USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 925 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 69 ASN : amide:sc= -1.63! K(o=-2.2!,f=-3) USER MOD Set 1.2: A 73 TYR OH : rot 114:sc= 0.46 USER MOD Set 1.3: A 90 MET CE :methyl -171:sc= -0.981 (180deg=-1.31) USER MOD Set 2.1: A 25 TYR OH : rot 77:sc= 1.43! USER MOD Set 2.2: A 49 HIS : no HE2:sc= -1.61! C(o=-0.18!,f=-8.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 69:sc= 0.537 USER MOD Single : A 3 SER OG : rot 22:sc= 0.761 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0433 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -60:sc= -1.28 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -76:sc= 0.956 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.831 F(o=-1.8,f=-0.83) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.0881 (180deg=-0.455) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 32 ASN : amide:sc= -2.23! C(o=-2.2!,f=-3.9!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 36 SER OG : rot -85:sc= 1.16 USER MOD Single : A 39 ASN : amide:sc= -0.843! C(o=-0.84!,f=-10!) USER MOD Single : A 42 SER OG : rot 97:sc= 0.0302 USER MOD Single : A 44 CYS SG : rot 81:sc= -1.7 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -7.07 F(o=-9!,f=-7.1) USER MOD Single : A 57 TYR OH : rot 69:sc= -0.609 USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.012 (180deg=-0.166) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.8! C(o=-3.3!,f=-2.8!) USER MOD Single : A 63 GLN : amide:sc= -10.2! C(o=-10!,f=-14!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2.25 K(o=-2.3,f=-4.1!) USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00437) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= -3 (180deg=-5.86!) USER MOD Single : A 78 SER OG : rot 92:sc= 1.22 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc=0.000174 USER MOD Single : A 102 MET CE :methyl 158:sc= -0.0455 (180deg=-0.966) USER MOD Single : A 103 THR OG1 : rot 70:sc= 0.38 USER MOD Single : A 104 TYR OH : rot 30:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.89) USER MOD Single : A 111 HIS : no HD1:sc= -4.01! C(o=-4!,f=-4.4!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0.00163 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.914 -15.482 -19.502 1.00 0.00 N ATOM 2 CA GLY A 1 18.218 -15.407 -20.134 1.00 0.00 C ATOM 3 C GLY A 1 19.345 -15.301 -19.127 1.00 0.00 C ATOM 4 O GLY A 1 19.952 -14.241 -18.974 1.00 0.00 O ATOM 0 H1 GLY A 1 16.178 -15.553 -20.233 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.874 -16.320 -18.887 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.755 -14.627 -18.932 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.370 -16.291 -20.753 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.247 -14.544 -20.799 1.00 0.00 H new ATOM 8 N SER A 2 19.626 -16.401 -18.437 1.00 0.00 N ATOM 9 CA SER A 2 20.685 -16.426 -17.434 1.00 0.00 C ATOM 10 C SER A 2 20.743 -15.105 -16.673 1.00 0.00 C ATOM 11 O SER A 2 21.821 -14.569 -16.419 1.00 0.00 O ATOM 12 CB SER A 2 22.036 -16.706 -18.096 1.00 0.00 C ATOM 13 OG SER A 2 22.512 -15.564 -18.787 1.00 0.00 O ATOM 0 H SER A 2 19.135 -17.287 -18.554 1.00 0.00 H new ATOM 0 HA SER A 2 20.463 -17.224 -16.726 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.761 -17.005 -17.339 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.938 -17.541 -18.790 1.00 0.00 H new ATOM 0 HG SER A 2 22.761 -14.871 -18.141 1.00 0.00 H new ATOM 19 N SER A 3 19.574 -14.586 -16.311 1.00 0.00 N ATOM 20 CA SER A 3 19.489 -13.327 -15.581 1.00 0.00 C ATOM 21 C SER A 3 19.243 -13.574 -14.096 1.00 0.00 C ATOM 22 O SER A 3 18.386 -14.374 -13.722 1.00 0.00 O ATOM 23 CB SER A 3 18.372 -12.454 -16.156 1.00 0.00 C ATOM 24 OG SER A 3 18.578 -12.206 -17.537 1.00 0.00 O ATOM 0 H SER A 3 18.672 -15.018 -16.512 1.00 0.00 H new ATOM 0 HA SER A 3 20.441 -12.807 -15.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.410 -12.946 -16.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.331 -11.508 -15.616 1.00 0.00 H new ATOM 0 HG SER A 3 19.166 -12.896 -17.909 1.00 0.00 H new ATOM 30 N GLY A 4 20.003 -12.881 -13.253 1.00 0.00 N ATOM 31 CA GLY A 4 19.853 -13.039 -11.818 1.00 0.00 C ATOM 32 C GLY A 4 18.622 -12.335 -11.283 1.00 0.00 C ATOM 33 O GLY A 4 18.479 -11.122 -11.430 1.00 0.00 O ATOM 0 H GLY A 4 20.719 -12.213 -13.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.795 -14.100 -11.577 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.738 -12.647 -11.318 1.00 0.00 H new ATOM 37 N SER A 5 17.729 -13.099 -10.661 1.00 0.00 N ATOM 38 CA SER A 5 16.501 -12.542 -10.106 1.00 0.00 C ATOM 39 C SER A 5 16.656 -12.261 -8.615 1.00 0.00 C ATOM 40 O SER A 5 15.786 -12.600 -7.814 1.00 0.00 O ATOM 41 CB SER A 5 15.331 -13.501 -10.337 1.00 0.00 C ATOM 42 OG SER A 5 15.007 -13.588 -11.714 1.00 0.00 O ATOM 0 H SER A 5 17.833 -14.105 -10.529 1.00 0.00 H new ATOM 0 HA SER A 5 16.296 -11.600 -10.615 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.587 -14.490 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.461 -13.160 -9.776 1.00 0.00 H new ATOM 0 HG SER A 5 14.258 -14.208 -11.835 1.00 0.00 H new ATOM 48 N SER A 6 17.772 -11.638 -8.250 1.00 0.00 N ATOM 49 CA SER A 6 18.046 -11.314 -6.854 1.00 0.00 C ATOM 50 C SER A 6 18.510 -9.868 -6.713 1.00 0.00 C ATOM 51 O SER A 6 19.157 -9.322 -7.606 1.00 0.00 O ATOM 52 CB SER A 6 19.106 -12.260 -6.287 1.00 0.00 C ATOM 53 OG SER A 6 18.538 -13.509 -5.933 1.00 0.00 O ATOM 0 H SER A 6 18.501 -11.347 -8.901 1.00 0.00 H new ATOM 0 HA SER A 6 17.121 -11.437 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.894 -12.411 -7.024 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.571 -11.807 -5.411 1.00 0.00 H new ATOM 0 HG SER A 6 19.236 -14.096 -5.575 1.00 0.00 H new ATOM 59 N GLY A 7 18.175 -9.253 -5.583 1.00 0.00 N ATOM 60 CA GLY A 7 18.565 -7.875 -5.345 1.00 0.00 C ATOM 61 C GLY A 7 17.453 -6.895 -5.660 1.00 0.00 C ATOM 62 O GLY A 7 17.437 -6.260 -6.714 1.00 0.00 O ATOM 0 H GLY A 7 17.641 -9.684 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.862 -7.760 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.438 -7.637 -5.953 1.00 0.00 H new ATOM 66 N PRO A 8 16.495 -6.761 -4.730 1.00 0.00 N ATOM 67 CA PRO A 8 15.356 -5.854 -4.892 1.00 0.00 C ATOM 68 C PRO A 8 15.768 -4.387 -4.818 1.00 0.00 C ATOM 69 O PRO A 8 14.976 -3.495 -5.118 1.00 0.00 O ATOM 70 CB PRO A 8 14.446 -6.213 -3.715 1.00 0.00 C ATOM 71 CG PRO A 8 15.362 -6.783 -2.688 1.00 0.00 C ATOM 72 CD PRO A 8 16.451 -7.487 -3.449 1.00 0.00 C ATOM 0 HA PRO A 8 14.881 -5.967 -5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.924 -5.334 -3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.684 -6.934 -4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.774 -5.998 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.832 -7.476 -2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 8 17.405 -7.436 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.223 -8.543 -3.593 1.00 0.00 H new ATOM 80 N ASN A 9 17.012 -4.146 -4.418 1.00 0.00 N ATOM 81 CA ASN A 9 17.529 -2.787 -4.304 1.00 0.00 C ATOM 82 C ASN A 9 17.275 -2.000 -5.586 1.00 0.00 C ATOM 83 O ASN A 9 18.123 -1.953 -6.477 1.00 0.00 O ATOM 84 CB ASN A 9 19.028 -2.814 -3.998 1.00 0.00 C ATOM 85 CG ASN A 9 19.312 -2.992 -2.519 1.00 0.00 C ATOM 86 OD1 ASN A 9 19.048 -4.050 -1.948 1.00 0.00 O ATOM 87 ND2 ASN A 9 19.854 -1.954 -1.891 1.00 0.00 N ATOM 0 H ASN A 9 17.681 -4.874 -4.167 1.00 0.00 H new ATOM 0 HA ASN A 9 17.006 -2.293 -3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 9 19.495 -3.626 -4.555 1.00 0.00 H new ATOM 0 HB3 ASN A 9 19.484 -1.886 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 9 20.068 -2.015 -0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 9 20.056 -1.096 -2.404 1.00 0.00 H new ATOM 94 N ALA A 10 16.101 -1.383 -5.672 1.00 0.00 N ATOM 95 CA ALA A 10 15.735 -0.596 -6.843 1.00 0.00 C ATOM 96 C ALA A 10 14.423 0.146 -6.618 1.00 0.00 C ATOM 97 O ALA A 10 13.506 -0.373 -5.981 1.00 0.00 O ATOM 98 CB ALA A 10 15.635 -1.490 -8.070 1.00 0.00 C ATOM 0 H ALA A 10 15.387 -1.413 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 10 16.517 0.145 -7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.361 -0.889 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.597 -1.969 -8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.875 -2.253 -7.903 1.00 0.00 H new ATOM 104 N SER A 11 14.339 1.364 -7.144 1.00 0.00 N ATOM 105 CA SER A 11 13.139 2.180 -6.996 1.00 0.00 C ATOM 106 C SER A 11 12.111 1.834 -8.070 1.00 0.00 C ATOM 107 O SER A 11 11.227 2.632 -8.377 1.00 0.00 O ATOM 108 CB SER A 11 13.494 3.666 -7.075 1.00 0.00 C ATOM 109 OG SER A 11 14.525 3.895 -8.020 1.00 0.00 O ATOM 0 H SER A 11 15.087 1.808 -7.676 1.00 0.00 H new ATOM 0 HA SER A 11 12.704 1.969 -6.019 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.610 4.240 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.811 4.020 -6.094 1.00 0.00 H new ATOM 0 HG SER A 11 14.732 4.852 -8.053 1.00 0.00 H new ATOM 115 N GLN A 12 12.236 0.637 -8.635 1.00 0.00 N ATOM 116 CA GLN A 12 11.318 0.185 -9.675 1.00 0.00 C ATOM 117 C GLN A 12 10.580 -1.076 -9.238 1.00 0.00 C ATOM 118 O GLN A 12 9.389 -1.234 -9.506 1.00 0.00 O ATOM 119 CB GLN A 12 12.078 -0.079 -10.976 1.00 0.00 C ATOM 120 CG GLN A 12 11.284 -0.883 -11.992 1.00 0.00 C ATOM 121 CD GLN A 12 12.147 -1.414 -13.119 1.00 0.00 C ATOM 122 OE1 GLN A 12 13.200 -0.855 -13.427 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.705 -2.499 -13.743 1.00 0.00 N ATOM 0 H GLN A 12 12.962 -0.036 -8.391 1.00 0.00 H new ATOM 0 HA GLN A 12 10.584 0.973 -9.845 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.361 0.875 -11.421 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.001 -0.611 -10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.797 -1.718 -11.488 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.494 -0.257 -12.408 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.827 -2.931 -13.455 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.244 -2.901 -14.510 1.00 0.00 H new ATOM 132 N SER A 13 11.296 -1.972 -8.566 1.00 0.00 N ATOM 133 CA SER A 13 10.710 -3.221 -8.096 1.00 0.00 C ATOM 134 C SER A 13 9.400 -2.963 -7.357 1.00 0.00 C ATOM 135 O SER A 13 8.407 -3.662 -7.567 1.00 0.00 O ATOM 136 CB SER A 13 11.689 -3.956 -7.179 1.00 0.00 C ATOM 137 OG SER A 13 12.552 -4.798 -7.924 1.00 0.00 O ATOM 0 H SER A 13 12.283 -1.856 -8.335 1.00 0.00 H new ATOM 0 HA SER A 13 10.500 -3.844 -8.965 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.279 -3.232 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.135 -4.550 -6.452 1.00 0.00 H new ATOM 0 HG SER A 13 13.169 -5.255 -7.315 1.00 0.00 H new ATOM 143 N LEU A 14 9.405 -1.955 -6.492 1.00 0.00 N ATOM 144 CA LEU A 14 8.218 -1.603 -5.721 1.00 0.00 C ATOM 145 C LEU A 14 7.044 -1.286 -6.642 1.00 0.00 C ATOM 146 O LEU A 14 6.074 -2.042 -6.711 1.00 0.00 O ATOM 147 CB LEU A 14 8.510 -0.403 -4.818 1.00 0.00 C ATOM 148 CG LEU A 14 7.422 -0.045 -3.805 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.317 -1.118 -2.732 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.703 1.313 -3.179 1.00 0.00 C ATOM 0 H LEU A 14 10.218 -1.367 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 14 7.950 -2.460 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.434 -0.599 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.690 0.467 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 14 6.468 0.009 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.538 -0.846 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.068 -2.073 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.270 -1.206 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.919 1.552 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.666 1.286 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.726 2.075 -3.958 1.00 0.00 H new ATOM 162 N LEU A 15 7.140 -0.166 -7.350 1.00 0.00 N ATOM 163 CA LEU A 15 6.087 0.250 -8.270 1.00 0.00 C ATOM 164 C LEU A 15 5.521 -0.948 -9.027 1.00 0.00 C ATOM 165 O LEU A 15 4.371 -0.931 -9.466 1.00 0.00 O ATOM 166 CB LEU A 15 6.626 1.285 -9.259 1.00 0.00 C ATOM 167 CG LEU A 15 5.578 2.144 -9.968 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.209 3.348 -9.114 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.089 2.591 -11.330 1.00 0.00 C ATOM 0 H LEU A 15 7.936 0.470 -7.305 1.00 0.00 H new ATOM 0 HA LEU A 15 5.284 0.699 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.309 1.946 -8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.213 0.764 -10.016 1.00 0.00 H new ATOM 0 HG LEU A 15 4.682 1.542 -10.118 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.462 3.948 -9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.802 3.008 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.098 3.952 -8.933 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.331 3.201 -11.821 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.000 3.177 -11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.303 1.716 -11.943 1.00 0.00 H new ATOM 181 N VAL A 16 6.337 -1.987 -9.176 1.00 0.00 N ATOM 182 CA VAL A 16 5.917 -3.194 -9.877 1.00 0.00 C ATOM 183 C VAL A 16 5.259 -4.184 -8.922 1.00 0.00 C ATOM 184 O VAL A 16 4.285 -4.848 -9.275 1.00 0.00 O ATOM 185 CB VAL A 16 7.107 -3.882 -10.572 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.625 -5.031 -11.444 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.899 -2.875 -11.392 1.00 0.00 C ATOM 0 H VAL A 16 7.293 -2.017 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 16 5.193 -2.886 -10.632 1.00 0.00 H new ATOM 0 HB VAL A 16 7.766 -4.291 -9.806 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.480 -5.505 -11.927 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.105 -5.763 -10.826 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.944 -4.650 -12.205 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.736 -3.378 -11.876 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.252 -2.435 -12.151 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.277 -2.090 -10.737 1.00 0.00 H new ATOM 197 N TRP A 17 5.798 -4.277 -7.712 1.00 0.00 N ATOM 198 CA TRP A 17 5.263 -5.186 -6.705 1.00 0.00 C ATOM 199 C TRP A 17 3.787 -4.904 -6.446 1.00 0.00 C ATOM 200 O TRP A 17 2.988 -5.827 -6.285 1.00 0.00 O ATOM 201 CB TRP A 17 6.055 -5.060 -5.402 1.00 0.00 C ATOM 202 CG TRP A 17 5.677 -6.085 -4.376 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.103 -7.381 -4.317 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.795 -5.899 -3.263 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.539 -8.012 -3.234 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.733 -7.125 -2.572 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.053 -4.817 -2.783 1.00 0.00 C ATOM 208 CZ2 TRP A 17 3.958 -7.295 -1.427 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.284 -4.987 -1.648 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.242 -6.218 -0.980 1.00 0.00 C ATOM 0 H TRP A 17 6.605 -3.734 -7.404 1.00 0.00 H new ATOM 0 HA TRP A 17 5.358 -6.204 -7.083 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.119 -5.151 -5.621 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.900 -4.065 -4.985 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.783 -7.842 -5.018 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.696 -8.984 -2.967 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.080 -3.864 -3.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.924 -8.243 -0.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.706 -4.157 -1.269 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.632 -6.319 -0.094 1.00 0.00 H new ATOM 221 N CYS A 18 3.432 -3.624 -6.409 1.00 0.00 N ATOM 222 CA CYS A 18 2.051 -3.221 -6.169 1.00 0.00 C ATOM 223 C CYS A 18 1.203 -3.412 -7.423 1.00 0.00 C ATOM 224 O CYS A 18 0.169 -4.080 -7.391 1.00 0.00 O ATOM 225 CB CYS A 18 1.995 -1.761 -5.718 1.00 0.00 C ATOM 226 SG CYS A 18 3.048 -0.650 -6.680 1.00 0.00 S ATOM 0 H CYS A 18 4.081 -2.848 -6.542 1.00 0.00 H new ATOM 0 HA CYS A 18 1.646 -3.853 -5.379 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.964 -1.412 -5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.288 -1.704 -4.670 1.00 0.00 H new ATOM 0 HG CYS A 18 4.287 -1.028 -6.575 1.00 0.00 H new ATOM 232 N LYS A 19 1.647 -2.819 -8.526 1.00 0.00 N ATOM 233 CA LYS A 19 0.930 -2.922 -9.792 1.00 0.00 C ATOM 234 C LYS A 19 0.761 -4.381 -10.204 1.00 0.00 C ATOM 235 O LYS A 19 -0.137 -4.716 -10.975 1.00 0.00 O ATOM 236 CB LYS A 19 1.675 -2.155 -10.887 1.00 0.00 C ATOM 237 CG LYS A 19 1.665 -0.649 -10.689 1.00 0.00 C ATOM 238 CD LYS A 19 2.741 0.030 -11.521 1.00 0.00 C ATOM 239 CE LYS A 19 2.254 0.319 -12.932 1.00 0.00 C ATOM 240 NZ LYS A 19 1.513 1.609 -13.010 1.00 0.00 N ATOM 0 H LYS A 19 2.500 -2.262 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.059 -2.484 -9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.708 -2.501 -10.923 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.226 -2.389 -11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.688 -0.252 -10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.819 -0.419 -9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.041 0.961 -11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.625 -0.606 -11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.106 0.348 -13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.607 -0.492 -13.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.198 1.770 -13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.686 1.573 -12.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.138 2.387 -12.716 1.00 0.00 H new ATOM 254 N GLU A 20 1.628 -5.243 -9.682 1.00 0.00 N ATOM 255 CA GLU A 20 1.572 -6.666 -9.997 1.00 0.00 C ATOM 256 C GLU A 20 0.462 -7.354 -9.207 1.00 0.00 C ATOM 257 O GLU A 20 -0.429 -7.978 -9.783 1.00 0.00 O ATOM 258 CB GLU A 20 2.916 -7.331 -9.693 1.00 0.00 C ATOM 259 CG GLU A 20 2.992 -8.782 -10.139 1.00 0.00 C ATOM 260 CD GLU A 20 4.329 -9.421 -9.819 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.362 -8.908 -10.297 1.00 0.00 O ATOM 262 OE2 GLU A 20 4.342 -10.435 -9.091 1.00 0.00 O ATOM 0 H GLU A 20 2.376 -4.982 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 20 1.356 -6.769 -11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.710 -6.767 -10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.103 -7.279 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.197 -9.349 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.815 -8.838 -11.213 1.00 0.00 H new ATOM 269 N VAL A 21 0.524 -7.236 -7.885 1.00 0.00 N ATOM 270 CA VAL A 21 -0.475 -7.845 -7.015 1.00 0.00 C ATOM 271 C VAL A 21 -1.862 -7.273 -7.286 1.00 0.00 C ATOM 272 O VAL A 21 -2.876 -7.907 -6.993 1.00 0.00 O ATOM 273 CB VAL A 21 -0.127 -7.638 -5.529 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.343 -7.935 -5.279 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.476 -6.223 -5.093 1.00 0.00 C ATOM 0 H VAL A 21 1.256 -6.724 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.477 -8.913 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.719 -8.333 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.571 -7.783 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.557 -8.969 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.957 -7.266 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.224 -6.094 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.088 -5.508 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.543 -6.052 -5.234 1.00 0.00 H new ATOM 285 N THR A 22 -1.900 -6.068 -7.848 1.00 0.00 N ATOM 286 CA THR A 22 -3.162 -5.409 -8.158 1.00 0.00 C ATOM 287 C THR A 22 -3.487 -5.514 -9.643 1.00 0.00 C ATOM 288 O THR A 22 -4.270 -4.727 -10.175 1.00 0.00 O ATOM 289 CB THR A 22 -3.133 -3.922 -7.754 1.00 0.00 C ATOM 290 OG1 THR A 22 -2.185 -3.214 -8.560 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.773 -3.768 -6.284 1.00 0.00 C ATOM 0 H THR A 22 -1.071 -5.529 -8.097 1.00 0.00 H new ATOM 0 HA THR A 22 -3.935 -5.919 -7.583 1.00 0.00 H new ATOM 0 HB THR A 22 -4.127 -3.505 -7.914 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.278 -3.411 -8.247 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.759 -2.710 -6.022 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.513 -4.283 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.789 -4.200 -6.103 1.00 0.00 H new ATOM 299 N LYS A 23 -2.881 -6.491 -10.309 1.00 0.00 N ATOM 300 CA LYS A 23 -3.107 -6.702 -11.734 1.00 0.00 C ATOM 301 C LYS A 23 -4.581 -6.976 -12.016 1.00 0.00 C ATOM 302 O LYS A 23 -5.137 -7.970 -11.551 1.00 0.00 O ATOM 303 CB LYS A 23 -2.255 -7.867 -12.240 1.00 0.00 C ATOM 304 CG LYS A 23 -0.872 -7.450 -12.709 1.00 0.00 C ATOM 305 CD LYS A 23 0.085 -8.630 -12.745 1.00 0.00 C ATOM 306 CE LYS A 23 -0.193 -9.537 -13.934 1.00 0.00 C ATOM 307 NZ LYS A 23 1.026 -10.277 -14.363 1.00 0.00 N ATOM 0 H LYS A 23 -2.229 -7.150 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.817 -5.793 -12.261 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.153 -8.604 -11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.776 -8.357 -13.063 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.942 -7.007 -13.702 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.478 -6.681 -12.044 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.111 -8.266 -12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.005 -9.201 -11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.977 -10.248 -13.673 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.568 -8.941 -14.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.796 -10.884 -15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.766 -9.599 -14.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.369 -10.866 -13.577 1.00 0.00 H new ATOM 321 N ASN A 24 -5.207 -6.089 -12.783 1.00 0.00 N ATOM 322 CA ASN A 24 -6.617 -6.237 -13.128 1.00 0.00 C ATOM 323 C ASN A 24 -7.498 -6.079 -11.893 1.00 0.00 C ATOM 324 O ASN A 24 -8.324 -6.942 -11.592 1.00 0.00 O ATOM 325 CB ASN A 24 -6.864 -7.601 -13.774 1.00 0.00 C ATOM 326 CG ASN A 24 -5.734 -8.018 -14.695 1.00 0.00 C ATOM 327 OD1 ASN A 24 -4.869 -8.901 -14.208 1.00 0.00 O flip ATOM 328 ND2 ASN A 24 -5.640 -7.553 -15.831 1.00 0.00 N flip ATOM 0 H ASN A 24 -4.761 -5.261 -13.177 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.876 -5.453 -13.840 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.989 -8.352 -12.994 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.796 -7.569 -14.338 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.327 -6.877 -16.164 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.875 -7.844 -16.439 1.00 0.00 H new ATOM 335 N TYR A 25 -7.319 -4.972 -11.182 1.00 0.00 N ATOM 336 CA TYR A 25 -8.096 -4.701 -9.978 1.00 0.00 C ATOM 337 C TYR A 25 -9.018 -3.503 -10.183 1.00 0.00 C ATOM 338 O TYR A 25 -9.042 -2.901 -11.257 1.00 0.00 O ATOM 339 CB TYR A 25 -7.166 -4.446 -8.791 1.00 0.00 C ATOM 340 CG TYR A 25 -6.669 -5.711 -8.128 1.00 0.00 C ATOM 341 CD1 TYR A 25 -5.989 -6.680 -8.856 1.00 0.00 C ATOM 342 CD2 TYR A 25 -6.880 -5.937 -6.774 1.00 0.00 C ATOM 343 CE1 TYR A 25 -5.535 -7.837 -8.255 1.00 0.00 C ATOM 344 CE2 TYR A 25 -6.428 -7.091 -6.163 1.00 0.00 C ATOM 345 CZ TYR A 25 -5.756 -8.038 -6.908 1.00 0.00 C ATOM 346 OH TYR A 25 -5.304 -9.190 -6.305 1.00 0.00 O ATOM 0 H TYR A 25 -6.642 -4.247 -11.419 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.709 -5.577 -9.768 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.310 -3.863 -9.130 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.691 -3.841 -8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.813 -6.525 -9.910 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.407 -5.198 -6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.010 -8.581 -8.836 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.600 -7.251 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.338 -9.122 -6.152 1.00 0.00 H new ATOM 356 N ARG A 26 -9.775 -3.163 -9.145 1.00 0.00 N ATOM 357 CA ARG A 26 -10.699 -2.037 -9.210 1.00 0.00 C ATOM 358 C ARG A 26 -9.942 -0.712 -9.225 1.00 0.00 C ATOM 359 O ARG A 26 -9.393 -0.288 -8.209 1.00 0.00 O ATOM 360 CB ARG A 26 -11.663 -2.073 -8.023 1.00 0.00 C ATOM 361 CG ARG A 26 -12.864 -1.155 -8.186 1.00 0.00 C ATOM 362 CD ARG A 26 -14.014 -1.862 -8.886 1.00 0.00 C ATOM 363 NE ARG A 26 -14.573 -2.937 -8.071 1.00 0.00 N ATOM 364 CZ ARG A 26 -15.539 -3.749 -8.487 1.00 0.00 C ATOM 365 NH1 ARG A 26 -16.050 -3.609 -9.702 1.00 0.00 N ATOM 366 NH2 ARG A 26 -15.994 -4.705 -7.686 1.00 0.00 N ATOM 0 H ARG A 26 -9.767 -3.651 -8.249 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.269 -2.120 -10.135 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.014 -3.095 -7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.123 -1.794 -7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.192 -0.806 -7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.575 -0.274 -8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.796 -1.139 -9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.665 -2.270 -9.835 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.202 -3.072 -7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.702 -2.876 -10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.791 -4.234 -10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.602 -4.816 -6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.736 -5.328 -8.006 1.00 0.00 H new ATOM 380 N GLY A 27 -9.917 -0.064 -10.385 1.00 0.00 N ATOM 381 CA GLY A 27 -9.224 1.206 -10.511 1.00 0.00 C ATOM 382 C GLY A 27 -7.955 1.257 -9.684 1.00 0.00 C ATOM 383 O GLY A 27 -7.903 1.930 -8.654 1.00 0.00 O ATOM 0 H GLY A 27 -10.364 -0.395 -11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.979 1.380 -11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.889 2.012 -10.201 1.00 0.00 H new ATOM 387 N VAL A 28 -6.927 0.544 -10.134 1.00 0.00 N ATOM 388 CA VAL A 28 -5.652 0.511 -9.428 1.00 0.00 C ATOM 389 C VAL A 28 -4.508 0.938 -10.341 1.00 0.00 C ATOM 390 O VAL A 28 -3.934 0.120 -11.061 1.00 0.00 O ATOM 391 CB VAL A 28 -5.354 -0.894 -8.873 1.00 0.00 C ATOM 392 CG1 VAL A 28 -4.098 -0.874 -8.015 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.543 -1.417 -8.081 1.00 0.00 C ATOM 0 H VAL A 28 -6.953 -0.019 -10.984 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.732 1.212 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.181 -1.568 -9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.903 -1.876 -7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.251 -0.545 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.238 -0.187 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.315 -2.411 -7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.750 -0.744 -7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.417 -1.471 -8.730 1.00 0.00 H new ATOM 403 N LYS A 29 -4.179 2.225 -10.306 1.00 0.00 N ATOM 404 CA LYS A 29 -3.101 2.763 -11.128 1.00 0.00 C ATOM 405 C LYS A 29 -2.039 3.432 -10.262 1.00 0.00 C ATOM 406 O LYS A 29 -2.215 4.565 -9.812 1.00 0.00 O ATOM 407 CB LYS A 29 -3.657 3.767 -12.140 1.00 0.00 C ATOM 408 CG LYS A 29 -2.590 4.404 -13.013 1.00 0.00 C ATOM 409 CD LYS A 29 -1.809 3.359 -13.791 1.00 0.00 C ATOM 410 CE LYS A 29 -1.296 3.914 -15.111 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.407 4.201 -16.061 1.00 0.00 N ATOM 0 H LYS A 29 -4.644 2.916 -9.717 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.638 1.935 -11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.383 3.263 -12.778 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.193 4.551 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.056 5.103 -13.708 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.907 4.982 -12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.969 3.010 -13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.445 2.495 -13.981 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.731 4.828 -14.926 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.608 3.200 -15.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.045 4.180 -17.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.151 3.482 -15.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.803 5.141 -15.859 1.00 0.00 H new ATOM 425 N ILE A 30 -0.936 2.726 -10.035 1.00 0.00 N ATOM 426 CA ILE A 30 0.155 3.254 -9.226 1.00 0.00 C ATOM 427 C ILE A 30 1.131 4.060 -10.077 1.00 0.00 C ATOM 428 O ILE A 30 2.274 3.652 -10.286 1.00 0.00 O ATOM 429 CB ILE A 30 0.924 2.126 -8.513 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.022 1.320 -7.620 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.071 2.701 -7.696 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.770 0.233 -8.359 1.00 0.00 C ATOM 0 H ILE A 30 -0.775 1.787 -10.400 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.295 3.906 -8.477 1.00 0.00 H new ATOM 0 HB ILE A 30 1.340 1.457 -9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.552 0.869 -6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.742 1.998 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.605 1.891 -7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.755 3.235 -8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.676 3.389 -6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.421 -0.297 -7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.371 0.679 -9.151 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.057 -0.467 -8.795 1.00 0.00 H new ATOM 444 N THR A 31 0.672 5.208 -10.566 1.00 0.00 N ATOM 445 CA THR A 31 1.504 6.072 -11.394 1.00 0.00 C ATOM 446 C THR A 31 2.454 6.904 -10.539 1.00 0.00 C ATOM 447 O THR A 31 3.407 7.492 -11.048 1.00 0.00 O ATOM 448 CB THR A 31 0.647 7.018 -12.257 1.00 0.00 C ATOM 449 OG1 THR A 31 -0.211 6.256 -13.114 1.00 0.00 O ATOM 450 CG2 THR A 31 1.527 7.933 -13.095 1.00 0.00 C ATOM 0 H THR A 31 -0.271 5.561 -10.403 1.00 0.00 H new ATOM 0 HA THR A 31 2.084 5.420 -12.048 1.00 0.00 H new ATOM 0 HB THR A 31 0.042 7.633 -11.591 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.754 6.864 -13.658 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.899 8.591 -13.696 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.158 8.532 -12.439 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.155 7.332 -13.752 1.00 0.00 H new ATOM 458 N ASN A 32 2.187 6.948 -9.238 1.00 0.00 N ATOM 459 CA ASN A 32 3.019 7.708 -8.312 1.00 0.00 C ATOM 460 C ASN A 32 2.983 7.092 -6.917 1.00 0.00 C ATOM 461 O ASN A 32 2.271 6.117 -6.675 1.00 0.00 O ATOM 462 CB ASN A 32 2.552 9.164 -8.252 1.00 0.00 C ATOM 463 CG ASN A 32 2.099 9.682 -9.603 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.909 9.873 -10.510 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.799 9.913 -9.742 1.00 0.00 N ATOM 0 H ASN A 32 1.401 6.466 -8.801 1.00 0.00 H new ATOM 0 HA ASN A 32 4.046 7.678 -8.676 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.732 9.251 -7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.365 9.788 -7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.435 10.263 -10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.164 9.740 -8.963 1.00 0.00 H new ATOM 472 N PHE A 33 3.756 7.668 -6.002 1.00 0.00 N ATOM 473 CA PHE A 33 3.813 7.176 -4.630 1.00 0.00 C ATOM 474 C PHE A 33 3.298 8.229 -3.653 1.00 0.00 C ATOM 475 O PHE A 33 3.786 8.341 -2.528 1.00 0.00 O ATOM 476 CB PHE A 33 5.246 6.784 -4.266 1.00 0.00 C ATOM 477 CG PHE A 33 5.637 5.419 -4.757 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.907 4.301 -4.388 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.734 5.254 -5.587 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.265 3.044 -4.837 1.00 0.00 C ATOM 481 CE2 PHE A 33 7.097 4.000 -6.040 1.00 0.00 C ATOM 482 CZ PHE A 33 6.360 2.893 -5.665 1.00 0.00 C ATOM 0 H PHE A 33 4.351 8.476 -6.186 1.00 0.00 H new ATOM 0 HA PHE A 33 3.174 6.296 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.933 7.521 -4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.359 6.818 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.049 4.413 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.313 6.116 -5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.689 2.180 -4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.955 3.885 -6.686 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.640 1.912 -6.019 1.00 0.00 H new ATOM 492 N THR A 34 2.308 9.001 -4.091 1.00 0.00 N ATOM 493 CA THR A 34 1.728 10.046 -3.258 1.00 0.00 C ATOM 494 C THR A 34 0.205 9.972 -3.264 1.00 0.00 C ATOM 495 O THR A 34 -0.413 9.574 -2.276 1.00 0.00 O ATOM 496 CB THR A 34 2.164 11.446 -3.727 1.00 0.00 C ATOM 497 OG1 THR A 34 1.927 11.589 -5.132 1.00 0.00 O ATOM 498 CG2 THR A 34 3.638 11.682 -3.430 1.00 0.00 C ATOM 0 H THR A 34 1.891 8.922 -5.019 1.00 0.00 H new ATOM 0 HA THR A 34 2.093 9.881 -2.244 1.00 0.00 H new ATOM 0 HB THR A 34 1.577 12.186 -3.183 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.206 12.483 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.923 12.678 -3.770 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.810 11.602 -2.357 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.238 10.935 -3.950 1.00 0.00 H new ATOM 506 N THR A 35 -0.397 10.357 -4.385 1.00 0.00 N ATOM 507 CA THR A 35 -1.848 10.335 -4.521 1.00 0.00 C ATOM 508 C THR A 35 -2.361 8.912 -4.704 1.00 0.00 C ATOM 509 O THR A 35 -3.242 8.460 -3.973 1.00 0.00 O ATOM 510 CB THR A 35 -2.314 11.195 -5.711 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.738 10.703 -6.926 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.924 12.652 -5.512 1.00 0.00 C ATOM 0 H THR A 35 0.099 10.688 -5.213 1.00 0.00 H new ATOM 0 HA THR A 35 -2.258 10.750 -3.600 1.00 0.00 H new ATOM 0 HB THR A 35 -3.400 11.132 -5.773 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.040 11.254 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.264 13.239 -6.365 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.388 13.032 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.840 12.730 -5.426 1.00 0.00 H new ATOM 520 N SER A 36 -1.804 8.209 -5.686 1.00 0.00 N ATOM 521 CA SER A 36 -2.209 6.836 -5.968 1.00 0.00 C ATOM 522 C SER A 36 -2.452 6.065 -4.674 1.00 0.00 C ATOM 523 O SER A 36 -3.216 5.100 -4.648 1.00 0.00 O ATOM 524 CB SER A 36 -1.140 6.129 -6.803 1.00 0.00 C ATOM 525 OG SER A 36 -1.383 6.297 -8.189 1.00 0.00 O ATOM 0 H SER A 36 -1.072 8.567 -6.299 1.00 0.00 H new ATOM 0 HA SER A 36 -3.141 6.866 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.156 6.526 -6.552 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.127 5.067 -6.559 1.00 0.00 H new ATOM 0 HG SER A 36 -2.009 5.609 -8.497 1.00 0.00 H new ATOM 531 N TRP A 37 -1.797 6.498 -3.603 1.00 0.00 N ATOM 532 CA TRP A 37 -1.942 5.849 -2.305 1.00 0.00 C ATOM 533 C TRP A 37 -2.760 6.714 -1.352 1.00 0.00 C ATOM 534 O TRP A 37 -3.398 6.204 -0.430 1.00 0.00 O ATOM 535 CB TRP A 37 -0.566 5.562 -1.699 1.00 0.00 C ATOM 536 CG TRP A 37 0.356 4.841 -2.635 1.00 0.00 C ATOM 537 CD1 TRP A 37 1.144 5.398 -3.600 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.583 3.429 -2.694 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.848 4.418 -4.257 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.523 3.201 -3.719 1.00 0.00 C ATOM 541 CE3 TRP A 37 0.087 2.335 -1.980 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.972 1.924 -4.045 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.534 1.068 -2.305 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.469 0.871 -3.330 1.00 0.00 C ATOM 0 H TRP A 37 -1.161 7.295 -3.608 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.470 4.907 -2.454 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.105 6.503 -1.400 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.692 4.967 -0.794 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.205 6.454 -3.816 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.506 4.572 -5.021 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.633 2.477 -1.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.692 1.770 -4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.156 0.216 -1.760 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.799 -0.131 -3.560 1.00 0.00 H new ATOM 555 N ARG A 38 -2.738 8.023 -1.580 1.00 0.00 N ATOM 556 CA ARG A 38 -3.478 8.957 -0.741 1.00 0.00 C ATOM 557 C ARG A 38 -4.815 8.360 -0.310 1.00 0.00 C ATOM 558 O ARG A 38 -5.111 8.271 0.880 1.00 0.00 O ATOM 559 CB ARG A 38 -3.711 10.272 -1.487 1.00 0.00 C ATOM 560 CG ARG A 38 -4.709 11.192 -0.803 1.00 0.00 C ATOM 561 CD ARG A 38 -4.399 12.655 -1.082 1.00 0.00 C ATOM 562 NE ARG A 38 -5.080 13.139 -2.280 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.344 13.545 -2.293 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.062 13.525 -1.179 1.00 0.00 N ATOM 565 NH2 ARG A 38 -6.893 13.973 -3.423 1.00 0.00 N ATOM 0 H ARG A 38 -2.216 8.461 -2.339 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.883 9.154 0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.760 10.794 -1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.065 10.051 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.716 10.960 -1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.692 11.014 0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.699 13.259 -0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.323 12.782 -1.200 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.556 13.167 -3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.644 13.197 -0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.033 13.838 -1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.344 13.990 -4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.864 14.285 -3.432 1.00 0.00 H new ATOM 579 N ASN A 39 -5.618 7.954 -1.288 1.00 0.00 N ATOM 580 CA ASN A 39 -6.923 7.366 -1.010 1.00 0.00 C ATOM 581 C ASN A 39 -6.791 6.152 -0.096 1.00 0.00 C ATOM 582 O ASN A 39 -7.367 6.114 0.990 1.00 0.00 O ATOM 583 CB ASN A 39 -7.612 6.963 -2.316 1.00 0.00 C ATOM 584 CG ASN A 39 -6.650 6.341 -3.309 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.449 6.250 -3.053 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.174 5.909 -4.450 1.00 0.00 N ATOM 0 H ASN A 39 -5.388 8.021 -2.279 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.530 8.115 -0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.412 6.256 -2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.076 7.841 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.575 5.481 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.175 6.005 -4.620 1.00 0.00 H new ATOM 593 N GLY A 40 -6.025 5.162 -0.544 1.00 0.00 N ATOM 594 CA GLY A 40 -5.830 3.960 0.246 1.00 0.00 C ATOM 595 C GLY A 40 -6.179 2.699 -0.520 1.00 0.00 C ATOM 596 O GLY A 40 -6.089 1.594 0.015 1.00 0.00 O ATOM 0 H GLY A 40 -5.536 5.171 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.791 3.908 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.443 4.017 1.145 1.00 0.00 H new ATOM 600 N LEU A 41 -6.581 2.864 -1.775 1.00 0.00 N ATOM 601 CA LEU A 41 -6.947 1.730 -2.617 1.00 0.00 C ATOM 602 C LEU A 41 -5.815 0.710 -2.679 1.00 0.00 C ATOM 603 O LEU A 41 -5.946 -0.408 -2.181 1.00 0.00 O ATOM 604 CB LEU A 41 -7.297 2.208 -4.027 1.00 0.00 C ATOM 605 CG LEU A 41 -8.621 2.958 -4.173 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.844 3.372 -5.620 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.777 2.102 -3.677 1.00 0.00 C ATOM 0 H LEU A 41 -6.662 3.772 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.820 1.249 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.495 2.857 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.319 1.341 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.575 3.859 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.791 3.905 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.032 4.024 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.869 2.485 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.711 2.652 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.825 1.183 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.624 1.857 -2.626 1.00 0.00 H new ATOM 619 N SER A 42 -4.703 1.104 -3.292 1.00 0.00 N ATOM 620 CA SER A 42 -3.548 0.223 -3.420 1.00 0.00 C ATOM 621 C SER A 42 -3.251 -0.479 -2.099 1.00 0.00 C ATOM 622 O SER A 42 -3.123 -1.702 -2.048 1.00 0.00 O ATOM 623 CB SER A 42 -2.323 1.018 -3.876 1.00 0.00 C ATOM 624 OG SER A 42 -2.651 1.896 -4.938 1.00 0.00 O ATOM 0 H SER A 42 -4.578 2.027 -3.708 1.00 0.00 H new ATOM 0 HA SER A 42 -3.780 -0.534 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.924 1.589 -3.038 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.539 0.332 -4.196 1.00 0.00 H new ATOM 0 HG SER A 42 -2.819 2.793 -4.581 1.00 0.00 H new ATOM 630 N PHE A 43 -3.143 0.305 -1.031 1.00 0.00 N ATOM 631 CA PHE A 43 -2.859 -0.240 0.292 1.00 0.00 C ATOM 632 C PHE A 43 -3.739 -1.453 0.580 1.00 0.00 C ATOM 633 O PHE A 43 -3.253 -2.494 1.026 1.00 0.00 O ATOM 634 CB PHE A 43 -3.077 0.829 1.365 1.00 0.00 C ATOM 635 CG PHE A 43 -1.889 1.724 1.569 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.617 1.191 1.698 1.00 0.00 C ATOM 637 CD2 PHE A 43 -2.044 3.100 1.631 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.478 2.013 1.887 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.953 3.927 1.819 1.00 0.00 C ATOM 640 CZ PHE A 43 0.310 3.383 1.946 1.00 0.00 C ATOM 0 H PHE A 43 -3.248 1.319 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.816 -0.556 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.938 1.438 1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.320 0.341 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.479 0.121 1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.029 3.531 1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.464 1.585 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.088 4.997 1.867 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.165 4.027 2.091 1.00 0.00 H new ATOM 650 N CYS A 44 -5.034 -1.311 0.323 1.00 0.00 N ATOM 651 CA CYS A 44 -5.983 -2.395 0.556 1.00 0.00 C ATOM 652 C CYS A 44 -5.829 -3.488 -0.496 1.00 0.00 C ATOM 653 O CYS A 44 -5.571 -4.646 -0.169 1.00 0.00 O ATOM 654 CB CYS A 44 -7.415 -1.857 0.545 1.00 0.00 C ATOM 655 SG CYS A 44 -7.809 -0.778 1.941 1.00 0.00 S ATOM 0 H CYS A 44 -5.451 -0.457 -0.047 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.772 -2.826 1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.578 -1.308 -0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.108 -2.698 0.543 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.367 0.421 1.701 1.00 0.00 H new ATOM 661 N ALA A 45 -5.991 -3.112 -1.761 1.00 0.00 N ATOM 662 CA ALA A 45 -5.869 -4.060 -2.861 1.00 0.00 C ATOM 663 C ALA A 45 -4.709 -5.023 -2.631 1.00 0.00 C ATOM 664 O ALA A 45 -4.853 -6.234 -2.801 1.00 0.00 O ATOM 665 CB ALA A 45 -5.690 -3.320 -4.178 1.00 0.00 C ATOM 0 H ALA A 45 -6.207 -2.158 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.788 -4.645 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.600 -4.041 -4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.553 -2.679 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.788 -2.710 -4.133 1.00 0.00 H new ATOM 671 N ILE A 46 -3.561 -4.477 -2.244 1.00 0.00 N ATOM 672 CA ILE A 46 -2.377 -5.288 -1.990 1.00 0.00 C ATOM 673 C ILE A 46 -2.663 -6.368 -0.952 1.00 0.00 C ATOM 674 O ILE A 46 -2.436 -7.554 -1.195 1.00 0.00 O ATOM 675 CB ILE A 46 -1.197 -4.426 -1.505 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.626 -3.606 -2.665 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.118 -5.303 -0.888 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.333 -2.523 -2.224 1.00 0.00 C ATOM 0 H ILE A 46 -3.426 -3.476 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.108 -5.758 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.559 -3.738 -0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.113 -4.276 -3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.448 -3.150 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.709 -4.679 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.532 -5.847 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.244 -6.013 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.698 -1.983 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.182 -1.831 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.175 -2.974 -1.699 1.00 0.00 H new ATOM 690 N LEU A 47 -3.164 -5.951 0.205 1.00 0.00 N ATOM 691 CA LEU A 47 -3.483 -6.882 1.282 1.00 0.00 C ATOM 692 C LEU A 47 -4.618 -7.816 0.874 1.00 0.00 C ATOM 693 O LEU A 47 -4.754 -8.916 1.411 1.00 0.00 O ATOM 694 CB LEU A 47 -3.868 -6.116 2.549 1.00 0.00 C ATOM 695 CG LEU A 47 -4.101 -6.963 3.800 1.00 0.00 C ATOM 696 CD1 LEU A 47 -2.787 -7.534 4.311 1.00 0.00 C ATOM 697 CD2 LEU A 47 -4.783 -6.139 4.882 1.00 0.00 C ATOM 0 H LEU A 47 -3.358 -4.973 0.422 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.596 -7.483 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.082 -5.393 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.776 -5.548 2.345 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.756 -7.793 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.973 -8.134 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.338 -8.159 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.108 -6.718 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.941 -6.758 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.153 -5.288 5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.744 -5.780 4.514 1.00 0.00 H new ATOM 709 N HIS A 48 -5.430 -7.372 -0.080 1.00 0.00 N ATOM 710 CA HIS A 48 -6.552 -8.170 -0.562 1.00 0.00 C ATOM 711 C HIS A 48 -6.081 -9.220 -1.563 1.00 0.00 C ATOM 712 O HIS A 48 -6.766 -10.215 -1.803 1.00 0.00 O ATOM 713 CB HIS A 48 -7.606 -7.269 -1.208 1.00 0.00 C ATOM 714 CG HIS A 48 -8.925 -7.946 -1.419 1.00 0.00 C ATOM 715 ND1 HIS A 48 -10.089 -7.850 -0.735 1.00 0.00 N flip ATOM 716 CD2 HIS A 48 -9.153 -8.849 -2.436 1.00 0.00 C flip ATOM 717 CE1 HIS A 48 -10.991 -8.686 -1.346 1.00 0.00 C flip ATOM 718 NE2 HIS A 48 -10.401 -9.277 -2.369 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.332 -6.464 -0.535 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.996 -8.681 0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.754 -6.390 -0.581 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.231 -6.916 -2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.425 -9.158 -3.172 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -12.016 -8.836 -1.040 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.835 -9.950 -3.001 1.00 0.00 H new ATOM 727 N HIS A 49 -4.909 -8.992 -2.146 1.00 0.00 N ATOM 728 CA HIS A 49 -4.347 -9.919 -3.122 1.00 0.00 C ATOM 729 C HIS A 49 -4.043 -11.268 -2.478 1.00 0.00 C ATOM 730 O HIS A 49 -4.385 -12.318 -3.022 1.00 0.00 O ATOM 731 CB HIS A 49 -3.073 -9.336 -3.736 1.00 0.00 C ATOM 732 CG HIS A 49 -2.455 -10.214 -4.779 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.172 -10.767 -5.820 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.178 -10.634 -4.940 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.363 -11.489 -6.574 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.148 -11.425 -6.062 1.00 0.00 N ATOM 0 H HIS A 49 -4.330 -8.173 -1.960 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.085 -10.070 -3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.303 -8.367 -4.179 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.345 -9.160 -2.944 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.171 -10.638 -5.982 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.339 -10.392 -4.304 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.647 -12.039 -7.459 1.00 0.00 H new ATOM 745 N PHE A 50 -3.399 -11.232 -1.316 1.00 0.00 N ATOM 746 CA PHE A 50 -3.048 -12.452 -0.599 1.00 0.00 C ATOM 747 C PHE A 50 -4.228 -12.956 0.227 1.00 0.00 C ATOM 748 O PHE A 50 -4.518 -14.152 0.248 1.00 0.00 O ATOM 749 CB PHE A 50 -1.843 -12.205 0.312 1.00 0.00 C ATOM 750 CG PHE A 50 -0.763 -11.383 -0.333 1.00 0.00 C ATOM 751 CD1 PHE A 50 -0.871 -10.003 -0.397 1.00 0.00 C ATOM 752 CD2 PHE A 50 0.359 -11.990 -0.874 1.00 0.00 C ATOM 753 CE1 PHE A 50 0.121 -9.244 -0.990 1.00 0.00 C ATOM 754 CE2 PHE A 50 1.353 -11.236 -1.468 1.00 0.00 C ATOM 755 CZ PHE A 50 1.235 -9.861 -1.525 1.00 0.00 C ATOM 0 H PHE A 50 -3.110 -10.371 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.789 -13.214 -1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.180 -11.701 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.425 -13.164 0.617 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.739 -9.515 0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.458 -13.065 -0.831 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.025 -8.169 -1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.222 -11.722 -1.887 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.012 -9.270 -1.987 1.00 0.00 H new ATOM 765 N ARG A 51 -4.904 -12.035 0.906 1.00 0.00 N ATOM 766 CA ARG A 51 -6.051 -12.385 1.734 1.00 0.00 C ATOM 767 C ARG A 51 -7.226 -11.451 1.459 1.00 0.00 C ATOM 768 O ARG A 51 -7.352 -10.381 2.053 1.00 0.00 O ATOM 769 CB ARG A 51 -5.674 -12.325 3.216 1.00 0.00 C ATOM 770 CG ARG A 51 -6.453 -13.302 4.082 1.00 0.00 C ATOM 771 CD ARG A 51 -6.377 -14.718 3.531 1.00 0.00 C ATOM 772 NE ARG A 51 -6.674 -15.719 4.552 1.00 0.00 N ATOM 773 CZ ARG A 51 -6.647 -17.028 4.327 1.00 0.00 C ATOM 774 NH1 ARG A 51 -6.338 -17.491 3.124 1.00 0.00 N ATOM 775 NH2 ARG A 51 -6.930 -17.876 5.308 1.00 0.00 N ATOM 0 H ARG A 51 -4.677 -11.041 0.899 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.352 -13.402 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.609 -12.530 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.841 -11.313 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.058 -13.284 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.495 -12.988 4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.080 -14.824 2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.381 -14.897 3.127 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.915 -15.396 5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.120 -16.842 2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.318 -18.497 2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.168 -17.523 6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.909 -18.881 5.135 1.00 0.00 H new ATOM 789 N PRO A 52 -8.107 -11.865 0.536 1.00 0.00 N ATOM 790 CA PRO A 52 -9.287 -11.080 0.161 1.00 0.00 C ATOM 791 C PRO A 52 -10.328 -11.030 1.274 1.00 0.00 C ATOM 792 O PRO A 52 -11.322 -10.310 1.176 1.00 0.00 O ATOM 793 CB PRO A 52 -9.839 -11.829 -1.055 1.00 0.00 C ATOM 794 CG PRO A 52 -9.360 -13.229 -0.887 1.00 0.00 C ATOM 795 CD PRO A 52 -8.019 -13.130 -0.212 1.00 0.00 C ATOM 0 HA PRO A 52 -9.037 -10.038 -0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.928 -11.784 -1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.475 -11.395 -1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.058 -13.811 -0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.276 -13.731 -1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.839 -13.977 0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.205 -13.113 -0.936 1.00 0.00 H new ATOM 803 N ASP A 53 -10.094 -11.799 2.331 1.00 0.00 N ATOM 804 CA ASP A 53 -11.011 -11.841 3.464 1.00 0.00 C ATOM 805 C ASP A 53 -10.543 -10.909 4.577 1.00 0.00 C ATOM 806 O ASP A 53 -11.310 -10.564 5.477 1.00 0.00 O ATOM 807 CB ASP A 53 -11.133 -13.270 3.996 1.00 0.00 C ATOM 808 CG ASP A 53 -9.794 -13.979 4.062 1.00 0.00 C ATOM 809 OD1 ASP A 53 -9.327 -14.464 3.010 1.00 0.00 O ATOM 810 OD2 ASP A 53 -9.214 -14.049 5.165 1.00 0.00 O ATOM 0 H ASP A 53 -9.277 -12.402 2.427 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.989 -11.505 3.121 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.579 -13.248 4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.810 -13.836 3.356 1.00 0.00 H new ATOM 815 N LEU A 54 -9.279 -10.506 4.512 1.00 0.00 N ATOM 816 CA LEU A 54 -8.707 -9.614 5.515 1.00 0.00 C ATOM 817 C LEU A 54 -9.327 -8.223 5.423 1.00 0.00 C ATOM 818 O LEU A 54 -9.572 -7.574 6.440 1.00 0.00 O ATOM 819 CB LEU A 54 -7.190 -9.521 5.338 1.00 0.00 C ATOM 820 CG LEU A 54 -6.361 -10.541 6.119 1.00 0.00 C ATOM 821 CD1 LEU A 54 -4.880 -10.368 5.817 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.621 -10.410 7.612 1.00 0.00 C ATOM 0 H LEU A 54 -8.630 -10.783 3.775 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.927 -10.026 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.960 -9.631 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.870 -8.521 5.632 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.661 -11.541 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.305 -11.102 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.707 -10.513 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.565 -9.364 6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.022 -11.144 8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.350 -9.407 7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.678 -10.585 7.814 1.00 0.00 H new ATOM 834 N ILE A 55 -9.580 -7.773 4.199 1.00 0.00 N ATOM 835 CA ILE A 55 -10.174 -6.461 3.975 1.00 0.00 C ATOM 836 C ILE A 55 -11.495 -6.577 3.223 1.00 0.00 C ATOM 837 O ILE A 55 -11.958 -7.679 2.927 1.00 0.00 O ATOM 838 CB ILE A 55 -9.225 -5.541 3.185 1.00 0.00 C ATOM 839 CG1 ILE A 55 -7.769 -5.939 3.433 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.456 -4.087 3.569 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.247 -6.963 2.450 1.00 0.00 C ATOM 0 H ILE A 55 -9.383 -8.298 3.347 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.355 -6.025 4.957 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.436 -5.653 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.144 -5.048 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.677 -6.337 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.778 -3.449 3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.486 -3.811 3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.269 -3.958 4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.209 -7.198 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.848 -7.870 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.307 -6.560 1.439 1.00 0.00 H new ATOM 853 N ASP A 56 -12.097 -5.434 2.916 1.00 0.00 N ATOM 854 CA ASP A 56 -13.365 -5.406 2.196 1.00 0.00 C ATOM 855 C ASP A 56 -13.194 -4.768 0.820 1.00 0.00 C ATOM 856 O ASP A 56 -14.135 -4.198 0.268 1.00 0.00 O ATOM 857 CB ASP A 56 -14.417 -4.640 3.000 1.00 0.00 C ATOM 858 CG ASP A 56 -14.922 -5.429 4.191 1.00 0.00 C ATOM 859 OD1 ASP A 56 -15.324 -6.597 4.003 1.00 0.00 O ATOM 860 OD2 ASP A 56 -14.916 -4.880 5.312 1.00 0.00 O ATOM 0 H ASP A 56 -11.727 -4.514 3.154 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.701 -6.434 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.991 -3.698 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.256 -4.391 2.351 1.00 0.00 H new ATOM 865 N TYR A 57 -11.988 -4.868 0.273 1.00 0.00 N ATOM 866 CA TYR A 57 -11.693 -4.298 -1.036 1.00 0.00 C ATOM 867 C TYR A 57 -12.685 -4.795 -2.083 1.00 0.00 C ATOM 868 O TYR A 57 -12.835 -4.197 -3.148 1.00 0.00 O ATOM 869 CB TYR A 57 -10.266 -4.652 -1.460 1.00 0.00 C ATOM 870 CG TYR A 57 -9.789 -3.890 -2.676 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.218 -4.238 -3.951 1.00 0.00 C ATOM 872 CD2 TYR A 57 -8.910 -2.822 -2.549 1.00 0.00 C ATOM 873 CE1 TYR A 57 -9.784 -3.545 -5.064 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.472 -2.122 -3.657 1.00 0.00 C ATOM 875 CZ TYR A 57 -8.911 -2.488 -4.912 1.00 0.00 C ATOM 876 OH TYR A 57 -8.478 -1.795 -6.019 1.00 0.00 O ATOM 0 H TYR A 57 -11.199 -5.338 0.716 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.784 -3.214 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.589 -4.454 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.212 -5.721 -1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.902 -5.064 -4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.563 -2.534 -1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.126 -3.829 -6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.790 -1.293 -3.541 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.227 -1.294 -6.405 1.00 0.00 H new ATOM 886 N LYS A 58 -13.361 -5.896 -1.771 1.00 0.00 N ATOM 887 CA LYS A 58 -14.342 -6.475 -2.682 1.00 0.00 C ATOM 888 C LYS A 58 -15.506 -5.517 -2.910 1.00 0.00 C ATOM 889 O LYS A 58 -16.180 -5.577 -3.938 1.00 0.00 O ATOM 890 CB LYS A 58 -14.861 -7.803 -2.127 1.00 0.00 C ATOM 891 CG LYS A 58 -15.447 -7.691 -0.730 1.00 0.00 C ATOM 892 CD LYS A 58 -15.570 -9.052 -0.066 1.00 0.00 C ATOM 893 CE LYS A 58 -16.899 -9.715 -0.394 1.00 0.00 C ATOM 894 NZ LYS A 58 -18.036 -9.051 0.301 1.00 0.00 N ATOM 0 H LYS A 58 -13.248 -6.405 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.851 -6.655 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.622 -8.196 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.045 -8.525 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.816 -7.044 -0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.429 -7.221 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.752 -9.693 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.475 -8.941 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.064 -9.685 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.861 -10.766 -0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.853 -9.694 0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.757 -8.813 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.294 -8.181 -0.208 1.00 0.00 H new ATOM 908 N SER A 59 -15.736 -4.632 -1.945 1.00 0.00 N ATOM 909 CA SER A 59 -16.821 -3.662 -2.040 1.00 0.00 C ATOM 910 C SER A 59 -16.341 -2.270 -1.642 1.00 0.00 C ATOM 911 O SER A 59 -17.106 -1.465 -1.109 1.00 0.00 O ATOM 912 CB SER A 59 -17.990 -4.085 -1.148 1.00 0.00 C ATOM 913 OG SER A 59 -19.222 -3.608 -1.662 1.00 0.00 O ATOM 0 H SER A 59 -15.186 -4.567 -1.089 1.00 0.00 H new ATOM 0 HA SER A 59 -17.157 -3.629 -3.076 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.020 -5.172 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.840 -3.700 -0.139 1.00 0.00 H new ATOM 0 HG SER A 59 -19.953 -3.893 -1.075 1.00 0.00 H new ATOM 919 N LEU A 60 -15.069 -1.992 -1.906 1.00 0.00 N ATOM 920 CA LEU A 60 -14.484 -0.697 -1.576 1.00 0.00 C ATOM 921 C LEU A 60 -14.599 0.267 -2.752 1.00 0.00 C ATOM 922 O LEU A 60 -15.212 -0.050 -3.771 1.00 0.00 O ATOM 923 CB LEU A 60 -13.016 -0.864 -1.181 1.00 0.00 C ATOM 924 CG LEU A 60 -12.754 -1.282 0.267 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.293 -1.068 0.628 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.659 -0.511 1.217 1.00 0.00 C ATOM 0 H LEU A 60 -14.423 -2.646 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.035 -0.281 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.565 -1.606 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.501 0.079 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.979 -2.344 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.125 -1.371 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.664 -1.666 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.041 -0.014 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.459 -0.821 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.466 0.557 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.701 -0.716 0.973 1.00 0.00 H new ATOM 938 N ASN A 61 -14.003 1.446 -2.605 1.00 0.00 N ATOM 939 CA ASN A 61 -14.037 2.457 -3.656 1.00 0.00 C ATOM 940 C ASN A 61 -13.121 3.628 -3.315 1.00 0.00 C ATOM 941 O ASN A 61 -12.757 3.847 -2.160 1.00 0.00 O ATOM 942 CB ASN A 61 -15.468 2.958 -3.864 1.00 0.00 C ATOM 943 CG ASN A 61 -16.257 2.077 -4.813 1.00 0.00 C ATOM 944 OD1 ASN A 61 -15.666 1.765 -5.960 1.00 0.00 O flip ATOM 945 ND2 ASN A 61 -17.385 1.682 -4.518 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.491 1.725 -1.768 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.682 1.998 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.979 3.000 -2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.441 3.975 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.801 1.947 -3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -17.904 1.090 -5.167 1.00 0.00 H new ATOM 952 N PRO A 62 -12.738 4.399 -4.344 1.00 0.00 N ATOM 953 CA PRO A 62 -11.861 5.561 -4.178 1.00 0.00 C ATOM 954 C PRO A 62 -12.549 6.708 -3.447 1.00 0.00 C ATOM 955 O PRO A 62 -11.974 7.783 -3.279 1.00 0.00 O ATOM 956 CB PRO A 62 -11.532 5.965 -5.618 1.00 0.00 C ATOM 957 CG PRO A 62 -12.678 5.459 -6.424 1.00 0.00 C ATOM 958 CD PRO A 62 -13.134 4.196 -5.747 1.00 0.00 C ATOM 0 HA PRO A 62 -10.984 5.326 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.428 7.046 -5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.591 5.525 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.482 6.193 -6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.375 5.263 -7.453 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.210 4.054 -5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.656 3.315 -6.176 1.00 0.00 H new ATOM 966 N GLN A 63 -13.784 6.472 -3.014 1.00 0.00 N ATOM 967 CA GLN A 63 -14.550 7.487 -2.301 1.00 0.00 C ATOM 968 C GLN A 63 -14.130 7.557 -0.836 1.00 0.00 C ATOM 969 O GLN A 63 -14.467 8.506 -0.128 1.00 0.00 O ATOM 970 CB GLN A 63 -16.047 7.190 -2.401 1.00 0.00 C ATOM 971 CG GLN A 63 -16.413 5.769 -2.001 1.00 0.00 C ATOM 972 CD GLN A 63 -15.935 5.413 -0.608 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.042 6.214 0.321 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.404 4.206 -0.454 1.00 0.00 N ATOM 0 H GLN A 63 -14.275 5.587 -3.145 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.347 8.452 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.591 7.889 -1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.377 7.367 -3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.495 5.649 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.981 5.071 -2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.335 3.574 -1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.065 3.911 0.462 1.00 0.00 H new ATOM 983 N ASP A 64 -13.393 6.546 -0.388 1.00 0.00 N ATOM 984 CA ASP A 64 -12.927 6.493 0.992 1.00 0.00 C ATOM 985 C ASP A 64 -11.420 6.720 1.066 1.00 0.00 C ATOM 986 O ASP A 64 -10.635 5.909 0.573 1.00 0.00 O ATOM 987 CB ASP A 64 -13.283 5.145 1.622 1.00 0.00 C ATOM 988 CG ASP A 64 -14.645 5.158 2.286 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.075 6.240 2.739 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.283 4.087 2.352 1.00 0.00 O ATOM 0 H ASP A 64 -13.106 5.752 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.424 7.288 1.548 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.264 4.372 0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.525 4.880 2.359 1.00 0.00 H new ATOM 995 N ILE A 65 -11.024 7.828 1.682 1.00 0.00 N ATOM 996 CA ILE A 65 -9.611 8.162 1.820 1.00 0.00 C ATOM 997 C ILE A 65 -9.077 7.740 3.184 1.00 0.00 C ATOM 998 O ILE A 65 -8.016 7.124 3.284 1.00 0.00 O ATOM 999 CB ILE A 65 -9.368 9.671 1.631 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.945 10.139 0.292 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.881 9.982 1.711 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.562 11.557 -0.068 1.00 0.00 C ATOM 0 H ILE A 65 -11.661 8.510 2.094 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.080 7.616 1.040 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.875 10.209 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.604 9.468 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -11.032 10.063 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.725 11.052 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.498 9.680 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.353 9.437 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -10.005 11.821 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.927 12.239 0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.477 11.635 -0.136 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.820 8.073 4.234 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.424 7.727 5.593 1.00 0.00 C ATOM 1016 C LYS A 66 -9.746 6.267 5.898 1.00 0.00 C ATOM 1017 O LYS A 66 -8.901 5.529 6.404 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.132 8.637 6.600 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.972 8.188 8.042 1.00 0.00 C ATOM 1020 CD LYS A 66 -9.999 9.368 9.000 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.415 9.882 9.211 1.00 0.00 C ATOM 1022 NZ LYS A 66 -12.089 9.200 10.350 1.00 0.00 N ATOM 0 H LYS A 66 -10.701 8.583 4.169 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.347 7.869 5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.743 9.650 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.194 8.678 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.771 7.492 8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.031 7.649 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.572 9.070 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.374 10.171 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.388 10.956 9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.996 9.730 8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.051 9.578 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.138 8.178 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.549 9.366 11.223 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.971 5.858 5.586 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.402 4.486 5.827 1.00 0.00 C ATOM 1038 C GLU A 67 -10.500 3.496 5.095 1.00 0.00 C ATOM 1039 O GLU A 67 -9.888 2.625 5.712 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.853 4.297 5.378 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.413 2.920 5.693 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.913 2.840 5.487 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.659 3.288 6.384 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.342 2.330 4.431 1.00 0.00 O ATOM 0 H GLU A 67 -11.682 6.456 5.166 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.332 4.293 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.475 5.052 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.917 4.469 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.923 2.179 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.178 2.664 6.726 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.423 3.637 3.776 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.597 2.755 2.960 1.00 0.00 C ATOM 1053 C ASN A 68 -8.244 2.510 3.622 1.00 0.00 C ATOM 1054 O ASN A 68 -7.797 1.370 3.739 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.394 3.357 1.567 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.555 3.066 0.637 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.669 2.791 1.084 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.300 3.125 -0.665 1.00 0.00 N ATOM 0 H ASN A 68 -10.923 4.354 3.249 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.113 1.800 2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.265 4.436 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.476 2.960 1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.042 2.939 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.362 3.357 -0.991 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.599 3.588 4.054 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.297 3.491 4.705 1.00 0.00 C ATOM 1067 C ASN A 69 -6.407 2.747 6.032 1.00 0.00 C ATOM 1068 O ASN A 69 -5.753 1.726 6.241 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.713 4.886 4.936 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.923 5.387 3.742 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.694 5.431 3.771 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.629 5.767 2.683 1.00 0.00 N ATOM 0 H ASN A 69 -7.956 4.539 3.965 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.631 2.931 4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.522 5.584 5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.067 4.866 5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.153 6.112 1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.647 5.713 2.703 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.241 3.267 6.928 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.440 2.653 8.235 1.00 0.00 C ATOM 1081 C LYS A 70 -7.605 1.142 8.107 1.00 0.00 C ATOM 1082 O LYS A 70 -7.007 0.375 8.863 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.668 3.254 8.922 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.998 2.604 10.255 1.00 0.00 C ATOM 1085 CD LYS A 70 -7.934 2.898 11.298 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.392 2.494 12.691 1.00 0.00 C ATOM 1087 NZ LYS A 70 -8.574 1.021 12.810 1.00 0.00 N ATOM 0 H LYS A 70 -7.790 4.113 6.772 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.557 2.854 8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.501 4.320 9.078 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.528 3.160 8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.964 2.966 10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.090 1.526 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.018 2.363 11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.696 3.962 11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.660 2.830 13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.331 2.996 12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.854 0.783 13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.315 0.708 12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.681 0.541 12.580 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.419 0.719 7.145 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.661 -0.700 6.916 1.00 0.00 C ATOM 1103 C LYS A 71 -7.347 -1.471 6.839 1.00 0.00 C ATOM 1104 O LYS A 71 -7.128 -2.419 7.592 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.458 -0.900 5.625 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.900 -0.431 5.721 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.791 -1.163 4.732 1.00 0.00 C ATOM 1108 CE LYS A 71 -13.231 -1.223 5.218 1.00 0.00 C ATOM 1109 NZ LYS A 71 -13.984 0.016 4.876 1.00 0.00 N ATOM 0 H LYS A 71 -8.922 1.340 6.511 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.239 -1.085 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.963 -0.363 4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.446 -1.957 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.269 -0.592 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.948 0.641 5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.753 -0.661 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.414 -2.175 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.729 -2.085 4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.244 -1.369 6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.134 0.580 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.440 0.574 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.904 -0.240 4.464 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.475 -1.056 5.926 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.182 -1.705 5.754 1.00 0.00 C ATOM 1125 C ALA A 72 -4.405 -1.737 7.065 1.00 0.00 C ATOM 1126 O ALA A 72 -4.124 -2.807 7.606 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.374 -0.997 4.676 1.00 0.00 C ATOM 0 H ALA A 72 -6.641 -0.273 5.294 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.359 -2.734 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.411 -1.493 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.918 -1.032 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.214 0.042 4.964 1.00 0.00 H new ATOM 1133 N TYR A 73 -4.059 -0.558 7.571 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.311 -0.451 8.818 1.00 0.00 C ATOM 1135 C TYR A 73 -3.775 -1.500 9.824 1.00 0.00 C ATOM 1136 O TYR A 73 -3.007 -1.939 10.679 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.471 0.949 9.414 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.996 2.054 8.499 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.825 1.919 7.763 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.718 3.234 8.370 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.387 2.927 6.926 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.288 4.247 7.534 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.122 4.088 6.814 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.690 5.095 5.982 1.00 0.00 O ATOM 0 H TYR A 73 -4.285 0.337 7.137 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.258 -0.627 8.597 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.521 1.114 9.655 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.917 1.001 10.351 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.247 1.010 7.847 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.631 3.362 8.933 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.474 2.806 6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.861 5.158 7.445 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.326 5.206 5.245 1.00 0.00 H new ATOM 1154 N ASP A 74 -5.038 -1.898 9.713 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.606 -2.897 10.610 1.00 0.00 C ATOM 1156 C ASP A 74 -5.179 -4.303 10.200 1.00 0.00 C ATOM 1157 O ASP A 74 -4.804 -5.119 11.040 1.00 0.00 O ATOM 1158 CB ASP A 74 -7.133 -2.797 10.619 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.758 -3.581 11.756 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.157 -3.621 12.849 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.848 -4.155 11.551 1.00 0.00 O ATOM 0 H ASP A 74 -5.687 -1.544 9.011 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.230 -2.701 11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.425 -1.750 10.700 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.524 -3.165 9.670 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.239 -4.578 8.900 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.856 -5.886 8.401 1.00 0.00 C ATOM 1168 C GLY A 75 -3.355 -6.097 8.418 1.00 0.00 C ATOM 1169 O GLY A 75 -2.875 -7.160 8.812 1.00 0.00 O ATOM 0 H GLY A 75 -5.546 -3.919 8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.335 -6.656 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.225 -6.005 7.382 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.612 -5.082 7.989 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.156 -5.162 7.954 1.00 0.00 C ATOM 1175 C PHE A 76 -0.583 -5.266 9.364 1.00 0.00 C ATOM 1176 O PHE A 76 0.258 -6.120 9.642 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.574 -3.938 7.244 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.721 -3.985 5.750 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.290 -5.090 5.033 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.289 -2.925 5.063 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.424 -5.137 3.658 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.426 -2.966 3.688 1.00 0.00 C ATOM 1183 CZ PHE A 76 -0.992 -4.073 2.985 1.00 0.00 C ATOM 0 H PHE A 76 -2.994 -4.195 7.661 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.880 -6.060 7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.066 -3.041 7.621 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.483 -3.851 7.494 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.156 -5.924 5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.629 -2.057 5.608 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.085 -6.004 3.111 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.872 -2.133 3.164 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.097 -4.106 1.911 1.00 0.00 H new ATOM 1193 N ALA A 77 -1.046 -4.391 10.251 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.581 -4.385 11.632 1.00 0.00 C ATOM 1195 C ALA A 77 -0.980 -5.669 12.351 1.00 0.00 C ATOM 1196 O ALA A 77 -0.315 -6.095 13.296 1.00 0.00 O ATOM 1197 CB ALA A 77 -1.132 -3.172 12.369 1.00 0.00 C ATOM 0 H ALA A 77 -1.743 -3.677 10.037 1.00 0.00 H new ATOM 0 HA ALA A 77 0.507 -4.328 11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.777 -3.180 13.399 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.793 -2.261 11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.221 -3.205 12.361 1.00 0.00 H new ATOM 1203 N SER A 78 -2.069 -6.282 11.898 1.00 0.00 N ATOM 1204 CA SER A 78 -2.559 -7.516 12.502 1.00 0.00 C ATOM 1205 C SER A 78 -1.491 -8.604 12.456 1.00 0.00 C ATOM 1206 O SER A 78 -1.247 -9.292 13.448 1.00 0.00 O ATOM 1207 CB SER A 78 -3.821 -7.994 11.782 1.00 0.00 C ATOM 1208 OG SER A 78 -4.985 -7.434 12.366 1.00 0.00 O ATOM 0 H SER A 78 -2.629 -5.944 11.115 1.00 0.00 H new ATOM 0 HA SER A 78 -2.800 -7.311 13.545 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.770 -7.717 10.729 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.877 -9.082 11.823 1.00 0.00 H new ATOM 0 HG SER A 78 -5.218 -6.604 11.900 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.856 -8.753 11.298 1.00 0.00 N ATOM 1215 CA ILE A 79 0.186 -9.756 11.123 1.00 0.00 C ATOM 1216 C ILE A 79 1.460 -9.361 11.862 1.00 0.00 C ATOM 1217 O ILE A 79 2.173 -10.212 12.391 1.00 0.00 O ATOM 1218 CB ILE A 79 0.516 -9.971 9.634 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.740 -8.626 8.939 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.600 -10.747 8.950 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.381 -8.749 7.575 1.00 0.00 C ATOM 0 H ILE A 79 -1.045 -8.192 10.468 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.199 -10.687 11.540 1.00 0.00 H new ATOM 0 HB ILE A 79 1.434 -10.554 9.562 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.218 -8.115 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.369 -8.000 9.572 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.352 -10.891 7.898 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.716 -11.718 9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.533 -10.189 9.030 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.509 -7.757 7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.354 -9.231 7.672 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.743 -9.348 6.926 1.00 0.00 H new ATOM 1233 N GLY A 80 1.738 -8.061 11.897 1.00 0.00 N ATOM 1234 CA GLY A 80 2.925 -7.574 12.575 1.00 0.00 C ATOM 1235 C GLY A 80 3.626 -6.475 11.802 1.00 0.00 C ATOM 1236 O GLY A 80 4.853 -6.379 11.821 1.00 0.00 O ATOM 0 H GLY A 80 1.162 -7.337 11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.649 -7.201 13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.616 -8.402 12.730 1.00 0.00 H new ATOM 1240 N ILE A 81 2.845 -5.645 11.119 1.00 0.00 N ATOM 1241 CA ILE A 81 3.399 -4.547 10.335 1.00 0.00 C ATOM 1242 C ILE A 81 3.181 -3.209 11.033 1.00 0.00 C ATOM 1243 O ILE A 81 2.085 -2.650 10.998 1.00 0.00 O ATOM 1244 CB ILE A 81 2.773 -4.488 8.929 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.161 -5.728 8.121 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.209 -3.221 8.208 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.712 -5.674 6.678 1.00 0.00 C ATOM 0 H ILE A 81 1.828 -5.711 11.092 1.00 0.00 H new ATOM 0 HA ILE A 81 4.469 -4.735 10.240 1.00 0.00 H new ATOM 0 HB ILE A 81 1.688 -4.470 9.031 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.244 -5.847 8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.729 -6.610 8.595 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.759 -3.194 7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.886 -2.349 8.777 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.295 -3.211 8.114 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.021 -6.585 6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.626 -5.586 6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.164 -4.812 6.188 1.00 0.00 H new ATOM 1259 N SER A 82 4.234 -2.700 11.666 1.00 0.00 N ATOM 1260 CA SER A 82 4.158 -1.428 12.374 1.00 0.00 C ATOM 1261 C SER A 82 3.657 -0.321 11.451 1.00 0.00 C ATOM 1262 O SER A 82 4.203 -0.106 10.369 1.00 0.00 O ATOM 1263 CB SER A 82 5.529 -1.053 12.940 1.00 0.00 C ATOM 1264 OG SER A 82 6.008 -2.054 13.822 1.00 0.00 O ATOM 0 H SER A 82 5.149 -3.149 11.703 1.00 0.00 H new ATOM 0 HA SER A 82 3.451 -1.540 13.196 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.237 -0.914 12.123 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.460 -0.102 13.468 1.00 0.00 H new ATOM 0 HG SER A 82 6.886 -1.791 14.169 1.00 0.00 H new ATOM 1270 N ARG A 83 2.614 0.378 11.888 1.00 0.00 N ATOM 1271 CA ARG A 83 2.038 1.462 11.101 1.00 0.00 C ATOM 1272 C ARG A 83 2.884 2.726 11.215 1.00 0.00 C ATOM 1273 O ARG A 83 3.182 3.190 12.317 1.00 0.00 O ATOM 1274 CB ARG A 83 0.608 1.750 11.562 1.00 0.00 C ATOM 1275 CG ARG A 83 -0.312 0.541 11.485 1.00 0.00 C ATOM 1276 CD ARG A 83 -1.489 0.676 12.438 1.00 0.00 C ATOM 1277 NE ARG A 83 -1.141 0.276 13.798 1.00 0.00 N ATOM 1278 CZ ARG A 83 -0.735 1.127 14.734 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -0.628 2.419 14.458 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -0.436 0.686 15.949 1.00 0.00 N ATOM 0 H ARG A 83 2.151 0.213 12.782 1.00 0.00 H new ATOM 0 HA ARG A 83 2.021 1.150 10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.633 2.112 12.590 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.193 2.552 10.951 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.679 0.426 10.465 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.250 -0.361 11.725 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.836 1.709 12.442 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.317 0.063 12.081 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.214 -0.711 14.043 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.858 2.762 13.525 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.316 3.070 15.178 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.518 -0.307 16.165 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.124 1.340 16.667 1.00 0.00 H new ATOM 1294 N LEU A 84 3.270 3.279 10.070 1.00 0.00 N ATOM 1295 CA LEU A 84 4.083 4.490 10.040 1.00 0.00 C ATOM 1296 C LEU A 84 3.264 5.684 9.562 1.00 0.00 C ATOM 1297 O LEU A 84 3.452 6.807 10.031 1.00 0.00 O ATOM 1298 CB LEU A 84 5.296 4.291 9.130 1.00 0.00 C ATOM 1299 CG LEU A 84 6.158 3.061 9.418 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.179 2.854 8.311 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.850 3.199 10.766 1.00 0.00 C ATOM 0 H LEU A 84 3.033 2.908 9.150 1.00 0.00 H new ATOM 0 HA LEU A 84 4.427 4.692 11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.946 4.231 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.927 5.177 9.201 1.00 0.00 H new ATOM 0 HG LEU A 84 5.509 2.186 9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.783 1.974 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.663 2.709 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.824 3.730 8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.459 2.315 10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.487 4.084 10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.101 3.298 11.551 1.00 0.00 H new ATOM 1313 N LEU A 85 2.352 5.434 8.629 1.00 0.00 N ATOM 1314 CA LEU A 85 1.501 6.488 8.089 1.00 0.00 C ATOM 1315 C LEU A 85 0.092 6.401 8.667 1.00 0.00 C ATOM 1316 O LEU A 85 -0.351 5.333 9.088 1.00 0.00 O ATOM 1317 CB LEU A 85 1.445 6.394 6.563 1.00 0.00 C ATOM 1318 CG LEU A 85 0.945 7.640 5.831 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.988 8.745 5.885 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.592 7.305 4.389 1.00 0.00 C ATOM 0 H LEU A 85 2.183 4.510 8.231 1.00 0.00 H new ATOM 0 HA LEU A 85 1.931 7.449 8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.444 6.159 6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.801 5.556 6.294 1.00 0.00 H new ATOM 0 HG LEU A 85 0.044 7.996 6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.615 9.624 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.191 9.003 6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.907 8.401 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.238 8.203 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.476 6.925 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.191 6.547 4.373 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.606 7.532 8.683 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.965 7.583 9.208 1.00 0.00 C ATOM 1334 C GLU A 86 -2.975 7.807 8.086 1.00 0.00 C ATOM 1335 O GLU A 86 -2.690 8.460 7.082 1.00 0.00 O ATOM 1336 CB GLU A 86 -2.092 8.694 10.253 1.00 0.00 C ATOM 1337 CG GLU A 86 -1.156 8.524 11.438 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.244 7.143 12.058 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.374 6.681 12.317 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -0.182 6.525 12.284 1.00 0.00 O ATOM 0 H GLU A 86 -0.253 8.425 8.339 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.180 6.624 9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.891 9.654 9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.120 8.726 10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.131 8.709 11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.393 9.273 12.194 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.184 7.253 8.259 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.261 7.378 7.272 1.00 0.00 C ATOM 1349 C PRO A 87 -5.814 8.797 7.195 1.00 0.00 C ATOM 1350 O PRO A 87 -5.922 9.374 6.113 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.331 6.414 7.790 1.00 0.00 C ATOM 1352 CG PRO A 87 -6.080 6.322 9.255 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.593 6.461 9.431 1.00 0.00 C ATOM 0 HA PRO A 87 -4.917 7.152 6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.334 6.787 7.583 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.249 5.438 7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.611 7.108 9.792 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.432 5.370 9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.344 6.966 10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.098 5.490 9.452 1.00 0.00 H new ATOM 1361 N SER A 88 -6.163 9.355 8.350 1.00 0.00 N ATOM 1362 CA SER A 88 -6.708 10.706 8.413 1.00 0.00 C ATOM 1363 C SER A 88 -5.735 11.713 7.807 1.00 0.00 C ATOM 1364 O SER A 88 -6.091 12.472 6.906 1.00 0.00 O ATOM 1365 CB SER A 88 -7.018 11.087 9.862 1.00 0.00 C ATOM 1366 OG SER A 88 -7.246 12.480 9.985 1.00 0.00 O ATOM 0 H SER A 88 -6.078 8.892 9.255 1.00 0.00 H new ATOM 0 HA SER A 88 -7.632 10.726 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.896 10.540 10.205 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.188 10.793 10.504 1.00 0.00 H new ATOM 0 HG SER A 88 -7.443 12.698 10.920 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.506 11.714 8.310 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.479 12.626 7.819 1.00 0.00 C ATOM 1374 C ASP A 89 -3.626 12.852 6.317 1.00 0.00 C ATOM 1375 O ASP A 89 -3.524 13.980 5.836 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.087 12.077 8.131 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.050 13.174 8.272 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.280 14.280 7.738 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.009 12.928 8.915 1.00 0.00 O ATOM 0 H ASP A 89 -4.196 11.093 9.058 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.605 13.582 8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.127 11.498 9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.783 11.394 7.338 1.00 0.00 H new ATOM 1384 N MET A 90 -3.864 11.770 5.582 1.00 0.00 N ATOM 1385 CA MET A 90 -4.024 11.851 4.135 1.00 0.00 C ATOM 1386 C MET A 90 -5.111 12.854 3.763 1.00 0.00 C ATOM 1387 O MET A 90 -4.929 13.678 2.867 1.00 0.00 O ATOM 1388 CB MET A 90 -4.367 10.474 3.561 1.00 0.00 C ATOM 1389 CG MET A 90 -3.294 9.427 3.813 1.00 0.00 C ATOM 1390 SD MET A 90 -1.993 9.452 2.565 1.00 0.00 S ATOM 1391 CE MET A 90 -1.922 7.720 2.115 1.00 0.00 C ATOM 0 H MET A 90 -3.950 10.828 5.964 1.00 0.00 H new ATOM 0 HA MET A 90 -3.080 12.190 3.709 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.306 10.132 3.995 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.528 10.567 2.487 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.853 9.594 4.796 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.754 8.439 3.833 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.059 7.546 1.472 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.831 7.113 3.016 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.833 7.445 1.583 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.242 12.779 4.458 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.358 13.682 4.201 1.00 0.00 C ATOM 1403 C VAL A 91 -7.029 15.103 4.645 1.00 0.00 C ATOM 1404 O VAL A 91 -7.251 16.063 3.906 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.636 13.213 4.922 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.827 14.062 4.504 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.896 11.741 4.642 1.00 0.00 C ATOM 0 H VAL A 91 -6.409 12.103 5.203 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.532 13.672 3.125 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.492 13.335 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.721 13.716 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.639 15.104 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.976 13.975 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.803 11.427 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.020 11.591 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.052 11.149 4.996 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.498 15.230 5.855 1.00 0.00 N ATOM 1418 CA LEU A 92 -6.137 16.535 6.399 1.00 0.00 C ATOM 1419 C LEU A 92 -5.368 17.359 5.371 1.00 0.00 C ATOM 1420 O LEU A 92 -5.761 18.478 5.037 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.297 16.367 7.666 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.887 15.460 8.747 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.887 15.251 9.873 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -7.184 16.045 9.285 1.00 0.00 C ATOM 0 H LEU A 92 -6.308 14.446 6.479 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.057 17.064 6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.322 15.973 7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.128 17.353 8.099 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.107 14.491 8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.325 14.603 10.633 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.984 14.787 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.634 16.213 10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.589 15.386 10.053 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.989 17.027 9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.904 16.141 8.473 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.272 16.799 4.872 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.448 17.480 3.880 1.00 0.00 C ATOM 1438 C LEU A 93 -3.899 17.131 2.465 1.00 0.00 C ATOM 1439 O LEU A 93 -4.804 16.320 2.274 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.977 17.106 4.065 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.637 15.622 3.913 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.312 15.295 2.464 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.475 15.245 4.820 1.00 0.00 C ATOM 0 H LEU A 93 -3.933 15.875 5.138 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.564 18.554 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.386 17.669 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.662 17.431 5.057 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.508 15.037 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.073 14.235 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.173 15.526 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.457 15.888 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.247 14.186 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.401 15.837 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.745 15.441 5.858 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.260 17.748 1.476 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.592 17.499 0.079 1.00 0.00 C ATOM 1457 C ALA A 94 -2.822 16.300 -0.463 1.00 0.00 C ATOM 1458 O ALA A 94 -3.411 15.268 -0.788 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.305 18.736 -0.760 1.00 0.00 C ATOM 0 H ALA A 94 -2.509 18.424 1.617 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.656 17.271 0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.557 18.536 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.904 19.570 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.247 18.989 -0.685 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.505 16.442 -0.559 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.655 15.370 -1.062 1.00 0.00 C ATOM 1467 C ILE A 95 0.330 14.903 0.005 1.00 0.00 C ATOM 1468 O ILE A 95 0.999 15.702 0.659 1.00 0.00 O ATOM 1469 CB ILE A 95 0.129 15.812 -2.311 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.834 16.259 -3.413 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.019 14.681 -2.805 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.671 15.134 -3.978 1.00 0.00 C ATOM 0 H ILE A 95 -1.003 17.290 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.314 14.544 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 95 0.763 16.657 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.496 17.029 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.262 16.716 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.567 15.009 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.725 14.405 -2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.403 13.818 -3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.330 15.525 -4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.018 14.374 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.270 14.691 -3.182 1.00 0.00 H new ATOM 1484 N PRO A 96 0.423 13.577 0.183 1.00 0.00 N ATOM 1485 CA PRO A 96 1.326 12.973 1.168 1.00 0.00 C ATOM 1486 C PRO A 96 2.793 13.123 0.778 1.00 0.00 C ATOM 1487 O PRO A 96 3.111 13.667 -0.279 1.00 0.00 O ATOM 1488 CB PRO A 96 0.920 11.497 1.163 1.00 0.00 C ATOM 1489 CG PRO A 96 0.324 11.272 -0.184 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.344 12.565 -0.562 1.00 0.00 C ATOM 0 HA PRO A 96 1.241 13.449 2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.781 10.849 1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.202 11.281 1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.091 11.002 -0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.395 10.453 -0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.301 12.740 -1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.397 12.571 -0.280 1.00 0.00 H new ATOM 1498 N ASP A 97 3.681 12.637 1.638 1.00 0.00 N ATOM 1499 CA ASP A 97 5.115 12.715 1.382 1.00 0.00 C ATOM 1500 C ASP A 97 5.616 11.445 0.702 1.00 0.00 C ATOM 1501 O ASP A 97 5.815 10.418 1.350 1.00 0.00 O ATOM 1502 CB ASP A 97 5.875 12.943 2.690 1.00 0.00 C ATOM 1503 CG ASP A 97 5.959 14.409 3.063 1.00 0.00 C ATOM 1504 OD1 ASP A 97 4.966 14.942 3.600 1.00 0.00 O ATOM 1505 OD2 ASP A 97 7.018 15.025 2.817 1.00 0.00 O ATOM 0 H ASP A 97 3.434 12.185 2.518 1.00 0.00 H new ATOM 0 HA ASP A 97 5.295 13.557 0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.383 12.395 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.882 12.537 2.597 1.00 0.00 H new ATOM 1510 N LYS A 98 5.817 11.522 -0.609 1.00 0.00 N ATOM 1511 CA LYS A 98 6.294 10.380 -1.379 1.00 0.00 C ATOM 1512 C LYS A 98 7.259 9.534 -0.555 1.00 0.00 C ATOM 1513 O LYS A 98 7.091 8.319 -0.438 1.00 0.00 O ATOM 1514 CB LYS A 98 6.983 10.855 -2.661 1.00 0.00 C ATOM 1515 CG LYS A 98 7.648 9.736 -3.444 1.00 0.00 C ATOM 1516 CD LYS A 98 8.781 10.260 -4.311 1.00 0.00 C ATOM 1517 CE LYS A 98 9.375 9.159 -5.176 1.00 0.00 C ATOM 1518 NZ LYS A 98 9.983 9.700 -6.423 1.00 0.00 N ATOM 0 H LYS A 98 5.657 12.365 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 98 5.433 9.766 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.248 11.346 -3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.733 11.603 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.034 8.987 -2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.908 9.240 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.412 11.065 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.559 10.686 -3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.132 8.619 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.597 8.440 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.377 8.918 -6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.255 10.193 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.743 10.367 -6.178 1.00 0.00 H new ATOM 1532 N LEU A 99 8.269 10.182 0.016 1.00 0.00 N ATOM 1533 CA LEU A 99 9.260 9.489 0.831 1.00 0.00 C ATOM 1534 C LEU A 99 8.587 8.542 1.819 1.00 0.00 C ATOM 1535 O LEU A 99 8.586 7.325 1.629 1.00 0.00 O ATOM 1536 CB LEU A 99 10.126 10.500 1.585 1.00 0.00 C ATOM 1537 CG LEU A 99 11.269 11.131 0.788 1.00 0.00 C ATOM 1538 CD1 LEU A 99 12.544 10.318 0.949 1.00 0.00 C ATOM 1539 CD2 LEU A 99 10.892 11.250 -0.682 1.00 0.00 C ATOM 0 H LEU A 99 8.423 11.187 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 99 9.893 8.901 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.481 11.299 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.549 10.005 2.459 1.00 0.00 H new ATOM 0 HG LEU A 99 11.449 12.133 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.346 10.782 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.824 10.285 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.377 9.304 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.717 11.701 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.684 10.259 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.005 11.875 -0.781 1.00 0.00 H new ATOM 1551 N THR A 100 8.012 9.109 2.876 1.00 0.00 N ATOM 1552 CA THR A 100 7.334 8.316 3.894 1.00 0.00 C ATOM 1553 C THR A 100 6.508 7.201 3.262 1.00 0.00 C ATOM 1554 O THR A 100 6.810 6.019 3.431 1.00 0.00 O ATOM 1555 CB THR A 100 6.413 9.191 4.766 1.00 0.00 C ATOM 1556 OG1 THR A 100 7.130 10.336 5.239 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.875 8.399 5.948 1.00 0.00 C ATOM 0 H THR A 100 8.003 10.114 3.049 1.00 0.00 H new ATOM 0 HA THR A 100 8.109 7.878 4.523 1.00 0.00 H new ATOM 0 HB THR A 100 5.572 9.517 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.537 10.888 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.227 9.037 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.305 7.544 5.584 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.706 8.047 6.559 1.00 0.00 H new ATOM 1565 N VAL A 101 5.464 7.584 2.534 1.00 0.00 N ATOM 1566 CA VAL A 101 4.595 6.615 1.876 1.00 0.00 C ATOM 1567 C VAL A 101 5.390 5.414 1.376 1.00 0.00 C ATOM 1568 O VAL A 101 5.087 4.271 1.717 1.00 0.00 O ATOM 1569 CB VAL A 101 3.845 7.250 0.690 1.00 0.00 C ATOM 1570 CG1 VAL A 101 2.998 6.208 -0.026 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.987 8.413 1.164 1.00 0.00 C ATOM 0 H VAL A 101 5.199 8.558 2.385 1.00 0.00 H new ATOM 0 HA VAL A 101 3.870 6.283 2.619 1.00 0.00 H new ATOM 0 HB VAL A 101 4.579 7.635 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.476 6.675 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.641 5.411 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.270 5.790 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.464 8.850 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.259 8.055 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.622 9.169 1.627 1.00 0.00 H new ATOM 1581 N MET A 102 6.410 5.682 0.567 1.00 0.00 N ATOM 1582 CA MET A 102 7.250 4.622 0.021 1.00 0.00 C ATOM 1583 C MET A 102 7.927 3.836 1.139 1.00 0.00 C ATOM 1584 O MET A 102 8.089 2.618 1.047 1.00 0.00 O ATOM 1585 CB MET A 102 8.306 5.211 -0.916 1.00 0.00 C ATOM 1586 CG MET A 102 7.729 5.778 -2.202 1.00 0.00 C ATOM 1587 SD MET A 102 8.997 6.431 -3.305 1.00 0.00 S ATOM 1588 CE MET A 102 9.829 4.922 -3.794 1.00 0.00 C ATOM 0 H MET A 102 6.675 6.623 0.275 1.00 0.00 H new ATOM 0 HA MET A 102 6.613 3.941 -0.544 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.846 5.999 -0.391 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.032 4.437 -1.164 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.170 4.998 -2.719 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.021 6.571 -1.959 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.355 5.085 -4.735 1.00 0.00 H new ATOM 0 HE2 MET A 102 10.545 4.635 -3.024 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.095 4.127 -3.921 1.00 0.00 H new ATOM 1598 N THR A 103 8.322 4.539 2.196 1.00 0.00 N ATOM 1599 CA THR A 103 8.984 3.906 3.331 1.00 0.00 C ATOM 1600 C THR A 103 8.103 2.825 3.948 1.00 0.00 C ATOM 1601 O THR A 103 8.563 1.715 4.215 1.00 0.00 O ATOM 1602 CB THR A 103 9.346 4.938 4.416 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.104 6.008 3.841 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.146 4.288 5.535 1.00 0.00 C ATOM 0 H THR A 103 8.195 5.547 2.290 1.00 0.00 H new ATOM 0 HA THR A 103 9.899 3.452 2.951 1.00 0.00 H new ATOM 0 HB THR A 103 8.420 5.333 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.524 6.545 3.262 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.390 5.036 6.289 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.555 3.493 5.990 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.066 3.869 5.128 1.00 0.00 H new ATOM 1612 N TYR A 104 6.836 3.156 4.170 1.00 0.00 N ATOM 1613 CA TYR A 104 5.892 2.213 4.757 1.00 0.00 C ATOM 1614 C TYR A 104 5.641 1.037 3.818 1.00 0.00 C ATOM 1615 O TYR A 104 5.584 -0.115 4.249 1.00 0.00 O ATOM 1616 CB TYR A 104 4.571 2.915 5.078 1.00 0.00 C ATOM 1617 CG TYR A 104 3.559 2.020 5.756 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.904 1.267 6.871 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.256 1.928 5.282 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.983 0.447 7.493 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.327 1.112 5.898 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.696 0.373 7.004 1.00 0.00 C ATOM 1623 OH TYR A 104 0.775 -0.441 7.621 1.00 0.00 O ATOM 0 H TYR A 104 6.439 4.070 3.952 1.00 0.00 H new ATOM 0 HA TYR A 104 6.327 1.830 5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.772 3.773 5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.141 3.301 4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.910 1.324 7.259 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.964 2.505 4.417 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.269 -0.133 8.358 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.318 1.053 5.517 1.00 0.00 H new ATOM 0 HH TYR A 104 0.986 -0.508 8.576 1.00 0.00 H new ATOM 1633 N LEU A 105 5.493 1.337 2.533 1.00 0.00 N ATOM 1634 CA LEU A 105 5.249 0.306 1.530 1.00 0.00 C ATOM 1635 C LEU A 105 6.357 -0.742 1.545 1.00 0.00 C ATOM 1636 O LEU A 105 6.094 -1.938 1.676 1.00 0.00 O ATOM 1637 CB LEU A 105 5.144 0.933 0.139 1.00 0.00 C ATOM 1638 CG LEU A 105 3.754 1.417 -0.276 1.00 0.00 C ATOM 1639 CD1 LEU A 105 3.855 2.401 -1.431 1.00 0.00 C ATOM 1640 CD2 LEU A 105 2.870 0.238 -0.654 1.00 0.00 C ATOM 0 H LEU A 105 5.538 2.286 2.161 1.00 0.00 H new ATOM 0 HA LEU A 105 4.306 -0.185 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.831 1.778 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.486 0.202 -0.594 1.00 0.00 H new ATOM 0 HG LEU A 105 3.300 1.929 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.856 2.735 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.452 3.260 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.329 1.914 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.885 0.601 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.320 -0.302 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.771 -0.431 0.201 1.00 0.00 H new ATOM 1652 N TYR A 106 7.598 -0.285 1.414 1.00 0.00 N ATOM 1653 CA TYR A 106 8.747 -1.183 1.412 1.00 0.00 C ATOM 1654 C TYR A 106 8.620 -2.231 2.513 1.00 0.00 C ATOM 1655 O TYR A 106 8.979 -3.393 2.322 1.00 0.00 O ATOM 1656 CB TYR A 106 10.041 -0.388 1.596 1.00 0.00 C ATOM 1657 CG TYR A 106 10.571 0.210 0.312 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.637 -0.543 -0.853 1.00 0.00 C ATOM 1659 CD2 TYR A 106 11.005 1.529 0.266 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.122 0.000 -2.028 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.490 2.081 -0.905 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.547 1.312 -2.048 1.00 0.00 C ATOM 1663 OH TYR A 106 12.028 1.857 -3.217 1.00 0.00 O ATOM 0 H TYR A 106 7.834 0.702 1.308 1.00 0.00 H new ATOM 0 HA TYR A 106 8.776 -1.694 0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.867 0.412 2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.801 -1.041 2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.304 -1.570 -0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.963 2.133 1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.168 -0.600 -2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.822 3.108 -0.924 1.00 0.00 H new ATOM 0 HH TYR A 106 12.284 2.790 -3.062 1.00 0.00 H new ATOM 1673 N GLN A 107 8.106 -1.812 3.665 1.00 0.00 N ATOM 1674 CA GLN A 107 7.931 -2.714 4.796 1.00 0.00 C ATOM 1675 C GLN A 107 7.003 -3.869 4.434 1.00 0.00 C ATOM 1676 O GLN A 107 7.337 -5.035 4.645 1.00 0.00 O ATOM 1677 CB GLN A 107 7.373 -1.954 6.001 1.00 0.00 C ATOM 1678 CG GLN A 107 8.281 -0.838 6.490 1.00 0.00 C ATOM 1679 CD GLN A 107 9.273 -1.309 7.535 1.00 0.00 C ATOM 1680 OE1 GLN A 107 8.946 -2.129 8.393 1.00 0.00 O ATOM 1681 NE2 GLN A 107 10.494 -0.792 7.468 1.00 0.00 N ATOM 0 H GLN A 107 7.804 -0.854 3.839 1.00 0.00 H new ATOM 0 HA GLN A 107 8.907 -3.124 5.055 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.403 -1.532 5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.204 -2.657 6.817 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.823 -0.418 5.643 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.672 -0.036 6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.722 -0.115 6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.204 -1.072 8.145 1.00 0.00 H new ATOM 1690 N ILE A 108 5.838 -3.536 3.889 1.00 0.00 N ATOM 1691 CA ILE A 108 4.863 -4.546 3.497 1.00 0.00 C ATOM 1692 C ILE A 108 5.448 -5.505 2.466 1.00 0.00 C ATOM 1693 O ILE A 108 5.473 -6.718 2.675 1.00 0.00 O ATOM 1694 CB ILE A 108 3.588 -3.903 2.918 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.880 -3.070 3.988 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.657 -4.973 2.369 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.373 -1.642 4.068 1.00 0.00 C ATOM 0 H ILE A 108 5.546 -2.575 3.709 1.00 0.00 H new ATOM 0 HA ILE A 108 4.604 -5.100 4.399 1.00 0.00 H new ATOM 0 HB ILE A 108 3.872 -3.242 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.809 -3.065 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.017 -3.548 4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.761 -4.503 1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.165 -5.527 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.377 -5.657 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.826 -1.112 4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.437 -1.637 4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.211 -1.147 3.111 1.00 0.00 H new ATOM 1709 N ARG A 109 5.920 -4.952 1.353 1.00 0.00 N ATOM 1710 CA ARG A 109 6.506 -5.758 0.289 1.00 0.00 C ATOM 1711 C ARG A 109 7.553 -6.717 0.848 1.00 0.00 C ATOM 1712 O ARG A 109 7.653 -7.864 0.414 1.00 0.00 O ATOM 1713 CB ARG A 109 7.139 -4.857 -0.773 1.00 0.00 C ATOM 1714 CG ARG A 109 8.013 -5.606 -1.765 1.00 0.00 C ATOM 1715 CD ARG A 109 8.983 -4.671 -2.471 1.00 0.00 C ATOM 1716 NE ARG A 109 9.488 -5.244 -3.715 1.00 0.00 N ATOM 1717 CZ ARG A 109 10.415 -6.194 -3.764 1.00 0.00 C ATOM 1718 NH1 ARG A 109 10.935 -6.676 -2.643 1.00 0.00 N ATOM 1719 NH2 ARG A 109 10.824 -6.665 -4.935 1.00 0.00 N ATOM 0 H ARG A 109 5.908 -3.950 1.165 1.00 0.00 H new ATOM 0 HA ARG A 109 5.710 -6.344 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.348 -4.340 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.738 -4.093 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.570 -6.385 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.383 -6.103 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.485 -3.725 -2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.819 -4.449 -1.808 1.00 0.00 H new ATOM 0 HE ARG A 109 9.108 -4.896 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.623 -6.317 -1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.647 -7.406 -2.683 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.426 -6.298 -5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.536 -7.395 -4.971 1.00 0.00 H new ATOM 1733 N ALA A 110 8.332 -6.238 1.812 1.00 0.00 N ATOM 1734 CA ALA A 110 9.371 -7.052 2.431 1.00 0.00 C ATOM 1735 C ALA A 110 8.764 -8.159 3.286 1.00 0.00 C ATOM 1736 O ALA A 110 9.233 -9.297 3.271 1.00 0.00 O ATOM 1737 CB ALA A 110 10.295 -6.182 3.269 1.00 0.00 C ATOM 0 H ALA A 110 8.263 -5.290 2.182 1.00 0.00 H new ATOM 0 HA ALA A 110 9.953 -7.520 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.066 -6.804 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.764 -5.431 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.719 -5.687 4.051 1.00 0.00 H new ATOM 1743 N HIS A 111 7.717 -7.818 4.032 1.00 0.00 N ATOM 1744 CA HIS A 111 7.046 -8.784 4.894 1.00 0.00 C ATOM 1745 C HIS A 111 6.647 -10.029 4.108 1.00 0.00 C ATOM 1746 O HIS A 111 6.942 -11.153 4.515 1.00 0.00 O ATOM 1747 CB HIS A 111 5.809 -8.153 5.535 1.00 0.00 C ATOM 1748 CG HIS A 111 5.143 -9.035 6.546 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.201 -8.802 7.903 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.399 -10.155 6.390 1.00 0.00 C ATOM 1751 CE1 HIS A 111 4.524 -9.741 8.539 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.026 -10.575 7.643 1.00 0.00 N ATOM 0 H HIS A 111 7.316 -6.881 4.056 1.00 0.00 H new ATOM 0 HA HIS A 111 7.743 -9.080 5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.096 -7.217 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.092 -7.904 4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.146 -10.630 5.454 1.00 0.00 H new ATOM 0 HE1 HIS A 111 4.399 -9.815 9.609 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.457 -11.397 7.849 1.00 0.00 H new ATOM 1761 N PHE A 112 5.974 -9.822 2.981 1.00 0.00 N ATOM 1762 CA PHE A 112 5.533 -10.927 2.139 1.00 0.00 C ATOM 1763 C PHE A 112 6.689 -11.467 1.301 1.00 0.00 C ATOM 1764 O PHE A 112 6.970 -12.665 1.311 1.00 0.00 O ATOM 1765 CB PHE A 112 4.392 -10.477 1.225 1.00 0.00 C ATOM 1766 CG PHE A 112 3.095 -10.256 1.949 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.848 -9.061 2.606 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.123 -11.242 1.972 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.656 -8.856 3.274 1.00 0.00 C ATOM 1770 CE2 PHE A 112 0.928 -11.042 2.638 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.694 -9.847 3.289 1.00 0.00 C ATOM 0 H PHE A 112 5.722 -8.898 2.630 1.00 0.00 H new ATOM 0 HA PHE A 112 5.174 -11.725 2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.681 -9.553 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.242 -11.227 0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.595 -8.281 2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.300 -12.178 1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.477 -7.921 3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 112 0.178 -11.820 2.649 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.239 -9.688 3.809 1.00 0.00 H new ATOM 1781 N SER A 113 7.354 -10.573 0.576 1.00 0.00 N ATOM 1782 CA SER A 113 8.476 -10.959 -0.271 1.00 0.00 C ATOM 1783 C SER A 113 9.801 -10.766 0.460 1.00 0.00 C ATOM 1784 O SER A 113 10.092 -9.680 0.963 1.00 0.00 O ATOM 1785 CB SER A 113 8.470 -10.143 -1.565 1.00 0.00 C ATOM 1786 OG SER A 113 7.447 -10.583 -2.441 1.00 0.00 O ATOM 0 H SER A 113 7.135 -9.577 0.558 1.00 0.00 H new ATOM 0 HA SER A 113 8.367 -12.016 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.325 -9.088 -1.333 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.438 -10.231 -2.058 1.00 0.00 H new ATOM 0 HG SER A 113 7.463 -10.045 -3.260 1.00 0.00 H new ATOM 1792 N SER A 114 10.601 -11.826 0.514 1.00 0.00 N ATOM 1793 CA SER A 114 11.893 -11.775 1.187 1.00 0.00 C ATOM 1794 C SER A 114 12.969 -11.225 0.256 1.00 0.00 C ATOM 1795 O SER A 114 12.802 -11.208 -0.963 1.00 0.00 O ATOM 1796 CB SER A 114 12.292 -13.168 1.678 1.00 0.00 C ATOM 1797 OG SER A 114 12.648 -14.009 0.594 1.00 0.00 O ATOM 0 H SER A 114 10.377 -12.731 0.100 1.00 0.00 H new ATOM 0 HA SER A 114 11.802 -11.108 2.044 1.00 0.00 H new ATOM 0 HB2 SER A 114 13.130 -13.087 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.465 -13.613 2.231 1.00 0.00 H new ATOM 0 HG SER A 114 12.900 -14.893 0.935 1.00 0.00 H new ATOM 1803 N GLY A 115 14.075 -10.775 0.840 1.00 0.00 N ATOM 1804 CA GLY A 115 15.163 -10.229 0.049 1.00 0.00 C ATOM 1805 C GLY A 115 16.373 -9.878 0.891 1.00 0.00 C ATOM 1806 O GLY A 115 17.232 -10.717 1.162 1.00 0.00 O ATOM 0 H GLY A 115 14.237 -10.779 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.452 -10.952 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 115 14.816 -9.337 -0.473 1.00 0.00 H new ATOM 1810 N PRO A 116 16.453 -8.609 1.319 1.00 0.00 N ATOM 1811 CA PRO A 116 17.564 -8.120 2.141 1.00 0.00 C ATOM 1812 C PRO A 116 17.540 -8.697 3.552 1.00 0.00 C ATOM 1813 O PRO A 116 18.467 -8.488 4.334 1.00 0.00 O ATOM 1814 CB PRO A 116 17.337 -6.606 2.178 1.00 0.00 C ATOM 1815 CG PRO A 116 15.874 -6.437 1.952 1.00 0.00 C ATOM 1816 CD PRO A 116 15.465 -7.555 1.034 1.00 0.00 C ATOM 0 HA PRO A 116 18.532 -8.410 1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.641 -6.183 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 116 17.918 -6.100 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 116 15.326 -6.484 2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 116 15.658 -5.466 1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.448 -7.891 1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 116 15.495 -7.248 -0.011 1.00 0.00 H new ATOM 1824 N SER A 117 16.474 -9.424 3.870 1.00 0.00 N ATOM 1825 CA SER A 117 16.328 -10.029 5.189 1.00 0.00 C ATOM 1826 C SER A 117 17.664 -10.568 5.691 1.00 0.00 C ATOM 1827 O SER A 117 18.560 -10.870 4.902 1.00 0.00 O ATOM 1828 CB SER A 117 15.295 -11.157 5.145 1.00 0.00 C ATOM 1829 OG SER A 117 15.710 -12.195 4.275 1.00 0.00 O ATOM 0 H SER A 117 15.699 -9.608 3.233 1.00 0.00 H new ATOM 0 HA SER A 117 15.985 -9.258 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 117 15.146 -11.557 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 117 14.335 -10.762 4.813 1.00 0.00 H new ATOM 0 HG SER A 117 15.034 -12.904 4.266 1.00 0.00 H new ATOM 1835 N SER A 118 17.790 -10.687 7.008 1.00 0.00 N ATOM 1836 CA SER A 118 19.018 -11.186 7.617 1.00 0.00 C ATOM 1837 C SER A 118 19.591 -12.347 6.811 1.00 0.00 C ATOM 1838 O SER A 118 18.856 -13.221 6.351 1.00 0.00 O ATOM 1839 CB SER A 118 18.754 -11.631 9.057 1.00 0.00 C ATOM 1840 OG SER A 118 18.101 -10.612 9.794 1.00 0.00 O ATOM 0 H SER A 118 17.057 -10.445 7.675 1.00 0.00 H new ATOM 0 HA SER A 118 19.747 -10.376 7.623 1.00 0.00 H new ATOM 0 HB2 SER A 118 18.142 -12.533 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 118 19.697 -11.887 9.541 1.00 0.00 H new ATOM 0 HG SER A 118 17.942 -10.922 10.710 1.00 0.00 H new ATOM 1846 N GLY A 119 20.910 -12.350 6.643 1.00 0.00 N ATOM 1847 CA GLY A 119 21.561 -13.408 5.892 1.00 0.00 C ATOM 1848 C GLY A 119 23.055 -13.190 5.761 1.00 0.00 C ATOM 1849 O GLY A 119 23.851 -13.968 6.288 1.00 0.00 O ATOM 0 H GLY A 119 21.540 -11.638 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 119 21.378 -14.364 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 119 21.117 -13.470 4.898 1.00 0.00 H new TER 1853 GLY A 119