.273 7.057 -7.613 1.00 0.00 H new ATOM 288 N HIS A 18 3.352 8.683 -6.507 1.00 0.00 N ATOM 289 CA HIS A 18 2.522 9.891 -6.768 1.00 0.00 C ATOM 290 C HIS A 18 2.037 10.467 -5.437 1.00 0.00 C ATOM 291 O HIS A 18 1.372 11.483 -5.393 1.00 0.00 O ATOM 292 CB HIS A 18 1.319 9.500 -7.621 1.00 0.00 C ATOM 293 CG HIS A 18 0.612 10.740 -8.091 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.298 11.846 -8.572 1.00 0.00 N ATOM 295 CD2 HIS A 18 -0.721 11.065 -8.160 1.00 0.00 C ATOM 296 CE1 HIS A 18 0.385 12.776 -8.908 1.00 0.00 C ATOM 297 NE2 HIS A 18 -0.858 12.349 -8.676 1.00 0.00 N ATOM 0 H HIS A 18 2.986 7.814 -6.895 1.00 0.00 H new ATOM 0 HA HIS A 18 3.115 10.639 -7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.644 8.908 -8.476 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.637 8.877 -7.042 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.536 10.423 -7.860 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.628 13.747 -9.315 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.726 12.858 -8.842 1.00 0.00 H new ATOM 306 N VAL A 19 2.361 9.818 -4.353 1.00 0.00 N ATOM 307 CA VAL A 19 1.920 10.316 -3.022 1.00 0.00 C ATOM 308 C VAL A 19 3.086 11.026 -2.328 1.00 0.00 C ATOM 309 O VAL A 19 2.905 11.726 -1.352 1.00 0.00 O ATOM 310 CB VAL A 19 1.454 9.127 -2.176 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.692 9.418 -0.696 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.037 8.892 -2.409 1.00 0.00 C ATOM 0 H VAL A 19 2.914 8.961 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 19 1.098 11.022 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 19 2.017 8.240 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.358 8.569 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.755 9.586 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.132 10.307 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.370 8.046 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.595 9.783 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.211 8.679 -3.464 1.00 0.00 H new ATOM 322 N ASN A 20 4.281 10.851 -2.823 1.00 0.00 N ATOM 323 CA ASN A 20 5.456 11.516 -2.189 1.00 0.00 C ATOM 324 C ASN A 20 5.554 12.963 -2.680 1.00 0.00 C ATOM 325 O ASN A 20 5.990 13.842 -1.965 1.00 0.00 O ATOM 326 CB ASN A 20 6.735 10.762 -2.568 1.00 0.00 C ATOM 327 CG ASN A 20 7.442 10.281 -1.300 1.00 0.00 C ATOM 328 OD1 ASN A 20 8.631 10.477 -1.142 1.00 0.00 O ATOM 329 ND2 ASN A 20 6.758 9.654 -0.383 1.00 0.00 N ATOM 0 H ASN A 20 4.495 10.277 -3.638 1.00 0.00 H new ATOM 0 HA ASN A 20 5.335 11.508 -1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.493 9.912 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.396 11.412 -3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.221 9.329 0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.760 9.489 -0.515 1.00 0.00 H new ATOM 336 N GLN A 21 5.156 13.215 -3.895 1.00 0.00 N ATOM 337 CA GLN A 21 5.230 14.604 -4.430 1.00 0.00 C ATOM 338 C GLN A 21 3.945 15.357 -4.081 1.00 0.00 C ATOM 339 O GLN A 21 3.903 16.571 -4.098 1.00 0.00 O ATOM 340 CB GLN A 21 5.392 14.555 -5.951 1.00 0.00 C ATOM 341 CG GLN A 21 6.863 14.767 -6.317 1.00 0.00 C ATOM 342 CD GLN A 21 7.178 16.263 -6.306 1.00 0.00 C ATOM 343 OE1 GLN A 21 8.077 16.702 -5.616 1.00 0.00 O ATOM 344 NE2 GLN A 21 6.473 17.072 -7.049 1.00 0.00 N ATOM 0 H GLN A 21 4.783 12.520 -4.541 1.00 0.00 H new ATOM 0 HA GLN A 21 6.083 15.118 -3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.046 13.594 -6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.776 15.324 -6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.505 14.244 -5.608 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.068 14.348 -7.302 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.718 16.705 -7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.677 18.071 -7.050 1.00 0.00 H new ATOM 353 N HIS A 22 2.895 14.648 -3.768 1.00 0.00 N ATOM 354 CA HIS A 22 1.614 15.327 -3.424 1.00 0.00 C ATOM 355 C HIS A 22 1.296 15.112 -1.943 1.00 0.00 C ATOM 356 O HIS A 22 0.154 15.172 -1.531 1.00 0.00 O ATOM 357 CB HIS A 22 0.485 14.739 -4.274 1.00 0.00 C ATOM 358 CG HIS A 22 0.341 15.536 -5.542 1.00 0.00 C ATOM 359 ND1 HIS A 22 -0.447 16.676 -5.615 1.00 0.00 N ATOM 360 CD2 HIS A 22 0.876 15.368 -6.796 1.00 0.00 C ATOM 361 CE1 HIS A 22 -0.365 17.147 -6.874 1.00 0.00 C ATOM 362 NE2 HIS A 22 0.428 16.386 -7.631 1.00 0.00 N ATOM 0 H HIS A 22 2.869 13.629 -3.736 1.00 0.00 H new ATOM 0 HA HIS A 22 1.707 16.395 -3.622 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.699 13.697 -4.510 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.451 14.754 -3.715 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.541 14.569 -7.088 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.877 18.030 -7.227 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.657 16.522 -8.615 1.00 0.00 H new ATOM 371 N TRP A 23 2.291 14.862 -1.136 1.00 0.00 N ATOM 372 CA TRP A 23 2.023 14.648 0.314 1.00 0.00 C ATOM 373 C TRP A 23 1.827 15.993 1.002 1.00 0.00 C ATOM 374 O TRP A 23 2.472 16.971 0.679 1.00 0.00 O ATOM 375 CB TRP A 23 3.197 13.928 0.969 1.00 0.00 C ATOM 376 CG TRP A 23 2.778 13.462 2.328 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.571 14.261 3.400 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.502 12.108 2.772 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.188 13.474 4.473 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.133 12.139 4.134 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.540 10.870 2.125 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.812 10.974 4.831 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.218 9.692 2.817 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.855 9.744 4.170 1.00 0.00 C ATOM 0 H TRP A 23 3.270 14.797 -1.415 1.00 0.00 H new ATOM 0 HA TRP A 23 1.124 14.041 0.415 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.508 13.080 0.358 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.054 14.597 1.047 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.686 15.335 3.416 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.973 13.838 5.401 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.820 10.819 1.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.533 11.023 5.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.250 8.742 2.305 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.609 8.836 4.700 1.00 0.00 H new ATOM 395 N GLN A 24 0.944 16.046 1.955 1.00 0.00 N ATOM 396 CA GLN A 24 0.710 17.329 2.676 1.00 0.00 C ATOM 397 C GLN A 24 0.215 17.040 4.093 1.00 0.00 C ATOM 398 O GLN A 24 0.169 15.905 4.526 1.00 0.00 O ATOM 399 CB GLN A 24 -0.330 18.159 1.919 1.00 0.00 C ATOM 400 CG GLN A 24 0.378 19.294 1.177 1.00 0.00 C ATOM 401 CD GLN A 24 -0.632 20.051 0.312 1.00 0.00 C ATOM 402 OE1 GLN A 24 -1.758 20.265 0.716 1.00 0.00 O ATOM 403 NE2 GLN A 24 -0.273 20.469 -0.872 1.00 0.00 N ATOM 0 H GLN A 24 0.374 15.260 2.267 1.00 0.00 H new ATOM 0 HA GLN A 24 1.643 17.889 2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.872 17.529 1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.065 18.565 2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.843 19.974 1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.177 18.892 0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.672 20.290 -1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.938 20.975 -1.457 1.00 0.00 H new ATOM 412 N GLY A 25 -0.155 18.059 4.820 1.00 0.00 N ATOM 413 CA GLY A 25 -0.648 17.846 6.210 1.00 0.00 C ATOM 414 C GLY A 25 0.509 17.387 7.097 1.00 0.00 C ATOM 415 O GLY A 25 0.313 16.736 8.104 1.00 0.00 O ATOM 0 H GLY A 25 -0.137 19.031 4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.076 18.769 6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.442 17.100 6.215 1.00 0.00 H new ATOM 419 N GLY A 26 1.716 17.723 6.733 1.00 0.00 N ATOM 420 CA GLY A 26 2.886 17.308 7.558 1.00 0.00 C ATOM 421 C GLY A 26 3.789 16.382 6.740 1.00 0.00 C ATOM 422 O GLY A 26 3.491 15.221 6.544 1.00 0.00 O ATOM 0 H GLY A 26 1.943 18.267 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.446 18.186 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.546 16.798 8.459 1.00 0.00 H new ATOM 426 N GLN A 27 4.894 16.887 6.262 1.00 0.00 N ATOM 427 CA GLN A 27 5.816 16.037 5.458 1.00 0.00 C ATOM 428 C GLN A 27 6.668 15.180 6.397 1.00 0.00 C ATOM 429 O GLN A 27 7.729 14.711 6.034 1.00 0.00 O ATOM 430 CB GLN A 27 6.728 16.930 4.614 1.00 0.00 C ATOM 431 CG GLN A 27 7.597 16.058 3.705 1.00 0.00 C ATOM 432 CD GLN A 27 7.865 16.795 2.391 1.00 0.00 C ATOM 433 OE1 GLN A 27 8.923 17.361 2.204 1.00 0.00 O ATOM 434 NE2 GLN A 27 6.945 16.812 1.465 1.00 0.00 N ATOM 0 H GLN A 27 5.198 17.852 6.394 1.00 0.00 H new ATOM 0 HA GLN A 27 5.234 15.389 4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.129 17.616 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.358 17.540 5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.539 15.824 4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.097 15.110 3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.056 16.337 1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.115 17.300 0.586 1.00 0.00 H new ATOM 443 N LYS A 28 6.214 14.974 7.604 1.00 0.00 N ATOM 444 CA LYS A 28 6.999 14.150 8.568 1.00 0.00 C ATOM 445 C LYS A 28 6.500 12.704 8.532 1.00 0.00 C ATOM 446 O LYS A 28 7.267 11.770 8.658 1.00 0.00 O ATOM 447 CB LYS A 28 6.830 14.718 9.980 1.00 0.00 C ATOM 448 CG LYS A 28 5.359 14.632 10.395 1.00 0.00 C ATOM 449 CD LYS A 28 5.200 15.156 11.823 1.00 0.00 C ATOM 450 CE LYS A 28 3.797 14.830 12.336 1.00 0.00 C ATOM 451 NZ LYS A 28 3.664 13.358 12.518 1.00 0.00 N ATOM 0 H LYS A 28 5.333 15.341 7.964 1.00 0.00 H new ATOM 0 HA LYS A 28 8.053 14.174 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.450 14.162 10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.167 15.754 10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.743 15.216 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.013 13.600 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.950 14.704 12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.366 16.233 11.846 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.616 15.342 13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.048 15.189 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.885 13.004 11.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.551 12.892 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.463 13.148 13.517 1.00 0.00 H new ATOM 465 N ASN A 29 5.222 12.510 8.359 1.00 0.00 N ATOM 466 CA ASN A 29 4.681 11.125 8.313 1.00 0.00 C ATOM 467 C ASN A 29 5.139 10.445 7.023 1.00 0.00 C ATOM 468 O ASN A 29 5.274 9.239 6.959 1.00 0.00 O ATOM 469 CB ASN A 29 3.152 11.173 8.351 1.00 0.00 C ATOM 470 CG ASN A 29 2.679 12.592 8.036 1.00 0.00 C ATOM 471 OD1 ASN A 29 2.513 12.948 6.886 1.00 0.00 O ATOM 472 ND2 ASN A 29 2.451 13.424 9.015 1.00 0.00 N ATOM 0 H ASN A 29 4.530 13.251 8.248 1.00 0.00 H new ATOM 0 HA ASN A 29 5.047 10.561 9.171 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.737 10.471 7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.792 10.868 9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.134 14.372 8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.590 13.126 9.980 1.00 0.00 H new ATOM 479 N MET A 30 5.382 11.209 5.993 1.00 0.00 N ATOM 480 CA MET A 30 5.834 10.607 4.708 1.00 0.00 C ATOM 481 C MET A 30 7.079 9.751 4.954 1.00 0.00 C ATOM 482 O MET A 30 7.335 8.795 4.251 1.00 0.00 O ATOM 483 CB MET A 30 6.167 11.723 3.715 1.00 0.00 C ATOM 484 CG MET A 30 6.393 11.121 2.326 1.00 0.00 C ATOM 485 SD MET A 30 7.577 12.142 1.412 1.00 0.00 S ATOM 486 CE MET A 30 9.056 11.171 1.787 1.00 0.00 C ATOM 0 H MET A 30 5.287 12.225 5.987 1.00 0.00 H new ATOM 0 HA MET A 30 5.041 9.981 4.299 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.354 12.448 3.681 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.059 12.259 4.040 1.00 0.00 H new ATOM 0 HG2 MET A 30 6.769 10.102 2.416 1.00 0.00 H new ATOM 0 HG3 MET A 30 5.449 11.066 1.784 1.00 0.00 H new ATOM 0 HE1 MET A 30 9.911 11.838 1.894 1.00 0.00 H new ATOM 0 HE2 MET A 30 8.905 10.622 2.716 1.00 0.00 H new ATOM 0 HE3 MET A 30 9.244 10.467 0.976 1.00 0.00 H new ATOM 496 N ASN A 31 7.852 10.085 5.952 1.00 0.00 N ATOM 497 CA ASN A 31 9.077 9.287 6.244 1.00 0.00 C ATOM 498 C ASN A 31 8.703 8.082 7.110 1.00 0.00 C ATOM 499 O ASN A 31 9.152 6.977 6.878 1.00 0.00 O ATOM 500 CB ASN A 31 10.089 10.157 6.993 1.00 0.00 C ATOM 501 CG ASN A 31 10.548 11.305 6.092 1.00 0.00 C ATOM 502 OD1 ASN A 31 11.530 11.962 6.377 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.875 11.578 5.008 1.00 0.00 N ATOM 0 H ASN A 31 7.688 10.875 6.577 1.00 0.00 H new ATOM 0 HA ASN A 31 9.518 8.943 5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.639 10.554 7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.946 9.556 7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.173 12.342 4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.051 11.028 4.767 1.00 0.00 H new ATOM 510 N LYS A 32 7.883 8.284 8.105 1.00 0.00 N ATOM 511 CA LYS A 32 7.485 7.148 8.983 1.00 0.00 C ATOM 512 C LYS A 32 6.658 6.147 8.174 1.00 0.00 C ATOM 513 O LYS A 32 6.850 4.950 8.267 1.00 0.00 O ATOM 514 CB LYS A 32 6.650 7.671 10.154 1.00 0.00 C ATOM 515 CG LYS A 32 7.577 8.233 11.232 1.00 0.00 C ATOM 516 CD LYS A 32 6.765 8.555 12.488 1.00 0.00 C ATOM 517 CE LYS A 32 6.334 10.022 12.454 1.00 0.00 C ATOM 518 NZ LYS A 32 5.185 10.224 13.381 1.00 0.00 N ATOM 0 H LYS A 32 7.472 9.186 8.347 1.00 0.00 H new ATOM 0 HA LYS A 32 8.379 6.657 9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.965 8.446 9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.040 6.867 10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.359 7.510 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.073 9.132 10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.889 7.909 12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.361 8.361 13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.166 10.663 12.744 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.051 10.306 11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.892 11.222 13.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.390 9.622 13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.470 9.969 14.348 1.00 0.00 H new ATOM 532 N VAL A 33 5.740 6.625 7.378 1.00 0.00 N ATOM 533 CA VAL A 33 4.904 5.697 6.566 1.00 0.00 C ATOM 534 C VAL A 33 5.762 5.066 5.468 1.00 0.00 C ATOM 535 O VAL A 33 5.645 3.894 5.173 1.00 0.00 O ATOM 536 CB VAL A 33 3.748 6.471 5.931 1.00 0.00 C ATOM 537 CG1 VAL A 33 2.835 7.018 7.030 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.305 7.634 5.106 1.00 0.00 C ATOM 0 H VAL A 33 5.534 7.616 7.255 1.00 0.00 H new ATOM 0 HA VAL A 33 4.504 4.913 7.209 1.00 0.00 H new ATOM 0 HB VAL A 33 3.178 5.805 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.011 7.570 6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.438 6.191 7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.405 7.684 7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.481 8.186 4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.875 8.300 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.956 7.246 4.323 1.00 0.00 H new ATOM 548 N ASP A 34 6.626 5.832 4.860 1.00 0.00 N ATOM 549 CA ASP A 34 7.489 5.272 3.784 1.00 0.00 C ATOM 550 C ASP A 34 8.002 3.895 4.211 1.00 0.00 C ATOM 551 O ASP A 34 8.167 3.004 3.403 1.00 0.00 O ATOM 552 CB ASP A 34 8.674 6.207 3.539 1.00 0.00 C ATOM 553 CG ASP A 34 9.748 5.472 2.735 1.00 0.00 C ATOM 554 OD1 ASP A 34 10.304 4.520 3.257 1.00 0.00 O ATOM 555 OD2 ASP A 34 9.996 5.873 1.609 1.00 0.00 O ATOM 0 H ASP A 34 6.771 6.821 5.062 1.00 0.00 H new ATOM 0 HA ASP A 34 6.910 5.176 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.345 7.095 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.085 6.547 4.490 1.00 0.00 H new ATOM 560 N HIS A 35 8.252 3.714 5.479 1.00 0.00 N ATOM 561 CA HIS A 35 8.751 2.395 5.959 1.00 0.00 C ATOM 562 C HIS A 35 7.580 1.416 6.051 1.00 0.00 C ATOM 563 O HIS A 35 7.676 0.275 5.643 1.00 0.00 O ATOM 564 CB HIS A 35 9.386 2.557 7.343 1.00 0.00 C ATOM 565 CG HIS A 35 10.815 3.000 7.195 1.00 0.00 C ATOM 566 ND1 HIS A 35 11.257 4.236 7.645 1.00 0.00 N ATOM 567 CD2 HIS A 35 11.915 2.382 6.651 1.00 0.00 C ATOM 568 CE1 HIS A 35 12.571 4.323 7.366 1.00 0.00 C ATOM 569 NE2 HIS A 35 13.018 3.220 6.762 1.00 0.00 N ATOM 0 H HIS A 35 8.132 4.423 6.203 1.00 0.00 H new ATOM 0 HA HIS A 35 9.497 2.014 5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.827 3.288 7.927 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.342 1.613 7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.921 1.398 6.206 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.187 5.179 7.602 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.970 3.032 6.448 1.00 0.00 H new ATOM 578 N HIS A 36 6.472 1.853 6.585 1.00 0.00 N ATOM 579 CA HIS A 36 5.294 0.950 6.703 1.00 0.00 C ATOM 580 C HIS A 36 5.027 0.283 5.354 1.00 0.00 C ATOM 581 O HIS A 36 4.847 -0.915 5.269 1.00 0.00 O ATOM 582 CB HIS A 36 4.069 1.763 7.127 1.00 0.00 C ATOM 583 CG HIS A 36 4.006 1.817 8.627 1.00 0.00 C ATOM 584 ND1 HIS A 36 5.115 1.563 9.422 1.00 0.00 N ATOM 585 CD2 HIS A 36 2.977 2.093 9.494 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.731 1.689 10.705 1.00 0.00 C ATOM 587 NE2 HIS A 36 3.440 2.011 10.802 1.00 0.00 N ATOM 0 H HIS A 36 6.332 2.797 6.945 1.00 0.00 H new ATOM 0 HA HIS A 36 5.495 0.183 7.451 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.127 2.771 6.717 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.161 1.309 6.729 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.965 2.336 9.204 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.386 1.547 11.552 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.905 2.165 11.657 1.00 0.00 H new ATOM 596 N LEU A 37 5.001 1.048 4.298 1.00 0.00 N ATOM 597 CA LEU A 37 4.748 0.451 2.957 1.00 0.00 C ATOM 598 C LEU A 37 5.976 -0.347 2.515 1.00 0.00 C ATOM 599 O LEU A 37 5.878 -1.503 2.155 1.00 0.00 O ATOM 600 CB LEU A 37 4.468 1.564 1.948 1.00 0.00 C ATOM 601 CG LEU A 37 2.959 1.782 1.842 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.678 3.256 1.564 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.397 0.936 0.699 1.00 0.00 C ATOM 0 H LEU A 37 5.144 2.058 4.305 1.00 0.00 H new ATOM 0 HA LEU A 37 3.885 -0.213 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.959 2.486 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.878 1.299 0.974 1.00 0.00 H new ATOM 0 HG LEU A 37 2.485 1.488 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.602 3.413 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.077 3.862 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.154 3.547 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.321 1.093 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.871 1.229 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.597 -0.118 0.894 1.00 0.00 H new ATOM 615 N GLN A 38 7.134 0.257 2.542 1.00 0.00 N ATOM 616 CA GLN A 38 8.360 -0.479 2.125 1.00 0.00 C ATOM 617 C GLN A 38 8.312 -1.892 2.706 1.00 0.00 C ATOM 618 O GLN A 38 8.643 -2.857 2.047 1.00 0.00 O ATOM 619 CB GLN A 38 9.603 0.248 2.648 1.00 0.00 C ATOM 620 CG GLN A 38 10.401 0.804 1.468 1.00 0.00 C ATOM 621 CD GLN A 38 11.795 1.218 1.943 1.00 0.00 C ATOM 622 OE1 GLN A 38 11.963 1.653 3.066 1.00 0.00 O ATOM 623 NE2 GLN A 38 12.810 1.102 1.131 1.00 0.00 N ATOM 0 H GLN A 38 7.283 1.223 2.833 1.00 0.00 H new ATOM 0 HA GLN A 38 8.407 -0.527 1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.310 1.057 3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.221 -0.437 3.229 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.481 0.052 0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.883 1.661 1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.670 0.737 0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.743 1.376 1.439 1.00 0.00 H new ATOM 632 N ASN A 39 7.897 -2.019 3.935 1.00 0.00 N ATOM 633 CA ASN A 39 7.819 -3.368 4.557 1.00 0.00 C ATOM 634 C ASN A 39 6.658 -4.141 3.931 1.00 0.00 C ATOM 635 O ASN A 39 6.633 -5.356 3.935 1.00 0.00 O ATOM 636 CB ASN A 39 7.588 -3.223 6.063 1.00 0.00 C ATOM 637 CG ASN A 39 8.448 -2.080 6.606 1.00 0.00 C ATOM 638 OD1 ASN A 39 8.098 -1.454 7.587 1.00 0.00 O ATOM 639 ND2 ASN A 39 9.568 -1.779 6.006 1.00 0.00 N ATOM 0 H ASN A 39 7.609 -1.246 4.535 1.00 0.00 H new ATOM 0 HA ASN A 39 8.751 -3.907 4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.535 -3.026 6.262 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.839 -4.154 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.148 -1.019 6.361 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.863 -2.304 5.183 1.00 0.00 H new ATOM 646 N VAL A 40 5.693 -3.446 3.388 1.00 0.00 N ATOM 647 CA VAL A 40 4.536 -4.142 2.759 1.00 0.00 C ATOM 648 C VAL A 40 4.867 -4.465 1.301 1.00 0.00 C ATOM 649 O VAL A 40 4.816 -5.605 0.885 1.00 0.00 O ATOM 650 CB VAL A 40 3.298 -3.245 2.811 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.076 -4.037 2.336 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.067 -2.780 4.248 1.00 0.00 C ATOM 0 H VAL A 40 5.658 -2.427 3.354 1.00 0.00 H new ATOM 0 HA VAL A 40 4.335 -5.065 3.303 1.00 0.00 H new ATOM 0 HB VAL A 40 3.449 -2.380 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.193 -3.399 2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.237 -4.376 1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.927 -4.900 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.185 -2.141 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.915 -3.647 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.936 -2.220 4.593 1.00 0.00 H new ATOM 662 N ILE A 41 5.207 -3.474 0.519 1.00 0.00 N ATOM 663 CA ILE A 41 5.538 -3.744 -0.908 1.00 0.00 C ATOM 664 C ILE A 41 6.414 -4.994 -0.986 1.00 0.00 C ATOM 665 O ILE A 41 6.224 -5.845 -1.832 1.00 0.00 O ATOM 666 CB ILE A 41 6.289 -2.555 -1.508 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.602 -1.250 -1.090 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.279 -2.676 -3.034 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.756 -0.201 -2.196 1.00 0.00 C ATOM 0 H ILE A 41 5.269 -2.497 0.805 1.00 0.00 H new ATOM 0 HA ILE A 41 4.617 -3.898 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 41 7.318 -2.549 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.545 -1.432 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.039 -0.880 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.813 -1.831 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.767 -3.605 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.249 -2.678 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.265 0.723 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.815 -0.009 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.298 -0.570 -3.114 1.00 0.00 H new ATOM 681 N GLU A 42 7.368 -5.118 -0.101 1.00 0.00 N ATOM 682 CA GLU A 42 8.242 -6.322 -0.123 1.00 0.00 C ATOM 683 C GLU A 42 7.387 -7.556 0.161 1.00 0.00 C ATOM 684 O GLU A 42 7.632 -8.626 -0.359 1.00 0.00 O ATOM 685 CB GLU A 42 9.329 -6.193 0.946 1.00 0.00 C ATOM 686 CG GLU A 42 10.408 -7.250 0.703 1.00 0.00 C ATOM 687 CD GLU A 42 11.042 -7.026 -0.671 1.00 0.00 C ATOM 688 OE1 GLU A 42 11.909 -6.174 -0.770 1.00 0.00 O ATOM 689 OE2 GLU A 42 10.647 -7.710 -1.602 1.00 0.00 O ATOM 0 H GLU A 42 7.577 -4.440 0.632 1.00 0.00 H new ATOM 0 HA GLU A 42 8.716 -6.415 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.768 -5.196 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.896 -6.321 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.170 -7.193 1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.973 -8.248 0.756 1.00 0.00 H new ATOM 696 N ASP A 43 6.374 -7.411 0.975 1.00 0.00 N ATOM 697 CA ASP A 43 5.495 -8.573 1.279 1.00 0.00 C ATOM 698 C ASP A 43 4.897 -9.088 -0.030 1.00 0.00 C ATOM 699 O ASP A 43 4.945 -10.265 -0.329 1.00 0.00 O ATOM 700 CB ASP A 43 4.370 -8.131 2.217 1.00 0.00 C ATOM 701 CG ASP A 43 3.533 -9.346 2.619 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.976 -10.088 3.479 1.00 0.00 O ATOM 703 OD2 ASP A 43 2.461 -9.513 2.059 1.00 0.00 O ATOM 0 H ASP A 43 6.120 -6.540 1.440 1.00 0.00 H new ATOM 0 HA ASP A 43 6.072 -9.362 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.788 -7.655 3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.741 -7.390 1.724 1.00 0.00 H new ATOM 708 N ILE A 44 4.349 -8.206 -0.819 1.00 0.00 N ATOM 709 CA ILE A 44 3.764 -8.628 -2.120 1.00 0.00 C ATOM 710 C ILE A 44 4.859 -9.280 -2.960 1.00 0.00 C ATOM 711 O ILE A 44 4.701 -10.367 -3.479 1.00 0.00 O ATOM 712 CB ILE A 44 3.237 -7.400 -2.856 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.012 -6.854 -2.126 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.852 -7.784 -4.286 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.075 -5.325 -2.100 1.00 0.00 C ATOM 0 H ILE A 44 4.281 -7.208 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 44 2.949 -9.332 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 44 4.013 -6.635 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.101 -7.183 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.977 -7.245 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.476 -6.905 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.728 -8.170 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.078 -8.551 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.201 -4.934 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.979 -5.007 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.090 -4.944 -3.121 1.00 0.00 H new ATOM 727 N HIS A 45 5.978 -8.622 -3.081 1.00 0.00 N ATOM 728 CA HIS A 45 7.099 -9.194 -3.870 1.00 0.00 C ATOM 729 C HIS A 45 7.361 -10.616 -3.377 1.00 0.00 C ATOM 730 O HIS A 45 7.743 -11.491 -4.129 1.00 0.00 O ATOM 731 CB HIS A 45 8.350 -8.343 -3.641 1.00 0.00 C ATOM 732 CG HIS A 45 9.151 -8.249 -4.911 1.00 0.00 C ATOM 733 ND1 HIS A 45 9.150 -9.255 -5.866 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.995 -7.276 -5.389 1.00 0.00 C ATOM 735 CE1 HIS A 45 9.970 -8.867 -6.862 1.00 0.00 C ATOM 736 NE2 HIS A 45 10.508 -7.672 -6.617 1.00 0.00 N ATOM 0 H HIS A 45 6.163 -7.709 -2.665 1.00 0.00 H new ATOM 0 HA HIS A 45 6.851 -9.205 -4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.065 -7.345 -3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.958 -8.782 -2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 45 10.224 -6.347 -4.887 1.00 0.00 H new ATOM 0 HE1 HIS A 45 10.167 -9.451 -7.749 1.00 0.00 H new ATOM 0 HE2 HIS A 45 11.160 -7.156 -7.208 1.00 0.00 H new ATOM 745 N ASP A 46 7.158 -10.846 -2.109 1.00 0.00 N ATOM 746 CA ASP A 46 7.391 -12.203 -1.543 1.00 0.00 C ATOM 747 C ASP A 46 6.131 -13.062 -1.690 1.00 0.00 C ATOM 748 O ASP A 46 6.137 -14.237 -1.377 1.00 0.00 O ATOM 749 CB ASP A 46 7.751 -12.078 -0.061 1.00 0.00 C ATOM 750 CG ASP A 46 8.977 -11.176 0.090 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.583 -10.859 -0.920 1.00 0.00 O ATOM 752 OD2 ASP A 46 9.289 -10.818 1.214 1.00 0.00 O ATOM 0 H ASP A 46 6.839 -10.148 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 46 8.209 -12.679 -2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.910 -11.663 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.956 -13.063 0.359 1.00 0.00 H new ATOM 757 N PHE A 47 5.047 -12.497 -2.153 1.00 0.00 N ATOM 758 CA PHE A 47 3.803 -13.306 -2.299 1.00 0.00 C ATOM 759 C PHE A 47 3.923 -14.204 -3.531 1.00 0.00 C ATOM 760 O PHE A 47 3.248 -15.208 -3.648 1.00 0.00 O ATOM 761 CB PHE A 47 2.595 -12.378 -2.451 1.00 0.00 C ATOM 762 CG PHE A 47 1.330 -13.204 -2.511 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.909 -13.762 -3.725 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.579 -13.415 -1.349 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.262 -14.530 -3.776 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.590 -14.182 -1.399 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.011 -14.739 -2.612 1.00 0.00 C ATOM 0 H PHE A 47 4.970 -11.519 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 47 3.667 -13.924 -1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.549 -11.683 -1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.694 -11.779 -3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.487 -13.600 -4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.902 -12.985 -0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.586 -14.960 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.168 -14.344 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.914 -15.330 -2.650 1.00 0.00 H new ATOM 777 N MET A 48 4.785 -13.857 -4.446 1.00 0.00 N ATOM 778 CA MET A 48 4.954 -14.699 -5.664 1.00 0.00 C ATOM 779 C MET A 48 5.897 -15.859 -5.341 1.00 0.00 C ATOM 780 O MET A 48 5.788 -16.936 -5.893 1.00 0.00 O ATOM 781 CB MET A 48 5.548 -13.856 -6.796 1.00 0.00 C ATOM 782 CG MET A 48 5.553 -12.383 -6.384 1.00 0.00 C ATOM 783 SD MET A 48 5.789 -11.349 -7.851 1.00 0.00 S ATOM 784 CE MET A 48 7.591 -11.492 -7.939 1.00 0.00 C ATOM 0 H MET A 48 5.379 -13.029 -4.404 1.00 0.00 H new ATOM 0 HA MET A 48 3.985 -15.087 -5.978 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.563 -14.187 -7.016 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.965 -13.988 -7.707 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.614 -12.128 -5.893 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.350 -12.198 -5.663 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.007 -10.585 -8.378 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.995 -11.627 -6.936 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.858 -12.350 -8.556 1.00 0.00 H new ATOM 794 N GLN A 49 6.820 -15.644 -4.446 1.00 0.00 N ATOM 795 CA GLN A 49 7.771 -16.728 -4.078 1.00 0.00 C ATOM 796 C GLN A 49 7.021 -17.824 -3.319 1.00 0.00 C ATOM 797 O GLN A 49 6.963 -18.960 -3.746 1.00 0.00 O ATOM 798 CB GLN A 49 8.872 -16.152 -3.184 1.00 0.00 C ATOM 799 CG GLN A 49 9.374 -14.835 -3.781 1.00 0.00 C ATOM 800 CD GLN A 49 10.212 -14.082 -2.743 1.00 0.00 C ATOM 801 OE1 GLN A 49 11.029 -13.254 -3.093 1.00 0.00 O ATOM 802 NE2 GLN A 49 10.043 -14.336 -1.475 1.00 0.00 N ATOM 0 H GLN A 49 6.957 -14.762 -3.953 1.00 0.00 H new ATOM 0 HA GLN A 49 8.215 -17.148 -4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.488 -15.985 -2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.695 -16.862 -3.098 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.972 -15.033 -4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.529 -14.222 -4.094 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.357 -15.031 -1.181 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.597 -13.839 -0.777 1.00 0.00 H new ATOM 811 N GLY A 50 6.442 -17.491 -2.198 1.00 0.00 N ATOM 812 CA GLY A 50 5.692 -18.512 -1.413 1.00 0.00 C ATOM 813 C GLY A 50 4.637 -19.163 -2.309 1.00 0.00 C ATOM 814 O GLY A 50 4.099 -20.206 -1.996 1.00 0.00 O ATOM 0 H GLY A 50 6.456 -16.556 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.377 -19.268 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.216 -18.046 -0.550 1.00 0.00 H new ATOM 818 N GLY A 51 4.343 -18.554 -3.425 1.00 0.00 N ATOM 819 CA GLY A 51 3.328 -19.135 -4.349 1.00 0.00 C ATOM 820 C GLY A 51 1.956 -19.156 -3.672 1.00 0.00 C ATOM 821 O GLY A 51 1.023 -19.758 -4.163 1.00 0.00 O ATOM 0 H GLY A 51 4.762 -17.678 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.281 -18.548 -5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.619 -20.147 -4.632 1.00 0.00 H new ATOM 825 N GLY A 52 1.824 -18.507 -2.548 1.00 0.00 N ATOM 826 CA GLY A 52 0.509 -18.497 -1.846 1.00 0.00 C ATOM 827 C GLY A 52 0.745 -18.499 -0.338 1.00 0.00 C ATOM 828 O GLY A 52 0.428 -19.450 0.349 1.00 0.00 O ATOM 0 H GLY A 52 2.568 -17.984 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.064 -17.616 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.078 -19.369 -2.135 1.00 0.00 H new ATOM 832 N SER A 53 1.307 -17.445 0.184 1.00 0.00 N ATOM 833 CA SER A 53 1.571 -17.391 1.646 1.00 0.00 C ATOM 834 C SER A 53 0.463 -16.600 2.341 1.00 0.00 C ATOM 835 O SER A 53 0.723 -15.652 3.056 1.00 0.00 O ATOM 836 CB SER A 53 2.915 -16.708 1.893 1.00 0.00 C ATOM 837 OG SER A 53 3.719 -16.828 0.729 1.00 0.00 O ATOM 0 H SER A 53 1.595 -16.619 -0.340 1.00 0.00 H new ATOM 0 HA SER A 53 1.596 -18.404 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.763 -15.657 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.418 -17.165 2.746 1.00 0.00 H new ATOM 0 HG SER A 53 4.582 -16.390 0.881 1.00 0.00 H new ATOM 843 N GLY A 54 -0.768 -16.980 2.144 1.00 0.00 N ATOM 844 CA GLY A 54 -1.882 -16.247 2.806 1.00 0.00 C ATOM 845 C GLY A 54 -1.536 -16.038 4.280 1.00 0.00 C ATOM 846 O GLY A 54 -2.226 -15.343 5.000 1.00 0.00 O ATOM 0 H GLY A 54 -1.050 -17.764 1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.043 -15.286 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.810 -16.811 2.714 1.00 0.00 H new ATOM 850 N GLY A 55 -0.468 -16.636 4.736 1.00 0.00 N ATOM 851 CA GLY A 55 -0.071 -16.477 6.162 1.00 0.00 C ATOM 852 C GLY A 55 0.876 -15.284 6.298 1.00 0.00 C ATOM 853 O GLY A 55 0.877 -14.593 7.297 1.00 0.00 O ATOM 0 H GLY A 55 0.147 -17.229 4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.955 -16.326 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.417 -17.384 6.518 1.00 0.00 H new ATOM 857 N LYS A 56 1.683 -15.033 5.302 1.00 0.00 N ATOM 858 CA LYS A 56 2.624 -13.880 5.384 1.00 0.00 C ATOM 859 C LYS A 56 1.894 -12.599 4.978 1.00 0.00 C ATOM 860 O LYS A 56 2.244 -11.514 5.399 1.00 0.00 O ATOM 861 CB LYS A 56 3.811 -14.111 4.447 1.00 0.00 C ATOM 862 CG LYS A 56 4.410 -15.494 4.716 1.00 0.00 C ATOM 863 CD LYS A 56 5.444 -15.390 5.841 1.00 0.00 C ATOM 864 CE LYS A 56 5.386 -16.646 6.712 1.00 0.00 C ATOM 865 NZ LYS A 56 4.508 -16.395 7.890 1.00 0.00 N ATOM 0 H LYS A 56 1.731 -15.574 4.439 1.00 0.00 H new ATOM 0 HA LYS A 56 2.989 -13.785 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.488 -14.038 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.566 -13.340 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.623 -16.195 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.878 -15.882 3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.443 -15.273 5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.248 -14.506 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.003 -17.486 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.388 -16.918 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.469 -17.249 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.892 -15.605 8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.550 -16.155 7.564 1.00 0.00 H new ATOM 879 N LEU A 57 0.879 -12.715 4.168 1.00 0.00 N ATOM 880 CA LEU A 57 0.129 -11.500 3.745 1.00 0.00 C ATOM 881 C LEU A 57 -0.612 -10.922 4.948 1.00 0.00 C ATOM 882 O LEU A 57 -0.373 -9.806 5.359 1.00 0.00 O ATOM 883 CB LEU A 57 -0.881 -11.865 2.659 1.00 0.00 C ATOM 884 CG LEU A 57 -1.360 -10.587 1.971 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.252 -10.948 0.784 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.158 -9.738 2.962 1.00 0.00 C ATOM 0 H LEU A 57 0.537 -13.595 3.782 1.00 0.00 H new ATOM 0 HA LEU A 57 0.830 -10.763 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.424 -12.535 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.727 -12.397 3.095 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.496 -10.023 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.593 -10.036 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.686 -11.551 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.114 -11.515 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.498 -8.827 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.020 -10.304 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.525 -9.477 3.810 1.00 0.00 H new ATOM 898 N GLN A 58 -1.508 -11.673 5.524 1.00 0.00 N ATOM 899 CA GLN A 58 -2.248 -11.156 6.702 1.00 0.00 C ATOM 900 C GLN A 58 -1.250 -10.511 7.666 1.00 0.00 C ATOM 901 O GLN A 58 -1.622 -9.860 8.622 1.00 0.00 O ATOM 902 CB GLN A 58 -2.978 -12.306 7.397 1.00 0.00 C ATOM 903 CG GLN A 58 -4.347 -12.505 6.739 1.00 0.00 C ATOM 904 CD GLN A 58 -4.245 -12.220 5.238 1.00 0.00 C ATOM 905 OE1 GLN A 58 -3.828 -13.069 4.474 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.611 -11.054 4.779 1.00 0.00 N ATOM 0 H GLN A 58 -1.757 -12.617 5.230 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.982 -10.416 6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.390 -13.221 7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.100 -12.087 8.458 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.695 -13.525 6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.081 -11.841 7.196 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.961 -10.341 5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.547 -10.856 3.780 1.00 0.00 H new ATOM 915 N GLU A 59 0.022 -10.680 7.410 1.00 0.00 N ATOM 916 CA GLU A 59 1.054 -10.072 8.295 1.00 0.00 C ATOM 917 C GLU A 59 1.180 -8.581 7.969 1.00 0.00 C ATOM 918 O GLU A 59 0.985 -7.735 8.818 1.00 0.00 O ATOM 919 CB GLU A 59 2.398 -10.765 8.065 1.00 0.00 C ATOM 920 CG GLU A 59 3.139 -10.900 9.397 1.00 0.00 C ATOM 921 CD GLU A 59 2.653 -12.154 10.130 1.00 0.00 C ATOM 922 OE1 GLU A 59 1.649 -12.708 9.714 1.00 0.00 O ATOM 923 OE2 GLU A 59 3.295 -12.537 11.094 1.00 0.00 O ATOM 0 H GLU A 59 0.389 -11.215 6.623 1.00 0.00 H new ATOM 0 HA GLU A 59 0.762 -10.194 9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.241 -11.749 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.999 -10.191 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.213 -10.962 9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.966 -10.017 10.012 1.00 0.00 H new ATOM 930 N MET A 60 1.496 -8.247 6.743 1.00 0.00 N ATOM 931 CA MET A 60 1.615 -6.807 6.385 1.00 0.00 C ATOM 932 C MET A 60 0.229 -6.169 6.467 1.00 0.00 C ATOM 933 O MET A 60 0.092 -4.973 6.630 1.00 0.00 O ATOM 934 CB MET A 60 2.171 -6.664 4.965 1.00 0.00 C ATOM 935 CG MET A 60 1.280 -7.430 3.985 1.00 0.00 C ATOM 936 SD MET A 60 -0.174 -6.430 3.582 1.00 0.00 S ATOM 937 CE MET A 60 -0.336 -6.957 1.858 1.00 0.00 C ATOM 0 H MET A 60 1.675 -8.904 5.984 1.00 0.00 H new ATOM 0 HA MET A 60 2.296 -6.309 7.075 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.215 -5.611 4.685 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.190 -7.048 4.922 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.837 -7.664 3.077 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.972 -8.379 4.423 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.392 -7.041 1.601 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.139 -6.223 1.207 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.147 -7.925 1.727 1.00 0.00 H new ATOM 947 N MET A 61 -0.802 -6.964 6.368 1.00 0.00 N ATOM 948 CA MET A 61 -2.181 -6.411 6.455 1.00 0.00 C ATOM 949 C MET A 61 -2.204 -5.314 7.520 1.00 0.00 C ATOM 950 O MET A 61 -2.771 -4.258 7.325 1.00 0.00 O ATOM 951 CB MET A 61 -3.154 -7.532 6.838 1.00 0.00 C ATOM 952 CG MET A 61 -4.568 -6.972 7.033 1.00 0.00 C ATOM 953 SD MET A 61 -5.366 -7.820 8.419 1.00 0.00 S ATOM 954 CE MET A 61 -6.142 -9.143 7.459 1.00 0.00 C ATOM 0 H MET A 61 -0.747 -7.973 6.231 1.00 0.00 H new ATOM 0 HA MET A 61 -2.481 -5.994 5.494 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.163 -8.295 6.060 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.818 -8.016 7.755 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.523 -5.900 7.226 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.153 -7.108 6.124 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.099 -9.407 7.910 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.305 -8.803 6.436 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.491 -10.017 7.452 1.00 0.00 H new ATOM 964 N LYS A 62 -1.585 -5.555 8.643 1.00 0.00 N ATOM 965 CA LYS A 62 -1.567 -4.520 9.713 1.00 0.00 C ATOM 966 C LYS A 62 -0.756 -3.319 9.228 1.00 0.00 C ATOM 967 O LYS A 62 -1.124 -2.180 9.438 1.00 0.00 O ATOM 968 CB LYS A 62 -0.921 -5.096 10.975 1.00 0.00 C ATOM 969 CG LYS A 62 -1.712 -6.319 11.442 1.00 0.00 C ATOM 970 CD LYS A 62 -1.291 -6.687 12.867 1.00 0.00 C ATOM 971 CE LYS A 62 -2.301 -7.670 13.462 1.00 0.00 C ATOM 972 NZ LYS A 62 -3.613 -6.986 13.644 1.00 0.00 N ATOM 0 H LYS A 62 -1.093 -6.420 8.865 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.587 -4.210 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.113 -5.375 10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.899 -4.342 11.762 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.781 -6.108 11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.533 -7.159 10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.296 -7.132 12.860 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.235 -5.790 13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.416 -8.532 12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.939 -8.045 14.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.137 -7.440 14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.453 -5.984 13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.165 -7.055 12.766 1.00 0.00 H new ATOM 986 N GLU A 63 0.344 -3.567 8.572 1.00 0.00 N ATOM 987 CA GLU A 63 1.178 -2.453 8.064 1.00 0.00 C ATOM 988 C GLU A 63 0.428 -1.739 6.936 1.00 0.00 C ATOM 989 O GLU A 63 0.501 -0.534 6.793 1.00 0.00 O ATOM 990 CB GLU A 63 2.492 -3.022 7.537 1.00 0.00 C ATOM 991 CG GLU A 63 3.588 -2.850 8.593 1.00 0.00 C ATOM 992 CD GLU A 63 4.898 -3.441 8.071 1.00 0.00 C ATOM 993 OE1 GLU A 63 4.837 -4.258 7.166 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.939 -3.070 8.586 1.00 0.00 O ATOM 0 H GLU A 63 0.699 -4.501 8.367 1.00 0.00 H new ATOM 0 HA GLU A 63 1.385 -1.741 8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.371 -4.077 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.777 -2.513 6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.721 -1.793 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.297 -3.346 9.519 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.304 -2.474 6.140 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.068 -1.835 5.031 1.00 0.00 C ATOM 1003 C PHE A 64 -2.216 -1.018 5.636 1.00 0.00 C ATOM 1004 O PHE A 64 -2.337 0.170 5.412 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.648 -2.917 4.114 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.398 -2.559 2.665 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.491 -1.227 2.237 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.071 -3.566 1.747 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.254 -0.905 0.894 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -0.834 -3.241 0.406 1.00 0.00 C ATOM 1011 CZ PHE A 64 -0.924 -1.912 -0.019 1.00 0.00 C ATOM 0 H PHE A 64 -0.405 -3.487 6.211 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.408 -1.189 4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.193 -3.881 4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.718 -3.020 4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.745 -0.450 2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.002 -4.593 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.326 0.121 0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.581 -4.018 -0.301 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.739 -1.663 -1.053 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.061 -1.658 6.403 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.207 -0.941 7.034 1.00 0.00 C ATOM 1023 C GLN A 65 -3.691 0.169 7.951 1.00 0.00 C ATOM 1024 O GLN A 65 -4.453 0.971 8.453 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.026 -1.933 7.862 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.433 -1.377 8.086 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.384 -1.985 7.056 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -8.244 -1.309 6.528 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -7.262 -3.247 6.748 1.00 0.00 N ATOM 0 H GLN A 65 -3.005 -2.653 6.620 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.828 -0.502 6.253 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.081 -2.893 7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.538 -2.112 8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.773 -1.611 9.095 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.426 -0.291 7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.539 -3.813 7.193 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.889 -3.668 6.063 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.408 0.228 8.174 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.861 1.296 9.058 1.00 0.00 C ATOM 1040 C GLN A 66 -1.601 2.539 8.212 1.00 0.00 C ATOM 1041 O GLN A 66 -1.728 3.658 8.668 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.552 0.823 9.696 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.858 -0.054 10.913 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.714 0.772 12.193 1.00 0.00 C ATOM 1045 OE1 GLN A 66 0.192 1.572 12.315 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -1.574 0.609 13.163 1.00 0.00 N ATOM 0 H GLN A 66 -1.717 -0.413 7.785 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.574 1.525 9.850 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.036 0.262 8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.048 1.682 9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.869 -0.455 10.839 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.178 -0.906 10.940 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.335 -0.062 13.062 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.484 1.153 14.021 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.249 2.344 6.974 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.990 3.501 6.079 1.00 0.00 C ATOM 1057 C VAL A 67 -2.322 3.988 5.505 1.00 0.00 C ATOM 1058 O VAL A 67 -2.618 5.166 5.501 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.074 3.055 4.940 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.934 4.161 4.628 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.678 1.790 5.356 1.00 0.00 C ATOM 0 H VAL A 67 -1.129 1.428 6.542 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.512 4.308 6.635 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.675 2.850 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.586 3.840 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.402 5.065 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.534 4.367 5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.331 1.472 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.276 1.998 6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.037 0.998 5.578 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.126 3.081 5.025 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.446 3.464 4.449 1.00 0.00 C ATOM 1073 C LEU A 68 -5.082 4.579 5.288 1.00 0.00 C ATOM 1074 O LEU A 68 -5.607 5.540 4.762 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.359 2.232 4.449 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.755 2.611 3.944 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.506 3.383 5.029 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.630 3.483 2.693 1.00 0.00 C ATOM 0 H LEU A 68 -2.923 2.081 5.007 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.310 3.828 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.933 1.454 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.427 1.820 5.456 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.306 1.702 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.498 3.650 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.601 2.760 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.955 4.290 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.624 3.751 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.075 4.389 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.102 2.931 1.916 1.00 0.00 H new ATOM 1090 N ASP A 69 -5.050 4.455 6.587 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.669 5.503 7.451 1.00 0.00 C ATOM 1092 C ASP A 69 -4.682 6.651 7.693 1.00 0.00 C ATOM 1093 O ASP A 69 -5.073 7.791 7.848 1.00 0.00 O ATOM 1094 CB ASP A 69 -6.059 4.880 8.793 1.00 0.00 C ATOM 1095 CG ASP A 69 -6.748 5.933 9.663 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -6.848 7.065 9.220 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -7.167 5.588 10.755 1.00 0.00 O ATOM 0 H ASP A 69 -4.623 3.675 7.087 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.552 5.899 6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.726 4.033 8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.173 4.497 9.300 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.410 6.363 7.741 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.410 7.445 7.992 1.00 0.00 C ATOM 1104 C GLU A 70 -2.506 8.515 6.905 1.00 0.00 C ATOM 1105 O GLU A 70 -2.758 9.671 7.184 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.999 6.852 7.997 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.117 7.642 8.967 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.415 7.202 10.401 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -1.569 6.933 10.689 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.516 7.143 11.187 1.00 0.00 O ATOM 0 H GLU A 70 -3.019 5.429 7.618 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.620 7.900 8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.035 5.803 8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.575 6.886 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.935 7.476 8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.303 8.710 8.857 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.297 8.152 5.670 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.368 9.170 4.586 1.00 0.00 C ATOM 1119 C ILE A 71 -3.736 9.854 4.617 1.00 0.00 C ATOM 1120 O ILE A 71 -3.834 11.062 4.550 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.152 8.505 3.225 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.585 7.097 3.422 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.162 9.340 2.411 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.963 6.609 2.112 1.00 0.00 C ATOM 0 H ILE A 71 -2.082 7.202 5.366 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.587 9.914 4.742 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.103 8.439 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.835 7.103 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.375 6.416 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.003 8.872 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.563 10.344 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.213 9.401 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.559 5.606 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.725 6.588 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.161 7.285 1.816 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.795 9.098 4.722 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.145 9.726 4.760 1.00 0.00 C ATOM 1138 C LYS A 72 -6.100 10.954 5.670 1.00 0.00 C ATOM 1139 O LYS A 72 -6.560 12.018 5.316 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.165 8.724 5.303 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.482 9.449 5.594 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.652 8.472 5.446 1.00 0.00 C ATOM 1143 CE LYS A 72 -10.384 8.744 4.130 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.294 7.605 3.822 1.00 0.00 N ATOM 0 H LYS A 72 -4.784 8.080 4.783 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.438 10.024 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.328 7.926 4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.785 8.257 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.466 9.862 6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.606 10.287 4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.286 7.445 5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.339 8.581 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.955 9.670 4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.664 8.877 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.791 7.790 2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.738 6.730 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.989 7.498 4.589 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.544 10.818 6.843 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.469 11.984 7.767 1.00 0.00 C ATOM 1160 C GLN A 73 -4.796 13.157 7.049 1.00 0.00 C ATOM 1161 O GLN A 73 -5.143 14.304 7.252 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.649 11.603 9.004 1.00 0.00 C ATOM 1163 CG GLN A 73 -4.750 12.718 10.047 1.00 0.00 C ATOM 1164 CD GLN A 73 -5.786 12.336 11.106 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -6.869 11.889 10.781 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -5.499 12.496 12.370 1.00 0.00 N ATOM 0 H GLN A 73 -5.140 9.952 7.200 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.474 12.273 8.074 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.016 10.665 9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.607 11.443 8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.779 12.881 10.515 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.034 13.655 9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.591 12.871 12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.183 12.246 13.084 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.834 12.877 6.214 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.134 13.975 5.484 1.00 0.00 C ATOM 1177 C GLN A 74 -4.140 14.776 4.651 1.00 0.00 C ATOM 1178 O GLN A 74 -4.018 15.975 4.503 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.069 13.382 4.559 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.036 12.629 5.397 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.467 13.563 6.467 1.00 0.00 C ATOM 1182 OE1 GLN A 74 -0.924 13.564 7.593 1.00 0.00 O ATOM 1183 NE2 GLN A 74 0.516 14.365 6.161 1.00 0.00 N ATOM 0 H GLN A 74 -3.501 11.936 6.005 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.661 14.636 6.210 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.531 12.707 3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.584 14.174 3.989 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.497 11.760 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.234 12.259 4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.900 14.364 5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.901 14.993 6.867 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.132 14.128 4.104 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.133 14.866 3.281 1.00 0.00 C ATOM 1194 C LEU A 75 -6.540 16.149 4.010 1.00 0.00 C ATOM 1195 O LEU A 75 -7.143 17.034 3.437 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.371 13.990 3.061 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.155 13.085 1.846 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.973 13.946 0.595 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.905 12.228 2.062 1.00 0.00 C ATOM 0 H LEU A 75 -5.293 13.124 4.190 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.694 15.115 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.562 13.385 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.249 14.617 2.908 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.022 12.436 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.819 13.302 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.863 14.556 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.107 14.595 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.752 11.584 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.038 12.876 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.034 11.614 2.953 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.217 16.253 5.270 1.00 0.00 N ATOM 1212 CA GLN A 76 -6.587 17.477 6.035 1.00 0.00 C ATOM 1213 C GLN A 76 -5.699 18.647 5.599 1.00 0.00 C ATOM 1214 O GLN A 76 -4.928 19.177 6.375 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.394 17.218 7.532 1.00 0.00 C ATOM 1216 CG GLN A 76 -6.721 18.489 8.320 1.00 0.00 C ATOM 1217 CD GLN A 76 -7.963 18.251 9.181 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -9.042 18.699 8.847 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -7.856 17.562 10.284 1.00 0.00 N ATOM 0 H GLN A 76 -5.713 15.544 5.802 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.630 17.725 5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.039 16.401 7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.367 16.910 7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.876 18.766 8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.894 19.320 7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.950 17.186 10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.678 17.400 10.866 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.803 19.055 4.363 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.967 20.192 3.879 1.00 0.00 C ATOM 1230 C GLY A 77 -5.194 20.389 2.379 1.00 0.00 C ATOM 1231 O GLY A 77 -6.313 20.387 1.905 1.00 0.00 O ATOM 0 H GLY A 77 -6.430 18.651 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.225 21.103 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.914 19.992 4.075 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.142 20.561 1.626 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.300 20.756 0.157 1.00 0.00 C ATOM 1237 C GLY A 78 -3.968 19.452 -0.569 1.00 0.00 C ATOM 1238 O GLY A 78 -3.910 19.402 -1.781 1.00 0.00 O ATOM 0 H GLY A 78 -3.180 20.575 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.321 21.063 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.642 21.554 -0.188 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.748 18.396 0.165 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.418 17.094 -0.480 1.00 0.00 C ATOM 1244 C ASP A 79 -4.625 16.596 -1.279 1.00 0.00 C ATOM 1245 O ASP A 79 -4.841 15.409 -1.417 1.00 0.00 O ATOM 1246 CB ASP A 79 -3.059 16.067 0.598 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.103 16.735 1.974 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -4.091 17.391 2.262 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -2.148 16.578 2.717 1.00 0.00 O ATOM 0 H ASP A 79 -3.783 18.379 1.184 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.570 17.227 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.757 15.231 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.065 15.660 0.411 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.414 17.492 -1.808 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.601 17.060 -2.599 1.00 0.00 C ATOM 1256 C ASN A 80 -6.158 16.057 -3.662 1.00 0.00 C ATOM 1257 O ASN A 80 -6.968 15.451 -4.335 1.00 0.00 O ATOM 1258 CB ASN A 80 -7.240 18.275 -3.272 1.00 0.00 C ATOM 1259 CG ASN A 80 -7.815 19.207 -2.204 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -7.218 20.212 -1.873 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -8.957 18.913 -1.647 1.00 0.00 N ATOM 0 H ASN A 80 -5.288 18.501 -1.727 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.331 16.593 -1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.498 18.804 -3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.029 17.954 -3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.349 19.527 -0.933 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.458 18.069 -1.925 1.00 0.00 H new ATOM 1268 N SER A 81 -4.876 15.859 -3.805 1.00 0.00 N ATOM 1269 CA SER A 81 -4.387 14.875 -4.805 1.00 0.00 C ATOM 1270 C SER A 81 -4.471 13.496 -4.166 1.00 0.00 C ATOM 1271 O SER A 81 -4.974 12.556 -4.748 1.00 0.00 O ATOM 1272 CB SER A 81 -2.939 15.193 -5.176 1.00 0.00 C ATOM 1273 OG SER A 81 -2.835 15.326 -6.588 1.00 0.00 O ATOM 0 H SER A 81 -4.149 16.337 -3.272 1.00 0.00 H new ATOM 0 HA SER A 81 -4.989 14.913 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.620 16.114 -4.688 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.279 14.400 -4.824 1.00 0.00 H new ATOM 0 HG SER A 81 -2.002 14.910 -6.895 1.00 0.00 H new ATOM 1279 N LEU A 82 -4.010 13.381 -2.952 1.00 0.00 N ATOM 1280 CA LEU A 82 -4.093 12.078 -2.254 1.00 0.00 C ATOM 1281 C LEU A 82 -5.536 11.595 -2.344 1.00 0.00 C ATOM 1282 O LEU A 82 -5.809 10.429 -2.549 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.705 12.258 -0.792 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.246 11.849 -0.606 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.398 12.459 -1.721 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.740 12.353 0.744 1.00 0.00 C ATOM 0 H LEU A 82 -3.580 14.136 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.418 11.354 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.845 13.296 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.349 11.652 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.170 10.762 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.356 12.167 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.755 12.101 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.477 13.546 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.698 12.060 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.818 13.440 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.342 11.920 1.543 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.464 12.503 -2.206 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.897 12.125 -2.298 1.00 0.00 C ATOM 1300 C HIS A 83 -8.073 11.192 -3.494 1.00 0.00 C ATOM 1301 O HIS A 83 -8.970 10.374 -3.537 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.745 13.383 -2.504 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.770 13.489 -1.408 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.324 12.371 -0.800 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.352 14.574 -0.799 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.196 12.805 0.130 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.248 14.137 0.169 1.00 0.00 N ATOM 0 H HIS A 83 -6.287 13.493 -2.033 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.214 11.627 -1.382 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.107 14.267 -2.505 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -9.239 13.345 -3.475 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.145 15.607 -1.036 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.780 12.155 0.765 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -11.825 14.714 0.781 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.211 11.313 -4.467 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.311 10.440 -5.667 1.00 0.00 C ATOM 1318 C ASN A 84 -6.324 9.279 -5.538 1.00 0.00 C ATOM 1319 O ASN A 84 -6.576 8.187 -6.007 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.982 11.256 -6.919 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.689 12.611 -6.846 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -8.825 12.693 -6.420 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -7.063 13.683 -7.244 1.00 0.00 N ATOM 0 H ASN A 84 -6.440 11.981 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.324 10.046 -5.747 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.905 11.400 -6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.299 10.716 -7.811 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.526 14.591 -7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.110 13.614 -7.601 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.201 9.499 -4.904 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.214 8.398 -4.753 1.00 0.00 C ATOM 1332 C VAL A 85 -4.537 7.604 -3.484 1.00 0.00 C ATOM 1333 O VAL A 85 -4.570 6.390 -3.495 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.807 8.991 -4.658 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.805 8.029 -5.295 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.767 10.327 -5.404 1.00 0.00 C ATOM 0 H VAL A 85 -4.929 10.390 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.263 7.732 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.549 9.147 -3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.802 8.451 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.833 7.074 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.064 7.875 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.765 10.751 -5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.024 10.167 -6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.483 11.016 -4.956 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.788 8.277 -2.395 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.122 7.552 -1.137 1.00 0.00 C ATOM 1348 C HIS A 86 -6.204 6.512 -1.441 1.00 0.00 C ATOM 1349 O HIS A 86 -6.167 5.401 -0.951 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.628 8.553 -0.089 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.726 7.931 0.734 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -8.058 7.980 0.347 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.706 7.243 1.924 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.778 7.338 1.287 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -8.002 6.873 2.265 1.00 0.00 N ATOM 0 H HIS A 86 -4.776 9.294 -2.322 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.237 7.051 -0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.807 8.859 0.559 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.997 9.452 -0.582 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.821 7.024 2.504 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.850 7.215 1.252 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -8.297 6.354 3.092 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.167 6.864 -2.251 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.247 5.896 -2.589 1.00 0.00 C ATOM 1366 C GLU A 87 -7.631 4.654 -3.231 1.00 0.00 C ATOM 1367 O GLU A 87 -8.217 3.590 -3.238 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.229 6.546 -3.565 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.651 6.081 -3.243 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.620 6.628 -4.292 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.760 5.996 -5.326 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.205 7.670 -4.044 1.00 0.00 O ATOM 0 H GLU A 87 -7.251 7.780 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.778 5.610 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.165 7.632 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.971 6.279 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.693 4.992 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.941 6.426 -2.251 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.448 4.777 -3.767 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.794 3.598 -4.398 1.00 0.00 C ATOM 1381 C ASN A 88 -5.595 2.514 -3.340 1.00 0.00 C ATOM 1382 O ASN A 88 -6.214 1.471 -3.382 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.438 4.016 -4.970 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.645 5.114 -6.015 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -5.763 5.419 -6.378 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -3.606 5.725 -6.517 1.00 0.00 N ATOM 0 H ASN A 88 -5.907 5.642 -3.795 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.420 3.212 -5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.789 4.376 -4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.941 3.157 -5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.733 6.459 -7.214 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.667 5.469 -6.212 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.741 2.756 -2.385 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.507 1.746 -1.316 1.00 0.00 C ATOM 1395 C ILE A 89 -5.824 1.036 -0.994 1.00 0.00 C ATOM 1396 O ILE A 89 -5.911 -0.175 -1.023 1.00 0.00 O ATOM 1397 CB ILE A 89 -3.982 2.456 -0.062 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.523 2.862 -0.295 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.065 1.523 1.152 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.808 3.022 1.048 1.00 0.00 C ATOM 0 H ILE A 89 -4.194 3.612 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.775 1.012 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.591 3.339 0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.018 2.108 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.481 3.797 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.689 2.040 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.102 1.231 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.463 0.633 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.771 3.311 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.306 3.793 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.836 2.077 1.590 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.842 1.782 -0.674 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.150 1.157 -0.332 1.00 0.00 C ATOM 1414 C LYS A 90 -8.458 0.017 -1.305 1.00 0.00 C ATOM 1415 O LYS A 90 -8.782 -1.081 -0.899 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.253 2.214 -0.418 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.299 1.956 0.669 1.00 0.00 C ATOM 1418 CD LYS A 90 -11.493 2.884 0.452 1.00 0.00 C ATOM 1419 CE LYS A 90 -12.594 2.135 -0.302 1.00 0.00 C ATOM 1420 NZ LYS A 90 -13.656 3.096 -0.712 1.00 0.00 N ATOM 0 H LYS A 90 -6.826 2.801 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.102 0.756 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.826 3.210 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.722 2.186 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.622 0.916 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.866 2.127 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.871 3.238 1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.185 3.764 -0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.177 1.641 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.018 1.356 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.405 2.588 -1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.060 3.548 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.245 3.824 -1.331 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.368 0.261 -2.583 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.663 -0.821 -3.567 1.00 0.00 C ATOM 1436 C GLU A 91 -7.401 -1.656 -3.801 1.00 0.00 C ATOM 1437 O GLU A 91 -7.460 -2.861 -3.944 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.121 -0.200 -4.888 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.538 0.354 -4.726 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.552 -0.703 -5.169 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -11.773 -0.820 -6.363 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -12.089 -1.378 -4.307 1.00 0.00 O ATOM 0 H GLU A 91 -8.104 1.159 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.454 -1.462 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.439 0.597 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.100 -0.948 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.715 0.631 -3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.656 1.259 -5.321 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.262 -1.023 -3.836 1.00 0.00 N ATOM 1450 CA ILE A 92 -4.992 -1.771 -4.056 1.00 0.00 C ATOM 1451 C ILE A 92 -4.753 -2.715 -2.874 1.00 0.00 C ATOM 1452 O ILE A 92 -4.643 -3.915 -3.029 1.00 0.00 O ATOM 1453 CB ILE A 92 -3.835 -0.765 -4.155 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.548 -0.464 -5.629 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.578 -1.340 -3.493 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -2.697 -1.585 -6.225 1.00 0.00 C ATOM 0 H ILE A 92 -6.155 -0.015 -3.721 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.053 -2.352 -4.976 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.116 0.154 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.484 -0.371 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.028 0.489 -5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.764 -0.619 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.782 -1.547 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.292 -2.264 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.494 -1.369 -7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.756 -1.656 -5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.234 -2.530 -6.147 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.663 -2.170 -1.696 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.421 -3.005 -0.487 1.00 0.00 C ATOM 1470 C PHE A 93 -5.478 -4.106 -0.396 1.00 0.00 C ATOM 1471 O PHE A 93 -5.180 -5.242 -0.086 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.498 -2.096 0.741 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.580 -2.901 2.014 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.023 -4.185 2.094 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.210 -2.342 3.129 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.103 -4.905 3.291 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.292 -3.061 4.322 1.00 0.00 C ATOM 1478 CZ PHE A 93 -4.738 -4.343 4.406 1.00 0.00 C ATOM 0 H PHE A 93 -4.748 -1.170 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.440 -3.477 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.621 -1.449 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.370 -1.447 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.533 -4.617 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.635 -1.351 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.675 -5.894 3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.783 -2.628 5.181 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.800 -4.899 5.330 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.710 -3.783 -0.667 1.00 0.00 N ATOM 1489 CA HIS A 94 -7.780 -4.815 -0.600 1.00 0.00 C ATOM 1490 C HIS A 94 -7.700 -5.706 -1.840 1.00 0.00 C ATOM 1491 O HIS A 94 -8.393 -6.697 -1.950 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.143 -4.129 -0.555 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.080 -4.916 0.317 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.050 -4.304 1.097 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.215 -6.264 0.539 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -11.721 -5.273 1.745 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.251 -6.483 1.440 1.00 0.00 N ATOM 0 H HIS A 94 -7.023 -2.849 -0.932 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.648 -5.422 0.296 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.038 -3.115 -0.169 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.552 -4.046 -1.562 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.610 -7.035 0.084 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.539 -5.093 2.427 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.582 -7.381 1.793 1.00 0.00 H new ATOM 1506 N HIS A 95 -6.860 -5.359 -2.778 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.742 -6.190 -4.012 1.00 0.00 C ATOM 1508 C HIS A 95 -5.848 -7.398 -3.726 1.00 0.00 C ATOM 1509 O HIS A 95 -6.040 -8.465 -4.273 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.133 -5.353 -5.142 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.114 -5.253 -6.280 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -6.724 -5.375 -7.606 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -8.472 -5.043 -6.306 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -7.826 -5.239 -8.368 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.913 -5.035 -7.623 1.00 0.00 N ATOM 0 H HIS A 95 -6.253 -4.540 -2.744 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.731 -6.533 -4.315 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.882 -4.357 -4.776 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.205 -5.809 -5.487 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.099 -4.906 -5.437 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -7.829 -5.289 -9.447 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.869 -4.901 -7.952 1.00 0.00 H new ATOM 1524 N LEU A 96 -4.877 -7.244 -2.870 1.00 0.00 N ATOM 1525 CA LEU A 96 -3.987 -8.394 -2.551 1.00 0.00 C ATOM 1526 C LEU A 96 -4.791 -9.441 -1.781 1.00 0.00 C ATOM 1527 O LEU A 96 -4.890 -10.581 -2.189 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.813 -7.913 -1.699 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.519 -8.589 -2.166 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.443 -8.394 -1.102 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.754 -10.088 -2.375 1.00 0.00 C ATOM 0 H LEU A 96 -4.662 -6.376 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.600 -8.831 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.716 -6.830 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.996 -8.143 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.201 -8.143 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.481 -8.872 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.267 -7.329 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.773 -8.842 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.828 -10.559 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.075 -10.540 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.526 -10.233 -3.131 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.380 -9.067 -0.676 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.186 -10.053 0.093 1.00 0.00 C ATOM 1545 C GLU A 97 -7.152 -10.746 -0.869 1.00 0.00 C ATOM 1546 O GLU A 97 -7.840 -11.682 -0.514 1.00 0.00 O ATOM 1547 CB GLU A 97 -6.975 -9.334 1.189 1.00 0.00 C ATOM 1548 CG GLU A 97 -7.963 -10.310 1.833 1.00 0.00 C ATOM 1549 CD GLU A 97 -8.231 -9.885 3.278 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -7.458 -10.269 4.140 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -9.204 -9.182 3.497 1.00 0.00 O ATOM 0 H GLU A 97 -5.337 -8.129 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.530 -10.789 0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.294 -8.940 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.511 -8.483 0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.895 -10.326 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.559 -11.322 1.809 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.201 -10.290 -2.094 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.113 -10.913 -3.091 1.00 0.00 C ATOM 1560 C GLU A 98 -7.350 -11.992 -3.864 1.00 0.00 C ATOM 1561 O GLU A 98 -7.867 -13.061 -4.126 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.613 -9.841 -4.064 1.00 0.00 C ATOM 1563 CG GLU A 98 -10.133 -9.715 -3.950 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.631 -8.647 -4.926 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.642 -7.487 -4.548 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -10.994 -9.007 -6.033 1.00 0.00 O ATOM 0 H GLU A 98 -6.645 -9.510 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.965 -11.362 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.141 -8.884 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.335 -10.104 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.605 -10.672 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.411 -9.449 -2.930 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.122 -11.726 -4.225 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.332 -12.745 -4.970 1.00 0.00 C ATOM 1575 C LEU A 99 -5.126 -13.965 -4.073 1.00 0.00 C ATOM 1576 O LEU A 99 -4.516 -14.942 -4.461 1.00 0.00 O ATOM 1577 CB LEU A 99 -3.971 -12.157 -5.346 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.055 -11.508 -6.726 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.167 -10.263 -6.757 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.576 -12.503 -7.783 1.00 0.00 C ATOM 0 H LEU A 99 -5.635 -10.850 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.864 -13.036 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.665 -11.419 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.213 -12.940 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.086 -11.223 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.226 -9.799 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.506 -9.555 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.135 -10.547 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.635 -12.043 -8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.544 -12.786 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.207 -13.391 -7.759 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.625 -13.907 -2.869 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.455 -15.052 -1.932 1.00 0.00 C ATOM 1594 C VAL A 100 -6.820 -15.624 -1.549 1.00 0.00 C ATOM 1595 O VAL A 100 -6.990 -16.821 -1.426 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.729 -14.560 -0.680 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.890 -13.338 -1.037 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.747 -14.167 0.387 1.00 0.00 C ATOM 0 H VAL A 100 -6.144 -13.114 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.872 -15.837 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.090 -15.356 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.369 -12.982 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.161 -13.608 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.539 -12.549 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.224 -13.817 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.386 -13.371 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.359 -15.032 0.642 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.790 -14.778 -1.341 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.133 -15.279 -0.947 1.00 0.00 C ATOM 1610 C HIS A 101 -9.508 -16.482 -1.814 1.00 0.00 C ATOM 1611 O HIS A 101 -10.228 -17.363 -1.389 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.175 -14.170 -1.130 1.00 0.00 C ATOM 1613 CG HIS A 101 -10.976 -14.024 0.135 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -10.375 -13.845 1.373 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.330 -14.032 0.372 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -11.356 -13.755 2.292 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -12.562 -13.864 1.732 1.00 0.00 N ATOM 0 H HIS A 101 -7.710 -13.765 -1.427 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.109 -15.581 0.100 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.682 -13.229 -1.372 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.834 -14.409 -1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.095 -14.150 -0.381 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -11.187 -13.613 3.349 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.466 -13.831 2.204 1.00 0.00 H new ATOM 1626 N ARG A 102 -9.026 -16.529 -3.027 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.360 -17.680 -3.912 1.00 0.00 C ATOM 1628 C ARG A 102 -8.167 -18.634 -3.983 1.00 0.00 C ATOM 1629 O ARG A 102 -7.247 -18.461 -3.202 1.00 0.00 O ATOM 1630 CB ARG A 102 -9.692 -17.171 -5.317 1.00 0.00 C ATOM 1631 CG ARG A 102 -8.684 -16.095 -5.731 1.00 0.00 C ATOM 1632 CD ARG A 102 -8.819 -15.822 -7.230 1.00 0.00 C ATOM 1633 NE ARG A 102 -9.861 -14.779 -7.455 1.00 0.00 N ATOM 1634 CZ ARG A 102 -11.109 -15.127 -7.616 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -11.446 -16.387 -7.582 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -12.021 -14.212 -7.810 1.00 0.00 N ATOM 1637 OXT ARG A 102 -8.196 -19.523 -4.819 1.00 0.00 O ATOM 0 H ARG A 102 -8.418 -15.823 -3.441 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.223 -18.208 -3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.669 -17.997 -6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.702 -16.762 -5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.860 -15.180 -5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.670 -16.422 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.864 -15.490 -7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.088 -16.739 -7.754 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.599 -13.794 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.734 -17.101 -7.429 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.421 -16.658 -7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.758 -13.227 -7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.996 -14.483 -7.936 1.00 0.00 H new