USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 850 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 124 ZNZN :(H bumps) USER MOD Set 1.1: A 36 ASN : amide:sc= -1.24 K(o=1.1,f=2.3) USER MOD Set 1.2: A 41 SER OG : rot 152:sc= 0.941 USER MOD Set 1.3: A 61 HIS : no HD1:sc= 1.43 K(o=1.1,f=-5.4!) USER MOD Set 2.1: A 9 THR OG1 : rot 123:sc= 1.28 USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0.957 USER MOD Set 3.1: A 3 LYS NZ :NH3+ 165:sc= 1.05 (180deg=-0.538) USER MOD Set 3.2: A 6 ASN : amide:sc= 0.963 K(o=2,f=-11!) USER MOD Single : A 1 VAL N :NH3+ 151:sc= -0.076 (180deg=-0.409) USER MOD Single : A 2 SER OG : rot -120:sc=-0.000525 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.036) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 13 ASN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 20 SER OG : rot -28:sc= 0.287 USER MOD Single : A 23 LYS NZ :NH3+ 151:sc= 1.22 (180deg=1.09) USER MOD Single : A 32 ASN : amide:sc= -2.46 K(o=-2.5,f=-5!) USER MOD Single : A 38 THR OG1 : rot -172:sc= 0.675 USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.07) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.6) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -90:sc= 2.12 USER MOD Single : A 77 THR OG1 : rot 180:sc= -2! USER MOD Single : A 84 TYR OH : rot 69:sc= 1.14 USER MOD Single : A 85 SER OG : rot -71:sc= -0.364! USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -0.122 K(o=-0.12,f=-8.7!) USER MOD Single : A 103 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 108 MET CE :methyl -159:sc= -0.123 (180deg=-0.706) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 MET CE :methyl -164:sc= -0.0854 (180deg=-0.477) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 43:sc= 0.561 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.734 -8.410 -12.109 1.00 0.75 N ATOM 2 CA VAL A 1 -6.306 -8.417 -10.747 1.00 0.65 C ATOM 3 C VAL A 1 -5.511 -9.367 -9.851 1.00 0.73 C ATOM 4 O VAL A 1 -5.211 -10.493 -10.244 1.00 0.89 O ATOM 5 CB VAL A 1 -7.799 -8.824 -10.769 1.00 0.76 C ATOM 6 CG1 VAL A 1 -7.984 -10.120 -11.534 1.00 1.17 C ATOM 7 CG2 VAL A 1 -8.364 -8.948 -9.357 1.00 1.17 C ATOM 0 H1 VAL A 1 -6.483 -8.200 -12.799 1.00 0.75 H new ATOM 0 H2 VAL A 1 -4.993 -7.683 -12.171 1.00 0.75 H new ATOM 0 H3 VAL A 1 -5.323 -9.342 -12.318 1.00 0.75 H new ATOM 0 HA VAL A 1 -6.240 -7.406 -10.345 1.00 0.65 H new ATOM 0 HB VAL A 1 -8.353 -8.035 -11.279 1.00 0.76 H new ATOM 0 HG11 VAL A 1 -9.040 -10.392 -11.540 1.00 1.17 H new ATOM 0 HG12 VAL A 1 -7.637 -9.990 -12.559 1.00 1.17 H new ATOM 0 HG13 VAL A 1 -7.408 -10.911 -11.054 1.00 1.17 H new ATOM 0 HG21 VAL A 1 -9.414 -9.235 -9.409 1.00 1.17 H new ATOM 0 HG22 VAL A 1 -7.807 -9.707 -8.808 1.00 1.17 H new ATOM 0 HG23 VAL A 1 -8.275 -7.990 -8.844 1.00 1.17 H new ATOM 17 N SER A 2 -5.138 -8.902 -8.663 1.00 0.77 N ATOM 18 CA SER A 2 -4.418 -9.735 -7.721 1.00 1.05 C ATOM 19 C SER A 2 -5.328 -10.823 -7.168 1.00 0.74 C ATOM 20 O SER A 2 -6.312 -10.535 -6.491 1.00 0.74 O ATOM 21 CB SER A 2 -3.875 -8.888 -6.571 1.00 1.59 C ATOM 22 OG SER A 2 -3.111 -9.672 -5.670 1.00 2.17 O ATOM 0 H SER A 2 -5.324 -7.954 -8.335 1.00 0.77 H new ATOM 0 HA SER A 2 -3.585 -10.202 -8.246 1.00 1.05 H new ATOM 0 HB2 SER A 2 -3.258 -8.083 -6.969 1.00 1.59 H new ATOM 0 HB3 SER A 2 -4.703 -8.421 -6.038 1.00 1.59 H new ATOM 0 HG SER A 2 -3.514 -9.631 -4.778 1.00 2.17 H new ATOM 28 N LYS A 3 -4.999 -12.073 -7.461 1.00 1.00 N ATOM 29 CA LYS A 3 -5.743 -13.194 -6.907 1.00 1.20 C ATOM 30 C LYS A 3 -5.349 -13.399 -5.445 1.00 1.01 C ATOM 31 O LYS A 3 -6.015 -14.105 -4.692 1.00 1.21 O ATOM 32 CB LYS A 3 -5.490 -14.465 -7.728 1.00 1.77 C ATOM 33 CG LYS A 3 -6.340 -15.644 -7.297 1.00 2.09 C ATOM 34 CD LYS A 3 -7.819 -15.306 -7.340 1.00 2.48 C ATOM 35 CE LYS A 3 -8.655 -16.388 -6.676 1.00 2.97 C ATOM 36 NZ LYS A 3 -8.294 -16.568 -5.242 1.00 3.76 N ATOM 0 H LYS A 3 -4.228 -12.335 -8.075 1.00 1.00 H new ATOM 0 HA LYS A 3 -6.810 -12.975 -6.954 1.00 1.20 H new ATOM 0 HB2 LYS A 3 -5.684 -14.253 -8.780 1.00 1.77 H new ATOM 0 HB3 LYS A 3 -4.438 -14.737 -7.646 1.00 1.77 H new ATOM 0 HG2 LYS A 3 -6.141 -16.495 -7.948 1.00 2.09 H new ATOM 0 HG3 LYS A 3 -6.063 -15.944 -6.286 1.00 2.09 H new ATOM 0 HD2 LYS A 3 -7.991 -14.353 -6.839 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -8.136 -15.184 -8.376 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -9.711 -16.130 -6.755 1.00 2.97 H new ATOM 0 HE3 LYS A 3 -8.517 -17.330 -7.206 1.00 2.97 H new ATOM 0 HZ1 LYS A 3 -9.037 -17.117 -4.763 1.00 3.76 H new ATOM 0 HZ2 LYS A 3 -7.389 -17.076 -5.173 1.00 3.76 H new ATOM 0 HZ3 LYS A 3 -8.204 -15.637 -4.787 1.00 3.76 H new ATOM 50 N TYR A 4 -4.262 -12.750 -5.048 1.00 0.82 N ATOM 51 CA TYR A 4 -3.795 -12.800 -3.673 1.00 0.74 C ATOM 52 C TYR A 4 -4.496 -11.737 -2.827 1.00 0.71 C ATOM 53 O TYR A 4 -4.254 -11.627 -1.629 1.00 0.85 O ATOM 54 CB TYR A 4 -2.283 -12.583 -3.634 1.00 0.79 C ATOM 55 CG TYR A 4 -1.554 -13.595 -2.788 1.00 0.97 C ATOM 56 CD1 TYR A 4 -1.348 -14.884 -3.254 1.00 1.18 C ATOM 57 CD2 TYR A 4 -1.071 -13.267 -1.528 1.00 1.63 C ATOM 58 CE1 TYR A 4 -0.684 -15.823 -2.490 1.00 1.59 C ATOM 59 CE2 TYR A 4 -0.404 -14.199 -0.756 1.00 2.20 C ATOM 60 CZ TYR A 4 -0.211 -15.475 -1.241 1.00 2.07 C ATOM 61 OH TYR A 4 0.455 -16.405 -0.474 1.00 2.69 O ATOM 0 H TYR A 4 -3.685 -12.179 -5.666 1.00 0.82 H new ATOM 0 HA TYR A 4 -4.031 -13.781 -3.260 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -1.892 -12.621 -4.651 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.077 -11.584 -3.250 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -1.713 -15.159 -4.232 1.00 1.18 H new ATOM 0 HD2 TYR A 4 -1.219 -12.268 -1.145 1.00 1.63 H new ATOM 0 HE1 TYR A 4 -0.536 -16.824 -2.868 1.00 1.59 H new ATOM 0 HE2 TYR A 4 -0.036 -13.929 0.223 1.00 2.20 H new ATOM 0 HH TYR A 4 0.722 -15.997 0.376 1.00 2.69 H new ATOM 71 N ALA A 5 -5.372 -10.966 -3.462 1.00 0.72 N ATOM 72 CA ALA A 5 -6.062 -9.871 -2.787 1.00 0.78 C ATOM 73 C ALA A 5 -7.138 -10.386 -1.840 1.00 0.84 C ATOM 74 O ALA A 5 -7.538 -9.691 -0.905 1.00 1.03 O ATOM 75 CB ALA A 5 -6.666 -8.915 -3.805 1.00 1.02 C ATOM 0 H ALA A 5 -5.622 -11.079 -4.444 1.00 0.72 H new ATOM 0 HA ALA A 5 -5.325 -9.333 -2.191 1.00 0.78 H new ATOM 0 HB1 ALA A 5 -7.177 -8.105 -3.285 1.00 1.02 H new ATOM 0 HB2 ALA A 5 -5.875 -8.503 -4.431 1.00 1.02 H new ATOM 0 HB3 ALA A 5 -7.380 -9.452 -4.429 1.00 1.02 H new ATOM 81 N ASN A 6 -7.620 -11.595 -2.089 1.00 0.88 N ATOM 82 CA ASN A 6 -8.618 -12.193 -1.212 1.00 1.15 C ATOM 83 C ASN A 6 -7.951 -13.075 -0.161 1.00 1.35 C ATOM 84 O ASN A 6 -8.510 -13.307 0.909 1.00 1.76 O ATOM 85 CB ASN A 6 -9.654 -13.005 -2.006 1.00 1.22 C ATOM 86 CG ASN A 6 -9.085 -14.267 -2.629 1.00 1.60 C ATOM 87 OD1 ASN A 6 -8.606 -14.252 -3.760 1.00 2.19 O ATOM 88 ND2 ASN A 6 -9.151 -15.369 -1.900 1.00 2.25 N ATOM 0 H ASN A 6 -7.341 -12.175 -2.880 1.00 0.88 H new ATOM 0 HA ASN A 6 -9.142 -11.380 -0.710 1.00 1.15 H new ATOM 0 HB2 ASN A 6 -10.477 -13.275 -1.344 1.00 1.22 H new ATOM 0 HB3 ASN A 6 -10.071 -12.377 -2.793 1.00 1.22 H new ATOM 0 HD21 ASN A 6 -8.796 -16.249 -2.273 1.00 2.25 H new ATOM 0 HD22 ASN A 6 -9.557 -15.338 -0.965 1.00 2.25 H new ATOM 95 N ASN A 7 -6.750 -13.554 -0.462 1.00 1.33 N ATOM 96 CA ASN A 7 -6.028 -14.421 0.460 1.00 1.82 C ATOM 97 C ASN A 7 -4.996 -13.613 1.238 1.00 1.74 C ATOM 98 O ASN A 7 -3.787 -13.776 1.062 1.00 2.40 O ATOM 99 CB ASN A 7 -5.353 -15.582 -0.286 1.00 2.31 C ATOM 100 CG ASN A 7 -4.792 -16.640 0.657 1.00 2.79 C ATOM 101 OD1 ASN A 7 -5.490 -17.578 1.044 1.00 3.33 O ATOM 102 ND2 ASN A 7 -3.530 -16.502 1.032 1.00 3.26 N ATOM 0 H ASN A 7 -6.258 -13.358 -1.333 1.00 1.33 H new ATOM 0 HA ASN A 7 -6.745 -14.847 1.162 1.00 1.82 H new ATOM 0 HB2 ASN A 7 -6.075 -16.046 -0.957 1.00 2.31 H new ATOM 0 HB3 ASN A 7 -4.547 -15.190 -0.907 1.00 2.31 H new ATOM 0 HD21 ASN A 7 -3.107 -17.185 1.661 1.00 3.26 H new ATOM 0 HD22 ASN A 7 -2.980 -15.713 0.692 1.00 3.26 H new ATOM 109 N LEU A 8 -5.486 -12.709 2.068 1.00 1.18 N ATOM 110 CA LEU A 8 -4.641 -11.941 2.947 1.00 1.17 C ATOM 111 C LEU A 8 -5.319 -11.759 4.292 1.00 0.94 C ATOM 112 O LEU A 8 -6.496 -12.083 4.450 1.00 1.12 O ATOM 113 CB LEU A 8 -4.301 -10.587 2.316 1.00 1.36 C ATOM 114 CG LEU A 8 -5.458 -9.823 1.662 1.00 1.46 C ATOM 115 CD1 LEU A 8 -6.430 -9.270 2.697 1.00 1.38 C ATOM 116 CD2 LEU A 8 -4.912 -8.700 0.800 1.00 2.10 C ATOM 0 H LEU A 8 -6.479 -12.492 2.147 1.00 1.18 H new ATOM 0 HA LEU A 8 -3.708 -12.482 3.103 1.00 1.17 H new ATOM 0 HB2 LEU A 8 -3.866 -9.951 3.088 1.00 1.36 H new ATOM 0 HB3 LEU A 8 -3.530 -10.747 1.563 1.00 1.36 H new ATOM 0 HG LEU A 8 -6.011 -10.525 1.038 1.00 1.46 H new ATOM 0 HD11 LEU A 8 -7.235 -8.736 2.192 1.00 1.38 H new ATOM 0 HD12 LEU A 8 -6.849 -10.091 3.278 1.00 1.38 H new ATOM 0 HD13 LEU A 8 -5.903 -8.587 3.363 1.00 1.38 H new ATOM 0 HD21 LEU A 8 -5.739 -8.161 0.338 1.00 2.10 H new ATOM 0 HD22 LEU A 8 -4.333 -8.015 1.419 1.00 2.10 H new ATOM 0 HD23 LEU A 8 -4.271 -9.117 0.023 1.00 2.10 H new ATOM 128 N THR A 9 -4.579 -11.246 5.252 1.00 0.92 N ATOM 129 CA THR A 9 -5.107 -11.016 6.582 1.00 0.82 C ATOM 130 C THR A 9 -5.275 -9.523 6.823 1.00 0.67 C ATOM 131 O THR A 9 -4.443 -8.729 6.389 1.00 0.76 O ATOM 132 CB THR A 9 -4.163 -11.593 7.657 1.00 1.14 C ATOM 133 OG1 THR A 9 -3.796 -12.937 7.316 1.00 1.34 O ATOM 134 CG2 THR A 9 -4.825 -11.582 9.025 1.00 1.25 C ATOM 0 H THR A 9 -3.602 -10.978 5.135 1.00 0.92 H new ATOM 0 HA THR A 9 -6.073 -11.516 6.652 1.00 0.82 H new ATOM 0 HB THR A 9 -3.271 -10.967 7.696 1.00 1.14 H new ATOM 0 HG1 THR A 9 -2.820 -13.006 7.261 1.00 1.34 H new ATOM 0 HG21 THR A 9 -4.139 -11.994 9.765 1.00 1.25 H new ATOM 0 HG22 THR A 9 -5.080 -10.558 9.297 1.00 1.25 H new ATOM 0 HG23 THR A 9 -5.732 -12.186 8.995 1.00 1.25 H new ATOM 142 N GLN A 10 -6.362 -9.135 7.472 1.00 0.63 N ATOM 143 CA GLN A 10 -6.489 -7.777 7.966 1.00 0.63 C ATOM 144 C GLN A 10 -5.908 -7.742 9.367 1.00 0.66 C ATOM 145 O GLN A 10 -6.489 -8.292 10.303 1.00 0.85 O ATOM 146 CB GLN A 10 -7.953 -7.325 7.981 1.00 0.78 C ATOM 147 CG GLN A 10 -8.659 -7.475 6.643 1.00 0.90 C ATOM 148 CD GLN A 10 -10.090 -6.974 6.679 1.00 1.21 C ATOM 149 OE1 GLN A 10 -10.412 -6.026 7.395 1.00 1.49 O ATOM 150 NE2 GLN A 10 -10.960 -7.610 5.911 1.00 1.91 N ATOM 0 H GLN A 10 -7.162 -9.737 7.667 1.00 0.63 H new ATOM 0 HA GLN A 10 -5.952 -7.092 7.310 1.00 0.63 H new ATOM 0 HB2 GLN A 10 -8.493 -7.901 8.732 1.00 0.78 H new ATOM 0 HB3 GLN A 10 -7.997 -6.280 8.289 1.00 0.78 H new ATOM 0 HG2 GLN A 10 -8.105 -6.927 5.881 1.00 0.90 H new ATOM 0 HG3 GLN A 10 -8.653 -8.525 6.349 1.00 0.90 H new ATOM 0 HE21 GLN A 10 -10.653 -8.391 5.332 1.00 1.91 H new ATOM 0 HE22 GLN A 10 -11.937 -7.319 5.898 1.00 1.91 H new ATOM 159 N LEU A 11 -4.759 -7.109 9.501 1.00 0.56 N ATOM 160 CA LEU A 11 -3.978 -7.205 10.717 1.00 0.56 C ATOM 161 C LEU A 11 -3.755 -5.844 11.359 1.00 0.57 C ATOM 162 O LEU A 11 -3.112 -4.966 10.784 1.00 0.73 O ATOM 163 CB LEU A 11 -2.635 -7.871 10.392 1.00 0.62 C ATOM 164 CG LEU A 11 -1.587 -7.851 11.504 1.00 0.53 C ATOM 165 CD1 LEU A 11 -2.111 -8.530 12.760 1.00 0.91 C ATOM 166 CD2 LEU A 11 -0.312 -8.528 11.031 1.00 0.88 C ATOM 0 H LEU A 11 -4.345 -6.520 8.779 1.00 0.56 H new ATOM 0 HA LEU A 11 -4.531 -7.808 11.437 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -2.824 -8.909 10.118 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -2.213 -7.381 9.514 1.00 0.62 H new ATOM 0 HG LEU A 11 -1.368 -6.812 11.749 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -1.345 -8.502 13.535 1.00 0.91 H new ATOM 0 HD12 LEU A 11 -3.002 -8.009 13.111 1.00 0.91 H new ATOM 0 HD13 LEU A 11 -2.362 -9.567 12.535 1.00 0.91 H new ATOM 0 HD21 LEU A 11 0.428 -8.509 11.831 1.00 0.88 H new ATOM 0 HD22 LEU A 11 -0.528 -9.562 10.761 1.00 0.88 H new ATOM 0 HD23 LEU A 11 0.079 -8.000 10.161 1.00 0.88 H new ATOM 178 N ASP A 12 -4.305 -5.670 12.550 1.00 0.63 N ATOM 179 CA ASP A 12 -3.996 -4.506 13.361 1.00 0.83 C ATOM 180 C ASP A 12 -2.742 -4.805 14.169 1.00 0.94 C ATOM 181 O ASP A 12 -2.801 -5.451 15.217 1.00 1.05 O ATOM 182 CB ASP A 12 -5.164 -4.163 14.296 1.00 1.10 C ATOM 183 CG ASP A 12 -4.917 -2.898 15.100 1.00 1.44 C ATOM 184 OD1 ASP A 12 -4.207 -2.970 16.126 1.00 2.02 O ATOM 185 OD2 ASP A 12 -5.429 -1.827 14.716 1.00 1.94 O ATOM 0 H ASP A 12 -4.967 -6.320 12.975 1.00 0.63 H new ATOM 0 HA ASP A 12 -3.830 -3.645 12.714 1.00 0.83 H new ATOM 0 HB2 ASP A 12 -6.073 -4.043 13.707 1.00 1.10 H new ATOM 0 HB3 ASP A 12 -5.335 -4.995 14.979 1.00 1.10 H new ATOM 190 N ASN A 13 -1.603 -4.362 13.659 1.00 1.02 N ATOM 191 CA ASN A 13 -0.317 -4.645 14.287 1.00 1.28 C ATOM 192 C ASN A 13 0.443 -3.347 14.521 1.00 1.44 C ATOM 193 O ASN A 13 1.460 -3.077 13.880 1.00 1.62 O ATOM 194 CB ASN A 13 0.500 -5.603 13.406 1.00 1.46 C ATOM 195 CG ASN A 13 1.719 -6.174 14.114 1.00 1.77 C ATOM 196 OD1 ASN A 13 1.629 -7.189 14.802 1.00 1.90 O ATOM 197 ND2 ASN A 13 2.869 -5.543 13.931 1.00 2.47 N ATOM 0 H ASN A 13 -1.541 -3.803 12.808 1.00 1.02 H new ATOM 0 HA ASN A 13 -0.486 -5.125 15.251 1.00 1.28 H new ATOM 0 HB2 ASN A 13 -0.140 -6.423 13.081 1.00 1.46 H new ATOM 0 HB3 ASN A 13 0.823 -5.075 12.509 1.00 1.46 H new ATOM 0 HD21 ASN A 13 3.720 -5.897 14.368 1.00 2.47 H new ATOM 0 HD22 ASN A 13 2.904 -4.703 13.353 1.00 2.47 H new ATOM 204 N GLY A 14 -0.074 -2.532 15.431 1.00 1.54 N ATOM 205 CA GLY A 14 0.527 -1.238 15.694 1.00 1.82 C ATOM 206 C GLY A 14 0.299 -0.277 14.546 1.00 1.62 C ATOM 207 O GLY A 14 1.051 0.683 14.362 1.00 1.79 O ATOM 0 H GLY A 14 -0.899 -2.743 15.992 1.00 1.54 H new ATOM 0 HA2 GLY A 14 0.107 -0.820 16.609 1.00 1.82 H new ATOM 0 HA3 GLY A 14 1.597 -1.360 15.861 1.00 1.82 H new ATOM 211 N VAL A 15 -0.734 -0.556 13.760 1.00 1.30 N ATOM 212 CA VAL A 15 -1.078 0.269 12.616 1.00 1.12 C ATOM 213 C VAL A 15 -1.727 1.573 13.057 1.00 1.26 C ATOM 214 O VAL A 15 -2.809 1.588 13.647 1.00 1.39 O ATOM 215 CB VAL A 15 -1.998 -0.491 11.632 1.00 0.92 C ATOM 216 CG1 VAL A 15 -3.194 -1.085 12.349 1.00 0.98 C ATOM 217 CG2 VAL A 15 -2.452 0.413 10.489 1.00 0.93 C ATOM 0 H VAL A 15 -1.351 -1.356 13.899 1.00 1.30 H new ATOM 0 HA VAL A 15 -0.151 0.509 12.094 1.00 1.12 H new ATOM 0 HB VAL A 15 -1.417 -1.309 11.206 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -3.823 -1.613 11.632 1.00 0.98 H new ATOM 0 HG12 VAL A 15 -2.851 -1.782 13.113 1.00 0.98 H new ATOM 0 HG13 VAL A 15 -3.770 -0.287 12.818 1.00 0.98 H new ATOM 0 HG21 VAL A 15 -3.097 -0.150 9.814 1.00 0.93 H new ATOM 0 HG22 VAL A 15 -3.003 1.262 10.894 1.00 0.93 H new ATOM 0 HG23 VAL A 15 -1.581 0.773 9.942 1.00 0.93 H new ATOM 227 N ARG A 16 -1.036 2.660 12.793 1.00 1.34 N ATOM 228 CA ARG A 16 -1.547 3.979 13.082 1.00 1.54 C ATOM 229 C ARG A 16 -1.282 4.872 11.884 1.00 1.39 C ATOM 230 O ARG A 16 -0.169 5.360 11.691 1.00 1.49 O ATOM 231 CB ARG A 16 -0.885 4.540 14.342 1.00 1.95 C ATOM 232 CG ARG A 16 -1.741 5.547 15.098 1.00 2.24 C ATOM 233 CD ARG A 16 -1.939 6.845 14.329 1.00 2.54 C ATOM 234 NE ARG A 16 -2.654 7.835 15.130 1.00 3.18 N ATOM 235 CZ ARG A 16 -3.462 8.772 14.638 1.00 3.77 C ATOM 236 NH1 ARG A 16 -3.656 8.883 13.330 1.00 3.91 N ATOM 237 NH2 ARG A 16 -4.071 9.610 15.463 1.00 4.59 N ATOM 0 H ARG A 16 -0.107 2.653 12.373 1.00 1.34 H new ATOM 0 HA ARG A 16 -2.620 3.933 13.267 1.00 1.54 H new ATOM 0 HB2 ARG A 16 -0.640 3.714 15.009 1.00 1.95 H new ATOM 0 HB3 ARG A 16 0.056 5.015 14.064 1.00 1.95 H new ATOM 0 HG2 ARG A 16 -2.714 5.104 15.310 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -1.274 5.766 16.058 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -0.970 7.246 14.033 1.00 2.54 H new ATOM 0 HD3 ARG A 16 -2.495 6.646 13.413 1.00 2.54 H new ATOM 0 HE ARG A 16 -2.525 7.807 16.141 1.00 3.18 H new ATOM 0 HH11 ARG A 16 -3.184 8.246 12.688 1.00 3.91 H new ATOM 0 HH12 ARG A 16 -4.278 9.605 12.966 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -3.920 9.535 16.469 1.00 4.59 H new ATOM 0 HH22 ARG A 16 -4.691 10.330 15.092 1.00 4.59 H new ATOM 251 N ILE A 17 -2.303 5.057 11.075 1.00 1.28 N ATOM 252 CA ILE A 17 -2.176 5.830 9.854 1.00 1.19 C ATOM 253 C ILE A 17 -2.043 7.307 10.202 1.00 1.73 C ATOM 254 O ILE A 17 -2.826 7.839 10.990 1.00 2.16 O ATOM 255 CB ILE A 17 -3.386 5.594 8.924 1.00 1.21 C ATOM 256 CG1 ILE A 17 -3.616 4.090 8.729 1.00 1.00 C ATOM 257 CG2 ILE A 17 -3.153 6.263 7.580 1.00 1.15 C ATOM 258 CD1 ILE A 17 -2.541 3.414 7.905 1.00 0.64 C ATOM 0 H ILE A 17 -3.237 4.681 11.241 1.00 1.28 H new ATOM 0 HA ILE A 17 -1.282 5.506 9.321 1.00 1.19 H new ATOM 0 HB ILE A 17 -4.272 6.030 9.385 1.00 1.21 H new ATOM 0 HG12 ILE A 17 -3.669 3.609 9.706 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -4.581 3.938 8.246 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -4.013 6.089 6.933 1.00 1.15 H new ATOM 0 HG22 ILE A 17 -3.019 7.335 7.726 1.00 1.15 H new ATOM 0 HG23 ILE A 17 -2.260 5.845 7.116 1.00 1.15 H new ATOM 0 HD11 ILE A 17 -2.770 2.353 7.809 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -2.502 3.868 6.915 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -1.576 3.534 8.397 1.00 0.64 H new ATOM 270 N PRO A 18 -1.037 7.981 9.629 1.00 1.80 N ATOM 271 CA PRO A 18 -0.687 9.345 10.004 1.00 2.40 C ATOM 272 C PRO A 18 -1.603 10.377 9.359 1.00 2.55 C ATOM 273 O PRO A 18 -2.217 10.117 8.322 1.00 2.19 O ATOM 274 CB PRO A 18 0.740 9.481 9.479 1.00 2.44 C ATOM 275 CG PRO A 18 0.812 8.570 8.303 1.00 1.82 C ATOM 276 CD PRO A 18 -0.182 7.469 8.543 1.00 1.42 C ATOM 0 HA PRO A 18 -0.784 9.522 11.075 1.00 2.40 H new ATOM 0 HB2 PRO A 18 0.958 10.510 9.194 1.00 2.44 H new ATOM 0 HB3 PRO A 18 1.468 9.200 10.240 1.00 2.44 H new ATOM 0 HG2 PRO A 18 0.579 9.107 7.384 1.00 1.82 H new ATOM 0 HG3 PRO A 18 1.817 8.165 8.189 1.00 1.82 H new ATOM 0 HD2 PRO A 18 -0.763 7.255 7.646 1.00 1.42 H new ATOM 0 HD3 PRO A 18 0.313 6.541 8.830 1.00 1.42 H new ATOM 284 N PRO A 19 -1.696 11.568 9.976 1.00 3.21 N ATOM 285 CA PRO A 19 -2.588 12.650 9.532 1.00 3.52 C ATOM 286 C PRO A 19 -2.312 13.129 8.107 1.00 3.11 C ATOM 287 O PRO A 19 -3.076 13.924 7.560 1.00 3.33 O ATOM 288 CB PRO A 19 -2.310 13.785 10.524 1.00 4.30 C ATOM 289 CG PRO A 19 -1.705 13.124 11.712 1.00 4.44 C ATOM 290 CD PRO A 19 -0.942 11.947 11.184 1.00 3.79 C ATOM 0 HA PRO A 19 -3.623 12.310 9.514 1.00 3.52 H new ATOM 0 HB2 PRO A 19 -1.632 14.524 10.097 1.00 4.30 H new ATOM 0 HB3 PRO A 19 -3.228 14.310 10.790 1.00 4.30 H new ATOM 0 HG2 PRO A 19 -1.046 13.808 12.246 1.00 4.44 H new ATOM 0 HG3 PRO A 19 -2.474 12.807 12.416 1.00 4.44 H new ATOM 0 HD2 PRO A 19 0.089 12.209 10.949 1.00 3.79 H new ATOM 0 HD3 PRO A 19 -0.907 11.133 11.908 1.00 3.79 H new ATOM 298 N SER A 20 -1.226 12.653 7.506 1.00 2.62 N ATOM 299 CA SER A 20 -0.894 13.028 6.137 1.00 2.22 C ATOM 300 C SER A 20 -1.609 12.105 5.149 1.00 1.11 C ATOM 301 O SER A 20 -1.583 12.325 3.938 1.00 1.53 O ATOM 302 CB SER A 20 0.621 12.972 5.921 1.00 3.11 C ATOM 303 OG SER A 20 0.983 13.435 4.627 1.00 3.71 O ATOM 0 H SER A 20 -0.565 12.011 7.943 1.00 2.62 H new ATOM 0 HA SER A 20 -1.229 14.051 5.964 1.00 2.22 H new ATOM 0 HB2 SER A 20 1.119 13.578 6.677 1.00 3.11 H new ATOM 0 HB3 SER A 20 0.970 11.948 6.052 1.00 3.11 H new ATOM 0 HG SER A 20 0.242 13.279 4.005 1.00 3.71 H new ATOM 309 N GLY A 21 -2.231 11.061 5.685 1.00 1.33 N ATOM 310 CA GLY A 21 -2.957 10.097 4.873 1.00 1.87 C ATOM 311 C GLY A 21 -2.046 9.061 4.250 1.00 1.69 C ATOM 312 O GLY A 21 -2.467 7.934 3.982 1.00 2.56 O ATOM 0 H GLY A 21 -2.246 10.862 6.685 1.00 1.33 H new ATOM 0 HA2 GLY A 21 -3.703 9.596 5.490 1.00 1.87 H new ATOM 0 HA3 GLY A 21 -3.496 10.623 4.085 1.00 1.87 H new ATOM 316 N TRP A 22 -0.790 9.434 4.042 1.00 0.80 N ATOM 317 CA TRP A 22 0.218 8.515 3.557 1.00 0.60 C ATOM 318 C TRP A 22 1.610 9.095 3.713 1.00 0.47 C ATOM 319 O TRP A 22 1.837 10.283 3.478 1.00 0.57 O ATOM 320 CB TRP A 22 -0.024 8.132 2.095 1.00 0.60 C ATOM 321 CG TRP A 22 -0.271 9.287 1.165 1.00 0.94 C ATOM 322 CD1 TRP A 22 0.665 10.124 0.633 1.00 1.96 C ATOM 323 CD2 TRP A 22 -1.534 9.720 0.646 1.00 1.26 C ATOM 324 NE1 TRP A 22 0.065 11.052 -0.180 1.00 2.25 N ATOM 325 CE2 TRP A 22 -1.285 10.826 -0.190 1.00 1.73 C ATOM 326 CE3 TRP A 22 -2.850 9.282 0.806 1.00 2.10 C ATOM 327 CZ2 TRP A 22 -2.304 11.497 -0.862 1.00 2.22 C ATOM 328 CZ3 TRP A 22 -3.861 9.948 0.139 1.00 2.82 C ATOM 329 CH2 TRP A 22 -3.582 11.044 -0.686 1.00 2.65 C ATOM 0 H TRP A 22 -0.447 10.381 4.206 1.00 0.80 H new ATOM 0 HA TRP A 22 0.143 7.613 4.165 1.00 0.60 H new ATOM 0 HB2 TRP A 22 0.840 7.574 1.734 1.00 0.60 H new ATOM 0 HB3 TRP A 22 -0.880 7.459 2.049 1.00 0.60 H new ATOM 0 HD1 TRP A 22 1.726 10.065 0.824 1.00 1.96 H new ATOM 0 HE1 TRP A 22 0.547 11.790 -0.693 1.00 2.25 H new ATOM 0 HE3 TRP A 22 -3.074 8.437 1.440 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -2.092 12.344 -1.498 1.00 2.22 H new ATOM 0 HZ3 TRP A 22 -4.883 9.618 0.256 1.00 2.82 H new ATOM 0 HH2 TRP A 22 -4.394 11.543 -1.195 1.00 2.65 H new ATOM 340 N LYS A 23 2.518 8.239 4.147 1.00 0.41 N ATOM 341 CA LYS A 23 3.933 8.545 4.213 1.00 0.39 C ATOM 342 C LYS A 23 4.681 7.345 4.754 1.00 0.37 C ATOM 343 O LYS A 23 4.232 6.699 5.703 1.00 0.39 O ATOM 344 CB LYS A 23 4.211 9.764 5.086 1.00 0.51 C ATOM 345 CG LYS A 23 5.689 10.102 5.178 1.00 0.59 C ATOM 346 CD LYS A 23 5.920 11.479 5.752 1.00 0.70 C ATOM 347 CE LYS A 23 5.251 12.533 4.896 1.00 0.67 C ATOM 348 NZ LYS A 23 5.834 13.874 5.141 1.00 1.23 N ATOM 0 H LYS A 23 2.288 7.298 4.468 1.00 0.41 H new ATOM 0 HA LYS A 23 4.275 8.778 3.205 1.00 0.39 H new ATOM 0 HB2 LYS A 23 3.672 10.622 4.685 1.00 0.51 H new ATOM 0 HB3 LYS A 23 3.822 9.583 6.088 1.00 0.51 H new ATOM 0 HG2 LYS A 23 6.192 9.361 5.799 1.00 0.59 H new ATOM 0 HG3 LYS A 23 6.137 10.043 4.186 1.00 0.59 H new ATOM 0 HD2 LYS A 23 5.528 11.526 6.768 1.00 0.70 H new ATOM 0 HD3 LYS A 23 6.990 11.678 5.814 1.00 0.70 H new ATOM 0 HE2 LYS A 23 5.361 12.273 3.843 1.00 0.67 H new ATOM 0 HE3 LYS A 23 4.182 12.554 5.110 1.00 0.67 H new ATOM 0 HZ1 LYS A 23 5.752 14.451 4.279 1.00 1.23 H new ATOM 0 HZ2 LYS A 23 5.322 14.338 5.918 1.00 1.23 H new ATOM 0 HZ3 LYS A 23 6.837 13.775 5.397 1.00 1.23 H new ATOM 362 N CYS A 24 5.804 7.048 4.126 1.00 0.37 N ATOM 363 CA CYS A 24 6.645 5.939 4.524 1.00 0.40 C ATOM 364 C CYS A 24 7.087 6.094 5.978 1.00 0.48 C ATOM 365 O CYS A 24 7.504 7.170 6.404 1.00 0.57 O ATOM 366 CB CYS A 24 7.846 5.843 3.575 1.00 0.46 C ATOM 367 SG CYS A 24 9.326 5.139 4.319 1.00 0.80 S ATOM 0 H CYS A 24 6.157 7.571 3.325 1.00 0.37 H new ATOM 0 HA CYS A 24 6.078 5.010 4.457 1.00 0.40 H new ATOM 0 HB2 CYS A 24 7.565 5.239 2.713 1.00 0.46 H new ATOM 0 HB3 CYS A 24 8.080 6.840 3.203 1.00 0.46 H new ATOM 372 N ALA A 25 6.965 5.004 6.729 1.00 0.50 N ATOM 373 CA ALA A 25 7.266 4.982 8.159 1.00 0.62 C ATOM 374 C ALA A 25 8.730 5.313 8.462 1.00 0.70 C ATOM 375 O ALA A 25 9.080 5.588 9.608 1.00 0.90 O ATOM 376 CB ALA A 25 6.900 3.624 8.725 1.00 0.72 C ATOM 0 H ALA A 25 6.653 4.105 6.362 1.00 0.50 H new ATOM 0 HA ALA A 25 6.670 5.760 8.636 1.00 0.62 H new ATOM 0 HB1 ALA A 25 7.123 3.602 9.792 1.00 0.72 H new ATOM 0 HB2 ALA A 25 5.836 3.441 8.573 1.00 0.72 H new ATOM 0 HB3 ALA A 25 7.477 2.851 8.218 1.00 0.72 H new ATOM 382 N ARG A 26 9.582 5.285 7.445 1.00 0.72 N ATOM 383 CA ARG A 26 10.993 5.598 7.626 1.00 0.88 C ATOM 384 C ARG A 26 11.340 6.944 6.991 1.00 0.84 C ATOM 385 O ARG A 26 11.253 7.988 7.640 1.00 0.94 O ATOM 386 CB ARG A 26 11.875 4.504 7.026 1.00 1.00 C ATOM 387 CG ARG A 26 12.137 3.328 7.945 1.00 1.18 C ATOM 388 CD ARG A 26 10.976 2.354 7.927 1.00 1.06 C ATOM 389 NE ARG A 26 11.270 1.134 8.675 1.00 1.71 N ATOM 390 CZ ARG A 26 10.350 0.255 9.064 1.00 1.86 C ATOM 391 NH1 ARG A 26 9.060 0.506 8.877 1.00 1.80 N ATOM 392 NH2 ARG A 26 10.718 -0.870 9.661 1.00 2.59 N ATOM 0 H ARG A 26 9.321 5.049 6.488 1.00 0.72 H new ATOM 0 HA ARG A 26 11.182 5.656 8.698 1.00 0.88 H new ATOM 0 HB2 ARG A 26 11.405 4.137 6.113 1.00 1.00 H new ATOM 0 HB3 ARG A 26 12.830 4.943 6.738 1.00 1.00 H new ATOM 0 HG2 ARG A 26 13.049 2.817 7.637 1.00 1.18 H new ATOM 0 HG3 ARG A 26 12.300 3.686 8.962 1.00 1.18 H new ATOM 0 HD2 ARG A 26 10.094 2.834 8.350 1.00 1.06 H new ATOM 0 HD3 ARG A 26 10.735 2.097 6.896 1.00 1.06 H new ATOM 0 HE ARG A 26 12.243 0.944 8.914 1.00 1.71 H new ATOM 0 HH11 ARG A 26 8.769 1.377 8.433 1.00 1.80 H new ATOM 0 HH12 ARG A 26 8.360 -0.172 9.177 1.00 1.80 H new ATOM 0 HH21 ARG A 26 11.707 -1.062 9.822 1.00 2.59 H new ATOM 0 HH22 ARG A 26 10.012 -1.544 9.959 1.00 2.59 H new ATOM 406 N CYS A 27 11.750 6.900 5.725 1.00 0.75 N ATOM 407 CA CYS A 27 12.091 8.097 4.963 1.00 0.75 C ATOM 408 C CYS A 27 10.892 9.011 4.737 1.00 0.75 C ATOM 409 O CYS A 27 9.748 8.557 4.667 1.00 0.85 O ATOM 410 CB CYS A 27 12.651 7.689 3.611 1.00 0.75 C ATOM 411 SG CYS A 27 12.905 5.907 3.443 1.00 0.76 S ATOM 0 H CYS A 27 11.855 6.032 5.199 1.00 0.75 H new ATOM 0 HA CYS A 27 12.827 8.650 5.546 1.00 0.75 H new ATOM 0 HB2 CYS A 27 11.971 8.026 2.828 1.00 0.75 H new ATOM 0 HB3 CYS A 27 13.600 8.200 3.451 1.00 0.75 H new ATOM 416 N ASP A 28 11.187 10.288 4.560 1.00 0.72 N ATOM 417 CA ASP A 28 10.167 11.307 4.351 1.00 0.74 C ATOM 418 C ASP A 28 9.860 11.470 2.866 1.00 0.68 C ATOM 419 O ASP A 28 10.266 12.436 2.219 1.00 0.89 O ATOM 420 CB ASP A 28 10.611 12.640 4.968 1.00 0.86 C ATOM 421 CG ASP A 28 9.700 13.805 4.614 1.00 1.34 C ATOM 422 OD1 ASP A 28 8.489 13.730 4.927 1.00 2.00 O ATOM 423 OD2 ASP A 28 10.176 14.792 4.015 1.00 1.66 O ATOM 0 H ASP A 28 12.141 10.650 4.557 1.00 0.72 H new ATOM 0 HA ASP A 28 9.252 10.986 4.848 1.00 0.74 H new ATOM 0 HB2 ASP A 28 10.649 12.535 6.052 1.00 0.86 H new ATOM 0 HB3 ASP A 28 11.624 12.866 4.634 1.00 0.86 H new ATOM 428 N LEU A 29 9.191 10.480 2.314 1.00 0.53 N ATOM 429 CA LEU A 29 8.638 10.593 0.987 1.00 0.47 C ATOM 430 C LEU A 29 7.125 10.695 1.054 1.00 0.48 C ATOM 431 O LEU A 29 6.471 9.976 1.809 1.00 0.51 O ATOM 432 CB LEU A 29 9.089 9.419 0.127 1.00 0.46 C ATOM 433 CG LEU A 29 10.532 9.539 -0.346 1.00 0.48 C ATOM 434 CD1 LEU A 29 10.995 8.256 -1.006 1.00 0.52 C ATOM 435 CD2 LEU A 29 10.653 10.718 -1.293 1.00 0.56 C ATOM 0 H LEU A 29 9.018 9.584 2.769 1.00 0.53 H new ATOM 0 HA LEU A 29 9.008 11.506 0.520 1.00 0.47 H new ATOM 0 HB2 LEU A 29 8.976 8.496 0.696 1.00 0.46 H new ATOM 0 HB3 LEU A 29 8.435 9.341 -0.741 1.00 0.46 H new ATOM 0 HG LEU A 29 11.178 9.709 0.515 1.00 0.48 H new ATOM 0 HD11 LEU A 29 12.028 8.368 -1.335 1.00 0.52 H new ATOM 0 HD12 LEU A 29 10.928 7.435 -0.292 1.00 0.52 H new ATOM 0 HD13 LEU A 29 10.362 8.041 -1.867 1.00 0.52 H new ATOM 0 HD21 LEU A 29 11.685 10.807 -1.633 1.00 0.56 H new ATOM 0 HD22 LEU A 29 10.000 10.564 -2.152 1.00 0.56 H new ATOM 0 HD23 LEU A 29 10.362 11.632 -0.775 1.00 0.56 H new ATOM 447 N ARG A 30 6.579 11.612 0.275 1.00 0.51 N ATOM 448 CA ARG A 30 5.151 11.892 0.295 1.00 0.59 C ATOM 449 C ARG A 30 4.488 11.232 -0.907 1.00 0.60 C ATOM 450 O ARG A 30 3.279 11.329 -1.107 1.00 0.71 O ATOM 451 CB ARG A 30 4.923 13.399 0.233 1.00 0.72 C ATOM 452 CG ARG A 30 5.841 14.188 1.145 1.00 0.94 C ATOM 453 CD ARG A 30 5.778 15.668 0.826 1.00 1.06 C ATOM 454 NE ARG A 30 6.757 16.449 1.584 1.00 2.05 N ATOM 455 CZ ARG A 30 6.771 17.783 1.628 1.00 2.56 C ATOM 456 NH1 ARG A 30 5.853 18.484 0.975 1.00 2.36 N ATOM 457 NH2 ARG A 30 7.701 18.422 2.327 1.00 3.67 N ATOM 0 H ARG A 30 7.108 12.181 -0.386 1.00 0.51 H new ATOM 0 HA ARG A 30 4.719 11.497 1.214 1.00 0.59 H new ATOM 0 HB2 ARG A 30 5.065 13.738 -0.793 1.00 0.72 H new ATOM 0 HB3 ARG A 30 3.888 13.613 0.499 1.00 0.72 H new ATOM 0 HG2 ARG A 30 5.557 14.023 2.184 1.00 0.94 H new ATOM 0 HG3 ARG A 30 6.865 13.831 1.034 1.00 0.94 H new ATOM 0 HD2 ARG A 30 5.950 15.814 -0.240 1.00 1.06 H new ATOM 0 HD3 ARG A 30 4.776 16.040 1.041 1.00 1.06 H new ATOM 0 HE ARG A 30 7.471 15.944 2.110 1.00 2.05 H new ATOM 0 HH11 ARG A 30 5.132 18.004 0.436 1.00 2.36 H new ATOM 0 HH12 ARG A 30 5.868 19.503 1.012 1.00 2.36 H new ATOM 0 HH21 ARG A 30 8.411 17.893 2.835 1.00 3.67 H new ATOM 0 HH22 ARG A 30 7.706 19.442 2.357 1.00 3.67 H new ATOM 471 N GLU A 31 5.309 10.557 -1.698 1.00 0.55 N ATOM 472 CA GLU A 31 4.890 9.994 -2.971 1.00 0.65 C ATOM 473 C GLU A 31 5.580 8.654 -3.187 1.00 0.55 C ATOM 474 O GLU A 31 6.606 8.379 -2.559 1.00 0.49 O ATOM 475 CB GLU A 31 5.254 10.969 -4.099 1.00 0.81 C ATOM 476 CG GLU A 31 4.858 10.516 -5.497 1.00 1.49 C ATOM 477 CD GLU A 31 3.369 10.281 -5.650 1.00 2.12 C ATOM 478 OE1 GLU A 31 2.619 11.269 -5.817 1.00 2.82 O ATOM 479 OE2 GLU A 31 2.949 9.108 -5.630 1.00 2.41 O ATOM 0 H GLU A 31 6.289 10.384 -1.473 1.00 0.55 H new ATOM 0 HA GLU A 31 3.811 9.837 -2.970 1.00 0.65 H new ATOM 0 HB2 GLU A 31 4.778 11.928 -3.896 1.00 0.81 H new ATOM 0 HB3 GLU A 31 6.331 11.137 -4.080 1.00 0.81 H new ATOM 0 HG2 GLU A 31 5.177 11.268 -6.219 1.00 1.49 H new ATOM 0 HG3 GLU A 31 5.391 9.596 -5.738 1.00 1.49 H new ATOM 486 N ASN A 32 5.017 7.841 -4.077 1.00 0.60 N ATOM 487 CA ASN A 32 5.555 6.515 -4.388 1.00 0.61 C ATOM 488 C ASN A 32 5.662 5.678 -3.119 1.00 0.50 C ATOM 489 O ASN A 32 6.724 5.141 -2.778 1.00 0.54 O ATOM 490 CB ASN A 32 6.914 6.631 -5.081 1.00 0.69 C ATOM 491 CG ASN A 32 7.257 5.408 -5.906 1.00 1.23 C ATOM 492 OD1 ASN A 32 6.385 4.627 -6.287 1.00 1.82 O ATOM 493 ND2 ASN A 32 8.527 5.263 -6.231 1.00 2.01 N ATOM 0 H ASN A 32 4.177 8.080 -4.603 1.00 0.60 H new ATOM 0 HA ASN A 32 4.871 6.015 -5.073 1.00 0.61 H new ATOM 0 HB2 ASN A 32 6.915 7.510 -5.725 1.00 0.69 H new ATOM 0 HB3 ASN A 32 7.688 6.786 -4.329 1.00 0.69 H new ATOM 0 HD21 ASN A 32 8.817 4.481 -6.819 1.00 2.01 H new ATOM 0 HD22 ASN A 32 9.219 5.932 -5.895 1.00 2.01 H new ATOM 500 N LEU A 33 4.545 5.598 -2.419 1.00 0.41 N ATOM 501 CA LEU A 33 4.470 4.883 -1.162 1.00 0.32 C ATOM 502 C LEU A 33 3.661 3.614 -1.340 1.00 0.30 C ATOM 503 O LEU A 33 2.806 3.542 -2.217 1.00 0.34 O ATOM 504 CB LEU A 33 3.807 5.761 -0.107 1.00 0.31 C ATOM 505 CG LEU A 33 4.433 7.137 0.078 1.00 0.34 C ATOM 506 CD1 LEU A 33 3.405 8.102 0.631 1.00 0.39 C ATOM 507 CD2 LEU A 33 5.629 7.059 1.010 1.00 0.32 C ATOM 0 H LEU A 33 3.666 6.027 -2.707 1.00 0.41 H new ATOM 0 HA LEU A 33 5.479 4.627 -0.839 1.00 0.32 H new ATOM 0 HB2 LEU A 33 2.757 5.890 -0.372 1.00 0.31 H new ATOM 0 HB3 LEU A 33 3.833 5.236 0.848 1.00 0.31 H new ATOM 0 HG LEU A 33 4.775 7.497 -0.893 1.00 0.34 H new ATOM 0 HD11 LEU A 33 3.860 9.084 0.761 1.00 0.39 H new ATOM 0 HD12 LEU A 33 2.568 8.179 -0.063 1.00 0.39 H new ATOM 0 HD13 LEU A 33 3.046 7.739 1.594 1.00 0.39 H new ATOM 0 HD21 LEU A 33 6.063 8.052 1.130 1.00 0.32 H new ATOM 0 HD22 LEU A 33 5.309 6.683 1.982 1.00 0.32 H new ATOM 0 HD23 LEU A 33 6.375 6.386 0.589 1.00 0.32 H new ATOM 519 N TRP A 34 3.918 2.626 -0.507 1.00 0.28 N ATOM 520 CA TRP A 34 3.178 1.385 -0.566 1.00 0.28 C ATOM 521 C TRP A 34 2.433 1.156 0.737 1.00 0.27 C ATOM 522 O TRP A 34 3.044 0.953 1.788 1.00 0.31 O ATOM 523 CB TRP A 34 4.101 0.198 -0.849 1.00 0.32 C ATOM 524 CG TRP A 34 5.177 0.482 -1.855 1.00 0.57 C ATOM 525 CD1 TRP A 34 6.497 0.690 -1.593 1.00 1.79 C ATOM 526 CD2 TRP A 34 5.029 0.585 -3.276 1.00 0.53 C ATOM 527 NE1 TRP A 34 7.180 0.919 -2.762 1.00 1.85 N ATOM 528 CE2 TRP A 34 6.303 0.861 -3.808 1.00 0.73 C ATOM 529 CE3 TRP A 34 3.946 0.471 -4.150 1.00 1.77 C ATOM 530 CZ2 TRP A 34 6.522 1.025 -5.173 1.00 0.67 C ATOM 531 CZ3 TRP A 34 4.165 0.635 -5.504 1.00 2.25 C ATOM 532 CH2 TRP A 34 5.444 0.909 -6.005 1.00 1.47 C ATOM 0 H TRP A 34 4.634 2.660 0.219 1.00 0.28 H new ATOM 0 HA TRP A 34 2.462 1.463 -1.384 1.00 0.28 H new ATOM 0 HB2 TRP A 34 4.566 -0.117 0.085 1.00 0.32 H new ATOM 0 HB3 TRP A 34 3.500 -0.639 -1.203 1.00 0.32 H new ATOM 0 HD1 TRP A 34 6.942 0.677 -0.609 1.00 1.79 H new ATOM 0 HE1 TRP A 34 8.180 1.103 -2.837 1.00 1.85 H new ATOM 0 HE3 TRP A 34 2.956 0.259 -3.775 1.00 1.77 H new ATOM 0 HZ2 TRP A 34 7.508 1.236 -5.560 1.00 0.67 H new ATOM 0 HZ3 TRP A 34 3.334 0.550 -6.189 1.00 2.25 H new ATOM 0 HH2 TRP A 34 5.581 1.031 -7.069 1.00 1.47 H new ATOM 543 N LEU A 35 1.119 1.227 0.662 1.00 0.25 N ATOM 544 CA LEU A 35 0.261 0.951 1.801 1.00 0.26 C ATOM 545 C LEU A 35 0.006 -0.550 1.871 1.00 0.27 C ATOM 546 O LEU A 35 -0.759 -1.086 1.072 1.00 0.29 O ATOM 547 CB LEU A 35 -1.061 1.713 1.638 1.00 0.28 C ATOM 548 CG LEU A 35 -1.887 1.974 2.908 1.00 0.32 C ATOM 549 CD1 LEU A 35 -3.179 2.674 2.531 1.00 0.36 C ATOM 550 CD2 LEU A 35 -2.193 0.695 3.674 1.00 0.32 C ATOM 0 H LEU A 35 0.615 1.477 -0.189 1.00 0.25 H new ATOM 0 HA LEU A 35 0.740 1.277 2.724 1.00 0.26 H new ATOM 0 HB2 LEU A 35 -0.841 2.675 1.176 1.00 0.28 H new ATOM 0 HB3 LEU A 35 -1.686 1.158 0.938 1.00 0.28 H new ATOM 0 HG LEU A 35 -1.293 2.607 3.567 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -3.767 2.861 3.429 1.00 0.36 H new ATOM 0 HD12 LEU A 35 -2.950 3.622 2.044 1.00 0.36 H new ATOM 0 HD13 LEU A 35 -3.749 2.043 1.849 1.00 0.36 H new ATOM 0 HD21 LEU A 35 -2.778 0.934 4.562 1.00 0.32 H new ATOM 0 HD22 LEU A 35 -2.761 0.016 3.037 1.00 0.32 H new ATOM 0 HD23 LEU A 35 -1.260 0.217 3.972 1.00 0.32 H new ATOM 562 N ASN A 36 0.663 -1.220 2.808 1.00 0.28 N ATOM 563 CA ASN A 36 0.532 -2.667 2.954 1.00 0.30 C ATOM 564 C ASN A 36 -0.909 -3.049 3.297 1.00 0.30 C ATOM 565 O ASN A 36 -1.482 -2.538 4.258 1.00 0.35 O ATOM 566 CB ASN A 36 1.481 -3.180 4.036 1.00 0.37 C ATOM 567 CG ASN A 36 1.856 -4.634 3.825 1.00 0.83 C ATOM 568 OD1 ASN A 36 2.801 -4.947 3.104 1.00 1.62 O ATOM 569 ND2 ASN A 36 1.140 -5.534 4.477 1.00 1.44 N ATOM 0 H ASN A 36 1.294 -0.785 3.481 1.00 0.28 H new ATOM 0 HA ASN A 36 0.796 -3.130 2.003 1.00 0.30 H new ATOM 0 HB2 ASN A 36 2.385 -2.571 4.043 1.00 0.37 H new ATOM 0 HB3 ASN A 36 1.012 -3.066 5.013 1.00 0.37 H new ATOM 0 HD21 ASN A 36 1.365 -6.525 4.390 1.00 1.44 H new ATOM 0 HD22 ASN A 36 0.362 -5.237 5.067 1.00 1.44 H new ATOM 576 N LEU A 37 -1.473 -3.974 2.521 1.00 0.28 N ATOM 577 CA LEU A 37 -2.899 -4.304 2.609 1.00 0.31 C ATOM 578 C LEU A 37 -3.230 -5.084 3.874 1.00 0.33 C ATOM 579 O LEU A 37 -4.389 -5.165 4.278 1.00 0.40 O ATOM 580 CB LEU A 37 -3.335 -5.112 1.379 1.00 0.33 C ATOM 581 CG LEU A 37 -3.624 -4.296 0.112 1.00 0.41 C ATOM 582 CD1 LEU A 37 -4.886 -3.472 0.285 1.00 0.59 C ATOM 583 CD2 LEU A 37 -2.465 -3.387 -0.216 1.00 0.54 C ATOM 0 H LEU A 37 -0.963 -4.512 1.820 1.00 0.28 H new ATOM 0 HA LEU A 37 -3.445 -3.361 2.644 1.00 0.31 H new ATOM 0 HB2 LEU A 37 -2.556 -5.839 1.150 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -4.231 -5.676 1.637 1.00 0.33 H new ATOM 0 HG LEU A 37 -3.766 -4.996 -0.712 1.00 0.41 H new ATOM 0 HD11 LEU A 37 -5.075 -2.900 -0.624 1.00 0.59 H new ATOM 0 HD12 LEU A 37 -5.730 -4.135 0.478 1.00 0.59 H new ATOM 0 HD13 LEU A 37 -4.762 -2.788 1.125 1.00 0.59 H new ATOM 0 HD21 LEU A 37 -2.692 -2.818 -1.118 1.00 0.54 H new ATOM 0 HD22 LEU A 37 -2.296 -2.700 0.613 1.00 0.54 H new ATOM 0 HD23 LEU A 37 -1.569 -3.985 -0.381 1.00 0.54 H new ATOM 595 N THR A 38 -2.216 -5.658 4.488 1.00 0.32 N ATOM 596 CA THR A 38 -2.420 -6.484 5.666 1.00 0.37 C ATOM 597 C THR A 38 -2.361 -5.675 6.963 1.00 0.35 C ATOM 598 O THR A 38 -3.377 -5.501 7.638 1.00 0.40 O ATOM 599 CB THR A 38 -1.395 -7.636 5.722 1.00 0.43 C ATOM 600 OG1 THR A 38 -1.621 -8.524 4.623 1.00 0.53 O ATOM 601 CG2 THR A 38 -1.500 -8.402 7.038 1.00 0.48 C ATOM 0 H THR A 38 -1.243 -5.570 4.194 1.00 0.32 H new ATOM 0 HA THR A 38 -3.423 -6.901 5.579 1.00 0.37 H new ATOM 0 HB THR A 38 -0.392 -7.213 5.657 1.00 0.43 H new ATOM 0 HG1 THR A 38 -1.060 -9.321 4.725 1.00 0.53 H new ATOM 0 HG21 THR A 38 -0.766 -9.208 7.050 1.00 0.48 H new ATOM 0 HG22 THR A 38 -1.308 -7.724 7.870 1.00 0.48 H new ATOM 0 HG23 THR A 38 -2.501 -8.822 7.136 1.00 0.48 H new ATOM 609 N ASP A 39 -1.180 -5.172 7.297 1.00 0.34 N ATOM 610 CA ASP A 39 -0.951 -4.571 8.605 1.00 0.36 C ATOM 611 C ASP A 39 -0.829 -3.052 8.513 1.00 0.32 C ATOM 612 O ASP A 39 -0.403 -2.391 9.463 1.00 0.48 O ATOM 613 CB ASP A 39 0.310 -5.178 9.234 1.00 0.45 C ATOM 614 CG ASP A 39 1.584 -4.780 8.507 1.00 0.95 C ATOM 615 OD1 ASP A 39 1.511 -4.428 7.311 1.00 1.44 O ATOM 616 OD2 ASP A 39 2.669 -4.799 9.131 1.00 1.32 O ATOM 0 H ASP A 39 -0.367 -5.168 6.682 1.00 0.34 H new ATOM 0 HA ASP A 39 -1.812 -4.787 9.238 1.00 0.36 H new ATOM 0 HB2 ASP A 39 0.378 -4.863 10.275 1.00 0.45 H new ATOM 0 HB3 ASP A 39 0.223 -6.264 9.235 1.00 0.45 H new ATOM 621 N GLY A 40 -1.204 -2.505 7.361 1.00 0.28 N ATOM 622 CA GLY A 40 -1.192 -1.064 7.168 1.00 0.27 C ATOM 623 C GLY A 40 0.194 -0.457 7.236 1.00 0.29 C ATOM 624 O GLY A 40 0.349 0.699 7.635 1.00 0.39 O ATOM 0 H GLY A 40 -1.519 -3.038 6.551 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -1.635 -0.831 6.200 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -1.822 -0.599 7.926 1.00 0.27 H new ATOM 628 N SER A 41 1.205 -1.231 6.880 1.00 0.29 N ATOM 629 CA SER A 41 2.557 -0.707 6.819 1.00 0.38 C ATOM 630 C SER A 41 2.737 0.158 5.583 1.00 0.32 C ATOM 631 O SER A 41 2.754 -0.339 4.459 1.00 0.32 O ATOM 632 CB SER A 41 3.579 -1.839 6.824 1.00 0.51 C ATOM 633 OG SER A 41 3.610 -2.485 8.083 1.00 0.93 O ATOM 0 H SER A 41 1.116 -2.216 6.631 1.00 0.29 H new ATOM 0 HA SER A 41 2.722 -0.092 7.704 1.00 0.38 H new ATOM 0 HB2 SER A 41 3.332 -2.561 6.046 1.00 0.51 H new ATOM 0 HB3 SER A 41 4.567 -1.443 6.589 1.00 0.51 H new ATOM 0 HG SER A 41 3.893 -3.416 7.966 1.00 0.93 H new ATOM 639 N VAL A 42 2.855 1.452 5.802 1.00 0.32 N ATOM 640 CA VAL A 42 3.054 2.388 4.717 1.00 0.28 C ATOM 641 C VAL A 42 4.535 2.666 4.546 1.00 0.29 C ATOM 642 O VAL A 42 5.179 3.276 5.401 1.00 0.35 O ATOM 643 CB VAL A 42 2.305 3.716 4.936 1.00 0.28 C ATOM 644 CG1 VAL A 42 2.553 4.658 3.764 1.00 0.26 C ATOM 645 CG2 VAL A 42 0.814 3.470 5.128 1.00 0.31 C ATOM 0 H VAL A 42 2.816 1.880 6.727 1.00 0.32 H new ATOM 0 HA VAL A 42 2.647 1.928 3.817 1.00 0.28 H new ATOM 0 HB VAL A 42 2.686 4.185 5.843 1.00 0.28 H new ATOM 0 HG11 VAL A 42 2.019 5.593 3.930 1.00 0.26 H new ATOM 0 HG12 VAL A 42 3.621 4.860 3.679 1.00 0.26 H new ATOM 0 HG13 VAL A 42 2.197 4.195 2.844 1.00 0.26 H new ATOM 0 HG21 VAL A 42 0.305 4.422 5.281 1.00 0.31 H new ATOM 0 HG22 VAL A 42 0.409 2.980 4.242 1.00 0.31 H new ATOM 0 HG23 VAL A 42 0.660 2.832 5.998 1.00 0.31 H new ATOM 655 N LEU A 43 5.073 2.194 3.449 1.00 0.28 N ATOM 656 CA LEU A 43 6.481 2.349 3.164 1.00 0.33 C ATOM 657 C LEU A 43 6.634 3.109 1.863 1.00 0.30 C ATOM 658 O LEU A 43 5.647 3.567 1.308 1.00 0.29 O ATOM 659 CB LEU A 43 7.127 0.968 3.083 1.00 0.44 C ATOM 660 CG LEU A 43 6.887 0.085 4.313 1.00 0.51 C ATOM 661 CD1 LEU A 43 7.421 -1.316 4.083 1.00 0.63 C ATOM 662 CD2 LEU A 43 7.524 0.704 5.549 1.00 0.54 C ATOM 0 H LEU A 43 4.551 1.693 2.730 1.00 0.28 H new ATOM 0 HA LEU A 43 6.978 2.912 3.954 1.00 0.33 H new ATOM 0 HB2 LEU A 43 6.746 0.453 2.201 1.00 0.44 H new ATOM 0 HB3 LEU A 43 8.201 1.090 2.942 1.00 0.44 H new ATOM 0 HG LEU A 43 5.812 0.017 4.478 1.00 0.51 H new ATOM 0 HD11 LEU A 43 7.240 -1.925 4.969 1.00 0.63 H new ATOM 0 HD12 LEU A 43 6.915 -1.762 3.227 1.00 0.63 H new ATOM 0 HD13 LEU A 43 8.492 -1.270 3.888 1.00 0.63 H new ATOM 0 HD21 LEU A 43 7.343 0.063 6.412 1.00 0.54 H new ATOM 0 HD22 LEU A 43 8.598 0.807 5.392 1.00 0.54 H new ATOM 0 HD23 LEU A 43 7.088 1.687 5.730 1.00 0.54 H new ATOM 674 N CYS A 44 7.853 3.274 1.386 1.00 0.40 N ATOM 675 CA CYS A 44 8.044 3.950 0.103 1.00 0.46 C ATOM 676 C CYS A 44 8.911 3.084 -0.813 1.00 0.61 C ATOM 677 O CYS A 44 9.316 1.998 -0.409 1.00 0.71 O ATOM 678 CB CYS A 44 8.613 5.369 0.306 1.00 0.52 C ATOM 679 SG CYS A 44 10.391 5.500 0.635 1.00 0.71 S ATOM 0 H CYS A 44 8.708 2.962 1.847 1.00 0.40 H new ATOM 0 HA CYS A 44 7.080 4.080 -0.388 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.389 5.955 -0.585 1.00 0.52 H new ATOM 0 HB3 CYS A 44 8.079 5.833 1.135 1.00 0.52 H new ATOM 684 N GLY A 45 9.173 3.507 -2.042 1.00 0.68 N ATOM 685 CA GLY A 45 9.976 2.658 -2.908 1.00 0.87 C ATOM 686 C GLY A 45 10.276 3.252 -4.261 1.00 1.23 C ATOM 687 O GLY A 45 9.675 2.873 -5.263 1.00 2.12 O ATOM 0 H GLY A 45 8.859 4.389 -2.447 1.00 0.68 H new ATOM 0 HA2 GLY A 45 10.918 2.435 -2.406 1.00 0.87 H new ATOM 0 HA3 GLY A 45 9.457 1.710 -3.048 1.00 0.87 H new ATOM 691 N LYS A 46 11.230 4.164 -4.297 1.00 1.63 N ATOM 692 CA LYS A 46 11.655 4.765 -5.545 1.00 2.41 C ATOM 693 C LYS A 46 12.851 4.023 -6.129 1.00 2.38 C ATOM 694 O LYS A 46 13.806 3.708 -5.417 1.00 2.93 O ATOM 695 CB LYS A 46 11.991 6.243 -5.345 1.00 3.41 C ATOM 696 CG LYS A 46 12.791 6.526 -4.083 1.00 4.32 C ATOM 697 CD LYS A 46 13.119 8.004 -3.954 1.00 5.11 C ATOM 698 CE LYS A 46 14.230 8.416 -4.905 1.00 5.83 C ATOM 699 NZ LYS A 46 15.514 7.739 -4.586 1.00 6.44 N ATOM 0 H LYS A 46 11.726 4.505 -3.473 1.00 1.63 H new ATOM 0 HA LYS A 46 10.829 4.690 -6.252 1.00 2.41 H new ATOM 0 HB2 LYS A 46 12.554 6.598 -6.208 1.00 3.41 H new ATOM 0 HB3 LYS A 46 11.064 6.815 -5.312 1.00 3.41 H new ATOM 0 HG2 LYS A 46 12.225 6.200 -3.211 1.00 4.32 H new ATOM 0 HG3 LYS A 46 13.714 5.947 -4.098 1.00 4.32 H new ATOM 0 HD2 LYS A 46 12.226 8.595 -4.159 1.00 5.11 H new ATOM 0 HD3 LYS A 46 13.417 8.223 -2.929 1.00 5.11 H new ATOM 0 HE2 LYS A 46 13.939 8.178 -5.928 1.00 5.83 H new ATOM 0 HE3 LYS A 46 14.367 9.496 -4.856 1.00 5.83 H new ATOM 0 HZ1 LYS A 46 16.288 8.202 -5.104 1.00 6.44 H new ATOM 0 HZ2 LYS A 46 15.695 7.802 -3.564 1.00 6.44 H new ATOM 0 HZ3 LYS A 46 15.458 6.739 -4.867 1.00 6.44 H new ATOM 713 N TRP A 47 12.756 3.732 -7.424 1.00 2.40 N ATOM 714 CA TRP A 47 13.830 3.111 -8.204 1.00 2.90 C ATOM 715 C TRP A 47 14.166 1.706 -7.699 1.00 3.16 C ATOM 716 O TRP A 47 13.637 0.716 -8.204 1.00 3.82 O ATOM 717 CB TRP A 47 15.088 3.993 -8.218 1.00 3.59 C ATOM 718 CG TRP A 47 14.819 5.446 -8.512 1.00 3.94 C ATOM 719 CD1 TRP A 47 15.488 6.515 -7.991 1.00 4.43 C ATOM 720 CD2 TRP A 47 13.802 5.994 -9.371 1.00 4.46 C ATOM 721 NE1 TRP A 47 14.960 7.688 -8.474 1.00 5.12 N ATOM 722 CE2 TRP A 47 13.925 7.395 -9.321 1.00 5.13 C ATOM 723 CE3 TRP A 47 12.804 5.438 -10.180 1.00 4.85 C ATOM 724 CZ2 TRP A 47 13.091 8.244 -10.042 1.00 6.00 C ATOM 725 CZ3 TRP A 47 11.978 6.281 -10.895 1.00 5.76 C ATOM 726 CH2 TRP A 47 12.125 7.670 -10.822 1.00 6.25 C ATOM 0 H TRP A 47 11.918 3.923 -7.973 1.00 2.40 H new ATOM 0 HA TRP A 47 13.464 3.015 -9.226 1.00 2.90 H new ATOM 0 HB2 TRP A 47 15.584 3.915 -7.250 1.00 3.59 H new ATOM 0 HB3 TRP A 47 15.782 3.605 -8.964 1.00 3.59 H new ATOM 0 HD1 TRP A 47 16.314 6.449 -7.298 1.00 4.43 H new ATOM 0 HE1 TRP A 47 15.286 8.625 -8.239 1.00 5.12 H new ATOM 0 HE3 TRP A 47 12.682 4.367 -10.244 1.00 4.85 H new ATOM 0 HZ2 TRP A 47 13.202 9.317 -9.988 1.00 6.00 H new ATOM 0 HZ3 TRP A 47 11.205 5.861 -11.522 1.00 5.76 H new ATOM 0 HH2 TRP A 47 11.462 8.303 -11.393 1.00 6.25 H new ATOM 737 N PHE A 48 15.034 1.623 -6.699 1.00 3.23 N ATOM 738 CA PHE A 48 15.443 0.339 -6.142 1.00 3.94 C ATOM 739 C PHE A 48 15.936 0.533 -4.711 1.00 3.98 C ATOM 740 O PHE A 48 16.881 -0.120 -4.270 1.00 4.37 O ATOM 741 CB PHE A 48 16.540 -0.286 -7.016 1.00 4.71 C ATOM 742 CG PHE A 48 16.789 -1.748 -6.746 1.00 5.10 C ATOM 743 CD1 PHE A 48 15.794 -2.687 -6.966 1.00 5.51 C ATOM 744 CD2 PHE A 48 18.024 -2.182 -6.290 1.00 5.41 C ATOM 745 CE1 PHE A 48 16.023 -4.030 -6.730 1.00 6.19 C ATOM 746 CE2 PHE A 48 18.259 -3.521 -6.050 1.00 6.04 C ATOM 747 CZ PHE A 48 17.259 -4.448 -6.272 1.00 6.43 C ATOM 0 H PHE A 48 15.470 2.432 -6.256 1.00 3.23 H new ATOM 0 HA PHE A 48 14.589 -0.338 -6.127 1.00 3.94 H new ATOM 0 HB2 PHE A 48 16.267 -0.163 -8.064 1.00 4.71 H new ATOM 0 HB3 PHE A 48 17.469 0.263 -6.862 1.00 4.71 H new ATOM 0 HD1 PHE A 48 14.828 -2.366 -7.326 1.00 5.51 H new ATOM 0 HD2 PHE A 48 18.812 -1.464 -6.120 1.00 5.41 H new ATOM 0 HE1 PHE A 48 15.238 -4.751 -6.903 1.00 6.19 H new ATOM 0 HE2 PHE A 48 19.224 -3.844 -5.689 1.00 6.04 H new ATOM 0 HZ PHE A 48 17.442 -5.496 -6.088 1.00 6.43 H new ATOM 757 N PHE A 49 15.279 1.447 -3.996 1.00 4.01 N ATOM 758 CA PHE A 49 15.640 1.766 -2.616 1.00 4.29 C ATOM 759 C PHE A 49 17.075 2.287 -2.560 1.00 4.03 C ATOM 760 O PHE A 49 17.921 1.751 -1.840 1.00 4.43 O ATOM 761 CB PHE A 49 15.485 0.538 -1.707 1.00 5.23 C ATOM 762 CG PHE A 49 14.140 -0.127 -1.800 1.00 5.92 C ATOM 763 CD1 PHE A 49 12.992 0.534 -1.397 1.00 6.52 C ATOM 764 CD2 PHE A 49 14.027 -1.419 -2.288 1.00 6.27 C ATOM 765 CE1 PHE A 49 11.757 -0.083 -1.474 1.00 7.39 C ATOM 766 CE2 PHE A 49 12.796 -2.040 -2.369 1.00 7.24 C ATOM 767 CZ PHE A 49 11.659 -1.369 -1.964 1.00 7.76 C ATOM 0 H PHE A 49 14.488 1.983 -4.354 1.00 4.01 H new ATOM 0 HA PHE A 49 14.963 2.540 -2.255 1.00 4.29 H new ATOM 0 HB2 PHE A 49 16.256 -0.189 -1.961 1.00 5.23 H new ATOM 0 HB3 PHE A 49 15.659 0.839 -0.674 1.00 5.23 H new ATOM 0 HD1 PHE A 49 13.062 1.543 -1.018 1.00 6.52 H new ATOM 0 HD2 PHE A 49 14.913 -1.947 -2.609 1.00 6.27 H new ATOM 0 HE1 PHE A 49 10.870 0.441 -1.151 1.00 7.39 H new ATOM 0 HE2 PHE A 49 12.723 -3.049 -2.748 1.00 7.24 H new ATOM 0 HZ PHE A 49 10.694 -1.850 -2.031 1.00 7.76 H new ATOM 777 N ASP A 50 17.337 3.332 -3.337 1.00 3.84 N ATOM 778 CA ASP A 50 18.688 3.847 -3.507 1.00 4.03 C ATOM 779 C ASP A 50 19.070 4.838 -2.398 1.00 3.49 C ATOM 780 O ASP A 50 19.566 4.436 -1.345 1.00 3.96 O ATOM 781 CB ASP A 50 18.849 4.473 -4.907 1.00 4.77 C ATOM 782 CG ASP A 50 17.834 5.567 -5.206 1.00 5.24 C ATOM 783 OD1 ASP A 50 16.620 5.271 -5.182 1.00 5.68 O ATOM 784 OD2 ASP A 50 18.239 6.713 -5.500 1.00 5.52 O ATOM 0 H ASP A 50 16.626 3.841 -3.862 1.00 3.84 H new ATOM 0 HA ASP A 50 19.379 3.008 -3.424 1.00 4.03 H new ATOM 0 HB2 ASP A 50 19.853 4.886 -4.998 1.00 4.77 H new ATOM 0 HB3 ASP A 50 18.758 3.689 -5.659 1.00 4.77 H new ATOM 789 N SER A 51 18.850 6.125 -2.625 1.00 2.95 N ATOM 790 CA SER A 51 19.183 7.148 -1.649 1.00 2.87 C ATOM 791 C SER A 51 18.242 8.338 -1.792 1.00 2.57 C ATOM 792 O SER A 51 17.366 8.335 -2.662 1.00 3.12 O ATOM 793 CB SER A 51 20.634 7.597 -1.836 1.00 3.44 C ATOM 794 OG SER A 51 21.529 6.506 -1.679 1.00 4.15 O ATOM 0 H SER A 51 18.438 6.486 -3.486 1.00 2.95 H new ATOM 0 HA SER A 51 19.069 6.731 -0.648 1.00 2.87 H new ATOM 0 HB2 SER A 51 20.758 8.034 -2.827 1.00 3.44 H new ATOM 0 HB3 SER A 51 20.874 8.376 -1.112 1.00 3.44 H new ATOM 0 HG SER A 51 22.450 6.817 -1.805 1.00 4.15 H new ATOM 800 N SER A 52 18.421 9.343 -0.936 1.00 2.29 N ATOM 801 CA SER A 52 17.576 10.532 -0.938 1.00 2.37 C ATOM 802 C SER A 52 16.123 10.143 -0.701 1.00 1.79 C ATOM 803 O SER A 52 15.209 10.653 -1.357 1.00 2.13 O ATOM 804 CB SER A 52 17.723 11.299 -2.257 1.00 3.06 C ATOM 805 OG SER A 52 19.082 11.627 -2.511 1.00 3.81 O ATOM 0 H SER A 52 19.153 9.355 -0.225 1.00 2.29 H new ATOM 0 HA SER A 52 17.897 11.188 -0.129 1.00 2.37 H new ATOM 0 HB2 SER A 52 17.332 10.696 -3.077 1.00 3.06 H new ATOM 0 HB3 SER A 52 17.127 12.211 -2.219 1.00 3.06 H new ATOM 0 HG SER A 52 19.148 12.114 -3.359 1.00 3.81 H new ATOM 811 N GLY A 53 15.927 9.227 0.238 1.00 1.40 N ATOM 812 CA GLY A 53 14.605 8.742 0.539 1.00 1.25 C ATOM 813 C GLY A 53 14.334 7.404 -0.110 1.00 1.07 C ATOM 814 O GLY A 53 14.471 7.256 -1.322 1.00 1.28 O ATOM 0 H GLY A 53 16.671 8.811 0.798 1.00 1.40 H new ATOM 0 HA2 GLY A 53 14.489 8.652 1.619 1.00 1.25 H new ATOM 0 HA3 GLY A 53 13.866 9.467 0.198 1.00 1.25 H new ATOM 818 N GLY A 54 13.978 6.421 0.699 1.00 0.86 N ATOM 819 CA GLY A 54 13.567 5.138 0.169 1.00 0.86 C ATOM 820 C GLY A 54 14.447 3.993 0.646 1.00 0.91 C ATOM 821 O GLY A 54 15.105 3.334 -0.148 1.00 1.55 O ATOM 0 H GLY A 54 13.966 6.488 1.717 1.00 0.86 H new ATOM 0 HA2 GLY A 54 12.535 4.943 0.461 1.00 0.86 H new ATOM 0 HA3 GLY A 54 13.588 5.177 -0.920 1.00 0.86 H new ATOM 825 N ASN A 55 14.451 3.780 1.961 1.00 0.89 N ATOM 826 CA ASN A 55 15.174 2.671 2.593 1.00 0.87 C ATOM 827 C ASN A 55 14.561 1.316 2.193 1.00 1.01 C ATOM 828 O ASN A 55 13.521 1.273 1.540 1.00 1.21 O ATOM 829 CB ASN A 55 15.114 2.853 4.116 1.00 0.83 C ATOM 830 CG ASN A 55 16.210 2.098 4.842 1.00 1.45 C ATOM 831 OD1 ASN A 55 16.015 0.960 5.267 1.00 2.39 O ATOM 832 ND2 ASN A 55 17.367 2.725 4.991 1.00 1.63 N ATOM 0 H ASN A 55 13.951 4.373 2.623 1.00 0.89 H new ATOM 0 HA ASN A 55 16.211 2.677 2.257 1.00 0.87 H new ATOM 0 HB2 ASN A 55 15.191 3.914 4.354 1.00 0.83 H new ATOM 0 HB3 ASN A 55 14.144 2.515 4.480 1.00 0.83 H new ATOM 0 HD21 ASN A 55 18.138 2.264 5.474 1.00 1.63 H new ATOM 0 HD22 ASN A 55 17.487 3.669 4.623 1.00 1.63 H new ATOM 839 N GLY A 56 15.186 0.212 2.605 1.00 1.23 N ATOM 840 CA GLY A 56 14.742 -1.112 2.174 1.00 1.44 C ATOM 841 C GLY A 56 13.656 -1.713 3.058 1.00 1.14 C ATOM 842 O GLY A 56 13.594 -2.931 3.228 1.00 1.07 O ATOM 0 H GLY A 56 15.992 0.208 3.230 1.00 1.23 H new ATOM 0 HA2 GLY A 56 14.370 -1.046 1.152 1.00 1.44 H new ATOM 0 HA3 GLY A 56 15.599 -1.785 2.158 1.00 1.44 H new ATOM 846 N HIS A 57 12.790 -0.855 3.584 1.00 1.06 N ATOM 847 CA HIS A 57 11.672 -1.261 4.454 1.00 0.77 C ATOM 848 C HIS A 57 10.808 -2.342 3.821 1.00 0.66 C ATOM 849 O HIS A 57 10.380 -3.269 4.497 1.00 0.55 O ATOM 850 CB HIS A 57 10.777 -0.055 4.782 1.00 0.68 C ATOM 851 CG HIS A 57 10.886 1.042 3.793 1.00 0.72 C ATOM 852 ND1 HIS A 57 10.382 0.988 2.519 1.00 1.73 N ATOM 853 CD2 HIS A 57 11.506 2.230 3.906 1.00 0.82 C ATOM 854 CE1 HIS A 57 10.719 2.124 1.912 1.00 1.92 C ATOM 855 NE2 HIS A 57 11.397 2.910 2.711 1.00 1.19 N ATOM 0 H HIS A 57 12.837 0.151 3.423 1.00 1.06 H new ATOM 0 HA HIS A 57 12.121 -1.662 5.363 1.00 0.77 H new ATOM 0 HB2 HIS A 57 9.740 -0.385 4.835 1.00 0.68 H new ATOM 0 HB3 HIS A 57 11.041 0.327 5.768 1.00 0.68 H new ATOM 0 HD1 HIS A 57 9.848 0.220 2.112 1.00 1.73 H new ATOM 0 HD2 HIS A 57 12.008 2.593 4.790 1.00 0.82 H new ATOM 0 HE1 HIS A 57 10.466 2.367 0.891 1.00 1.92 H new ATOM 863 N ALA A 58 10.543 -2.216 2.525 1.00 0.78 N ATOM 864 CA ALA A 58 9.631 -3.132 1.848 1.00 0.75 C ATOM 865 C ALA A 58 10.221 -4.532 1.793 1.00 0.66 C ATOM 866 O ALA A 58 9.499 -5.526 1.852 1.00 0.54 O ATOM 867 CB ALA A 58 9.301 -2.627 0.452 1.00 0.97 C ATOM 0 H ALA A 58 10.943 -1.494 1.926 1.00 0.78 H new ATOM 0 HA ALA A 58 8.704 -3.177 2.419 1.00 0.75 H new ATOM 0 HB1 ALA A 58 8.620 -3.324 -0.036 1.00 0.97 H new ATOM 0 HB2 ALA A 58 8.829 -1.647 0.522 1.00 0.97 H new ATOM 0 HB3 ALA A 58 10.218 -2.547 -0.132 1.00 0.97 H new ATOM 873 N LEU A 59 11.538 -4.596 1.704 1.00 0.78 N ATOM 874 CA LEU A 59 12.248 -5.863 1.717 1.00 0.79 C ATOM 875 C LEU A 59 12.184 -6.474 3.105 1.00 0.66 C ATOM 876 O LEU A 59 11.855 -7.648 3.273 1.00 0.63 O ATOM 877 CB LEU A 59 13.705 -5.642 1.315 1.00 0.98 C ATOM 878 CG LEU A 59 14.585 -6.890 1.320 1.00 1.75 C ATOM 879 CD1 LEU A 59 14.095 -7.905 0.296 1.00 2.28 C ATOM 880 CD2 LEU A 59 16.035 -6.516 1.057 1.00 2.31 C ATOM 0 H LEU A 59 12.142 -3.778 1.621 1.00 0.78 H new ATOM 0 HA LEU A 59 11.780 -6.543 1.006 1.00 0.79 H new ATOM 0 HB2 LEU A 59 13.726 -5.208 0.315 1.00 0.98 H new ATOM 0 HB3 LEU A 59 14.143 -4.907 1.991 1.00 0.98 H new ATOM 0 HG LEU A 59 14.520 -7.351 2.306 1.00 1.75 H new ATOM 0 HD11 LEU A 59 14.738 -8.785 0.319 1.00 2.28 H new ATOM 0 HD12 LEU A 59 13.072 -8.197 0.534 1.00 2.28 H new ATOM 0 HD13 LEU A 59 14.123 -7.461 -0.699 1.00 2.28 H new ATOM 0 HD21 LEU A 59 16.650 -7.416 1.064 1.00 2.31 H new ATOM 0 HD22 LEU A 59 16.115 -6.029 0.085 1.00 2.31 H new ATOM 0 HD23 LEU A 59 16.382 -5.834 1.834 1.00 2.31 H new ATOM 892 N GLU A 60 12.496 -5.656 4.094 1.00 0.66 N ATOM 893 CA GLU A 60 12.476 -6.084 5.483 1.00 0.65 C ATOM 894 C GLU A 60 11.066 -6.485 5.912 1.00 0.51 C ATOM 895 O GLU A 60 10.881 -7.471 6.615 1.00 0.57 O ATOM 896 CB GLU A 60 12.999 -4.971 6.390 1.00 0.76 C ATOM 897 CG GLU A 60 14.334 -4.389 5.950 1.00 0.99 C ATOM 898 CD GLU A 60 15.461 -5.408 5.905 1.00 1.98 C ATOM 899 OE1 GLU A 60 15.218 -6.573 6.284 1.00 2.64 O ATOM 900 OE2 GLU A 60 16.584 -5.061 5.482 1.00 2.58 O ATOM 0 H GLU A 60 12.769 -4.682 3.960 1.00 0.66 H new ATOM 0 HA GLU A 60 13.125 -6.955 5.576 1.00 0.65 H new ATOM 0 HB2 GLU A 60 12.260 -4.170 6.428 1.00 0.76 H new ATOM 0 HB3 GLU A 60 13.100 -5.360 7.403 1.00 0.76 H new ATOM 0 HG2 GLU A 60 14.218 -3.945 4.961 1.00 0.99 H new ATOM 0 HG3 GLU A 60 14.611 -3.584 6.631 1.00 0.99 H new ATOM 907 N HIS A 61 10.069 -5.726 5.474 1.00 0.43 N ATOM 908 CA HIS A 61 8.684 -6.025 5.821 1.00 0.41 C ATOM 909 C HIS A 61 8.234 -7.321 5.154 1.00 0.38 C ATOM 910 O HIS A 61 7.412 -8.063 5.700 1.00 0.40 O ATOM 911 CB HIS A 61 7.754 -4.885 5.408 1.00 0.57 C ATOM 912 CG HIS A 61 6.380 -5.019 5.989 1.00 0.94 C ATOM 913 ND1 HIS A 61 5.279 -5.366 5.241 1.00 1.54 N ATOM 914 CD2 HIS A 61 5.938 -4.880 7.263 1.00 1.45 C ATOM 915 CE1 HIS A 61 4.222 -5.437 6.025 1.00 1.72 C ATOM 916 NE2 HIS A 61 4.592 -5.147 7.256 1.00 1.60 N ATOM 0 H HIS A 61 10.191 -4.904 4.882 1.00 0.43 H new ATOM 0 HA HIS A 61 8.632 -6.141 6.904 1.00 0.41 H new ATOM 0 HB2 HIS A 61 8.187 -3.936 5.725 1.00 0.57 H new ATOM 0 HB3 HIS A 61 7.683 -4.856 4.321 1.00 0.57 H new ATOM 0 HD2 HIS A 61 6.534 -4.610 8.122 1.00 1.45 H new ATOM 0 HE1 HIS A 61 3.220 -5.690 5.711 1.00 1.72 H new ATOM 0 HE2 HIS A 61 3.978 -5.125 8.070 1.00 1.60 H new ATOM 925 N TYR A 62 8.769 -7.577 3.966 1.00 0.44 N ATOM 926 CA TYR A 62 8.523 -8.829 3.262 1.00 0.54 C ATOM 927 C TYR A 62 9.081 -9.984 4.086 1.00 0.59 C ATOM 928 O TYR A 62 8.520 -11.078 4.114 1.00 0.67 O ATOM 929 CB TYR A 62 9.180 -8.778 1.879 1.00 0.69 C ATOM 930 CG TYR A 62 8.867 -9.953 0.978 1.00 0.97 C ATOM 931 CD1 TYR A 62 7.598 -10.124 0.443 1.00 1.08 C ATOM 932 CD2 TYR A 62 9.853 -10.872 0.637 1.00 1.39 C ATOM 933 CE1 TYR A 62 7.317 -11.178 -0.403 1.00 1.55 C ATOM 934 CE2 TYR A 62 9.578 -11.933 -0.205 1.00 1.89 C ATOM 935 CZ TYR A 62 8.310 -12.079 -0.726 1.00 1.97 C ATOM 936 OH TYR A 62 8.034 -13.125 -1.576 1.00 2.50 O ATOM 0 H TYR A 62 9.380 -6.929 3.468 1.00 0.44 H new ATOM 0 HA TYR A 62 7.452 -8.979 3.128 1.00 0.54 H new ATOM 0 HB2 TYR A 62 8.867 -7.862 1.378 1.00 0.69 H new ATOM 0 HB3 TYR A 62 10.261 -8.717 2.009 1.00 0.69 H new ATOM 0 HD1 TYR A 62 6.817 -9.421 0.693 1.00 1.08 H new ATOM 0 HD2 TYR A 62 10.850 -10.755 1.036 1.00 1.39 H new ATOM 0 HE1 TYR A 62 6.324 -11.297 -0.810 1.00 1.55 H new ATOM 0 HE2 TYR A 62 10.352 -12.644 -0.453 1.00 1.89 H new ATOM 0 HH TYR A 62 8.841 -13.666 -1.702 1.00 2.50 H new ATOM 946 N ARG A 63 10.181 -9.703 4.772 1.00 0.60 N ATOM 947 CA ARG A 63 10.796 -10.649 5.691 1.00 0.73 C ATOM 948 C ARG A 63 9.948 -10.826 6.949 1.00 0.75 C ATOM 949 O ARG A 63 9.781 -11.941 7.443 1.00 0.87 O ATOM 950 CB ARG A 63 12.182 -10.156 6.085 1.00 0.80 C ATOM 951 CG ARG A 63 13.192 -10.225 4.965 1.00 1.19 C ATOM 952 CD ARG A 63 14.495 -9.570 5.378 1.00 1.33 C ATOM 953 NE ARG A 63 15.649 -10.133 4.686 1.00 1.71 N ATOM 954 CZ ARG A 63 16.855 -9.569 4.676 1.00 2.01 C ATOM 955 NH1 ARG A 63 17.037 -8.369 5.211 1.00 1.88 N ATOM 956 NH2 ARG A 63 17.876 -10.198 4.109 1.00 2.76 N ATOM 0 H ARG A 63 10.672 -8.811 4.706 1.00 0.60 H new ATOM 0 HA ARG A 63 10.872 -11.612 5.185 1.00 0.73 H new ATOM 0 HB2 ARG A 63 12.106 -9.125 6.431 1.00 0.80 H new ATOM 0 HB3 ARG A 63 12.543 -10.749 6.925 1.00 0.80 H new ATOM 0 HG2 ARG A 63 13.372 -11.265 4.694 1.00 1.19 H new ATOM 0 HG3 ARG A 63 12.795 -9.729 4.079 1.00 1.19 H new ATOM 0 HD2 ARG A 63 14.440 -8.500 5.175 1.00 1.33 H new ATOM 0 HD3 ARG A 63 14.630 -9.684 6.454 1.00 1.33 H new ATOM 0 HE ARG A 63 15.525 -11.010 4.180 1.00 1.71 H new ATOM 0 HH11 ARG A 63 16.251 -7.874 5.633 1.00 1.88 H new ATOM 0 HH12 ARG A 63 17.963 -7.941 5.201 1.00 1.88 H new ATOM 0 HH21 ARG A 63 17.737 -11.113 3.681 1.00 2.76 H new ATOM 0 HH22 ARG A 63 18.800 -9.766 4.101 1.00 2.76 H new ATOM 970 N ASP A 64 9.425 -9.715 7.466 1.00 0.68 N ATOM 971 CA ASP A 64 8.656 -9.724 8.711 1.00 0.75 C ATOM 972 C ASP A 64 7.319 -10.434 8.552 1.00 0.75 C ATOM 973 O ASP A 64 7.056 -11.446 9.200 1.00 0.89 O ATOM 974 CB ASP A 64 8.380 -8.296 9.195 1.00 0.75 C ATOM 975 CG ASP A 64 9.598 -7.588 9.749 1.00 1.18 C ATOM 976 OD1 ASP A 64 10.177 -8.082 10.736 1.00 1.43 O ATOM 977 OD2 ASP A 64 9.953 -6.510 9.226 1.00 1.85 O ATOM 0 H ASP A 64 9.520 -8.793 7.040 1.00 0.68 H new ATOM 0 HA ASP A 64 9.263 -10.261 9.440 1.00 0.75 H new ATOM 0 HB2 ASP A 64 7.979 -7.713 8.366 1.00 0.75 H new ATOM 0 HB3 ASP A 64 7.609 -8.327 9.965 1.00 0.75 H new ATOM 982 N MET A 65 6.485 -9.914 7.664 1.00 0.63 N ATOM 983 CA MET A 65 5.099 -10.361 7.579 1.00 0.67 C ATOM 984 C MET A 65 4.903 -11.383 6.475 1.00 0.65 C ATOM 985 O MET A 65 4.072 -12.279 6.590 1.00 0.80 O ATOM 986 CB MET A 65 4.163 -9.173 7.360 1.00 0.68 C ATOM 987 CG MET A 65 4.083 -8.248 8.559 1.00 0.75 C ATOM 988 SD MET A 65 3.337 -9.041 9.995 1.00 1.35 S ATOM 989 CE MET A 65 3.486 -7.734 11.210 1.00 1.84 C ATOM 0 H MET A 65 6.739 -9.187 6.995 1.00 0.63 H new ATOM 0 HA MET A 65 4.856 -10.840 8.528 1.00 0.67 H new ATOM 0 HB2 MET A 65 4.503 -8.606 6.493 1.00 0.68 H new ATOM 0 HB3 MET A 65 3.165 -9.543 7.127 1.00 0.68 H new ATOM 0 HG2 MET A 65 5.085 -7.906 8.817 1.00 0.75 H new ATOM 0 HG3 MET A 65 3.503 -7.364 8.294 1.00 0.75 H new ATOM 0 HE1 MET A 65 3.067 -8.070 12.159 1.00 1.84 H new ATOM 0 HE2 MET A 65 4.538 -7.482 11.346 1.00 1.84 H new ATOM 0 HE3 MET A 65 2.944 -6.853 10.866 1.00 1.84 H new ATOM 999 N GLY A 66 5.666 -11.238 5.403 1.00 0.56 N ATOM 1000 CA GLY A 66 5.538 -12.144 4.281 1.00 0.64 C ATOM 1001 C GLY A 66 4.379 -11.785 3.373 1.00 0.70 C ATOM 1002 O GLY A 66 4.208 -12.389 2.315 1.00 1.36 O ATOM 0 H GLY A 66 6.371 -10.510 5.290 1.00 0.56 H new ATOM 0 HA2 GLY A 66 6.463 -12.136 3.704 1.00 0.64 H new ATOM 0 HA3 GLY A 66 5.403 -13.160 4.652 1.00 0.64 H new ATOM 1006 N TYR A 67 3.587 -10.801 3.792 1.00 0.55 N ATOM 1007 CA TYR A 67 2.437 -10.343 3.023 1.00 0.49 C ATOM 1008 C TYR A 67 2.861 -9.327 1.972 1.00 0.53 C ATOM 1009 O TYR A 67 3.140 -8.169 2.282 1.00 0.82 O ATOM 1010 CB TYR A 67 1.371 -9.768 3.953 1.00 0.64 C ATOM 1011 CG TYR A 67 0.689 -10.832 4.786 1.00 1.61 C ATOM 1012 CD1 TYR A 67 -0.122 -11.797 4.202 1.00 2.31 C ATOM 1013 CD2 TYR A 67 0.855 -10.861 6.164 1.00 2.04 C ATOM 1014 CE1 TYR A 67 -0.747 -12.762 4.971 1.00 3.28 C ATOM 1015 CE2 TYR A 67 0.234 -11.821 6.938 1.00 2.98 C ATOM 1016 CZ TYR A 67 -0.562 -12.804 6.295 1.00 3.57 C ATOM 1017 OH TYR A 67 -1.181 -13.725 7.109 1.00 4.55 O ATOM 0 H TYR A 67 3.725 -10.302 4.671 1.00 0.55 H new ATOM 0 HA TYR A 67 2.005 -11.197 2.501 1.00 0.49 H new ATOM 0 HB2 TYR A 67 1.830 -9.033 4.614 1.00 0.64 H new ATOM 0 HB3 TYR A 67 0.623 -9.241 3.360 1.00 0.64 H new ATOM 0 HD1 TYR A 67 -0.267 -11.794 3.132 1.00 2.31 H new ATOM 0 HD2 TYR A 67 1.481 -10.120 6.639 1.00 2.04 H new ATOM 0 HE1 TYR A 67 -1.391 -13.489 4.498 1.00 3.28 H new ATOM 0 HE2 TYR A 67 0.352 -11.824 8.012 1.00 2.98 H new ATOM 0 HH TYR A 67 -0.906 -13.578 8.038 1.00 4.55 H new ATOM 1027 N PRO A 68 2.907 -9.765 0.708 1.00 0.46 N ATOM 1028 CA PRO A 68 3.464 -9.013 -0.405 1.00 0.59 C ATOM 1029 C PRO A 68 2.426 -8.226 -1.198 1.00 0.49 C ATOM 1030 O PRO A 68 2.301 -8.403 -2.414 1.00 0.64 O ATOM 1031 CB PRO A 68 4.037 -10.125 -1.290 1.00 0.80 C ATOM 1032 CG PRO A 68 3.458 -11.419 -0.784 1.00 0.88 C ATOM 1033 CD PRO A 68 2.424 -11.060 0.242 1.00 0.59 C ATOM 0 HA PRO A 68 4.176 -8.263 -0.062 1.00 0.59 H new ATOM 0 HB2 PRO A 68 3.771 -9.964 -2.335 1.00 0.80 H new ATOM 0 HB3 PRO A 68 5.126 -10.141 -1.237 1.00 0.80 H new ATOM 0 HG2 PRO A 68 3.012 -11.988 -1.600 1.00 0.88 H new ATOM 0 HG3 PRO A 68 4.235 -12.045 -0.346 1.00 0.88 H new ATOM 0 HD2 PRO A 68 1.425 -10.993 -0.189 1.00 0.59 H new ATOM 0 HD3 PRO A 68 2.375 -11.793 1.048 1.00 0.59 H new ATOM 1041 N LEU A 69 1.689 -7.360 -0.526 1.00 0.34 N ATOM 1042 CA LEU A 69 0.655 -6.576 -1.187 1.00 0.28 C ATOM 1043 C LEU A 69 0.595 -5.175 -0.616 1.00 0.24 C ATOM 1044 O LEU A 69 0.451 -4.997 0.596 1.00 0.27 O ATOM 1045 CB LEU A 69 -0.695 -7.267 -1.037 1.00 0.34 C ATOM 1046 CG LEU A 69 -0.814 -8.592 -1.782 1.00 0.43 C ATOM 1047 CD1 LEU A 69 -1.522 -9.613 -0.917 1.00 0.61 C ATOM 1048 CD2 LEU A 69 -1.542 -8.396 -3.101 1.00 0.43 C ATOM 0 H LEU A 69 1.785 -7.180 0.473 1.00 0.34 H new ATOM 0 HA LEU A 69 0.901 -6.500 -2.246 1.00 0.28 H new ATOM 0 HB2 LEU A 69 -0.883 -7.442 0.022 1.00 0.34 H new ATOM 0 HB3 LEU A 69 -1.475 -6.594 -1.392 1.00 0.34 H new ATOM 0 HG LEU A 69 0.186 -8.965 -2.003 1.00 0.43 H new ATOM 0 HD11 LEU A 69 -1.602 -10.556 -1.458 1.00 0.61 H new ATOM 0 HD12 LEU A 69 -0.955 -9.768 0.001 1.00 0.61 H new ATOM 0 HD13 LEU A 69 -2.520 -9.251 -0.670 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -1.618 -9.351 -3.620 1.00 0.43 H new ATOM 0 HD22 LEU A 69 -2.542 -8.006 -2.910 1.00 0.43 H new ATOM 0 HD23 LEU A 69 -0.989 -7.690 -3.720 1.00 0.43 H new ATOM 1060 N ALA A 70 0.700 -4.184 -1.489 1.00 0.22 N ATOM 1061 CA ALA A 70 0.713 -2.801 -1.052 1.00 0.24 C ATOM 1062 C ALA A 70 0.167 -1.869 -2.131 1.00 0.27 C ATOM 1063 O ALA A 70 0.430 -2.047 -3.320 1.00 0.32 O ATOM 1064 CB ALA A 70 2.128 -2.404 -0.664 1.00 0.27 C ATOM 0 H ALA A 70 0.777 -4.313 -2.498 1.00 0.22 H new ATOM 0 HA ALA A 70 0.062 -2.707 -0.183 1.00 0.24 H new ATOM 0 HB1 ALA A 70 2.137 -1.365 -0.336 1.00 0.27 H new ATOM 0 HB2 ALA A 70 2.476 -3.044 0.147 1.00 0.27 H new ATOM 0 HB3 ALA A 70 2.787 -2.518 -1.525 1.00 0.27 H new ATOM 1070 N VAL A 71 -0.608 -0.884 -1.699 1.00 0.26 N ATOM 1071 CA VAL A 71 -1.195 0.097 -2.602 1.00 0.29 C ATOM 1072 C VAL A 71 -0.230 1.249 -2.833 1.00 0.30 C ATOM 1073 O VAL A 71 0.249 1.854 -1.874 1.00 0.29 O ATOM 1074 CB VAL A 71 -2.516 0.670 -2.034 1.00 0.31 C ATOM 1075 CG1 VAL A 71 -3.099 1.715 -2.972 1.00 0.36 C ATOM 1076 CG2 VAL A 71 -3.526 -0.439 -1.787 1.00 0.32 C ATOM 0 H VAL A 71 -0.847 -0.742 -0.718 1.00 0.26 H new ATOM 0 HA VAL A 71 -1.402 -0.415 -3.542 1.00 0.29 H new ATOM 0 HB VAL A 71 -2.290 1.148 -1.081 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -4.027 2.104 -2.552 1.00 0.36 H new ATOM 0 HG12 VAL A 71 -2.387 2.531 -3.095 1.00 0.36 H new ATOM 0 HG13 VAL A 71 -3.302 1.261 -3.942 1.00 0.36 H new ATOM 0 HG21 VAL A 71 -4.446 -0.011 -1.388 1.00 0.32 H new ATOM 0 HG22 VAL A 71 -3.741 -0.951 -2.725 1.00 0.32 H new ATOM 0 HG23 VAL A 71 -3.116 -1.151 -1.071 1.00 0.32 H new ATOM 1086 N LYS A 72 0.056 1.550 -4.094 1.00 0.33 N ATOM 1087 CA LYS A 72 0.893 2.691 -4.419 1.00 0.36 C ATOM 1088 C LYS A 72 0.108 3.969 -4.188 1.00 0.37 C ATOM 1089 O LYS A 72 -0.744 4.355 -4.990 1.00 0.42 O ATOM 1090 CB LYS A 72 1.395 2.637 -5.860 1.00 0.43 C ATOM 1091 CG LYS A 72 2.354 3.765 -6.188 1.00 0.50 C ATOM 1092 CD LYS A 72 2.728 3.770 -7.656 1.00 0.89 C ATOM 1093 CE LYS A 72 3.597 4.964 -8.011 1.00 0.91 C ATOM 1094 NZ LYS A 72 3.956 4.971 -9.452 1.00 1.54 N ATOM 0 H LYS A 72 -0.278 1.022 -4.901 1.00 0.33 H new ATOM 0 HA LYS A 72 1.768 2.667 -3.770 1.00 0.36 H new ATOM 0 HB2 LYS A 72 1.891 1.682 -6.032 1.00 0.43 H new ATOM 0 HB3 LYS A 72 0.543 2.680 -6.539 1.00 0.43 H new ATOM 0 HG2 LYS A 72 1.898 4.719 -5.925 1.00 0.50 H new ATOM 0 HG3 LYS A 72 3.255 3.665 -5.583 1.00 0.50 H new ATOM 0 HD2 LYS A 72 3.258 2.849 -7.899 1.00 0.89 H new ATOM 0 HD3 LYS A 72 1.822 3.786 -8.262 1.00 0.89 H new ATOM 0 HE2 LYS A 72 3.070 5.885 -7.763 1.00 0.91 H new ATOM 0 HE3 LYS A 72 4.506 4.945 -7.409 1.00 0.91 H new ATOM 0 HZ1 LYS A 72 4.549 5.800 -9.658 1.00 1.54 H new ATOM 0 HZ2 LYS A 72 4.481 4.103 -9.683 1.00 1.54 H new ATOM 0 HZ3 LYS A 72 3.089 5.015 -10.025 1.00 1.54 H new ATOM 1108 N LEU A 73 0.394 4.605 -3.078 1.00 0.33 N ATOM 1109 CA LEU A 73 -0.324 5.788 -2.662 1.00 0.33 C ATOM 1110 C LEU A 73 0.000 6.964 -3.569 1.00 0.35 C ATOM 1111 O LEU A 73 1.035 6.981 -4.233 1.00 0.38 O ATOM 1112 CB LEU A 73 0.031 6.098 -1.219 1.00 0.32 C ATOM 1113 CG LEU A 73 -0.130 4.908 -0.278 1.00 0.32 C ATOM 1114 CD1 LEU A 73 0.626 5.133 1.012 1.00 0.31 C ATOM 1115 CD2 LEU A 73 -1.601 4.662 0.005 1.00 0.35 C ATOM 0 H LEU A 73 1.132 4.317 -2.436 1.00 0.33 H new ATOM 0 HA LEU A 73 -1.396 5.607 -2.737 1.00 0.33 H new ATOM 0 HB2 LEU A 73 1.062 6.448 -1.175 1.00 0.32 H new ATOM 0 HB3 LEU A 73 -0.598 6.916 -0.867 1.00 0.32 H new ATOM 0 HG LEU A 73 0.288 4.026 -0.764 1.00 0.32 H new ATOM 0 HD11 LEU A 73 0.495 4.271 1.666 1.00 0.31 H new ATOM 0 HD12 LEU A 73 1.686 5.266 0.794 1.00 0.31 H new ATOM 0 HD13 LEU A 73 0.243 6.025 1.507 1.00 0.31 H new ATOM 0 HD21 LEU A 73 -1.705 3.811 0.678 1.00 0.35 H new ATOM 0 HD22 LEU A 73 -2.035 5.547 0.470 1.00 0.35 H new ATOM 0 HD23 LEU A 73 -2.121 4.452 -0.930 1.00 0.35 H new ATOM 1127 N GLY A 74 -0.893 7.938 -3.590 1.00 0.37 N ATOM 1128 CA GLY A 74 -0.755 9.054 -4.504 1.00 0.41 C ATOM 1129 C GLY A 74 -1.535 8.839 -5.788 1.00 0.43 C ATOM 1130 O GLY A 74 -1.643 9.741 -6.619 1.00 0.49 O ATOM 0 H GLY A 74 -1.716 7.978 -2.988 1.00 0.37 H new ATOM 0 HA2 GLY A 74 -1.102 9.966 -4.018 1.00 0.41 H new ATOM 0 HA3 GLY A 74 0.299 9.200 -4.741 1.00 0.41 H new ATOM 1134 N THR A 75 -2.080 7.640 -5.950 1.00 0.43 N ATOM 1135 CA THR A 75 -2.865 7.310 -7.136 1.00 0.47 C ATOM 1136 C THR A 75 -4.319 7.056 -6.762 1.00 0.43 C ATOM 1137 O THR A 75 -5.138 6.676 -7.599 1.00 0.43 O ATOM 1138 CB THR A 75 -2.311 6.058 -7.843 1.00 0.50 C ATOM 1139 OG1 THR A 75 -2.399 4.925 -6.966 1.00 0.44 O ATOM 1140 CG2 THR A 75 -0.864 6.268 -8.270 1.00 0.62 C ATOM 0 H THR A 75 -1.994 6.879 -5.276 1.00 0.43 H new ATOM 0 HA THR A 75 -2.800 8.162 -7.813 1.00 0.47 H new ATOM 0 HB THR A 75 -2.909 5.876 -8.736 1.00 0.50 H new ATOM 0 HG1 THR A 75 -1.574 4.852 -6.442 1.00 0.44 H new ATOM 0 HG21 THR A 75 -0.497 5.370 -8.766 1.00 0.62 H new ATOM 0 HG22 THR A 75 -0.806 7.112 -8.958 1.00 0.62 H new ATOM 0 HG23 THR A 75 -0.252 6.473 -7.392 1.00 0.62 H new ATOM 1148 N ILE A 76 -4.629 7.272 -5.492 1.00 0.44 N ATOM 1149 CA ILE A 76 -5.948 6.975 -4.964 1.00 0.43 C ATOM 1150 C ILE A 76 -6.967 8.019 -5.397 1.00 0.46 C ATOM 1151 O ILE A 76 -6.821 9.208 -5.120 1.00 0.53 O ATOM 1152 CB ILE A 76 -5.909 6.887 -3.425 1.00 0.45 C ATOM 1153 CG1 ILE A 76 -4.950 5.780 -2.995 1.00 0.45 C ATOM 1154 CG2 ILE A 76 -7.302 6.637 -2.859 1.00 0.49 C ATOM 1155 CD1 ILE A 76 -4.278 6.065 -1.679 1.00 0.47 C ATOM 0 H ILE A 76 -3.978 7.655 -4.806 1.00 0.44 H new ATOM 0 HA ILE A 76 -6.254 6.010 -5.369 1.00 0.43 H new ATOM 0 HB ILE A 76 -5.553 7.839 -3.030 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -5.498 4.840 -2.922 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -4.189 5.646 -3.764 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -7.248 6.579 -1.772 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -7.964 7.454 -3.146 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -7.692 5.699 -3.254 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -3.609 5.243 -1.427 1.00 0.47 H new ATOM 0 HD12 ILE A 76 -3.705 6.989 -1.756 1.00 0.47 H new ATOM 0 HD13 ILE A 76 -5.033 6.170 -0.900 1.00 0.47 H new ATOM 1167 N THR A 77 -7.966 7.552 -6.114 1.00 0.45 N ATOM 1168 CA THR A 77 -9.080 8.370 -6.535 1.00 0.50 C ATOM 1169 C THR A 77 -10.354 7.538 -6.339 1.00 0.56 C ATOM 1170 O THR A 77 -10.276 6.315 -6.225 1.00 0.62 O ATOM 1171 CB THR A 77 -8.895 8.800 -8.017 1.00 0.51 C ATOM 1172 OG1 THR A 77 -9.778 9.867 -8.379 1.00 1.48 O ATOM 1173 CG2 THR A 77 -9.110 7.635 -8.951 1.00 1.27 C ATOM 0 H THR A 77 -8.027 6.582 -6.424 1.00 0.45 H new ATOM 0 HA THR A 77 -9.146 9.285 -5.947 1.00 0.50 H new ATOM 0 HB THR A 77 -7.869 9.155 -8.112 1.00 0.51 H new ATOM 0 HG1 THR A 77 -9.630 10.110 -9.317 1.00 1.48 H new ATOM 0 HG21 THR A 77 -8.974 7.965 -9.981 1.00 1.27 H new ATOM 0 HG22 THR A 77 -8.390 6.849 -8.724 1.00 1.27 H new ATOM 0 HG23 THR A 77 -10.121 7.249 -8.824 1.00 1.27 H new ATOM 1181 N PRO A 78 -11.535 8.180 -6.255 1.00 0.65 N ATOM 1182 CA PRO A 78 -12.820 7.488 -6.040 1.00 0.73 C ATOM 1183 C PRO A 78 -13.141 6.441 -7.109 1.00 0.75 C ATOM 1184 O PRO A 78 -14.131 5.715 -7.001 1.00 0.98 O ATOM 1185 CB PRO A 78 -13.852 8.619 -6.082 1.00 0.88 C ATOM 1186 CG PRO A 78 -13.082 9.849 -5.765 1.00 1.04 C ATOM 1187 CD PRO A 78 -11.707 9.633 -6.323 1.00 0.74 C ATOM 0 HA PRO A 78 -12.807 6.927 -5.106 1.00 0.73 H new ATOM 0 HB2 PRO A 78 -14.322 8.689 -7.063 1.00 0.88 H new ATOM 0 HB3 PRO A 78 -14.649 8.454 -5.357 1.00 0.88 H new ATOM 0 HG2 PRO A 78 -13.550 10.727 -6.210 1.00 1.04 H new ATOM 0 HG3 PRO A 78 -13.044 10.019 -4.689 1.00 1.04 H new ATOM 0 HD2 PRO A 78 -11.627 9.999 -7.347 1.00 0.74 H new ATOM 0 HD3 PRO A 78 -10.950 10.155 -5.738 1.00 0.74 H new ATOM 1195 N ASP A 79 -12.319 6.391 -8.146 1.00 0.72 N ATOM 1196 CA ASP A 79 -12.429 5.360 -9.170 1.00 0.80 C ATOM 1197 C ASP A 79 -11.659 4.115 -8.745 1.00 0.73 C ATOM 1198 O ASP A 79 -12.197 3.006 -8.734 1.00 0.85 O ATOM 1199 CB ASP A 79 -11.886 5.876 -10.502 1.00 0.90 C ATOM 1200 CG ASP A 79 -11.807 4.788 -11.554 1.00 1.35 C ATOM 1201 OD1 ASP A 79 -12.859 4.426 -12.120 1.00 2.05 O ATOM 1202 OD2 ASP A 79 -10.698 4.283 -11.814 1.00 1.64 O ATOM 0 H ASP A 79 -11.563 7.057 -8.302 1.00 0.72 H new ATOM 0 HA ASP A 79 -13.481 5.103 -9.294 1.00 0.80 H new ATOM 0 HB2 ASP A 79 -12.525 6.682 -10.864 1.00 0.90 H new ATOM 0 HB3 ASP A 79 -10.894 6.300 -10.347 1.00 0.90 H new ATOM 1207 N GLY A 80 -10.405 4.317 -8.375 1.00 0.60 N ATOM 1208 CA GLY A 80 -9.557 3.223 -7.960 1.00 0.62 C ATOM 1209 C GLY A 80 -8.170 3.702 -7.591 1.00 0.52 C ATOM 1210 O GLY A 80 -7.948 4.905 -7.437 1.00 0.65 O ATOM 0 H GLY A 80 -9.955 5.232 -8.355 1.00 0.60 H new ATOM 0 HA2 GLY A 80 -10.007 2.717 -7.106 1.00 0.62 H new ATOM 0 HA3 GLY A 80 -9.488 2.490 -8.764 1.00 0.62 H new ATOM 1214 N ALA A 81 -7.241 2.769 -7.446 1.00 0.42 N ATOM 1215 CA ALA A 81 -5.862 3.102 -7.120 1.00 0.38 C ATOM 1216 C ALA A 81 -4.907 2.111 -7.764 1.00 0.34 C ATOM 1217 O ALA A 81 -5.312 1.027 -8.193 1.00 0.35 O ATOM 1218 CB ALA A 81 -5.657 3.120 -5.614 1.00 0.50 C ATOM 0 H ALA A 81 -7.418 1.770 -7.550 1.00 0.42 H new ATOM 0 HA ALA A 81 -5.651 4.097 -7.513 1.00 0.38 H new ATOM 0 HB1 ALA A 81 -4.620 3.371 -5.391 1.00 0.50 H new ATOM 0 HB2 ALA A 81 -6.315 3.865 -5.166 1.00 0.50 H new ATOM 0 HB3 ALA A 81 -5.889 2.137 -5.203 1.00 0.50 H new ATOM 1224 N ASP A 82 -3.642 2.489 -7.821 1.00 0.34 N ATOM 1225 CA ASP A 82 -2.606 1.660 -8.428 1.00 0.34 C ATOM 1226 C ASP A 82 -1.960 0.781 -7.362 1.00 0.33 C ATOM 1227 O ASP A 82 -1.238 1.268 -6.500 1.00 0.53 O ATOM 1228 CB ASP A 82 -1.558 2.553 -9.107 1.00 0.45 C ATOM 1229 CG ASP A 82 -0.469 1.777 -9.823 1.00 0.92 C ATOM 1230 OD1 ASP A 82 -0.746 1.202 -10.896 1.00 1.25 O ATOM 1231 OD2 ASP A 82 0.682 1.776 -9.342 1.00 1.77 O ATOM 0 H ASP A 82 -3.301 3.376 -7.450 1.00 0.34 H new ATOM 0 HA ASP A 82 -3.052 1.015 -9.185 1.00 0.34 H new ATOM 0 HB2 ASP A 82 -2.058 3.205 -9.823 1.00 0.45 H new ATOM 0 HB3 ASP A 82 -1.100 3.196 -8.356 1.00 0.45 H new ATOM 1236 N VAL A 83 -2.251 -0.508 -7.400 1.00 0.34 N ATOM 1237 CA VAL A 83 -1.751 -1.435 -6.392 1.00 0.41 C ATOM 1238 C VAL A 83 -0.561 -2.214 -6.942 1.00 0.40 C ATOM 1239 O VAL A 83 -0.517 -2.531 -8.128 1.00 0.43 O ATOM 1240 CB VAL A 83 -2.855 -2.424 -5.954 1.00 0.54 C ATOM 1241 CG1 VAL A 83 -2.381 -3.307 -4.807 1.00 0.88 C ATOM 1242 CG2 VAL A 83 -4.122 -1.675 -5.567 1.00 0.70 C ATOM 0 H VAL A 83 -2.832 -0.940 -8.119 1.00 0.34 H new ATOM 0 HA VAL A 83 -1.438 -0.854 -5.524 1.00 0.41 H new ATOM 0 HB VAL A 83 -3.081 -3.071 -6.802 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -3.179 -3.992 -4.521 1.00 0.88 H new ATOM 0 HG12 VAL A 83 -1.509 -3.879 -5.124 1.00 0.88 H new ATOM 0 HG13 VAL A 83 -2.115 -2.683 -3.954 1.00 0.88 H new ATOM 0 HG21 VAL A 83 -4.887 -2.388 -5.262 1.00 0.70 H new ATOM 0 HG22 VAL A 83 -3.906 -0.998 -4.740 1.00 0.70 H new ATOM 0 HG23 VAL A 83 -4.481 -1.101 -6.422 1.00 0.70 H new ATOM 1252 N TYR A 84 0.407 -2.523 -6.093 1.00 0.41 N ATOM 1253 CA TYR A 84 1.571 -3.266 -6.535 1.00 0.42 C ATOM 1254 C TYR A 84 1.706 -4.558 -5.743 1.00 0.42 C ATOM 1255 O TYR A 84 1.522 -4.581 -4.523 1.00 0.44 O ATOM 1256 CB TYR A 84 2.840 -2.423 -6.390 1.00 0.48 C ATOM 1257 CG TYR A 84 3.945 -2.823 -7.345 1.00 0.82 C ATOM 1258 CD1 TYR A 84 4.875 -3.789 -6.982 1.00 1.74 C ATOM 1259 CD2 TYR A 84 4.065 -2.238 -8.600 1.00 1.24 C ATOM 1260 CE1 TYR A 84 5.894 -4.161 -7.840 1.00 2.45 C ATOM 1261 CE2 TYR A 84 5.082 -2.602 -9.463 1.00 1.81 C ATOM 1262 CZ TYR A 84 5.957 -3.555 -9.124 1.00 2.31 C ATOM 1263 OH TYR A 84 7.012 -3.927 -9.931 1.00 3.09 O ATOM 0 H TYR A 84 0.408 -2.273 -5.104 1.00 0.41 H new ATOM 0 HA TYR A 84 1.439 -3.511 -7.589 1.00 0.42 H new ATOM 0 HB2 TYR A 84 2.591 -1.375 -6.554 1.00 0.48 H new ATOM 0 HB3 TYR A 84 3.207 -2.507 -5.367 1.00 0.48 H new ATOM 0 HD1 TYR A 84 4.801 -4.258 -6.012 1.00 1.74 H new ATOM 0 HD2 TYR A 84 3.352 -1.487 -8.906 1.00 1.24 H new ATOM 0 HE1 TYR A 84 6.626 -4.896 -7.541 1.00 2.45 H new ATOM 0 HE2 TYR A 84 5.171 -2.112 -10.421 1.00 1.81 H new ATOM 0 HH TYR A 84 6.900 -4.861 -10.207 1.00 3.09 H new ATOM 1273 N SER A 85 2.012 -5.632 -6.446 1.00 0.43 N ATOM 1274 CA SER A 85 2.206 -6.925 -5.825 1.00 0.45 C ATOM 1275 C SER A 85 3.703 -7.162 -5.628 1.00 0.47 C ATOM 1276 O SER A 85 4.480 -7.069 -6.575 1.00 0.59 O ATOM 1277 CB SER A 85 1.572 -8.012 -6.703 1.00 0.51 C ATOM 1278 OG SER A 85 2.266 -8.171 -7.926 1.00 1.41 O ATOM 0 H SER A 85 2.132 -5.631 -7.459 1.00 0.43 H new ATOM 0 HA SER A 85 1.722 -6.958 -4.849 1.00 0.45 H new ATOM 0 HB2 SER A 85 1.567 -8.959 -6.162 1.00 0.51 H new ATOM 0 HB3 SER A 85 0.532 -7.755 -6.906 1.00 0.51 H new ATOM 0 HG SER A 85 2.104 -7.392 -8.498 1.00 1.41 H new ATOM 1284 N PHE A 86 4.116 -7.437 -4.399 1.00 0.47 N ATOM 1285 CA PHE A 86 5.537 -7.541 -4.088 1.00 0.54 C ATOM 1286 C PHE A 86 6.058 -8.955 -4.347 1.00 0.57 C ATOM 1287 O PHE A 86 7.258 -9.168 -4.502 1.00 0.70 O ATOM 1288 CB PHE A 86 5.788 -7.137 -2.632 1.00 0.60 C ATOM 1289 CG PHE A 86 7.209 -6.744 -2.348 1.00 1.16 C ATOM 1290 CD1 PHE A 86 7.636 -5.446 -2.578 1.00 2.19 C ATOM 1291 CD2 PHE A 86 8.117 -7.664 -1.852 1.00 1.30 C ATOM 1292 CE1 PHE A 86 8.942 -5.073 -2.319 1.00 3.16 C ATOM 1293 CE2 PHE A 86 9.423 -7.297 -1.591 1.00 2.20 C ATOM 1294 CZ PHE A 86 9.837 -6.001 -1.825 1.00 3.10 C ATOM 0 H PHE A 86 3.494 -7.591 -3.606 1.00 0.47 H new ATOM 0 HA PHE A 86 6.079 -6.860 -4.744 1.00 0.54 H new ATOM 0 HB2 PHE A 86 5.133 -6.304 -2.378 1.00 0.60 H new ATOM 0 HB3 PHE A 86 5.514 -7.968 -1.982 1.00 0.60 H new ATOM 0 HD1 PHE A 86 6.940 -4.716 -2.964 1.00 2.19 H new ATOM 0 HD2 PHE A 86 7.801 -8.680 -1.667 1.00 1.30 H new ATOM 0 HE1 PHE A 86 9.261 -4.058 -2.503 1.00 3.16 H new ATOM 0 HE2 PHE A 86 10.121 -8.025 -1.204 1.00 2.20 H new ATOM 0 HZ PHE A 86 10.858 -5.714 -1.622 1.00 3.10 H new ATOM 1304 N GLN A 87 5.151 -9.918 -4.401 1.00 0.56 N ATOM 1305 CA GLN A 87 5.535 -11.304 -4.632 1.00 0.67 C ATOM 1306 C GLN A 87 5.556 -11.592 -6.125 1.00 0.72 C ATOM 1307 O GLN A 87 6.456 -12.264 -6.629 1.00 0.84 O ATOM 1308 CB GLN A 87 4.565 -12.248 -3.917 1.00 0.75 C ATOM 1309 CG GLN A 87 4.973 -13.713 -3.943 1.00 0.93 C ATOM 1310 CD GLN A 87 3.971 -14.602 -3.229 1.00 1.56 C ATOM 1311 OE1 GLN A 87 3.018 -15.087 -3.835 1.00 2.36 O ATOM 1312 NE2 GLN A 87 4.176 -14.822 -1.939 1.00 2.08 N ATOM 0 H GLN A 87 4.148 -9.768 -4.289 1.00 0.56 H new ATOM 0 HA GLN A 87 6.534 -11.469 -4.229 1.00 0.67 H new ATOM 0 HB2 GLN A 87 4.468 -11.930 -2.879 1.00 0.75 H new ATOM 0 HB3 GLN A 87 3.580 -12.150 -4.374 1.00 0.75 H new ATOM 0 HG2 GLN A 87 5.075 -14.041 -4.977 1.00 0.93 H new ATOM 0 HG3 GLN A 87 5.952 -13.824 -3.476 1.00 0.93 H new ATOM 0 HE21 GLN A 87 4.979 -14.401 -1.471 1.00 2.08 H new ATOM 0 HE22 GLN A 87 3.531 -15.412 -1.413 1.00 2.08 H new ATOM 1321 N GLU A 88 4.562 -11.063 -6.830 1.00 0.68 N ATOM 1322 CA GLU A 88 4.466 -11.237 -8.273 1.00 0.75 C ATOM 1323 C GLU A 88 5.279 -10.163 -8.993 1.00 0.70 C ATOM 1324 O GLU A 88 5.568 -10.280 -10.188 1.00 0.78 O ATOM 1325 CB GLU A 88 3.005 -11.184 -8.715 1.00 0.80 C ATOM 1326 CG GLU A 88 2.137 -12.269 -8.094 1.00 1.08 C ATOM 1327 CD GLU A 88 2.598 -13.670 -8.449 1.00 1.56 C ATOM 1328 OE1 GLU A 88 2.202 -14.182 -9.517 1.00 2.02 O ATOM 1329 OE2 GLU A 88 3.379 -14.258 -7.673 1.00 2.25 O ATOM 0 H GLU A 88 3.809 -10.508 -6.423 1.00 0.68 H new ATOM 0 HA GLU A 88 4.874 -12.213 -8.535 1.00 0.75 H new ATOM 0 HB2 GLU A 88 2.592 -10.209 -8.457 1.00 0.80 H new ATOM 0 HB3 GLU A 88 2.960 -11.272 -9.800 1.00 0.80 H new ATOM 0 HG2 GLU A 88 2.141 -12.154 -7.010 1.00 1.08 H new ATOM 0 HG3 GLU A 88 1.107 -12.136 -8.424 1.00 1.08 H new ATOM 1336 N GLU A 89 5.623 -9.114 -8.242 1.00 0.62 N ATOM 1337 CA GLU A 89 6.491 -8.036 -8.715 1.00 0.65 C ATOM 1338 C GLU A 89 5.852 -7.244 -9.854 1.00 0.62 C ATOM 1339 O GLU A 89 6.549 -6.586 -10.629 1.00 0.78 O ATOM 1340 CB GLU A 89 7.855 -8.583 -9.136 1.00 0.80 C ATOM 1341 CG GLU A 89 8.592 -9.285 -8.006 1.00 1.48 C ATOM 1342 CD GLU A 89 9.926 -9.845 -8.442 1.00 1.67 C ATOM 1343 OE1 GLU A 89 9.942 -10.815 -9.223 1.00 2.29 O ATOM 1344 OE2 GLU A 89 10.970 -9.322 -7.996 1.00 1.55 O ATOM 0 H GLU A 89 5.304 -8.989 -7.281 1.00 0.62 H new ATOM 0 HA GLU A 89 6.634 -7.348 -7.882 1.00 0.65 H new ATOM 0 HB2 GLU A 89 7.720 -9.281 -9.962 1.00 0.80 H new ATOM 0 HB3 GLU A 89 8.469 -7.763 -9.508 1.00 0.80 H new ATOM 0 HG2 GLU A 89 8.747 -8.583 -7.187 1.00 1.48 H new ATOM 0 HG3 GLU A 89 7.971 -10.094 -7.620 1.00 1.48 H new ATOM 1351 N GLU A 90 4.527 -7.281 -9.927 1.00 0.49 N ATOM 1352 CA GLU A 90 3.790 -6.566 -10.961 1.00 0.53 C ATOM 1353 C GLU A 90 2.699 -5.701 -10.327 1.00 0.45 C ATOM 1354 O GLU A 90 2.268 -5.962 -9.206 1.00 0.44 O ATOM 1355 CB GLU A 90 3.160 -7.563 -11.945 1.00 0.67 C ATOM 1356 CG GLU A 90 2.134 -8.492 -11.311 1.00 1.26 C ATOM 1357 CD GLU A 90 1.446 -9.390 -12.321 1.00 1.72 C ATOM 1358 OE1 GLU A 90 0.484 -8.935 -12.973 1.00 2.05 O ATOM 1359 OE2 GLU A 90 1.875 -10.554 -12.481 1.00 2.10 O ATOM 0 H GLU A 90 3.938 -7.802 -9.278 1.00 0.49 H new ATOM 0 HA GLU A 90 4.482 -5.922 -11.503 1.00 0.53 H new ATOM 0 HB2 GLU A 90 2.683 -7.008 -12.753 1.00 0.67 H new ATOM 0 HB3 GLU A 90 3.951 -8.164 -12.394 1.00 0.67 H new ATOM 0 HG2 GLU A 90 2.626 -9.109 -10.560 1.00 1.26 H new ATOM 0 HG3 GLU A 90 1.383 -7.896 -10.792 1.00 1.26 H new ATOM 1366 N PRO A 91 2.259 -4.637 -11.011 1.00 0.47 N ATOM 1367 CA PRO A 91 1.122 -3.837 -10.559 1.00 0.45 C ATOM 1368 C PRO A 91 -0.180 -4.621 -10.700 1.00 0.44 C ATOM 1369 O PRO A 91 -0.537 -5.043 -11.799 1.00 0.51 O ATOM 1370 CB PRO A 91 1.127 -2.618 -11.495 1.00 0.54 C ATOM 1371 CG PRO A 91 2.434 -2.669 -12.218 1.00 0.64 C ATOM 1372 CD PRO A 91 2.830 -4.116 -12.259 1.00 0.60 C ATOM 0 HA PRO A 91 1.197 -3.559 -9.508 1.00 0.45 H new ATOM 0 HB2 PRO A 91 0.291 -2.657 -12.194 1.00 0.54 H new ATOM 0 HB3 PRO A 91 1.027 -1.691 -10.931 1.00 0.54 H new ATOM 0 HG2 PRO A 91 2.339 -2.262 -13.225 1.00 0.64 H new ATOM 0 HG3 PRO A 91 3.188 -2.073 -11.703 1.00 0.64 H new ATOM 0 HD2 PRO A 91 2.424 -4.623 -13.134 1.00 0.60 H new ATOM 0 HD3 PRO A 91 3.912 -4.240 -12.293 1.00 0.60 H new ATOM 1380 N VAL A 92 -0.897 -4.797 -9.600 1.00 0.41 N ATOM 1381 CA VAL A 92 -2.076 -5.650 -9.592 1.00 0.44 C ATOM 1382 C VAL A 92 -3.322 -4.864 -9.231 1.00 0.46 C ATOM 1383 O VAL A 92 -3.249 -3.739 -8.744 1.00 0.58 O ATOM 1384 CB VAL A 92 -1.946 -6.837 -8.610 1.00 0.46 C ATOM 1385 CG1 VAL A 92 -0.894 -7.821 -9.085 1.00 0.50 C ATOM 1386 CG2 VAL A 92 -1.619 -6.349 -7.208 1.00 0.46 C ATOM 0 H VAL A 92 -0.683 -4.361 -8.703 1.00 0.41 H new ATOM 0 HA VAL A 92 -2.161 -6.043 -10.605 1.00 0.44 H new ATOM 0 HB VAL A 92 -2.907 -7.350 -8.580 1.00 0.46 H new ATOM 0 HG11 VAL A 92 -0.822 -8.647 -8.377 1.00 0.50 H new ATOM 0 HG12 VAL A 92 -1.173 -8.207 -10.065 1.00 0.50 H new ATOM 0 HG13 VAL A 92 0.070 -7.317 -9.155 1.00 0.50 H new ATOM 0 HG21 VAL A 92 -1.533 -7.203 -6.536 1.00 0.46 H new ATOM 0 HG22 VAL A 92 -0.676 -5.803 -7.224 1.00 0.46 H new ATOM 0 HG23 VAL A 92 -2.414 -5.690 -6.857 1.00 0.46 H new ATOM 1396 N LEU A 93 -4.467 -5.477 -9.481 1.00 0.56 N ATOM 1397 CA LEU A 93 -5.752 -4.849 -9.219 1.00 0.59 C ATOM 1398 C LEU A 93 -6.385 -5.433 -7.962 1.00 0.56 C ATOM 1399 O LEU A 93 -6.331 -6.644 -7.741 1.00 0.66 O ATOM 1400 CB LEU A 93 -6.689 -5.059 -10.413 1.00 0.67 C ATOM 1401 CG LEU A 93 -7.505 -3.839 -10.835 1.00 0.87 C ATOM 1402 CD1 LEU A 93 -8.317 -4.150 -12.081 1.00 1.32 C ATOM 1403 CD2 LEU A 93 -8.420 -3.368 -9.712 1.00 1.49 C ATOM 0 H LEU A 93 -4.533 -6.418 -9.869 1.00 0.56 H new ATOM 0 HA LEU A 93 -5.591 -3.781 -9.068 1.00 0.59 H new ATOM 0 HB2 LEU A 93 -6.094 -5.388 -11.265 1.00 0.67 H new ATOM 0 HB3 LEU A 93 -7.378 -5.869 -10.173 1.00 0.67 H new ATOM 0 HG LEU A 93 -6.807 -3.032 -11.060 1.00 0.87 H new ATOM 0 HD11 LEU A 93 -8.893 -3.271 -12.369 1.00 1.32 H new ATOM 0 HD12 LEU A 93 -7.645 -4.426 -12.894 1.00 1.32 H new ATOM 0 HD13 LEU A 93 -8.996 -4.977 -11.875 1.00 1.32 H new ATOM 0 HD21 LEU A 93 -8.987 -2.498 -10.045 1.00 1.49 H new ATOM 0 HD22 LEU A 93 -9.109 -4.169 -9.444 1.00 1.49 H new ATOM 0 HD23 LEU A 93 -7.820 -3.099 -8.843 1.00 1.49 H new ATOM 1415 N ASP A 94 -6.977 -4.572 -7.151 1.00 0.57 N ATOM 1416 CA ASP A 94 -7.684 -5.005 -5.950 1.00 0.54 C ATOM 1417 C ASP A 94 -9.174 -4.718 -6.084 1.00 0.53 C ATOM 1418 O ASP A 94 -9.589 -3.563 -6.159 1.00 0.54 O ATOM 1419 CB ASP A 94 -7.131 -4.305 -4.706 1.00 0.56 C ATOM 1420 CG ASP A 94 -7.920 -4.632 -3.446 1.00 0.64 C ATOM 1421 OD1 ASP A 94 -8.433 -5.765 -3.344 1.00 0.85 O ATOM 1422 OD2 ASP A 94 -8.038 -3.759 -2.556 1.00 0.85 O ATOM 0 H ASP A 94 -6.984 -3.563 -7.301 1.00 0.57 H new ATOM 0 HA ASP A 94 -7.533 -6.079 -5.838 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -6.090 -4.596 -4.563 1.00 0.56 H new ATOM 0 HB3 ASP A 94 -7.142 -3.227 -4.866 1.00 0.56 H new ATOM 1427 N PRO A 95 -9.994 -5.773 -6.138 1.00 0.59 N ATOM 1428 CA PRO A 95 -11.450 -5.650 -6.261 1.00 0.66 C ATOM 1429 C PRO A 95 -12.106 -5.056 -5.014 1.00 0.64 C ATOM 1430 O PRO A 95 -13.257 -4.617 -5.055 1.00 0.74 O ATOM 1431 CB PRO A 95 -11.919 -7.098 -6.468 1.00 0.75 C ATOM 1432 CG PRO A 95 -10.691 -7.855 -6.841 1.00 0.77 C ATOM 1433 CD PRO A 95 -9.569 -7.178 -6.120 1.00 0.66 C ATOM 0 HA PRO A 95 -11.724 -4.974 -7.071 1.00 0.66 H new ATOM 0 HB2 PRO A 95 -12.369 -7.500 -5.560 1.00 0.75 H new ATOM 0 HB3 PRO A 95 -12.673 -7.160 -7.252 1.00 0.75 H new ATOM 0 HG2 PRO A 95 -10.771 -8.902 -6.547 1.00 0.77 H new ATOM 0 HG3 PRO A 95 -10.532 -7.838 -7.919 1.00 0.77 H new ATOM 0 HD2 PRO A 95 -9.451 -7.555 -5.104 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -8.614 -7.321 -6.626 1.00 0.66 H new ATOM 1441 N HIS A 96 -11.378 -5.038 -3.906 1.00 0.58 N ATOM 1442 CA HIS A 96 -11.924 -4.535 -2.653 1.00 0.64 C ATOM 1443 C HIS A 96 -11.120 -3.362 -2.130 1.00 0.57 C ATOM 1444 O HIS A 96 -10.810 -3.295 -0.938 1.00 0.58 O ATOM 1445 CB HIS A 96 -11.975 -5.637 -1.596 1.00 0.80 C ATOM 1446 CG HIS A 96 -13.079 -6.620 -1.809 1.00 1.01 C ATOM 1447 ND1 HIS A 96 -12.874 -7.907 -2.253 1.00 1.93 N ATOM 1448 CD2 HIS A 96 -14.412 -6.496 -1.623 1.00 1.18 C ATOM 1449 CE1 HIS A 96 -14.038 -8.530 -2.330 1.00 1.93 C ATOM 1450 NE2 HIS A 96 -14.986 -7.696 -1.954 1.00 1.31 N ATOM 0 H HIS A 96 -10.413 -5.364 -3.849 1.00 0.58 H new ATOM 0 HA HIS A 96 -12.939 -4.195 -2.859 1.00 0.64 H new ATOM 0 HB2 HIS A 96 -11.023 -6.168 -1.591 1.00 0.80 H new ATOM 0 HB3 HIS A 96 -12.091 -5.181 -0.613 1.00 0.80 H new ATOM 0 HD2 HIS A 96 -14.930 -5.614 -1.277 1.00 1.18 H new ATOM 0 HE1 HIS A 96 -14.187 -9.551 -2.648 1.00 1.93 H new ATOM 0 HE2 HIS A 96 -15.983 -7.908 -1.916 1.00 1.31 H new ATOM 1459 N LEU A 97 -10.788 -2.441 -3.023 1.00 0.56 N ATOM 1460 CA LEU A 97 -10.091 -1.222 -2.637 1.00 0.54 C ATOM 1461 C LEU A 97 -10.875 -0.488 -1.563 1.00 0.54 C ATOM 1462 O LEU A 97 -10.336 -0.152 -0.513 1.00 0.55 O ATOM 1463 CB LEU A 97 -9.896 -0.307 -3.848 1.00 0.59 C ATOM 1464 CG LEU A 97 -8.956 -0.830 -4.932 1.00 0.62 C ATOM 1465 CD1 LEU A 97 -9.016 0.074 -6.148 1.00 0.73 C ATOM 1466 CD2 LEU A 97 -7.531 -0.927 -4.406 1.00 0.63 C ATOM 0 H LEU A 97 -10.990 -2.514 -4.020 1.00 0.56 H new ATOM 0 HA LEU A 97 -9.113 -1.497 -2.243 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -10.871 -0.119 -4.298 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -9.517 0.653 -3.497 1.00 0.59 H new ATOM 0 HG LEU A 97 -9.277 -1.830 -5.222 1.00 0.62 H new ATOM 0 HD11 LEU A 97 -8.343 -0.305 -6.917 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -10.035 0.095 -6.536 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -8.714 1.083 -5.867 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -6.877 -1.302 -5.194 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -7.191 0.060 -4.091 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -7.503 -1.609 -3.556 1.00 0.63 H new ATOM 1478 N ALA A 98 -12.162 -0.283 -1.817 1.00 0.58 N ATOM 1479 CA ALA A 98 -13.015 0.457 -0.896 1.00 0.63 C ATOM 1480 C ALA A 98 -13.108 -0.251 0.450 1.00 0.61 C ATOM 1481 O ALA A 98 -13.218 0.392 1.488 1.00 0.65 O ATOM 1482 CB ALA A 98 -14.398 0.652 -1.493 1.00 0.74 C ATOM 0 H ALA A 98 -12.638 -0.619 -2.654 1.00 0.58 H new ATOM 0 HA ALA A 98 -12.567 1.437 -0.732 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -15.022 1.206 -0.792 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -14.316 1.210 -2.426 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -14.850 -0.320 -1.690 1.00 0.74 H new ATOM 1488 N LYS A 99 -13.054 -1.575 0.428 1.00 0.60 N ATOM 1489 CA LYS A 99 -13.102 -2.362 1.652 1.00 0.64 C ATOM 1490 C LYS A 99 -11.801 -2.221 2.431 1.00 0.58 C ATOM 1491 O LYS A 99 -11.804 -2.045 3.652 1.00 0.61 O ATOM 1492 CB LYS A 99 -13.349 -3.832 1.325 1.00 0.73 C ATOM 1493 CG LYS A 99 -13.497 -4.723 2.548 1.00 0.89 C ATOM 1494 CD LYS A 99 -14.665 -4.292 3.425 1.00 1.73 C ATOM 1495 CE LYS A 99 -14.756 -5.149 4.677 1.00 2.30 C ATOM 1496 NZ LYS A 99 -15.875 -4.736 5.568 1.00 2.81 N ATOM 0 H LYS A 99 -12.977 -2.128 -0.426 1.00 0.60 H new ATOM 0 HA LYS A 99 -13.922 -1.989 2.266 1.00 0.64 H new ATOM 0 HB2 LYS A 99 -14.252 -3.912 0.719 1.00 0.73 H new ATOM 0 HB3 LYS A 99 -12.523 -4.202 0.717 1.00 0.73 H new ATOM 0 HG2 LYS A 99 -13.643 -5.755 2.230 1.00 0.89 H new ATOM 0 HG3 LYS A 99 -12.576 -4.696 3.131 1.00 0.89 H new ATOM 0 HD2 LYS A 99 -14.546 -3.245 3.705 1.00 1.73 H new ATOM 0 HD3 LYS A 99 -15.595 -4.368 2.861 1.00 1.73 H new ATOM 0 HE2 LYS A 99 -14.889 -6.192 4.391 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -13.816 -5.087 5.226 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -15.895 -5.350 6.407 1.00 2.81 H new ATOM 0 HZ2 LYS A 99 -15.736 -3.749 5.864 1.00 2.81 H new ATOM 0 HZ3 LYS A 99 -16.776 -4.820 5.056 1.00 2.81 H new ATOM 1510 N HIS A 100 -10.686 -2.295 1.718 1.00 0.55 N ATOM 1511 CA HIS A 100 -9.381 -2.192 2.351 1.00 0.59 C ATOM 1512 C HIS A 100 -9.168 -0.795 2.915 1.00 0.57 C ATOM 1513 O HIS A 100 -8.710 -0.643 4.045 1.00 0.62 O ATOM 1514 CB HIS A 100 -8.261 -2.573 1.376 1.00 0.69 C ATOM 1515 CG HIS A 100 -8.188 -4.049 1.106 1.00 1.73 C ATOM 1516 ND1 HIS A 100 -8.233 -4.599 -0.156 1.00 2.69 N ATOM 1517 CD2 HIS A 100 -8.061 -5.095 1.958 1.00 2.45 C ATOM 1518 CE1 HIS A 100 -8.140 -5.912 -0.070 1.00 3.49 C ATOM 1519 NE2 HIS A 100 -8.034 -6.239 1.203 1.00 3.34 N ATOM 0 H HIS A 100 -10.659 -2.425 0.707 1.00 0.55 H new ATOM 0 HA HIS A 100 -9.349 -2.900 3.179 1.00 0.59 H new ATOM 0 HB2 HIS A 100 -8.413 -2.045 0.435 1.00 0.69 H new ATOM 0 HB3 HIS A 100 -7.306 -2.236 1.780 1.00 0.69 H new ATOM 0 HD1 HIS A 100 -8.324 -4.072 -1.024 1.00 2.69 H new ATOM 0 HD2 HIS A 100 -7.993 -5.038 3.034 1.00 2.45 H new ATOM 0 HE1 HIS A 100 -8.149 -6.602 -0.901 1.00 3.49 H new ATOM 1528 N LEU A 101 -9.543 0.221 2.144 1.00 0.58 N ATOM 1529 CA LEU A 101 -9.414 1.602 2.585 1.00 0.66 C ATOM 1530 C LEU A 101 -10.376 1.884 3.726 1.00 0.68 C ATOM 1531 O LEU A 101 -10.086 2.686 4.608 1.00 0.76 O ATOM 1532 CB LEU A 101 -9.685 2.564 1.430 1.00 0.70 C ATOM 1533 CG LEU A 101 -8.881 2.285 0.164 1.00 0.72 C ATOM 1534 CD1 LEU A 101 -9.185 3.318 -0.908 1.00 0.81 C ATOM 1535 CD2 LEU A 101 -7.395 2.248 0.477 1.00 0.79 C ATOM 0 H LEU A 101 -9.939 0.112 1.210 1.00 0.58 H new ATOM 0 HA LEU A 101 -8.393 1.753 2.935 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -10.747 2.526 1.185 1.00 0.70 H new ATOM 0 HB3 LEU A 101 -9.471 3.579 1.763 1.00 0.70 H new ATOM 0 HG LEU A 101 -9.174 1.308 -0.221 1.00 0.72 H new ATOM 0 HD11 LEU A 101 -8.600 3.098 -1.801 1.00 0.81 H new ATOM 0 HD12 LEU A 101 -10.247 3.287 -1.153 1.00 0.81 H new ATOM 0 HD13 LEU A 101 -8.927 4.311 -0.540 1.00 0.81 H new ATOM 0 HD21 LEU A 101 -6.836 2.048 -0.437 1.00 0.79 H new ATOM 0 HD22 LEU A 101 -7.086 3.209 0.889 1.00 0.79 H new ATOM 0 HD23 LEU A 101 -7.196 1.461 1.204 1.00 0.79 H new ATOM 1547 N ALA A 102 -11.521 1.214 3.704 1.00 0.68 N ATOM 1548 CA ALA A 102 -12.502 1.337 4.781 1.00 0.78 C ATOM 1549 C ALA A 102 -11.921 0.859 6.104 1.00 0.76 C ATOM 1550 O ALA A 102 -12.193 1.437 7.155 1.00 0.85 O ATOM 1551 CB ALA A 102 -13.762 0.558 4.456 1.00 0.88 C ATOM 0 H ALA A 102 -11.796 0.580 2.954 1.00 0.68 H new ATOM 0 HA ALA A 102 -12.759 2.392 4.876 1.00 0.78 H new ATOM 0 HB1 ALA A 102 -14.477 0.665 5.272 1.00 0.88 H new ATOM 0 HB2 ALA A 102 -14.201 0.944 3.536 1.00 0.88 H new ATOM 0 HB3 ALA A 102 -13.515 -0.496 4.326 1.00 0.88 H new ATOM 1557 N HIS A 103 -11.102 -0.190 6.044 1.00 0.72 N ATOM 1558 CA HIS A 103 -10.415 -0.702 7.231 1.00 0.79 C ATOM 1559 C HIS A 103 -9.360 0.299 7.708 1.00 0.88 C ATOM 1560 O HIS A 103 -8.788 0.158 8.789 1.00 1.02 O ATOM 1561 CB HIS A 103 -9.768 -2.060 6.922 1.00 0.86 C ATOM 1562 CG HIS A 103 -9.045 -2.678 8.088 1.00 1.10 C ATOM 1563 ND1 HIS A 103 -7.674 -2.834 8.130 1.00 1.75 N ATOM 1564 CD2 HIS A 103 -9.512 -3.180 9.256 1.00 1.50 C ATOM 1565 CE1 HIS A 103 -7.334 -3.403 9.272 1.00 1.77 C ATOM 1566 NE2 HIS A 103 -8.428 -3.622 9.975 1.00 1.52 N ATOM 0 H HIS A 103 -10.897 -0.703 5.186 1.00 0.72 H new ATOM 0 HA HIS A 103 -11.145 -0.838 8.029 1.00 0.79 H new ATOM 0 HB2 HIS A 103 -10.541 -2.749 6.582 1.00 0.86 H new ATOM 0 HB3 HIS A 103 -9.066 -1.936 6.098 1.00 0.86 H new ATOM 0 HD2 HIS A 103 -10.546 -3.225 9.565 1.00 1.50 H new ATOM 0 HE1 HIS A 103 -6.328 -3.648 9.579 1.00 1.77 H new ATOM 0 HE2 HIS A 103 -8.464 -4.049 10.900 1.00 1.52 H new ATOM 1575 N PHE A 104 -9.115 1.311 6.892 1.00 0.86 N ATOM 1576 CA PHE A 104 -8.128 2.332 7.202 1.00 1.03 C ATOM 1577 C PHE A 104 -8.794 3.679 7.447 1.00 1.11 C ATOM 1578 O PHE A 104 -8.134 4.659 7.793 1.00 1.29 O ATOM 1579 CB PHE A 104 -7.120 2.434 6.057 1.00 1.06 C ATOM 1580 CG PHE A 104 -6.177 1.265 6.008 1.00 1.10 C ATOM 1581 CD1 PHE A 104 -5.364 0.970 7.090 1.00 1.34 C ATOM 1582 CD2 PHE A 104 -6.116 0.454 4.888 1.00 1.24 C ATOM 1583 CE1 PHE A 104 -4.508 -0.113 7.057 1.00 1.40 C ATOM 1584 CE2 PHE A 104 -5.260 -0.630 4.847 1.00 1.35 C ATOM 1585 CZ PHE A 104 -4.457 -0.914 5.933 1.00 1.30 C ATOM 0 H PHE A 104 -9.592 1.448 6.001 1.00 0.86 H new ATOM 0 HA PHE A 104 -7.606 2.048 8.116 1.00 1.03 H new ATOM 0 HB2 PHE A 104 -7.657 2.502 5.111 1.00 1.06 H new ATOM 0 HB3 PHE A 104 -6.546 3.354 6.165 1.00 1.06 H new ATOM 0 HD1 PHE A 104 -5.400 1.595 7.970 1.00 1.34 H new ATOM 0 HD2 PHE A 104 -6.744 0.671 4.037 1.00 1.24 H new ATOM 0 HE1 PHE A 104 -3.880 -0.333 7.908 1.00 1.40 H new ATOM 0 HE2 PHE A 104 -5.219 -1.254 3.966 1.00 1.35 H new ATOM 0 HZ PHE A 104 -3.789 -1.762 5.904 1.00 1.30 H new ATOM 1595 N GLY A 105 -10.108 3.721 7.267 1.00 1.03 N ATOM 1596 CA GLY A 105 -10.835 4.966 7.401 1.00 1.17 C ATOM 1597 C GLY A 105 -10.562 5.906 6.243 1.00 1.18 C ATOM 1598 O GLY A 105 -10.901 7.087 6.293 1.00 1.35 O ATOM 0 H GLY A 105 -10.683 2.913 7.030 1.00 1.03 H new ATOM 0 HA2 GLY A 105 -11.904 4.759 7.456 1.00 1.17 H new ATOM 0 HA3 GLY A 105 -10.556 5.451 8.336 1.00 1.17 H new ATOM 1602 N ILE A 106 -9.941 5.374 5.203 1.00 1.03 N ATOM 1603 CA ILE A 106 -9.599 6.146 4.025 1.00 1.04 C ATOM 1604 C ILE A 106 -10.799 6.254 3.091 1.00 0.98 C ATOM 1605 O ILE A 106 -11.228 5.265 2.496 1.00 0.96 O ATOM 1606 CB ILE A 106 -8.401 5.512 3.290 1.00 0.98 C ATOM 1607 CG1 ILE A 106 -7.173 5.527 4.199 1.00 1.16 C ATOM 1608 CG2 ILE A 106 -8.120 6.257 1.996 1.00 0.98 C ATOM 1609 CD1 ILE A 106 -5.959 4.878 3.582 1.00 1.22 C ATOM 0 H ILE A 106 -9.661 4.394 5.154 1.00 1.03 H new ATOM 0 HA ILE A 106 -9.316 7.149 4.343 1.00 1.04 H new ATOM 0 HB ILE A 106 -8.641 4.478 3.041 1.00 0.98 H new ATOM 0 HG12 ILE A 106 -6.933 6.559 4.455 1.00 1.16 H new ATOM 0 HG13 ILE A 106 -7.414 5.016 5.131 1.00 1.16 H new ATOM 0 HG21 ILE A 106 -7.272 5.798 1.489 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -8.997 6.210 1.351 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -7.889 7.299 2.219 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -5.126 4.925 4.283 1.00 1.22 H new ATOM 0 HD12 ILE A 106 -6.181 3.836 3.352 1.00 1.22 H new ATOM 0 HD13 ILE A 106 -5.692 5.403 2.665 1.00 1.22 H new ATOM 1621 N ASP A 107 -11.352 7.455 2.991 1.00 1.09 N ATOM 1622 CA ASP A 107 -12.524 7.699 2.158 1.00 1.17 C ATOM 1623 C ASP A 107 -12.117 8.301 0.826 1.00 1.10 C ATOM 1624 O ASP A 107 -11.527 9.381 0.770 1.00 1.21 O ATOM 1625 CB ASP A 107 -13.491 8.647 2.862 1.00 1.52 C ATOM 1626 CG ASP A 107 -14.778 8.867 2.083 1.00 1.93 C ATOM 1627 OD1 ASP A 107 -15.050 8.106 1.130 1.00 2.14 O ATOM 1628 OD2 ASP A 107 -15.529 9.802 2.430 1.00 2.60 O ATOM 0 H ASP A 107 -11.006 8.281 3.479 1.00 1.09 H new ATOM 0 HA ASP A 107 -13.017 6.742 1.984 1.00 1.17 H new ATOM 0 HB2 ASP A 107 -13.732 8.246 3.846 1.00 1.52 H new ATOM 0 HB3 ASP A 107 -13.000 9.607 3.020 1.00 1.52 H new ATOM 1633 N MET A 108 -12.452 7.597 -0.243 1.00 0.98 N ATOM 1634 CA MET A 108 -12.140 8.043 -1.589 1.00 0.94 C ATOM 1635 C MET A 108 -12.918 9.298 -1.933 1.00 1.07 C ATOM 1636 O MET A 108 -12.420 10.200 -2.605 1.00 1.20 O ATOM 1637 CB MET A 108 -12.503 6.951 -2.593 1.00 0.87 C ATOM 1638 CG MET A 108 -11.779 5.642 -2.358 1.00 0.96 C ATOM 1639 SD MET A 108 -12.208 4.382 -3.577 1.00 1.72 S ATOM 1640 CE MET A 108 -13.963 4.201 -3.263 1.00 2.07 C ATOM 0 H MET A 108 -12.945 6.705 -0.202 1.00 0.98 H new ATOM 0 HA MET A 108 -11.072 8.258 -1.636 1.00 0.94 H new ATOM 0 HB2 MET A 108 -13.578 6.774 -2.551 1.00 0.87 H new ATOM 0 HB3 MET A 108 -12.277 7.305 -3.599 1.00 0.87 H new ATOM 0 HG2 MET A 108 -10.703 5.816 -2.384 1.00 0.96 H new ATOM 0 HG3 MET A 108 -12.018 5.273 -1.360 1.00 0.96 H new ATOM 0 HE1 MET A 108 -14.303 3.238 -3.643 1.00 2.07 H new ATOM 0 HE2 MET A 108 -14.148 4.254 -2.190 1.00 2.07 H new ATOM 0 HE3 MET A 108 -14.507 5.001 -3.765 1.00 2.07 H new ATOM 1650 N LEU A 109 -14.143 9.344 -1.457 1.00 1.17 N ATOM 1651 CA LEU A 109 -15.066 10.392 -1.806 1.00 1.40 C ATOM 1652 C LEU A 109 -14.745 11.690 -1.078 1.00 1.71 C ATOM 1653 O LEU A 109 -15.216 12.759 -1.457 1.00 2.17 O ATOM 1654 CB LEU A 109 -16.468 9.920 -1.477 1.00 1.57 C ATOM 1655 CG LEU A 109 -16.827 8.545 -2.043 1.00 1.50 C ATOM 1656 CD1 LEU A 109 -18.266 8.210 -1.719 1.00 1.89 C ATOM 1657 CD2 LEU A 109 -16.577 8.488 -3.545 1.00 1.30 C ATOM 0 H LEU A 109 -14.525 8.650 -0.814 1.00 1.17 H new ATOM 0 HA LEU A 109 -14.983 10.604 -2.872 1.00 1.40 H new ATOM 0 HB2 LEU A 109 -16.583 9.894 -0.393 1.00 1.57 H new ATOM 0 HB3 LEU A 109 -17.182 10.652 -1.856 1.00 1.57 H new ATOM 0 HG LEU A 109 -16.184 7.800 -1.575 1.00 1.50 H new ATOM 0 HD11 LEU A 109 -18.512 7.229 -2.126 1.00 1.89 H new ATOM 0 HD12 LEU A 109 -18.402 8.198 -0.638 1.00 1.89 H new ATOM 0 HD13 LEU A 109 -18.922 8.961 -2.159 1.00 1.89 H new ATOM 0 HD21 LEU A 109 -16.841 7.499 -3.920 1.00 1.30 H new ATOM 0 HD22 LEU A 109 -17.187 9.241 -4.044 1.00 1.30 H new ATOM 0 HD23 LEU A 109 -15.524 8.683 -3.746 1.00 1.30 H new ATOM 1669 N HIS A 110 -13.931 11.597 -0.044 1.00 1.70 N ATOM 1670 CA HIS A 110 -13.546 12.774 0.725 1.00 2.08 C ATOM 1671 C HIS A 110 -12.529 13.618 -0.039 1.00 2.42 C ATOM 1672 O HIS A 110 -12.491 14.836 0.107 1.00 2.88 O ATOM 1673 CB HIS A 110 -12.967 12.367 2.083 1.00 2.46 C ATOM 1674 CG HIS A 110 -12.609 13.535 2.955 1.00 2.88 C ATOM 1675 ND1 HIS A 110 -11.311 13.950 3.167 1.00 3.40 N ATOM 1676 CD2 HIS A 110 -13.391 14.384 3.660 1.00 3.25 C ATOM 1677 CE1 HIS A 110 -11.313 15.001 3.964 1.00 3.81 C ATOM 1678 NE2 HIS A 110 -12.561 15.286 4.278 1.00 3.69 N ATOM 0 H HIS A 110 -13.522 10.723 0.286 1.00 1.70 H new ATOM 0 HA HIS A 110 -14.443 13.372 0.887 1.00 2.08 H new ATOM 0 HB2 HIS A 110 -13.691 11.742 2.605 1.00 2.46 H new ATOM 0 HB3 HIS A 110 -12.078 11.758 1.922 1.00 2.46 H new ATOM 0 HD2 HIS A 110 -14.469 14.357 3.725 1.00 3.25 H new ATOM 0 HE1 HIS A 110 -10.439 15.538 4.302 1.00 3.81 H new ATOM 0 HE2 HIS A 110 -12.861 16.052 4.882 1.00 3.69 H new ATOM 1687 N MET A 111 -11.715 12.968 -0.860 1.00 2.65 N ATOM 1688 CA MET A 111 -10.616 13.650 -1.536 1.00 3.48 C ATOM 1689 C MET A 111 -10.970 14.020 -2.976 1.00 3.63 C ATOM 1690 O MET A 111 -10.095 14.369 -3.765 1.00 4.24 O ATOM 1691 CB MET A 111 -9.361 12.774 -1.505 1.00 4.22 C ATOM 1692 CG MET A 111 -9.520 11.440 -2.213 1.00 4.76 C ATOM 1693 SD MET A 111 -8.116 10.342 -1.940 1.00 5.56 S ATOM 1694 CE MET A 111 -6.783 11.323 -2.626 1.00 6.12 C ATOM 0 H MET A 111 -11.793 11.974 -1.074 1.00 2.65 H new ATOM 0 HA MET A 111 -10.424 14.580 -1.001 1.00 3.48 H new ATOM 0 HB2 MET A 111 -8.537 13.321 -1.964 1.00 4.22 H new ATOM 0 HB3 MET A 111 -9.083 12.592 -0.467 1.00 4.22 H new ATOM 0 HG2 MET A 111 -10.431 10.953 -1.864 1.00 4.76 H new ATOM 0 HG3 MET A 111 -9.640 11.612 -3.283 1.00 4.76 H new ATOM 0 HE1 MET A 111 -5.913 10.688 -2.794 1.00 6.12 H new ATOM 0 HE2 MET A 111 -7.102 11.760 -3.572 1.00 6.12 H new ATOM 0 HE3 MET A 111 -6.521 12.119 -1.929 1.00 6.12 H new ATOM 1704 N HIS A 112 -12.251 13.961 -3.315 1.00 3.37 N ATOM 1705 CA HIS A 112 -12.696 14.299 -4.664 1.00 3.76 C ATOM 1706 C HIS A 112 -14.201 14.501 -4.679 1.00 3.53 C ATOM 1707 O HIS A 112 -14.687 15.578 -5.028 1.00 4.16 O ATOM 1708 CB HIS A 112 -12.286 13.200 -5.654 1.00 4.50 C ATOM 1709 CG HIS A 112 -12.327 13.611 -7.098 1.00 5.27 C ATOM 1710 ND1 HIS A 112 -13.325 13.217 -7.965 1.00 5.75 N ATOM 1711 CD2 HIS A 112 -11.470 14.364 -7.833 1.00 6.01 C ATOM 1712 CE1 HIS A 112 -13.080 13.706 -9.168 1.00 6.61 C ATOM 1713 NE2 HIS A 112 -11.964 14.405 -9.115 1.00 6.78 N ATOM 0 H HIS A 112 -12.999 13.684 -2.679 1.00 3.37 H new ATOM 0 HA HIS A 112 -12.217 15.229 -4.971 1.00 3.76 H new ATOM 0 HB2 HIS A 112 -11.275 12.870 -5.412 1.00 4.50 H new ATOM 0 HB3 HIS A 112 -12.943 12.341 -5.516 1.00 4.50 H new ATOM 0 HD2 HIS A 112 -10.569 14.841 -7.477 1.00 6.01 H new ATOM 0 HE1 HIS A 112 -13.691 13.558 -10.046 1.00 6.61 H new ATOM 0 HE2 HIS A 112 -11.536 14.897 -9.899 1.00 6.78 H new ATOM 1722 N GLY A 113 -14.929 13.464 -4.280 1.00 2.99 N ATOM 1723 CA GLY A 113 -16.376 13.548 -4.189 1.00 3.33 C ATOM 1724 C GLY A 113 -17.043 13.563 -5.543 1.00 3.80 C ATOM 1725 O GLY A 113 -17.665 12.581 -5.950 1.00 4.08 O ATOM 0 H GLY A 113 -14.539 12.559 -4.016 1.00 2.99 H new ATOM 0 HA2 GLY A 113 -16.750 12.701 -3.613 1.00 3.33 H new ATOM 0 HA3 GLY A 113 -16.650 14.451 -3.643 1.00 3.33 H new ATOM 1729 N THR A 114 -16.882 14.668 -6.247 1.00 4.30 N ATOM 1730 CA THR A 114 -17.508 14.866 -7.537 1.00 5.21 C ATOM 1731 C THR A 114 -16.517 14.601 -8.665 1.00 5.66 C ATOM 1732 O THR A 114 -16.591 13.518 -9.283 1.00 6.13 O ATOM 1733 CB THR A 114 -18.060 16.300 -7.647 1.00 5.98 C ATOM 1734 OG1 THR A 114 -17.028 17.248 -7.321 1.00 6.34 O ATOM 1735 CG2 THR A 114 -19.234 16.492 -6.705 1.00 6.29 C ATOM 1736 OXT THR A 114 -15.651 15.466 -8.912 1.00 5.90 O ATOM 0 H THR A 114 -16.311 15.455 -5.938 1.00 4.30 H new ATOM 0 HA THR A 114 -18.333 14.159 -7.628 1.00 5.21 H new ATOM 0 HB THR A 114 -18.396 16.462 -8.671 1.00 5.98 H new ATOM 0 HG1 THR A 114 -16.188 16.977 -7.747 1.00 6.34 H new ATOM 0 HG21 THR A 114 -19.611 17.511 -6.796 1.00 6.29 H new ATOM 0 HG22 THR A 114 -20.025 15.788 -6.962 1.00 6.29 H new ATOM 0 HG23 THR A 114 -18.910 16.316 -5.679 1.00 6.29 H new TER 1744 THR A 114 HETATM 1745 ZN ZN A 124 10.983 4.842 2.757 1.00 0.64 ZN