USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 HIS : no HE2:sc= 0.421 K(o=-1.7,f=-10!) USER MOD Set 1.2: A 77 ASN : amide:sc= -2.17 K(o=-1.7,f=-10!) USER MOD Set 2.1: A 59 SER OG : rot 36:sc= 0.939 USER MOD Set 2.2: A 94 HIS : +bothHN:sc= 0.256 K(o=2.3,f=-4!) USER MOD Set 2.3: A 105 TYR OH : rot 150:sc= 1.09 USER MOD Set 3.1: A 39 ASN :FLIP amide:sc= -1.89 F(o=-3.3!,f=-1.9) USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0.0382 USER MOD Set 3.3: A 75 TYR OH : rot 180:sc=-0.00235 USER MOD Set 4.1: A 23 THR OG1 : rot 151:sc= 2.43 USER MOD Set 4.2: A 26 THR OG1 : rot -56:sc= 1.22 USER MOD Set 4.3: A 74 HIS : no HD1:sc= 0.441 K(o=4.1,f=-5.3!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.193 (180deg=-0.75) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0631) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 0.124 (180deg=-0.328) USER MOD Single : A 18 THR OG1 : rot 6:sc= 0.141 USER MOD Single : A 24 ASN : amide:sc= -0.573 K(o=-0.57,f=-3.7!) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0442 (180deg=-0.273) USER MOD Single : A 27 TYR OH : rot 30:sc= 0.0404 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.358 K(o=-0.36,f=-4.2!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 130:sc= 0.16 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 69:sc= 0.745 USER MOD Single : A 67 SER OG : rot 180:sc= 0.171 USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0962) USER MOD Single : A 71 THR OG1 : rot 46:sc= 0.0151 USER MOD Single : A 72 CYS SG : rot 180:sc=0.000607 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.033) USER MOD Single : A 89 HIS : no HD1:sc= -3.24 X(o=-3.2,f=-3.5) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 107 ASN : amide:sc= 1.71 K(o=1.7,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.353 -8.396 10.881 1.00 0.00 N ATOM 2 CA MET A 1 -10.664 -9.031 9.733 1.00 0.00 C ATOM 3 C MET A 1 -9.742 -8.031 9.064 1.00 0.00 C ATOM 4 O MET A 1 -10.097 -6.866 8.898 1.00 0.00 O ATOM 5 CB MET A 1 -11.676 -9.565 8.712 1.00 0.00 C ATOM 6 CG MET A 1 -12.512 -10.724 9.225 1.00 0.00 C ATOM 7 SD MET A 1 -13.717 -11.307 8.014 1.00 0.00 S ATOM 8 CE MET A 1 -14.731 -9.842 7.816 1.00 0.00 C ATOM 0 H1 MET A 1 -11.877 -9.119 11.415 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.650 -7.948 11.503 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.016 -7.675 10.532 1.00 0.00 H new ATOM 0 HA MET A 1 -10.079 -9.870 10.110 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.340 -8.754 8.415 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.141 -9.883 7.817 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.853 -11.547 9.501 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.034 -10.417 10.131 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.704 -10.125 7.414 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.865 -9.359 8.784 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.242 -9.151 7.130 1.00 0.00 H new ATOM 20 N TYR A 2 -8.556 -8.482 8.691 1.00 0.00 N ATOM 21 CA TYR A 2 -7.595 -7.624 8.019 1.00 0.00 C ATOM 22 C TYR A 2 -7.952 -7.479 6.548 1.00 0.00 C ATOM 23 O TYR A 2 -8.725 -8.270 6.003 1.00 0.00 O ATOM 24 CB TYR A 2 -6.176 -8.182 8.150 1.00 0.00 C ATOM 25 CG TYR A 2 -5.609 -8.119 9.550 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.866 -9.123 10.474 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.807 -7.056 9.943 1.00 0.00 C ATOM 28 CE1 TYR A 2 -5.342 -9.069 11.751 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.279 -6.992 11.218 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.548 -8.002 12.119 1.00 0.00 C ATOM 31 OH TYR A 2 -4.023 -7.948 13.392 1.00 0.00 O ATOM 0 H TYR A 2 -8.235 -9.438 8.842 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.630 -6.645 8.497 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -6.174 -9.220 7.816 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.518 -7.630 7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.486 -9.960 10.190 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.592 -6.265 9.240 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -5.553 -9.858 12.458 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.659 -6.156 11.508 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.486 -7.134 13.490 1.00 0.00 H new ATOM 41 N LEU A 3 -7.387 -6.468 5.913 1.00 0.00 N ATOM 42 CA LEU A 3 -7.618 -6.235 4.498 1.00 0.00 C ATOM 43 C LEU A 3 -6.645 -7.060 3.666 1.00 0.00 C ATOM 44 O LEU A 3 -5.431 -6.967 3.845 1.00 0.00 O ATOM 45 CB LEU A 3 -7.459 -4.749 4.161 1.00 0.00 C ATOM 46 CG LEU A 3 -8.401 -3.801 4.909 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.146 -2.361 4.498 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.850 -4.174 4.649 1.00 0.00 C ATOM 0 H LEU A 3 -6.763 -5.793 6.356 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.638 -6.538 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.431 -4.454 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.614 -4.618 3.090 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.204 -3.897 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.825 -1.702 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.116 -2.093 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.314 -2.253 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.504 -3.489 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.057 -4.107 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.030 -5.193 4.991 1.00 0.00 H new ATOM 60 N ARG A 4 -7.182 -7.874 2.767 1.00 0.00 N ATOM 61 CA ARG A 4 -6.347 -8.675 1.880 1.00 0.00 C ATOM 62 C ARG A 4 -5.662 -7.776 0.861 1.00 0.00 C ATOM 63 O ARG A 4 -6.136 -6.672 0.594 1.00 0.00 O ATOM 64 CB ARG A 4 -7.167 -9.731 1.124 1.00 0.00 C ATOM 65 CG ARG A 4 -7.894 -10.734 2.000 1.00 0.00 C ATOM 66 CD ARG A 4 -9.326 -10.299 2.280 1.00 0.00 C ATOM 67 NE ARG A 4 -10.195 -11.439 2.555 1.00 0.00 N ATOM 68 CZ ARG A 4 -11.365 -11.643 1.951 1.00 0.00 C ATOM 69 NH1 ARG A 4 -11.831 -10.758 1.074 1.00 0.00 N ATOM 70 NH2 ARG A 4 -12.062 -12.738 2.221 1.00 0.00 N ATOM 0 H ARG A 4 -8.186 -7.997 2.632 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.610 -9.183 2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.900 -9.220 0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.500 -10.274 0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.898 -11.709 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.358 -10.851 2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.339 -9.618 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.712 -9.746 1.424 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.889 -12.119 3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.292 -9.919 0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.727 -10.919 0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.702 -13.420 2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.958 -12.898 1.761 1.00 0.00 H new ATOM 84 N PRO A 5 -4.549 -8.240 0.268 1.00 0.00 N ATOM 85 CA PRO A 5 -3.867 -7.527 -0.818 1.00 0.00 C ATOM 86 C PRO A 5 -4.835 -7.156 -1.938 1.00 0.00 C ATOM 87 O PRO A 5 -4.757 -6.073 -2.516 1.00 0.00 O ATOM 88 CB PRO A 5 -2.826 -8.537 -1.327 1.00 0.00 C ATOM 89 CG PRO A 5 -3.172 -9.838 -0.676 1.00 0.00 C ATOM 90 CD PRO A 5 -3.851 -9.484 0.612 1.00 0.00 C ATOM 0 HA PRO A 5 -3.427 -6.589 -0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.861 -8.621 -2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.816 -8.224 -1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.828 -10.432 -1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.278 -10.435 -0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.543 -10.262 0.934 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.136 -9.338 1.422 1.00 0.00 H new ATOM 98 N ASP A 6 -5.756 -8.071 -2.218 1.00 0.00 N ATOM 99 CA ASP A 6 -6.801 -7.855 -3.214 1.00 0.00 C ATOM 100 C ASP A 6 -7.658 -6.648 -2.852 1.00 0.00 C ATOM 101 O ASP A 6 -7.963 -5.812 -3.700 1.00 0.00 O ATOM 102 CB ASP A 6 -7.680 -9.104 -3.314 1.00 0.00 C ATOM 103 CG ASP A 6 -8.927 -8.883 -4.149 1.00 0.00 C ATOM 104 OD1 ASP A 6 -8.838 -8.957 -5.390 1.00 0.00 O ATOM 105 OD2 ASP A 6 -10.007 -8.654 -3.562 1.00 0.00 O ATOM 0 H ASP A 6 -5.800 -8.982 -1.762 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.327 -7.661 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.098 -9.918 -3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.971 -9.419 -2.312 1.00 0.00 H new ATOM 110 N GLU A 7 -8.014 -6.553 -1.579 1.00 0.00 N ATOM 111 CA GLU A 7 -8.884 -5.491 -1.097 1.00 0.00 C ATOM 112 C GLU A 7 -8.138 -4.158 -1.099 1.00 0.00 C ATOM 113 O GLU A 7 -8.678 -3.128 -1.504 1.00 0.00 O ATOM 114 CB GLU A 7 -9.369 -5.822 0.317 1.00 0.00 C ATOM 115 CG GLU A 7 -10.639 -5.095 0.725 1.00 0.00 C ATOM 116 CD GLU A 7 -11.834 -5.489 -0.122 1.00 0.00 C ATOM 117 OE1 GLU A 7 -11.984 -6.694 -0.421 1.00 0.00 O ATOM 118 OE2 GLU A 7 -12.637 -4.602 -0.474 1.00 0.00 O ATOM 0 H GLU A 7 -7.710 -7.205 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.746 -5.409 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.540 -6.896 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.579 -5.577 1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.855 -5.308 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.480 -4.020 0.644 1.00 0.00 H new ATOM 125 N VAL A 8 -6.885 -4.196 -0.656 1.00 0.00 N ATOM 126 CA VAL A 8 -6.047 -3.002 -0.599 1.00 0.00 C ATOM 127 C VAL A 8 -5.811 -2.427 -1.994 1.00 0.00 C ATOM 128 O VAL A 8 -6.062 -1.245 -2.242 1.00 0.00 O ATOM 129 CB VAL A 8 -4.684 -3.303 0.067 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.801 -2.065 0.086 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.880 -3.836 1.479 1.00 0.00 C ATOM 0 H VAL A 8 -6.425 -5.046 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.581 -2.267 0.004 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.184 -4.069 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.849 -2.304 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.624 -1.729 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.297 -1.273 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.908 -4.041 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.408 -3.094 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.464 -4.755 1.443 1.00 0.00 H new ATOM 141 N ALA A 9 -5.343 -3.273 -2.907 1.00 0.00 N ATOM 142 CA ALA A 9 -5.057 -2.848 -4.272 1.00 0.00 C ATOM 143 C ALA A 9 -6.311 -2.318 -4.958 1.00 0.00 C ATOM 144 O ALA A 9 -6.256 -1.355 -5.720 1.00 0.00 O ATOM 145 CB ALA A 9 -4.464 -4.000 -5.064 1.00 0.00 C ATOM 0 H ALA A 9 -5.154 -4.259 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.331 -2.036 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.254 -3.672 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.539 -4.329 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.173 -4.828 -5.089 1.00 0.00 H new ATOM 151 N ARG A 10 -7.438 -2.959 -4.678 1.00 0.00 N ATOM 152 CA ARG A 10 -8.718 -2.565 -5.248 1.00 0.00 C ATOM 153 C ARG A 10 -9.082 -1.135 -4.842 1.00 0.00 C ATOM 154 O ARG A 10 -9.556 -0.335 -5.657 1.00 0.00 O ATOM 155 CB ARG A 10 -9.799 -3.551 -4.808 1.00 0.00 C ATOM 156 CG ARG A 10 -11.050 -3.518 -5.666 1.00 0.00 C ATOM 157 CD ARG A 10 -11.828 -4.819 -5.559 1.00 0.00 C ATOM 158 NE ARG A 10 -10.990 -5.977 -5.869 1.00 0.00 N ATOM 159 CZ ARG A 10 -10.628 -6.335 -7.102 1.00 0.00 C ATOM 160 NH1 ARG A 10 -11.024 -5.630 -8.157 1.00 0.00 N ATOM 161 NH2 ARG A 10 -9.858 -7.398 -7.279 1.00 0.00 N ATOM 0 H ARG A 10 -7.490 -3.763 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.642 -2.586 -6.335 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.385 -4.559 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.073 -3.337 -3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.684 -2.687 -5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.776 -3.340 -6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.231 -4.920 -4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.678 -4.792 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.661 -6.549 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.611 -4.806 -8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.741 -5.913 -9.095 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.544 -7.940 -6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.579 -7.675 -8.220 1.00 0.00 H new ATOM 175 N VAL A 11 -8.851 -0.812 -3.578 1.00 0.00 N ATOM 176 CA VAL A 11 -9.102 0.532 -3.080 1.00 0.00 C ATOM 177 C VAL A 11 -8.142 1.532 -3.721 1.00 0.00 C ATOM 178 O VAL A 11 -8.514 2.672 -3.992 1.00 0.00 O ATOM 179 CB VAL A 11 -9.003 0.594 -1.538 1.00 0.00 C ATOM 180 CG1 VAL A 11 -9.009 2.031 -1.036 1.00 0.00 C ATOM 181 CG2 VAL A 11 -10.154 -0.177 -0.917 1.00 0.00 C ATOM 0 H VAL A 11 -8.490 -1.462 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.121 0.802 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.057 0.140 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.938 2.037 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.159 2.567 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.934 2.519 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.079 -0.130 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.100 0.262 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.111 -1.217 -1.239 1.00 0.00 H new ATOM 191 N LEU A 12 -6.920 1.091 -3.993 1.00 0.00 N ATOM 192 CA LEU A 12 -5.939 1.933 -4.671 1.00 0.00 C ATOM 193 C LEU A 12 -6.450 2.355 -6.045 1.00 0.00 C ATOM 194 O LEU A 12 -6.249 3.497 -6.464 1.00 0.00 O ATOM 195 CB LEU A 12 -4.599 1.207 -4.804 1.00 0.00 C ATOM 196 CG LEU A 12 -3.891 0.901 -3.483 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.599 0.148 -3.737 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.616 2.183 -2.714 1.00 0.00 C ATOM 0 H LEU A 12 -6.584 0.158 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.788 2.828 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.763 0.270 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.936 1.812 -5.422 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.546 0.272 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.107 -0.062 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.819 -0.790 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.941 0.754 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.112 1.944 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.981 2.837 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.558 2.688 -2.501 1.00 0.00 H new ATOM 210 N GLU A 13 -7.117 1.433 -6.741 1.00 0.00 N ATOM 211 CA GLU A 13 -7.762 1.744 -8.010 1.00 0.00 C ATOM 212 C GLU A 13 -8.709 2.920 -7.822 1.00 0.00 C ATOM 213 O GLU A 13 -8.629 3.929 -8.523 1.00 0.00 O ATOM 214 CB GLU A 13 -8.574 0.551 -8.507 1.00 0.00 C ATOM 215 CG GLU A 13 -7.855 -0.783 -8.453 1.00 0.00 C ATOM 216 CD GLU A 13 -8.783 -1.932 -8.792 1.00 0.00 C ATOM 217 OE1 GLU A 13 -9.863 -2.032 -8.165 1.00 0.00 O ATOM 218 OE2 GLU A 13 -8.447 -2.734 -9.688 1.00 0.00 O ATOM 0 H GLU A 13 -7.223 0.463 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.987 1.986 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.486 0.479 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.878 0.741 -9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.017 -0.774 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.439 -0.933 -7.457 1.00 0.00 H new ATOM 225 N LYS A 14 -9.589 2.765 -6.838 1.00 0.00 N ATOM 226 CA LYS A 14 -10.601 3.767 -6.511 1.00 0.00 C ATOM 227 C LYS A 14 -9.977 5.096 -6.098 1.00 0.00 C ATOM 228 O LYS A 14 -10.502 6.163 -6.412 1.00 0.00 O ATOM 229 CB LYS A 14 -11.487 3.232 -5.388 1.00 0.00 C ATOM 230 CG LYS A 14 -12.433 2.143 -5.852 1.00 0.00 C ATOM 231 CD LYS A 14 -12.302 0.892 -5.003 1.00 0.00 C ATOM 232 CE LYS A 14 -12.938 -0.306 -5.684 1.00 0.00 C ATOM 233 NZ LYS A 14 -12.271 -0.637 -6.975 1.00 0.00 N ATOM 0 H LYS A 14 -9.622 1.938 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.197 3.955 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.856 2.842 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.066 4.054 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.459 2.508 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.226 1.900 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.248 0.688 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.775 1.056 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.889 -1.169 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.994 -0.102 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.529 -1.603 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.578 0.035 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.239 -0.575 -6.859 1.00 0.00 H new ATOM 247 N ALA A 15 -8.862 5.021 -5.392 1.00 0.00 N ATOM 248 CA ALA A 15 -8.158 6.212 -4.923 1.00 0.00 C ATOM 249 C ALA A 15 -7.527 7.007 -6.071 1.00 0.00 C ATOM 250 O ALA A 15 -7.065 8.132 -5.871 1.00 0.00 O ATOM 251 CB ALA A 15 -7.095 5.824 -3.909 1.00 0.00 C ATOM 0 H ALA A 15 -8.418 4.142 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.897 6.859 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.576 6.719 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.566 5.329 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.380 5.145 -4.373 1.00 0.00 H new ATOM 257 N GLY A 16 -7.498 6.425 -7.267 1.00 0.00 N ATOM 258 CA GLY A 16 -6.971 7.135 -8.422 1.00 0.00 C ATOM 259 C GLY A 16 -5.591 6.665 -8.826 1.00 0.00 C ATOM 260 O GLY A 16 -4.943 7.280 -9.673 1.00 0.00 O ATOM 0 H GLY A 16 -7.828 5.479 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.653 7.007 -9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.935 8.202 -8.201 1.00 0.00 H new ATOM 264 N PHE A 17 -5.142 5.570 -8.239 1.00 0.00 N ATOM 265 CA PHE A 17 -3.806 5.056 -8.507 1.00 0.00 C ATOM 266 C PHE A 17 -3.771 4.201 -9.771 1.00 0.00 C ATOM 267 O PHE A 17 -4.809 3.871 -10.346 1.00 0.00 O ATOM 268 CB PHE A 17 -3.304 4.225 -7.331 1.00 0.00 C ATOM 269 CG PHE A 17 -2.888 5.026 -6.127 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.827 5.686 -5.350 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.552 5.108 -5.765 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.443 6.413 -4.241 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.162 5.834 -4.656 1.00 0.00 C ATOM 274 CZ PHE A 17 -2.109 6.489 -3.894 1.00 0.00 C ATOM 0 H PHE A 17 -5.682 5.017 -7.573 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.157 5.920 -8.653 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.089 3.529 -7.034 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.456 3.626 -7.663 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.872 5.631 -5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.807 4.598 -6.357 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.186 6.922 -3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.118 5.889 -4.386 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.807 7.060 -3.028 1.00 0.00 H new ATOM 284 N THR A 18 -2.563 3.848 -10.188 1.00 0.00 N ATOM 285 CA THR A 18 -2.352 2.982 -11.339 1.00 0.00 C ATOM 286 C THR A 18 -1.259 1.962 -11.029 1.00 0.00 C ATOM 287 O THR A 18 -0.572 2.079 -10.012 1.00 0.00 O ATOM 288 CB THR A 18 -1.964 3.799 -12.589 1.00 0.00 C ATOM 289 OG1 THR A 18 -0.979 4.782 -12.244 1.00 0.00 O ATOM 290 CG2 THR A 18 -3.180 4.483 -13.198 1.00 0.00 C ATOM 0 H THR A 18 -1.701 4.154 -9.737 1.00 0.00 H new ATOM 0 HA THR A 18 -3.287 2.463 -11.548 1.00 0.00 H new ATOM 0 HB THR A 18 -1.552 3.112 -13.328 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.701 4.654 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.876 5.051 -14.077 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.913 3.731 -13.488 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.623 5.158 -12.465 1.00 0.00 H new ATOM 298 N VAL A 19 -1.096 0.970 -11.889 1.00 0.00 N ATOM 299 CA VAL A 19 -0.113 -0.080 -11.657 1.00 0.00 C ATOM 300 C VAL A 19 1.280 0.344 -12.141 1.00 0.00 C ATOM 301 O VAL A 19 1.418 1.174 -13.045 1.00 0.00 O ATOM 302 CB VAL A 19 -0.544 -1.407 -12.335 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.489 -1.292 -13.850 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.299 -2.580 -11.847 1.00 0.00 C ATOM 0 H VAL A 19 -1.629 0.868 -12.752 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.060 -0.247 -10.581 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.578 -1.600 -12.049 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.796 -2.237 -14.298 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.160 -0.499 -14.179 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.529 -1.057 -14.160 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.029 -3.494 -12.342 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.348 -2.397 -12.081 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.182 -2.689 -10.769 1.00 0.00 H new ATOM 314 N ASP A 20 2.302 -0.198 -11.496 1.00 0.00 N ATOM 315 CA ASP A 20 3.688 0.075 -11.856 1.00 0.00 C ATOM 316 C ASP A 20 4.376 -1.204 -12.316 1.00 0.00 C ATOM 317 O ASP A 20 4.748 -1.340 -13.483 1.00 0.00 O ATOM 318 CB ASP A 20 4.440 0.668 -10.661 1.00 0.00 C ATOM 319 CG ASP A 20 5.901 0.940 -10.964 1.00 0.00 C ATOM 320 OD1 ASP A 20 6.192 1.916 -11.683 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.766 0.181 -10.483 1.00 0.00 O ATOM 0 H ASP A 20 2.196 -0.839 -10.709 1.00 0.00 H new ATOM 0 HA ASP A 20 3.697 0.796 -12.674 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.957 1.597 -10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.370 -0.018 -9.817 1.00 0.00 H new ATOM 326 N VAL A 21 4.525 -2.146 -11.396 1.00 0.00 N ATOM 327 CA VAL A 21 5.147 -3.425 -11.702 1.00 0.00 C ATOM 328 C VAL A 21 4.330 -4.575 -11.106 1.00 0.00 C ATOM 329 O VAL A 21 4.158 -4.671 -9.892 1.00 0.00 O ATOM 330 CB VAL A 21 6.613 -3.477 -11.197 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.703 -3.130 -9.717 1.00 0.00 C ATOM 332 CG2 VAL A 21 7.231 -4.841 -11.466 1.00 0.00 C ATOM 0 H VAL A 21 4.222 -2.047 -10.427 1.00 0.00 H new ATOM 0 HA VAL A 21 5.166 -3.536 -12.786 1.00 0.00 H new ATOM 0 HB VAL A 21 7.179 -2.728 -11.751 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.743 -3.176 -9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.317 -2.124 -9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.113 -3.842 -9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.259 -4.853 -11.103 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.655 -5.609 -10.950 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.222 -5.039 -12.538 1.00 0.00 H new ATOM 342 N VAL A 22 3.808 -5.434 -11.963 1.00 0.00 N ATOM 343 CA VAL A 22 2.971 -6.534 -11.514 1.00 0.00 C ATOM 344 C VAL A 22 3.748 -7.849 -11.538 1.00 0.00 C ATOM 345 O VAL A 22 4.361 -8.205 -12.543 1.00 0.00 O ATOM 346 CB VAL A 22 1.683 -6.654 -12.368 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.005 -6.825 -13.847 1.00 0.00 C ATOM 348 CG2 VAL A 22 0.808 -7.797 -11.874 1.00 0.00 C ATOM 0 H VAL A 22 3.948 -5.392 -12.972 1.00 0.00 H new ATOM 0 HA VAL A 22 2.674 -6.321 -10.487 1.00 0.00 H new ATOM 0 HB VAL A 22 1.129 -5.722 -12.255 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.078 -6.906 -14.414 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.571 -5.962 -14.198 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.597 -7.729 -13.988 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.089 -7.860 -12.489 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.361 -8.734 -11.941 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.525 -7.616 -10.837 1.00 0.00 H new ATOM 358 N THR A 23 3.750 -8.550 -10.414 1.00 0.00 N ATOM 359 CA THR A 23 4.389 -9.853 -10.335 1.00 0.00 C ATOM 360 C THR A 23 3.466 -10.826 -9.620 1.00 0.00 C ATOM 361 O THR A 23 2.463 -10.420 -9.024 1.00 0.00 O ATOM 362 CB THR A 23 5.745 -9.810 -9.588 1.00 0.00 C ATOM 363 OG1 THR A 23 5.537 -9.554 -8.195 1.00 0.00 O ATOM 364 CG2 THR A 23 6.674 -8.748 -10.167 1.00 0.00 C ATOM 0 H THR A 23 3.316 -8.238 -9.545 1.00 0.00 H new ATOM 0 HA THR A 23 4.584 -10.176 -11.358 1.00 0.00 H new ATOM 0 HB THR A 23 6.218 -10.784 -9.716 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.257 -9.968 -7.675 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.615 -8.748 -9.617 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.868 -8.967 -11.217 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.204 -7.768 -10.082 1.00 0.00 H new ATOM 372 N ASN A 24 3.810 -12.100 -9.660 1.00 0.00 N ATOM 373 CA ASN A 24 3.012 -13.130 -9.008 1.00 0.00 C ATOM 374 C ASN A 24 2.982 -12.934 -7.494 1.00 0.00 C ATOM 375 O ASN A 24 2.143 -13.514 -6.807 1.00 0.00 O ATOM 376 CB ASN A 24 3.549 -14.530 -9.335 1.00 0.00 C ATOM 377 CG ASN A 24 4.939 -14.797 -8.770 1.00 0.00 C ATOM 378 OD1 ASN A 24 5.783 -13.900 -8.678 1.00 0.00 O ATOM 379 ND2 ASN A 24 5.181 -16.037 -8.371 1.00 0.00 N ATOM 0 H ASN A 24 4.640 -12.450 -10.139 1.00 0.00 H new ATOM 0 HA ASN A 24 1.995 -13.041 -9.391 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.857 -15.276 -8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.575 -14.656 -10.417 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.089 -16.276 -7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.459 -16.752 -8.462 1.00 0.00 H new ATOM 386 N LYS A 25 3.881 -12.104 -6.981 1.00 0.00 N ATOM 387 CA LYS A 25 3.994 -11.905 -5.545 1.00 0.00 C ATOM 388 C LYS A 25 3.646 -10.481 -5.128 1.00 0.00 C ATOM 389 O LYS A 25 3.494 -10.208 -3.937 1.00 0.00 O ATOM 390 CB LYS A 25 5.406 -12.248 -5.070 1.00 0.00 C ATOM 391 CG LYS A 25 5.761 -13.712 -5.236 1.00 0.00 C ATOM 392 CD LYS A 25 7.180 -13.995 -4.783 1.00 0.00 C ATOM 393 CE LYS A 25 7.493 -15.479 -4.831 1.00 0.00 C ATOM 394 NZ LYS A 25 6.670 -16.254 -3.865 1.00 0.00 N ATOM 0 H LYS A 25 4.540 -11.560 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 25 3.273 -12.574 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.124 -11.643 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.503 -11.976 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.066 -14.323 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.648 -13.999 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.881 -13.453 -5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.319 -13.625 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.317 -15.854 -5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.550 -15.634 -4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.089 -17.196 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.642 -15.754 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.703 -16.354 -4.235 1.00 0.00 H new ATOM 408 N THR A 26 3.507 -9.565 -6.085 1.00 0.00 N ATOM 409 CA THR A 26 3.261 -8.169 -5.730 1.00 0.00 C ATOM 410 C THR A 26 2.406 -7.444 -6.739 1.00 0.00 C ATOM 411 O THR A 26 2.273 -7.859 -7.891 1.00 0.00 O ATOM 412 CB THR A 26 4.560 -7.345 -5.593 1.00 0.00 C ATOM 413 OG1 THR A 26 5.331 -7.406 -6.801 1.00 0.00 O ATOM 414 CG2 THR A 26 5.395 -7.824 -4.438 1.00 0.00 C ATOM 0 H THR A 26 3.559 -9.756 -7.086 1.00 0.00 H new ATOM 0 HA THR A 26 2.746 -8.238 -4.772 1.00 0.00 H new ATOM 0 HB THR A 26 4.269 -6.311 -5.405 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.508 -8.342 -7.029 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.302 -7.223 -4.370 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.826 -7.728 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.664 -8.869 -4.592 1.00 0.00 H new ATOM 422 N TYR A 27 1.845 -6.339 -6.288 1.00 0.00 N ATOM 423 CA TYR A 27 1.278 -5.369 -7.184 1.00 0.00 C ATOM 424 C TYR A 27 1.929 -4.018 -6.942 1.00 0.00 C ATOM 425 O TYR A 27 1.595 -3.323 -5.981 1.00 0.00 O ATOM 426 CB TYR A 27 -0.238 -5.235 -7.019 1.00 0.00 C ATOM 427 CG TYR A 27 -1.030 -6.474 -7.359 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.147 -6.902 -8.673 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.680 -7.199 -6.368 1.00 0.00 C ATOM 430 CE1 TYR A 27 -1.892 -8.018 -8.994 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.425 -8.319 -6.681 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.528 -8.727 -7.993 1.00 0.00 C ATOM 433 OH TYR A 27 -3.277 -9.840 -8.305 1.00 0.00 O ATOM 0 H TYR A 27 1.773 -6.096 -5.300 1.00 0.00 H new ATOM 0 HA TYR A 27 1.469 -5.714 -8.200 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.453 -4.957 -5.987 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.586 -4.416 -7.649 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.647 -6.353 -9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.602 -6.882 -5.338 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.978 -8.336 -10.023 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.925 -8.873 -5.900 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.907 -10.269 -9.105 1.00 0.00 H new ATOM 443 N GLY A 28 2.892 -3.674 -7.778 1.00 0.00 N ATOM 444 CA GLY A 28 3.474 -2.354 -7.716 1.00 0.00 C ATOM 445 C GLY A 28 2.459 -1.317 -8.125 1.00 0.00 C ATOM 446 O GLY A 28 1.863 -1.423 -9.193 1.00 0.00 O ATOM 0 H GLY A 28 3.281 -4.284 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.825 -2.151 -6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.343 -2.301 -8.372 1.00 0.00 H new ATOM 450 N TYR A 29 2.244 -0.333 -7.281 1.00 0.00 N ATOM 451 CA TYR A 29 1.202 0.646 -7.506 1.00 0.00 C ATOM 452 C TYR A 29 1.749 2.058 -7.357 1.00 0.00 C ATOM 453 O TYR A 29 2.605 2.315 -6.517 1.00 0.00 O ATOM 454 CB TYR A 29 0.046 0.387 -6.540 1.00 0.00 C ATOM 455 CG TYR A 29 -1.160 -0.236 -7.210 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.283 -1.617 -7.321 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.165 0.558 -7.744 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.378 -2.187 -7.947 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.259 -0.005 -8.372 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.361 -1.376 -8.471 1.00 0.00 C ATOM 461 OH TYR A 29 -4.453 -1.936 -9.098 1.00 0.00 O ATOM 0 H TYR A 29 2.781 -0.188 -6.426 1.00 0.00 H new ATOM 0 HA TYR A 29 0.830 0.551 -8.526 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.389 -0.269 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.249 1.328 -6.076 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.513 -2.254 -6.913 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.091 1.633 -7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.461 -3.261 -8.024 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.032 0.627 -8.784 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.643 -2.812 -8.703 1.00 0.00 H new ATOM 471 N ARG A 30 1.266 2.967 -8.189 1.00 0.00 N ATOM 472 CA ARG A 30 1.806 4.319 -8.237 1.00 0.00 C ATOM 473 C ARG A 30 0.749 5.326 -8.670 1.00 0.00 C ATOM 474 O ARG A 30 -0.241 4.970 -9.313 1.00 0.00 O ATOM 475 CB ARG A 30 2.971 4.376 -9.227 1.00 0.00 C ATOM 476 CG ARG A 30 2.581 3.925 -10.626 1.00 0.00 C ATOM 477 CD ARG A 30 3.723 4.075 -11.612 1.00 0.00 C ATOM 478 NE ARG A 30 3.393 3.484 -12.908 1.00 0.00 N ATOM 479 CZ ARG A 30 4.198 3.515 -13.970 1.00 0.00 C ATOM 480 NH1 ARG A 30 5.364 4.145 -13.911 1.00 0.00 N ATOM 481 NH2 ARG A 30 3.829 2.920 -15.097 1.00 0.00 N ATOM 0 H ARG A 30 0.501 2.794 -8.841 1.00 0.00 H new ATOM 0 HA ARG A 30 2.145 4.575 -7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.353 5.396 -9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.783 3.748 -8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.264 2.883 -10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.727 4.508 -10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.957 5.132 -11.742 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.617 3.598 -11.210 1.00 0.00 H new ATOM 0 HE ARG A 30 2.490 3.019 -13.006 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.650 4.610 -13.049 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.975 4.165 -14.728 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.931 2.440 -15.150 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.444 2.943 -15.911 1.00 0.00 H new ATOM 495 N ARG A 31 0.970 6.580 -8.308 1.00 0.00 N ATOM 496 CA ARG A 31 0.174 7.684 -8.817 1.00 0.00 C ATOM 497 C ARG A 31 1.034 8.944 -8.871 1.00 0.00 C ATOM 498 O ARG A 31 0.866 9.868 -8.077 1.00 0.00 O ATOM 499 CB ARG A 31 -1.070 7.923 -7.956 1.00 0.00 C ATOM 500 CG ARG A 31 -2.025 8.941 -8.558 1.00 0.00 C ATOM 501 CD ARG A 31 -3.167 9.282 -7.613 1.00 0.00 C ATOM 502 NE ARG A 31 -2.703 9.801 -6.318 1.00 0.00 N ATOM 503 CZ ARG A 31 -1.947 10.896 -6.150 1.00 0.00 C ATOM 504 NH1 ARG A 31 -1.546 11.624 -7.187 1.00 0.00 N ATOM 505 NH2 ARG A 31 -1.590 11.271 -4.930 1.00 0.00 N ATOM 0 H ARG A 31 1.703 6.860 -7.656 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.168 7.430 -9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.596 6.978 -7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.761 8.264 -6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.477 9.850 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.431 8.549 -9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.813 10.022 -8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.772 8.391 -7.446 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.978 9.287 -5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.813 11.354 -8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.971 12.453 -7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.890 10.727 -4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.015 12.103 -4.800 1.00 0.00 H new ATOM 519 N GLY A 32 1.963 8.967 -9.812 1.00 0.00 N ATOM 520 CA GLY A 32 2.906 10.063 -9.907 1.00 0.00 C ATOM 521 C GLY A 32 4.221 9.743 -9.227 1.00 0.00 C ATOM 522 O GLY A 32 4.845 8.723 -9.521 1.00 0.00 O ATOM 0 H GLY A 32 2.082 8.241 -10.518 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.088 10.294 -10.957 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.472 10.955 -9.455 1.00 0.00 H new ATOM 526 N GLU A 33 4.631 10.597 -8.299 1.00 0.00 N ATOM 527 CA GLU A 33 5.902 10.421 -7.607 1.00 0.00 C ATOM 528 C GLU A 33 5.745 9.553 -6.365 1.00 0.00 C ATOM 529 O GLU A 33 6.726 9.232 -5.691 1.00 0.00 O ATOM 530 CB GLU A 33 6.500 11.775 -7.228 1.00 0.00 C ATOM 531 CG GLU A 33 6.907 12.614 -8.429 1.00 0.00 C ATOM 532 CD GLU A 33 7.816 11.858 -9.377 1.00 0.00 C ATOM 533 OE1 GLU A 33 8.936 11.485 -8.967 1.00 0.00 O ATOM 534 OE2 GLU A 33 7.412 11.623 -10.531 1.00 0.00 O ATOM 0 H GLU A 33 4.102 11.419 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 33 6.581 9.913 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.774 12.331 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.372 11.614 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.014 12.935 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.414 13.516 -8.085 1.00 0.00 H new ATOM 541 N ASN A 34 4.514 9.171 -6.064 1.00 0.00 N ATOM 542 CA ASN A 34 4.253 8.278 -4.944 1.00 0.00 C ATOM 543 C ASN A 34 4.127 6.841 -5.435 1.00 0.00 C ATOM 544 O ASN A 34 3.408 6.560 -6.398 1.00 0.00 O ATOM 545 CB ASN A 34 3.001 8.707 -4.164 1.00 0.00 C ATOM 546 CG ASN A 34 1.795 8.938 -5.051 1.00 0.00 C ATOM 547 OD1 ASN A 34 1.057 8.011 -5.375 1.00 0.00 O ATOM 548 ND2 ASN A 34 1.574 10.186 -5.430 1.00 0.00 N ATOM 0 H ASN A 34 3.682 9.463 -6.577 1.00 0.00 H new ATOM 0 HA ASN A 34 5.098 8.337 -4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.760 7.941 -3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.220 9.622 -3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.766 10.407 -6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.211 10.928 -5.139 1.00 0.00 H new ATOM 555 N TYR A 35 4.850 5.939 -4.780 1.00 0.00 N ATOM 556 CA TYR A 35 4.882 4.536 -5.174 1.00 0.00 C ATOM 557 C TYR A 35 4.638 3.645 -3.961 1.00 0.00 C ATOM 558 O TYR A 35 5.184 3.901 -2.887 1.00 0.00 O ATOM 559 CB TYR A 35 6.238 4.174 -5.795 1.00 0.00 C ATOM 560 CG TYR A 35 6.621 5.009 -7.000 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.266 4.617 -8.282 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.341 6.187 -6.850 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.618 5.374 -9.384 1.00 0.00 C ATOM 564 CE2 TYR A 35 7.697 6.950 -7.945 1.00 0.00 C ATOM 565 CZ TYR A 35 7.333 6.543 -9.208 1.00 0.00 C ATOM 566 OH TYR A 35 7.693 7.301 -10.299 1.00 0.00 O ATOM 0 H TYR A 35 5.426 6.158 -3.967 1.00 0.00 H new ATOM 0 HA TYR A 35 4.097 4.377 -5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.012 4.281 -5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.221 3.124 -6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.705 3.705 -8.422 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.627 6.512 -5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.336 5.054 -10.376 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.259 7.862 -7.810 1.00 0.00 H new ATOM 0 HH TYR A 35 8.190 8.090 -9.999 1.00 0.00 H new ATOM 576 N VAL A 36 3.816 2.619 -4.136 1.00 0.00 N ATOM 577 CA VAL A 36 3.551 1.644 -3.086 1.00 0.00 C ATOM 578 C VAL A 36 3.569 0.232 -3.667 1.00 0.00 C ATOM 579 O VAL A 36 3.389 0.045 -4.870 1.00 0.00 O ATOM 580 CB VAL A 36 2.191 1.893 -2.381 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.136 3.289 -1.777 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.026 1.683 -3.337 1.00 0.00 C ATOM 0 H VAL A 36 3.316 2.439 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 36 4.338 1.754 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 36 2.103 1.165 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.172 3.437 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.935 3.400 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.262 4.032 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.088 1.865 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.114 2.375 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.041 0.659 -3.709 1.00 0.00 H new ATOM 592 N TYR A 37 3.796 -0.758 -2.821 1.00 0.00 N ATOM 593 CA TYR A 37 3.812 -2.144 -3.261 1.00 0.00 C ATOM 594 C TYR A 37 2.806 -2.966 -2.470 1.00 0.00 C ATOM 595 O TYR A 37 2.915 -3.099 -1.251 1.00 0.00 O ATOM 596 CB TYR A 37 5.206 -2.748 -3.097 1.00 0.00 C ATOM 597 CG TYR A 37 6.260 -2.111 -3.965 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.486 -2.559 -5.260 1.00 0.00 C ATOM 599 CD2 TYR A 37 7.037 -1.067 -3.487 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.460 -1.985 -6.051 1.00 0.00 C ATOM 601 CE2 TYR A 37 8.009 -0.487 -4.273 1.00 0.00 C ATOM 602 CZ TYR A 37 8.217 -0.948 -5.553 1.00 0.00 C ATOM 603 OH TYR A 37 9.192 -0.377 -6.334 1.00 0.00 O ATOM 0 H TYR A 37 3.972 -0.629 -1.825 1.00 0.00 H new ATOM 0 HA TYR A 37 3.540 -2.164 -4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.508 -2.659 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.158 -3.813 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.890 -3.369 -5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.878 -0.703 -2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.628 -2.347 -7.055 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.605 0.326 -3.886 1.00 0.00 H new ATOM 0 HH TYR A 37 9.086 0.597 -6.329 1.00 0.00 H new ATOM 613 N VAL A 38 1.820 -3.506 -3.162 1.00 0.00 N ATOM 614 CA VAL A 38 0.847 -4.369 -2.524 1.00 0.00 C ATOM 615 C VAL A 38 1.401 -5.783 -2.420 1.00 0.00 C ATOM 616 O VAL A 38 1.720 -6.413 -3.433 1.00 0.00 O ATOM 617 CB VAL A 38 -0.488 -4.398 -3.297 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.531 -5.206 -2.541 1.00 0.00 C ATOM 619 CG2 VAL A 38 -0.985 -2.985 -3.563 1.00 0.00 C ATOM 0 H VAL A 38 1.673 -3.363 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 38 0.653 -3.968 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.316 -4.884 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.464 -5.213 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.177 -6.229 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.701 -4.756 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.927 -3.028 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.138 -2.469 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.246 -2.445 -4.156 1.00 0.00 H new ATOM 629 N ASN A 39 1.529 -6.269 -1.198 1.00 0.00 N ATOM 630 CA ASN A 39 2.046 -7.604 -0.956 1.00 0.00 C ATOM 631 C ASN A 39 0.985 -8.636 -1.300 1.00 0.00 C ATOM 632 O ASN A 39 0.056 -8.857 -0.534 1.00 0.00 O ATOM 633 CB ASN A 39 2.475 -7.750 0.508 1.00 0.00 C ATOM 634 CG ASN A 39 3.102 -9.101 0.831 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.766 -9.709 -0.141 1.00 0.00 O flip ATOM 636 ND2 ASN A 39 3.009 -9.584 1.959 1.00 0.00 N flip ATOM 0 H ASN A 39 1.280 -5.755 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 39 2.918 -7.767 -1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.188 -6.962 0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.606 -7.600 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.490 -9.089 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.451 -10.479 2.169 1.00 0.00 H new ATOM 643 N ARG A 40 1.118 -9.248 -2.462 1.00 0.00 N ATOM 644 CA ARG A 40 0.151 -10.235 -2.920 1.00 0.00 C ATOM 645 C ARG A 40 0.256 -11.501 -2.073 1.00 0.00 C ATOM 646 O ARG A 40 -0.692 -12.276 -1.965 1.00 0.00 O ATOM 647 CB ARG A 40 0.399 -10.546 -4.392 1.00 0.00 C ATOM 648 CG ARG A 40 -0.731 -11.286 -5.079 1.00 0.00 C ATOM 649 CD ARG A 40 -0.387 -11.545 -6.535 1.00 0.00 C ATOM 650 NE ARG A 40 -1.510 -12.102 -7.286 1.00 0.00 N ATOM 651 CZ ARG A 40 -1.422 -13.167 -8.081 1.00 0.00 C ATOM 652 NH1 ARG A 40 -0.300 -13.866 -8.143 1.00 0.00 N ATOM 653 NH2 ARG A 40 -2.472 -13.554 -8.792 1.00 0.00 N ATOM 0 H ARG A 40 1.888 -9.080 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.857 -9.835 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.579 -9.611 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.309 -11.140 -4.476 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.918 -12.231 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.649 -10.702 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.070 -10.612 -7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.458 -12.232 -6.589 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.418 -11.647 -7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.504 -13.590 -7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.240 -14.681 -8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.348 -13.036 -8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.403 -14.370 -9.400 1.00 0.00 H new ATOM 667 N GLU A 41 1.416 -11.675 -1.453 1.00 0.00 N ATOM 668 CA GLU A 41 1.669 -12.803 -0.568 1.00 0.00 C ATOM 669 C GLU A 41 1.184 -12.504 0.850 1.00 0.00 C ATOM 670 O GLU A 41 1.402 -13.297 1.768 1.00 0.00 O ATOM 671 CB GLU A 41 3.167 -13.113 -0.541 1.00 0.00 C ATOM 672 CG GLU A 41 3.716 -13.628 -1.862 1.00 0.00 C ATOM 673 CD GLU A 41 3.214 -15.016 -2.195 1.00 0.00 C ATOM 674 OE1 GLU A 41 3.501 -15.952 -1.425 1.00 0.00 O ATOM 675 OE2 GLU A 41 2.534 -15.185 -3.226 1.00 0.00 O ATOM 0 H GLU A 41 2.207 -11.038 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 41 1.121 -13.665 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.709 -12.210 -0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.360 -13.854 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.435 -12.942 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.805 -13.639 -1.820 1.00 0.00 H new ATOM 682 N ALA A 42 0.522 -11.363 1.032 1.00 0.00 N ATOM 683 CA ALA A 42 0.071 -10.949 2.354 1.00 0.00 C ATOM 684 C ALA A 42 -1.201 -11.673 2.762 1.00 0.00 C ATOM 685 O ALA A 42 -2.270 -11.074 2.870 1.00 0.00 O ATOM 686 CB ALA A 42 -0.144 -9.449 2.413 1.00 0.00 C ATOM 0 H ALA A 42 0.288 -10.713 0.282 1.00 0.00 H new ATOM 0 HA ALA A 42 0.858 -11.217 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.480 -9.169 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.792 -8.938 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.899 -9.161 1.681 1.00 0.00 H new ATOM 692 N ARG A 43 -1.076 -12.964 2.992 1.00 0.00 N ATOM 693 CA ARG A 43 -2.193 -13.768 3.456 1.00 0.00 C ATOM 694 C ARG A 43 -2.339 -13.618 4.962 1.00 0.00 C ATOM 695 O ARG A 43 -3.245 -14.177 5.576 1.00 0.00 O ATOM 696 CB ARG A 43 -1.981 -15.226 3.046 1.00 0.00 C ATOM 697 CG ARG A 43 -1.895 -15.385 1.537 1.00 0.00 C ATOM 698 CD ARG A 43 -1.319 -16.724 1.117 1.00 0.00 C ATOM 699 NE ARG A 43 -1.032 -16.737 -0.314 1.00 0.00 N ATOM 700 CZ ARG A 43 0.172 -16.493 -0.835 1.00 0.00 C ATOM 701 NH1 ARG A 43 1.232 -16.333 -0.047 1.00 0.00 N ATOM 702 NH2 ARG A 43 0.321 -16.422 -2.150 1.00 0.00 N ATOM 0 H ARG A 43 -0.207 -13.483 2.865 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.120 -13.424 2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.066 -15.602 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.801 -15.833 3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.890 -15.272 1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.279 -14.585 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.406 -16.925 1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.023 -17.520 1.359 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.798 -16.945 -0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.129 -16.397 0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.148 -16.147 -0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.484 -16.554 -2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.241 -16.236 -2.550 1.00 0.00 H new ATOM 716 N MET A 44 -1.431 -12.839 5.544 1.00 0.00 N ATOM 717 CA MET A 44 -1.495 -12.491 6.955 1.00 0.00 C ATOM 718 C MET A 44 -2.319 -11.222 7.138 1.00 0.00 C ATOM 719 O MET A 44 -2.862 -10.971 8.210 1.00 0.00 O ATOM 720 CB MET A 44 -0.092 -12.264 7.526 1.00 0.00 C ATOM 721 CG MET A 44 0.854 -13.439 7.352 1.00 0.00 C ATOM 722 SD MET A 44 2.484 -13.111 8.050 1.00 0.00 S ATOM 723 CE MET A 44 3.371 -14.581 7.541 1.00 0.00 C ATOM 0 H MET A 44 -0.635 -12.434 5.051 1.00 0.00 H new ATOM 0 HA MET A 44 -1.963 -13.319 7.488 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.345 -11.388 7.047 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.178 -12.037 8.589 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.427 -14.321 7.830 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.954 -13.668 6.291 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.399 -14.528 7.899 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.886 -15.462 7.961 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.368 -14.649 6.453 1.00 0.00 H new ATOM 733 N GLY A 45 -2.381 -10.411 6.084 1.00 0.00 N ATOM 734 CA GLY A 45 -3.135 -9.169 6.132 1.00 0.00 C ATOM 735 C GLY A 45 -2.346 -8.022 6.746 1.00 0.00 C ATOM 736 O GLY A 45 -2.543 -6.863 6.391 1.00 0.00 O ATOM 0 H GLY A 45 -1.920 -10.594 5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.439 -8.895 5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.047 -9.325 6.708 1.00 0.00 H new ATOM 740 N ARG A 46 -1.438 -8.352 7.660 1.00 0.00 N ATOM 741 CA ARG A 46 -0.666 -7.349 8.383 1.00 0.00 C ATOM 742 C ARG A 46 0.352 -6.655 7.489 1.00 0.00 C ATOM 743 O ARG A 46 0.803 -5.556 7.794 1.00 0.00 O ATOM 744 CB ARG A 46 0.079 -8.000 9.544 1.00 0.00 C ATOM 745 CG ARG A 46 -0.816 -8.658 10.571 1.00 0.00 C ATOM 746 CD ARG A 46 -0.026 -9.048 11.809 1.00 0.00 C ATOM 747 NE ARG A 46 0.500 -7.873 12.501 1.00 0.00 N ATOM 748 CZ ARG A 46 1.651 -7.840 13.171 1.00 0.00 C ATOM 749 NH1 ARG A 46 2.437 -8.910 13.225 1.00 0.00 N ATOM 750 NH2 ARG A 46 2.023 -6.721 13.778 1.00 0.00 N ATOM 0 H ARG A 46 -1.219 -9.314 7.918 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.375 -6.605 8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.765 -8.747 9.146 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.686 -7.243 10.041 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.620 -7.977 10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.283 -9.543 10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.665 -9.615 12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.797 -9.703 11.525 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.054 -7.017 12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.162 -9.770 12.750 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.316 -8.872 13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.429 -5.893 13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.903 -6.688 14.293 1.00 0.00 H new ATOM 764 N THR A 47 0.724 -7.303 6.402 1.00 0.00 N ATOM 765 CA THR A 47 1.814 -6.819 5.573 1.00 0.00 C ATOM 766 C THR A 47 1.345 -6.521 4.156 1.00 0.00 C ATOM 767 O THR A 47 2.149 -6.451 3.233 1.00 0.00 O ATOM 768 CB THR A 47 2.944 -7.866 5.535 1.00 0.00 C ATOM 769 OG1 THR A 47 2.451 -9.098 4.987 1.00 0.00 O ATOM 770 CG2 THR A 47 3.489 -8.121 6.935 1.00 0.00 C ATOM 0 H THR A 47 0.289 -8.165 6.072 1.00 0.00 H new ATOM 0 HA THR A 47 2.183 -5.891 6.010 1.00 0.00 H new ATOM 0 HB THR A 47 3.747 -7.479 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.175 -9.759 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.286 -8.863 6.886 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.883 -7.192 7.347 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.688 -8.490 7.575 1.00 0.00 H new ATOM 778 N ALA A 48 0.045 -6.311 3.999 1.00 0.00 N ATOM 779 CA ALA A 48 -0.553 -6.165 2.675 1.00 0.00 C ATOM 780 C ALA A 48 -0.180 -4.846 2.010 1.00 0.00 C ATOM 781 O ALA A 48 -0.058 -4.774 0.786 1.00 0.00 O ATOM 782 CB ALA A 48 -2.062 -6.292 2.761 1.00 0.00 C ATOM 0 H ALA A 48 -0.617 -6.238 4.771 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.153 -6.967 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.494 -6.181 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.322 -7.271 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.456 -5.515 3.416 1.00 0.00 H new ATOM 788 N LEU A 49 0.019 -3.813 2.810 1.00 0.00 N ATOM 789 CA LEU A 49 0.270 -2.488 2.270 1.00 0.00 C ATOM 790 C LEU A 49 1.697 -2.061 2.553 1.00 0.00 C ATOM 791 O LEU A 49 1.997 -1.472 3.590 1.00 0.00 O ATOM 792 CB LEU A 49 -0.707 -1.458 2.841 1.00 0.00 C ATOM 793 CG LEU A 49 -0.527 -0.034 2.304 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.821 0.024 0.812 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.412 0.939 3.062 1.00 0.00 C ATOM 0 H LEU A 49 0.012 -3.865 3.829 1.00 0.00 H new ATOM 0 HA LEU A 49 0.120 -2.537 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.724 -1.786 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.600 -1.438 3.926 1.00 0.00 H new ATOM 0 HG LEU A 49 0.512 0.257 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.686 1.045 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.139 -0.640 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.849 -0.291 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.270 1.945 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.456 0.648 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.147 0.925 4.119 1.00 0.00 H new ATOM 807 N ILE A 50 2.584 -2.382 1.643 1.00 0.00 N ATOM 808 CA ILE A 50 3.967 -1.998 1.779 1.00 0.00 C ATOM 809 C ILE A 50 4.229 -0.767 0.931 1.00 0.00 C ATOM 810 O ILE A 50 4.587 -0.863 -0.237 1.00 0.00 O ATOM 811 CB ILE A 50 4.902 -3.157 1.387 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.566 -4.381 2.242 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.357 -2.753 1.566 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.296 -5.641 1.846 1.00 0.00 C ATOM 0 H ILE A 50 2.371 -2.910 0.797 1.00 0.00 H new ATOM 0 HA ILE A 50 4.173 -1.759 2.822 1.00 0.00 H new ATOM 0 HB ILE A 50 4.755 -3.404 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.796 -4.155 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.493 -4.565 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.003 -3.585 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.576 -1.893 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.536 -2.492 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.997 -6.457 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.048 -5.897 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.371 -5.481 1.931 1.00 0.00 H new ATOM 826 N ILE A 51 3.995 0.392 1.531 1.00 0.00 N ATOM 827 CA ILE A 51 4.048 1.657 0.815 1.00 0.00 C ATOM 828 C ILE A 51 5.444 1.956 0.255 1.00 0.00 C ATOM 829 O ILE A 51 5.733 1.650 -0.899 1.00 0.00 O ATOM 830 CB ILE A 51 3.562 2.832 1.708 1.00 0.00 C ATOM 831 CG1 ILE A 51 4.250 2.816 3.081 1.00 0.00 C ATOM 832 CG2 ILE A 51 2.050 2.767 1.883 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.065 4.097 3.866 1.00 0.00 C ATOM 0 H ILE A 51 3.765 0.481 2.521 1.00 0.00 H new ATOM 0 HA ILE A 51 3.370 1.559 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 51 3.829 3.763 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.859 1.982 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.316 2.636 2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.720 3.595 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.568 2.836 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.779 1.823 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.578 4.014 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.482 4.932 3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.002 4.269 4.037 1.00 0.00 H new ATOM 845 N HIS A 52 6.307 2.521 1.084 1.00 0.00 N ATOM 846 CA HIS A 52 7.612 2.988 0.651 1.00 0.00 C ATOM 847 C HIS A 52 8.356 3.545 1.857 1.00 0.00 C ATOM 848 O HIS A 52 7.733 4.100 2.763 1.00 0.00 O ATOM 849 CB HIS A 52 7.436 4.084 -0.418 1.00 0.00 C ATOM 850 CG HIS A 52 8.710 4.605 -1.015 1.00 0.00 C ATOM 851 ND1 HIS A 52 9.494 5.557 -0.403 1.00 0.00 N ATOM 852 CD2 HIS A 52 9.327 4.312 -2.182 1.00 0.00 C ATOM 853 CE1 HIS A 52 10.539 5.825 -1.158 1.00 0.00 C ATOM 854 NE2 HIS A 52 10.463 5.083 -2.250 1.00 0.00 N ATOM 0 H HIS A 52 6.121 2.668 2.076 1.00 0.00 H new ATOM 0 HA HIS A 52 8.183 2.166 0.219 1.00 0.00 H new ATOM 0 HB2 HIS A 52 6.812 3.690 -1.220 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.894 4.919 0.026 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.295 5.989 0.499 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.990 3.603 -2.924 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.324 6.530 -0.925 1.00 0.00 H new ATOM 863 N PRO A 53 9.686 3.364 1.914 1.00 0.00 N ATOM 864 CA PRO A 53 10.536 4.051 2.896 1.00 0.00 C ATOM 865 C PRO A 53 10.418 5.578 2.782 1.00 0.00 C ATOM 866 O PRO A 53 9.485 6.085 2.152 1.00 0.00 O ATOM 867 CB PRO A 53 11.956 3.584 2.545 1.00 0.00 C ATOM 868 CG PRO A 53 11.858 2.950 1.197 1.00 0.00 C ATOM 869 CD PRO A 53 10.456 2.438 1.073 1.00 0.00 C ATOM 0 HA PRO A 53 10.251 3.816 3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.651 4.424 2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.327 2.874 3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.079 3.672 0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.579 2.138 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.112 2.452 0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.370 1.409 1.423 1.00 0.00 H new ATOM 877 N ARG A 54 11.357 6.311 3.384 1.00 0.00 N ATOM 878 CA ARG A 54 11.326 7.785 3.399 1.00 0.00 C ATOM 879 C ARG A 54 10.215 8.304 4.320 1.00 0.00 C ATOM 880 O ARG A 54 10.460 9.111 5.212 1.00 0.00 O ATOM 881 CB ARG A 54 11.121 8.352 1.985 1.00 0.00 C ATOM 882 CG ARG A 54 11.149 9.874 1.903 1.00 0.00 C ATOM 883 CD ARG A 54 10.467 10.365 0.633 1.00 0.00 C ATOM 884 NE ARG A 54 10.799 11.754 0.317 1.00 0.00 N ATOM 885 CZ ARG A 54 10.245 12.448 -0.682 1.00 0.00 C ATOM 886 NH1 ARG A 54 9.263 11.916 -1.403 1.00 0.00 N ATOM 887 NH2 ARG A 54 10.663 13.679 -0.948 1.00 0.00 N ATOM 0 H ARG A 54 12.157 5.909 3.873 1.00 0.00 H new ATOM 0 HA ARG A 54 12.290 8.122 3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.896 7.951 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.165 7.998 1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.651 10.298 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.181 10.224 1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.758 9.727 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.387 10.270 0.745 1.00 0.00 H new ATOM 0 HE ARG A 54 11.497 12.222 0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.930 10.975 -1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.843 12.449 -2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.408 14.096 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.240 14.208 -1.711 1.00 0.00 H new ATOM 901 N LEU A 55 9.002 7.813 4.100 1.00 0.00 N ATOM 902 CA LEU A 55 7.814 8.306 4.783 1.00 0.00 C ATOM 903 C LEU A 55 7.486 7.511 6.038 1.00 0.00 C ATOM 904 O LEU A 55 6.379 7.625 6.552 1.00 0.00 O ATOM 905 CB LEU A 55 6.614 8.241 3.835 1.00 0.00 C ATOM 906 CG LEU A 55 6.518 9.375 2.824 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.398 9.111 1.828 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.283 10.683 3.551 1.00 0.00 C ATOM 0 H LEU A 55 8.814 7.058 3.440 1.00 0.00 H new ATOM 0 HA LEU A 55 8.023 9.333 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.652 7.296 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.702 8.230 4.431 1.00 0.00 H new ATOM 0 HG LEU A 55 7.455 9.437 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.345 9.933 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.596 8.180 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.450 9.031 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.214 11.495 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.354 10.623 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.112 10.874 4.233 1.00 0.00 H new ATOM 920 N LYS A 56 8.438 6.730 6.541 1.00 0.00 N ATOM 921 CA LYS A 56 8.178 5.843 7.679 1.00 0.00 C ATOM 922 C LYS A 56 7.545 6.593 8.852 1.00 0.00 C ATOM 923 O LYS A 56 6.485 6.205 9.336 1.00 0.00 O ATOM 924 CB LYS A 56 9.457 5.146 8.157 1.00 0.00 C ATOM 925 CG LYS A 56 9.186 4.124 9.253 1.00 0.00 C ATOM 926 CD LYS A 56 10.464 3.530 9.821 1.00 0.00 C ATOM 927 CE LYS A 56 10.151 2.563 10.953 1.00 0.00 C ATOM 928 NZ LYS A 56 11.372 2.112 11.667 1.00 0.00 N ATOM 0 H LYS A 56 9.392 6.691 6.183 1.00 0.00 H new ATOM 0 HA LYS A 56 7.475 5.090 7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.935 4.650 7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.159 5.894 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.621 4.598 10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.563 3.324 8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.011 3.011 9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.111 4.328 10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.476 3.044 11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.627 1.696 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.106 1.455 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.006 1.629 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.860 2.935 12.074 1.00 0.00 H new ATOM 942 N ASP A 57 8.189 7.667 9.297 1.00 0.00 N ATOM 943 CA ASP A 57 7.716 8.415 10.463 1.00 0.00 C ATOM 944 C ASP A 57 6.356 9.057 10.203 1.00 0.00 C ATOM 945 O ASP A 57 5.434 8.906 11.004 1.00 0.00 O ATOM 946 CB ASP A 57 8.732 9.481 10.877 1.00 0.00 C ATOM 947 CG ASP A 57 9.988 8.881 11.477 1.00 0.00 C ATOM 948 OD1 ASP A 57 9.962 8.510 12.669 1.00 0.00 O ATOM 949 OD2 ASP A 57 11.005 8.767 10.760 1.00 0.00 O ATOM 0 H ASP A 57 9.037 8.040 8.871 1.00 0.00 H new ATOM 0 HA ASP A 57 7.603 7.703 11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.999 10.081 10.007 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.273 10.155 11.601 1.00 0.00 H new ATOM 954 N ARG A 58 6.238 9.769 9.085 1.00 0.00 N ATOM 955 CA ARG A 58 4.974 10.393 8.689 1.00 0.00 C ATOM 956 C ARG A 58 3.859 9.350 8.620 1.00 0.00 C ATOM 957 O ARG A 58 2.768 9.548 9.154 1.00 0.00 O ATOM 958 CB ARG A 58 5.139 11.083 7.327 1.00 0.00 C ATOM 959 CG ARG A 58 3.835 11.542 6.684 1.00 0.00 C ATOM 960 CD ARG A 58 3.185 12.694 7.435 1.00 0.00 C ATOM 961 NE ARG A 58 1.940 13.121 6.789 1.00 0.00 N ATOM 962 CZ ARG A 58 1.665 14.380 6.445 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.515 15.358 6.739 1.00 0.00 N ATOM 964 NH2 ARG A 58 0.534 14.664 5.808 1.00 0.00 N ATOM 0 H ARG A 58 7.006 9.930 8.433 1.00 0.00 H new ATOM 0 HA ARG A 58 4.701 11.138 9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.792 11.947 7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.643 10.397 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.029 11.847 5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.140 10.703 6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.978 12.390 8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.877 13.534 7.485 1.00 0.00 H new ATOM 0 HE ARG A 58 1.238 12.408 6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.384 15.148 7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.299 16.319 6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.125 13.919 5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.325 15.627 5.545 1.00 0.00 H new ATOM 978 N SER A 59 4.157 8.246 7.953 1.00 0.00 N ATOM 979 CA SER A 59 3.228 7.136 7.809 1.00 0.00 C ATOM 980 C SER A 59 2.847 6.543 9.172 1.00 0.00 C ATOM 981 O SER A 59 1.667 6.327 9.455 1.00 0.00 O ATOM 982 CB SER A 59 3.856 6.074 6.899 1.00 0.00 C ATOM 983 OG SER A 59 3.203 4.823 7.009 1.00 0.00 O ATOM 0 H SER A 59 5.055 8.094 7.494 1.00 0.00 H new ATOM 0 HA SER A 59 2.306 7.500 7.355 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.815 6.414 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.909 5.956 7.154 1.00 0.00 H new ATOM 0 HG SER A 59 2.242 4.966 7.138 1.00 0.00 H new ATOM 989 N SER A 60 3.853 6.294 10.009 1.00 0.00 N ATOM 990 CA SER A 60 3.651 5.675 11.317 1.00 0.00 C ATOM 991 C SER A 60 2.737 6.527 12.203 1.00 0.00 C ATOM 992 O SER A 60 1.980 6.000 13.023 1.00 0.00 O ATOM 993 CB SER A 60 5.005 5.461 12.003 1.00 0.00 C ATOM 994 OG SER A 60 4.900 4.570 13.099 1.00 0.00 O ATOM 0 H SER A 60 4.827 6.515 9.800 1.00 0.00 H new ATOM 0 HA SER A 60 3.164 4.712 11.167 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.721 5.068 11.281 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.394 6.419 12.348 1.00 0.00 H new ATOM 0 HG SER A 60 5.781 4.455 13.512 1.00 0.00 H new ATOM 1000 N SER A 61 2.801 7.844 12.024 1.00 0.00 N ATOM 1001 CA SER A 61 1.978 8.768 12.798 1.00 0.00 C ATOM 1002 C SER A 61 0.498 8.612 12.448 1.00 0.00 C ATOM 1003 O SER A 61 -0.378 9.019 13.208 1.00 0.00 O ATOM 1004 CB SER A 61 2.432 10.209 12.552 1.00 0.00 C ATOM 1005 OG SER A 61 3.798 10.377 12.897 1.00 0.00 O ATOM 0 H SER A 61 3.416 8.296 11.348 1.00 0.00 H new ATOM 0 HA SER A 61 2.102 8.531 13.855 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.284 10.467 11.503 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.818 10.893 13.138 1.00 0.00 H new ATOM 0 HG SER A 61 4.359 9.882 12.264 1.00 0.00 H new ATOM 1011 N LEU A 62 0.224 8.020 11.295 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.144 7.768 10.880 1.00 0.00 C ATOM 1013 C LEU A 62 -1.529 6.325 11.186 1.00 0.00 C ATOM 1014 O LEU A 62 -2.612 6.052 11.705 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.313 8.053 9.388 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.011 9.487 8.959 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -1.089 9.611 7.447 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -1.985 10.449 9.622 1.00 0.00 C ATOM 0 H LEU A 62 0.932 7.706 10.632 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.803 8.435 11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.662 7.380 8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.338 7.814 9.103 1.00 0.00 H new ATOM 0 HG LEU A 62 0.000 9.743 9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.872 10.638 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.361 8.941 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.091 9.342 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.760 11.468 9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.004 10.196 9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.891 10.373 10.705 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.626 5.407 10.871 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.852 3.990 11.107 1.00 0.00 C ATOM 1032 C ALA A 63 0.472 3.262 11.274 1.00 0.00 C ATOM 1033 O ALA A 63 1.390 3.426 10.467 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.652 3.374 9.971 1.00 0.00 C ATOM 0 H ALA A 63 0.277 5.622 10.448 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.427 3.886 12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.809 2.314 10.169 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.617 3.875 9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.105 3.491 9.036 1.00 0.00 H new ATOM 1040 N ASP A 64 0.559 2.460 12.322 1.00 0.00 N ATOM 1041 CA ASP A 64 1.783 1.741 12.651 1.00 0.00 C ATOM 1042 C ASP A 64 2.041 0.610 11.660 1.00 0.00 C ATOM 1043 O ASP A 64 1.105 -0.005 11.140 1.00 0.00 O ATOM 1044 CB ASP A 64 1.700 1.180 14.075 1.00 0.00 C ATOM 1045 CG ASP A 64 0.534 0.229 14.258 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -0.623 0.702 14.265 1.00 0.00 O ATOM 1047 OD2 ASP A 64 0.763 -0.991 14.411 1.00 0.00 O ATOM 0 H ASP A 64 -0.212 2.288 12.967 1.00 0.00 H new ATOM 0 HA ASP A 64 2.614 2.444 12.589 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.629 0.661 14.312 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.606 2.004 14.782 1.00 0.00 H new ATOM 1052 N PRO A 65 3.324 0.347 11.361 1.00 0.00 N ATOM 1053 CA PRO A 65 3.731 -0.760 10.499 1.00 0.00 C ATOM 1054 C PRO A 65 3.698 -2.096 11.238 1.00 0.00 C ATOM 1055 O PRO A 65 3.723 -2.135 12.467 1.00 0.00 O ATOM 1056 CB PRO A 65 5.176 -0.408 10.100 1.00 0.00 C ATOM 1057 CG PRO A 65 5.463 0.930 10.706 1.00 0.00 C ATOM 1058 CD PRO A 65 4.483 1.114 11.825 1.00 0.00 C ATOM 0 HA PRO A 65 3.063 -0.877 9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.875 -1.159 10.467 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.283 -0.375 9.016 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.487 0.976 11.077 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.357 1.722 9.964 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.870 0.733 12.770 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.238 2.165 11.981 1.00 0.00 H new ATOM 1066 N ALA A 66 3.652 -3.186 10.484 1.00 0.00 N ATOM 1067 CA ALA A 66 3.610 -4.520 11.073 1.00 0.00 C ATOM 1068 C ALA A 66 5.012 -5.012 11.398 1.00 0.00 C ATOM 1069 O ALA A 66 5.194 -5.931 12.195 1.00 0.00 O ATOM 1070 CB ALA A 66 2.920 -5.493 10.131 1.00 0.00 C ATOM 0 H ALA A 66 3.643 -3.174 9.464 1.00 0.00 H new ATOM 0 HA ALA A 66 3.041 -4.464 12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.897 -6.484 10.585 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.901 -5.156 9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.467 -5.538 9.189 1.00 0.00 H new ATOM 1076 N SER A 67 6.000 -4.397 10.767 1.00 0.00 N ATOM 1077 CA SER A 67 7.386 -4.772 10.961 1.00 0.00 C ATOM 1078 C SER A 67 8.282 -3.582 10.649 1.00 0.00 C ATOM 1079 O SER A 67 7.793 -2.466 10.451 1.00 0.00 O ATOM 1080 CB SER A 67 7.744 -5.966 10.064 1.00 0.00 C ATOM 1081 OG SER A 67 9.028 -6.487 10.367 1.00 0.00 O ATOM 0 H SER A 67 5.862 -3.629 10.110 1.00 0.00 H new ATOM 0 HA SER A 67 7.538 -5.068 11.999 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.996 -6.749 10.186 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.714 -5.657 9.019 1.00 0.00 H new ATOM 0 HG SER A 67 9.220 -7.246 9.778 1.00 0.00 H new ATOM 1087 N ASP A 68 9.581 -3.822 10.626 1.00 0.00 N ATOM 1088 CA ASP A 68 10.551 -2.795 10.300 1.00 0.00 C ATOM 1089 C ASP A 68 10.627 -2.625 8.791 1.00 0.00 C ATOM 1090 O ASP A 68 10.034 -1.711 8.220 1.00 0.00 O ATOM 1091 CB ASP A 68 11.931 -3.169 10.851 1.00 0.00 C ATOM 1092 CG ASP A 68 11.988 -3.182 12.365 1.00 0.00 C ATOM 1093 OD1 ASP A 68 12.127 -2.098 12.971 1.00 0.00 O ATOM 1094 OD2 ASP A 68 11.905 -4.285 12.955 1.00 0.00 O ATOM 0 H ASP A 68 9.991 -4.733 10.833 1.00 0.00 H new ATOM 0 HA ASP A 68 10.237 -1.856 10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.210 -4.153 10.475 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.669 -2.462 10.472 1.00 0.00 H new ATOM 1099 N ILE A 69 11.348 -3.530 8.155 1.00 0.00 N ATOM 1100 CA ILE A 69 11.454 -3.564 6.709 1.00 0.00 C ATOM 1101 C ILE A 69 11.369 -5.003 6.235 1.00 0.00 C ATOM 1102 O ILE A 69 11.837 -5.911 6.922 1.00 0.00 O ATOM 1103 CB ILE A 69 12.779 -2.941 6.200 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.989 -3.626 6.850 1.00 0.00 C ATOM 1105 CG2 ILE A 69 12.807 -1.442 6.469 1.00 0.00 C ATOM 1106 CD1 ILE A 69 15.325 -3.117 6.347 1.00 0.00 C ATOM 0 H ILE A 69 11.877 -4.263 8.628 1.00 0.00 H new ATOM 0 HA ILE A 69 10.632 -2.972 6.306 1.00 0.00 H new ATOM 0 HB ILE A 69 12.835 -3.099 5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.939 -3.482 7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.928 -4.699 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.745 -1.024 6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.973 -0.964 5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.723 -1.263 7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 69 16.131 -3.649 6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.397 -3.286 5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.409 -2.050 6.553 1.00 0.00 H new ATOM 1118 N LYS A 70 10.754 -5.220 5.089 1.00 0.00 N ATOM 1119 CA LYS A 70 10.652 -6.558 4.536 1.00 0.00 C ATOM 1120 C LYS A 70 11.535 -6.683 3.306 1.00 0.00 C ATOM 1121 O LYS A 70 11.306 -6.015 2.294 1.00 0.00 O ATOM 1122 CB LYS A 70 9.202 -6.896 4.180 1.00 0.00 C ATOM 1123 CG LYS A 70 8.969 -8.384 3.978 1.00 0.00 C ATOM 1124 CD LYS A 70 7.522 -8.693 3.639 1.00 0.00 C ATOM 1125 CE LYS A 70 7.218 -10.174 3.812 1.00 0.00 C ATOM 1126 NZ LYS A 70 8.147 -11.036 3.034 1.00 0.00 N ATOM 0 H LYS A 70 10.319 -4.491 4.524 1.00 0.00 H new ATOM 0 HA LYS A 70 10.990 -7.266 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.546 -6.536 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.924 -6.364 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.614 -8.746 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.252 -8.921 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.863 -8.107 4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.315 -8.395 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.283 -10.435 4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.193 -10.371 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.793 -12.014 3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.208 -10.687 2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.091 -11.011 3.470 1.00 0.00 H new ATOM 1140 N THR A 71 12.551 -7.523 3.404 1.00 0.00 N ATOM 1141 CA THR A 71 13.477 -7.734 2.308 1.00 0.00 C ATOM 1142 C THR A 71 12.921 -8.757 1.323 1.00 0.00 C ATOM 1143 O THR A 71 12.477 -9.837 1.720 1.00 0.00 O ATOM 1144 CB THR A 71 14.852 -8.195 2.826 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.700 -9.283 3.747 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.586 -7.048 3.507 1.00 0.00 C ATOM 0 H THR A 71 12.755 -8.073 4.238 1.00 0.00 H new ATOM 0 HA THR A 71 13.604 -6.782 1.793 1.00 0.00 H new ATOM 0 HB THR A 71 15.439 -8.529 1.970 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.068 -9.936 3.380 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.555 -7.397 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.733 -6.236 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.996 -6.688 4.350 1.00 0.00 H new ATOM 1154 N CYS A 72 12.949 -8.411 0.041 1.00 0.00 N ATOM 1155 CA CYS A 72 12.361 -9.237 -1.000 1.00 0.00 C ATOM 1156 C CYS A 72 12.549 -8.565 -2.349 1.00 0.00 C ATOM 1157 O CYS A 72 12.189 -7.403 -2.525 1.00 0.00 O ATOM 1158 CB CYS A 72 10.867 -9.472 -0.738 1.00 0.00 C ATOM 1159 SG CYS A 72 10.032 -10.467 -2.002 1.00 0.00 S ATOM 0 H CYS A 72 13.379 -7.552 -0.302 1.00 0.00 H new ATOM 0 HA CYS A 72 12.863 -10.205 -0.999 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.753 -9.964 0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.367 -8.506 -0.665 1.00 0.00 H new ATOM 0 HG CYS A 72 8.779 -10.607 -1.686 1.00 0.00 H new ATOM 1165 N ASP A 73 13.095 -9.323 -3.294 1.00 0.00 N ATOM 1166 CA ASP A 73 13.434 -8.845 -4.643 1.00 0.00 C ATOM 1167 C ASP A 73 12.302 -8.059 -5.330 1.00 0.00 C ATOM 1168 O ASP A 73 12.543 -7.324 -6.284 1.00 0.00 O ATOM 1169 CB ASP A 73 13.829 -10.053 -5.503 1.00 0.00 C ATOM 1170 CG ASP A 73 14.001 -9.718 -6.972 1.00 0.00 C ATOM 1171 OD1 ASP A 73 15.056 -9.166 -7.345 1.00 0.00 O ATOM 1172 OD2 ASP A 73 13.083 -10.023 -7.762 1.00 0.00 O ATOM 0 H ASP A 73 13.321 -10.307 -3.148 1.00 0.00 H new ATOM 0 HA ASP A 73 14.261 -8.142 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 73 14.761 -10.471 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 73 13.067 -10.826 -5.401 1.00 0.00 H new ATOM 1177 N HIS A 74 11.083 -8.174 -4.831 1.00 0.00 N ATOM 1178 CA HIS A 74 9.934 -7.584 -5.507 1.00 0.00 C ATOM 1179 C HIS A 74 9.617 -6.162 -5.013 1.00 0.00 C ATOM 1180 O HIS A 74 8.620 -5.578 -5.434 1.00 0.00 O ATOM 1181 CB HIS A 74 8.703 -8.486 -5.338 1.00 0.00 C ATOM 1182 CG HIS A 74 8.821 -9.816 -6.023 1.00 0.00 C ATOM 1183 ND1 HIS A 74 7.893 -10.283 -6.930 1.00 0.00 N ATOM 1184 CD2 HIS A 74 9.756 -10.793 -5.916 1.00 0.00 C ATOM 1185 CE1 HIS A 74 8.257 -11.480 -7.352 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.381 -11.813 -6.752 1.00 0.00 N ATOM 0 H HIS A 74 10.861 -8.667 -3.966 1.00 0.00 H new ATOM 0 HA HIS A 74 10.193 -7.504 -6.563 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.530 -8.651 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.828 -7.965 -5.727 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.634 -10.771 -5.288 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.722 -12.085 -8.069 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.889 -12.687 -6.887 1.00 0.00 H new ATOM 1195 N TYR A 75 10.451 -5.593 -4.133 1.00 0.00 N ATOM 1196 CA TYR A 75 10.207 -4.228 -3.633 1.00 0.00 C ATOM 1197 C TYR A 75 11.431 -3.324 -3.810 1.00 0.00 C ATOM 1198 O TYR A 75 12.151 -3.064 -2.850 1.00 0.00 O ATOM 1199 CB TYR A 75 9.840 -4.235 -2.143 1.00 0.00 C ATOM 1200 CG TYR A 75 8.797 -5.249 -1.752 1.00 0.00 C ATOM 1201 CD1 TYR A 75 7.486 -5.133 -2.184 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.130 -6.322 -0.939 1.00 0.00 C ATOM 1203 CE1 TYR A 75 6.533 -6.060 -1.820 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.185 -7.254 -0.569 1.00 0.00 C ATOM 1205 CZ TYR A 75 6.887 -7.119 -1.012 1.00 0.00 C ATOM 1206 OH TYR A 75 5.942 -8.046 -0.650 1.00 0.00 O ATOM 0 H TYR A 75 11.285 -6.043 -3.757 1.00 0.00 H new ATOM 0 HA TYR A 75 9.378 -3.839 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.743 -4.422 -1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.483 -3.243 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.206 -4.303 -2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.147 -6.429 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.515 -5.957 -2.166 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.460 -8.085 0.064 1.00 0.00 H new ATOM 0 HH TYR A 75 6.355 -8.728 -0.080 1.00 0.00 H new ATOM 1216 N GLN A 76 11.679 -2.838 -5.018 1.00 0.00 N ATOM 1217 CA GLN A 76 12.837 -1.980 -5.252 1.00 0.00 C ATOM 1218 C GLN A 76 12.665 -0.619 -4.591 1.00 0.00 C ATOM 1219 O GLN A 76 13.568 -0.141 -3.903 1.00 0.00 O ATOM 1220 CB GLN A 76 13.093 -1.807 -6.746 1.00 0.00 C ATOM 1221 CG GLN A 76 11.830 -1.554 -7.557 1.00 0.00 C ATOM 1222 CD GLN A 76 12.097 -1.314 -9.031 1.00 0.00 C ATOM 1223 OE1 GLN A 76 13.075 -1.808 -9.591 1.00 0.00 O ATOM 1224 NE2 GLN A 76 11.212 -0.574 -9.677 1.00 0.00 N ATOM 0 H GLN A 76 11.105 -3.018 -5.842 1.00 0.00 H new ATOM 0 HA GLN A 76 13.700 -2.470 -4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.782 -0.975 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.586 -2.701 -7.127 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.162 -2.409 -7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.309 -0.690 -7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.414 -0.182 -9.178 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.327 -0.396 -10.675 1.00 0.00 H new ATOM 1233 N ASN A 77 11.494 -0.018 -4.795 1.00 0.00 N ATOM 1234 CA ASN A 77 11.185 1.312 -4.281 1.00 0.00 C ATOM 1235 C ASN A 77 12.057 2.369 -4.951 1.00 0.00 C ATOM 1236 O ASN A 77 11.636 3.003 -5.917 1.00 0.00 O ATOM 1237 CB ASN A 77 11.335 1.375 -2.755 1.00 0.00 C ATOM 1238 CG ASN A 77 10.206 0.672 -2.023 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.203 1.290 -1.682 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.364 -0.615 -1.768 1.00 0.00 N ATOM 0 H ASN A 77 10.732 -0.442 -5.323 1.00 0.00 H new ATOM 0 HA ASN A 77 10.143 1.522 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.285 0.923 -2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.371 2.418 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.637 -1.129 -1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.213 -1.094 -2.068 1.00 0.00 H new ATOM 1247 N PHE A 78 13.275 2.529 -4.445 1.00 0.00 N ATOM 1248 CA PHE A 78 14.224 3.511 -4.966 1.00 0.00 C ATOM 1249 C PHE A 78 15.654 3.208 -4.507 1.00 0.00 C ATOM 1250 O PHE A 78 16.538 3.008 -5.339 1.00 0.00 O ATOM 1251 CB PHE A 78 13.840 4.944 -4.557 1.00 0.00 C ATOM 1252 CG PHE A 78 12.972 5.654 -5.558 1.00 0.00 C ATOM 1253 CD1 PHE A 78 13.452 5.938 -6.827 1.00 0.00 C ATOM 1254 CD2 PHE A 78 11.685 6.045 -5.227 1.00 0.00 C ATOM 1255 CE1 PHE A 78 12.662 6.597 -7.750 1.00 0.00 C ATOM 1256 CE2 PHE A 78 10.889 6.702 -6.147 1.00 0.00 C ATOM 1257 CZ PHE A 78 11.379 6.980 -7.408 1.00 0.00 C ATOM 0 H PHE A 78 13.634 1.982 -3.662 1.00 0.00 H new ATOM 0 HA PHE A 78 14.183 3.438 -6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 78 13.320 4.911 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 78 14.750 5.524 -4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 78 14.455 5.641 -7.098 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.299 5.835 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 78 13.046 6.812 -8.736 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.885 6.997 -5.880 1.00 0.00 H new ATOM 0 HZ PHE A 78 10.760 7.496 -8.126 1.00 0.00 H new ATOM 1267 N PRO A 79 15.912 3.165 -3.183 1.00 0.00 N ATOM 1268 CA PRO A 79 17.272 3.059 -2.655 1.00 0.00 C ATOM 1269 C PRO A 79 17.826 1.638 -2.656 1.00 0.00 C ATOM 1270 O PRO A 79 18.996 1.433 -2.981 1.00 0.00 O ATOM 1271 CB PRO A 79 17.141 3.577 -1.210 1.00 0.00 C ATOM 1272 CG PRO A 79 15.703 3.959 -1.029 1.00 0.00 C ATOM 1273 CD PRO A 79 14.937 3.228 -2.089 1.00 0.00 C ATOM 0 HA PRO A 79 17.972 3.621 -3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.432 2.809 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.795 4.433 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 79 15.350 3.684 -0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.572 5.037 -1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.630 2.236 -1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.032 3.762 -2.379 1.00 0.00 H new ATOM 1281 N LEU A 80 16.975 0.668 -2.307 1.00 0.00 N ATOM 1282 CA LEU A 80 17.408 -0.709 -2.047 1.00 0.00 C ATOM 1283 C LEU A 80 18.250 -0.763 -0.773 1.00 0.00 C ATOM 1284 O LEU A 80 18.835 0.236 -0.352 1.00 0.00 O ATOM 1285 CB LEU A 80 18.192 -1.297 -3.233 1.00 0.00 C ATOM 1286 CG LEU A 80 17.392 -1.551 -4.502 1.00 0.00 C ATOM 1287 CD1 LEU A 80 18.298 -2.055 -5.612 1.00 0.00 C ATOM 1288 CD2 LEU A 80 16.311 -2.549 -4.210 1.00 0.00 C ATOM 0 H LEU A 80 15.971 0.814 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 80 16.514 -1.318 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.011 -0.619 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.640 -2.238 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 80 16.940 -0.617 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.708 -2.231 -6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.066 -1.310 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.771 -2.986 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 80 15.734 -2.736 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.760 -3.481 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.653 -2.156 -3.435 1.00 0.00 H new ATOM 1300 N TYR A 81 18.270 -1.920 -0.134 1.00 0.00 N ATOM 1301 CA TYR A 81 19.056 -2.103 1.072 1.00 0.00 C ATOM 1302 C TYR A 81 20.533 -2.010 0.727 1.00 0.00 C ATOM 1303 O TYR A 81 21.099 -2.926 0.133 1.00 0.00 O ATOM 1304 CB TYR A 81 18.734 -3.458 1.712 1.00 0.00 C ATOM 1305 CG TYR A 81 19.363 -3.664 3.071 1.00 0.00 C ATOM 1306 CD1 TYR A 81 18.740 -3.195 4.220 1.00 0.00 C ATOM 1307 CD2 TYR A 81 20.575 -4.330 3.207 1.00 0.00 C ATOM 1308 CE1 TYR A 81 19.306 -3.383 5.466 1.00 0.00 C ATOM 1309 CE2 TYR A 81 21.148 -4.523 4.448 1.00 0.00 C ATOM 1310 CZ TYR A 81 20.511 -4.047 5.574 1.00 0.00 C ATOM 1311 OH TYR A 81 21.082 -4.236 6.811 1.00 0.00 O ATOM 0 H TYR A 81 17.751 -2.746 -0.431 1.00 0.00 H new ATOM 0 HA TYR A 81 18.809 -1.321 1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.652 -3.556 1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 81 19.069 -4.252 1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 81 17.797 -2.675 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.077 -4.703 2.327 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.809 -3.013 6.350 1.00 0.00 H new ATOM 0 HE2 TYR A 81 22.090 -5.044 4.536 1.00 0.00 H new ATOM 0 HH TYR A 81 21.927 -4.722 6.710 1.00 0.00 H new ATOM 1321 N LEU A 82 21.142 -0.888 1.069 1.00 0.00 N ATOM 1322 CA LEU A 82 22.531 -0.647 0.723 1.00 0.00 C ATOM 1323 C LEU A 82 23.446 -1.340 1.721 1.00 0.00 C ATOM 1324 O LEU A 82 23.888 -0.744 2.705 1.00 0.00 O ATOM 1325 CB LEU A 82 22.818 0.860 0.673 1.00 0.00 C ATOM 1326 CG LEU A 82 23.892 1.304 -0.331 1.00 0.00 C ATOM 1327 CD1 LEU A 82 25.265 0.761 0.040 1.00 0.00 C ATOM 1328 CD2 LEU A 82 23.513 0.869 -1.739 1.00 0.00 C ATOM 0 H LEU A 82 20.696 -0.130 1.586 1.00 0.00 H new ATOM 0 HA LEU A 82 22.724 -1.061 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 82 21.890 1.380 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 82 23.121 1.186 1.668 1.00 0.00 H new ATOM 0 HG LEU A 82 23.946 2.392 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.999 1.096 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 82 25.546 1.126 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.235 -0.329 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 82 24.284 1.191 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 82 23.423 -0.217 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 82 22.560 1.321 -2.015 1.00 0.00 H new ATOM 1340 N GLY A 83 23.682 -2.616 1.483 1.00 0.00 N ATOM 1341 CA GLY A 83 24.623 -3.363 2.284 1.00 0.00 C ATOM 1342 C GLY A 83 25.854 -3.712 1.483 1.00 0.00 C ATOM 1343 O GLY A 83 25.820 -3.682 0.250 1.00 0.00 O ATOM 0 H GLY A 83 23.234 -3.154 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 83 24.907 -2.778 3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 83 24.152 -4.275 2.650 1.00 0.00 H new ATOM 1347 N GLY A 84 26.936 -4.043 2.170 1.00 0.00 N ATOM 1348 CA GLY A 84 28.166 -4.393 1.492 1.00 0.00 C ATOM 1349 C GLY A 84 28.055 -5.722 0.782 1.00 0.00 C ATOM 1350 O GLY A 84 28.734 -5.963 -0.217 1.00 0.00 O ATOM 0 H GLY A 84 26.984 -4.076 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 84 28.418 -3.615 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 84 28.981 -4.434 2.215 1.00 0.00 H new ATOM 1354 N GLU A 85 27.195 -6.583 1.300 1.00 0.00 N ATOM 1355 CA GLU A 85 26.955 -7.877 0.709 1.00 0.00 C ATOM 1356 C GLU A 85 25.743 -7.831 -0.202 1.00 0.00 C ATOM 1357 O GLU A 85 25.836 -8.058 -1.408 1.00 0.00 O ATOM 1358 CB GLU A 85 26.688 -8.907 1.798 1.00 0.00 C ATOM 1359 CG GLU A 85 27.700 -8.912 2.922 1.00 0.00 C ATOM 1360 CD GLU A 85 29.121 -9.084 2.434 1.00 0.00 C ATOM 1361 OE1 GLU A 85 29.407 -10.109 1.776 1.00 0.00 O ATOM 1362 OE2 GLU A 85 29.960 -8.206 2.713 1.00 0.00 O ATOM 0 H GLU A 85 26.647 -6.400 2.141 1.00 0.00 H new ATOM 0 HA GLU A 85 27.840 -8.152 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 85 25.699 -8.724 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 85 26.663 -9.898 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 85 27.623 -7.978 3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 85 27.460 -9.717 3.617 1.00 0.00 H new ATOM 1369 N THR A 86 24.605 -7.526 0.393 1.00 0.00 N ATOM 1370 CA THR A 86 23.332 -7.663 -0.277 1.00 0.00 C ATOM 1371 C THR A 86 22.653 -6.321 -0.507 1.00 0.00 C ATOM 1372 O THR A 86 22.436 -5.550 0.427 1.00 0.00 O ATOM 1373 CB THR A 86 22.398 -8.569 0.545 1.00 0.00 C ATOM 1374 OG1 THR A 86 23.034 -8.941 1.778 1.00 0.00 O ATOM 1375 CG2 THR A 86 22.048 -9.824 -0.230 1.00 0.00 C ATOM 0 H THR A 86 24.540 -7.178 1.350 1.00 0.00 H new ATOM 0 HA THR A 86 23.530 -8.110 -1.251 1.00 0.00 H new ATOM 0 HB THR A 86 21.484 -8.013 0.754 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.433 -9.516 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.387 -10.450 0.370 1.00 0.00 H new ATOM 0 HG22 THR A 86 21.545 -9.550 -1.158 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.960 -10.376 -0.460 1.00 0.00 H new ATOM 1383 N HIS A 87 22.334 -6.045 -1.763 1.00 0.00 N ATOM 1384 CA HIS A 87 21.497 -4.906 -2.107 1.00 0.00 C ATOM 1385 C HIS A 87 20.097 -5.426 -2.337 1.00 0.00 C ATOM 1386 O HIS A 87 19.726 -5.775 -3.456 1.00 0.00 O ATOM 1387 CB HIS A 87 22.000 -4.169 -3.354 1.00 0.00 C ATOM 1388 CG HIS A 87 23.390 -3.614 -3.230 1.00 0.00 C ATOM 1389 ND1 HIS A 87 23.728 -2.340 -3.629 1.00 0.00 N ATOM 1390 CD2 HIS A 87 24.533 -4.172 -2.769 1.00 0.00 C ATOM 1391 CE1 HIS A 87 25.015 -2.140 -3.419 1.00 0.00 C ATOM 1392 NE2 HIS A 87 25.528 -3.237 -2.899 1.00 0.00 N ATOM 0 H HIS A 87 22.644 -6.597 -2.563 1.00 0.00 H new ATOM 0 HA HIS A 87 21.523 -4.183 -1.292 1.00 0.00 H new ATOM 0 HB2 HIS A 87 21.970 -4.853 -4.202 1.00 0.00 H new ATOM 0 HB3 HIS A 87 21.315 -3.352 -3.579 1.00 0.00 H new ATOM 0 HD2 HIS A 87 24.642 -5.170 -2.372 1.00 0.00 H new ATOM 0 HE1 HIS A 87 25.557 -1.231 -3.636 1.00 0.00 H new ATOM 0 HE2 HIS A 87 26.505 -3.369 -2.636 1.00 0.00 H new ATOM 1401 N GLU A 88 19.335 -5.510 -1.267 1.00 0.00 N ATOM 1402 CA GLU A 88 18.067 -6.201 -1.302 1.00 0.00 C ATOM 1403 C GLU A 88 16.938 -5.215 -1.444 1.00 0.00 C ATOM 1404 O GLU A 88 16.991 -4.102 -0.928 1.00 0.00 O ATOM 1405 CB GLU A 88 17.887 -7.064 -0.051 1.00 0.00 C ATOM 1406 CG GLU A 88 16.662 -7.967 -0.101 1.00 0.00 C ATOM 1407 CD GLU A 88 16.592 -8.808 -1.362 1.00 0.00 C ATOM 1408 OE1 GLU A 88 16.244 -8.263 -2.432 1.00 0.00 O ATOM 1409 OE2 GLU A 88 16.884 -10.018 -1.292 1.00 0.00 O ATOM 0 H GLU A 88 19.574 -5.107 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 88 18.055 -6.861 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.776 -7.680 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.813 -6.414 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.668 -8.626 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.763 -7.354 -0.030 1.00 0.00 H new ATOM 1416 N HIS A 89 15.935 -5.632 -2.166 1.00 0.00 N ATOM 1417 CA HIS A 89 14.767 -4.826 -2.380 1.00 0.00 C ATOM 1418 C HIS A 89 13.943 -4.846 -1.096 1.00 0.00 C ATOM 1419 O HIS A 89 13.553 -5.911 -0.635 1.00 0.00 O ATOM 1420 CB HIS A 89 13.973 -5.393 -3.566 1.00 0.00 C ATOM 1421 CG HIS A 89 14.663 -5.273 -4.896 1.00 0.00 C ATOM 1422 ND1 HIS A 89 15.998 -5.551 -5.093 1.00 0.00 N ATOM 1423 CD2 HIS A 89 14.201 -4.841 -6.091 1.00 0.00 C ATOM 1424 CE1 HIS A 89 16.325 -5.278 -6.340 1.00 0.00 C ATOM 1425 NE2 HIS A 89 15.253 -4.852 -6.967 1.00 0.00 N ATOM 0 H HIS A 89 15.905 -6.543 -2.624 1.00 0.00 H new ATOM 0 HA HIS A 89 15.032 -3.796 -2.618 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.762 -6.445 -3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.013 -4.880 -3.622 1.00 0.00 H new ATOM 0 HD2 HIS A 89 13.187 -4.542 -6.314 1.00 0.00 H new ATOM 0 HE1 HIS A 89 17.308 -5.386 -6.773 1.00 0.00 H new ATOM 0 HE2 HIS A 89 15.211 -4.574 -7.948 1.00 0.00 H new ATOM 1434 N TYR A 90 13.711 -3.690 -0.492 1.00 0.00 N ATOM 1435 CA TYR A 90 13.058 -3.658 0.810 1.00 0.00 C ATOM 1436 C TYR A 90 11.940 -2.623 0.849 1.00 0.00 C ATOM 1437 O TYR A 90 12.050 -1.549 0.255 1.00 0.00 O ATOM 1438 CB TYR A 90 14.080 -3.362 1.920 1.00 0.00 C ATOM 1439 CG TYR A 90 14.440 -1.894 2.062 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.239 -1.254 1.121 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.966 -1.150 3.134 1.00 0.00 C ATOM 1442 CE1 TYR A 90 15.557 0.085 1.250 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.279 0.189 3.270 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.074 0.802 2.326 1.00 0.00 C ATOM 1445 OH TYR A 90 15.386 2.138 2.459 1.00 0.00 O ATOM 0 H TYR A 90 13.959 -2.777 -0.873 1.00 0.00 H new ATOM 0 HA TYR A 90 12.619 -4.641 0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.682 -3.720 2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.989 -3.930 1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.617 -1.811 0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.341 -1.626 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.181 0.568 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.903 0.752 4.111 1.00 0.00 H new ATOM 0 HH TYR A 90 14.965 2.493 3.270 1.00 0.00 H new ATOM 1455 N GLY A 91 10.868 -2.960 1.549 1.00 0.00 N ATOM 1456 CA GLY A 91 9.796 -2.012 1.784 1.00 0.00 C ATOM 1457 C GLY A 91 9.285 -2.104 3.211 1.00 0.00 C ATOM 1458 O GLY A 91 9.620 -3.048 3.926 1.00 0.00 O ATOM 0 H GLY A 91 10.719 -3.881 1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.152 -1.001 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.978 -2.204 1.089 1.00 0.00 H new ATOM 1462 N ILE A 92 8.475 -1.137 3.628 1.00 0.00 N ATOM 1463 CA ILE A 92 7.957 -1.108 4.993 1.00 0.00 C ATOM 1464 C ILE A 92 6.520 -1.637 5.038 1.00 0.00 C ATOM 1465 O ILE A 92 5.601 -1.009 4.505 1.00 0.00 O ATOM 1466 CB ILE A 92 8.001 0.318 5.583 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.404 0.913 5.419 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.603 0.295 7.054 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.511 2.350 5.879 1.00 0.00 C ATOM 0 H ILE A 92 8.163 -0.363 3.042 1.00 0.00 H new ATOM 0 HA ILE A 92 8.597 -1.752 5.596 1.00 0.00 H new ATOM 0 HB ILE A 92 7.290 0.943 5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.114 0.307 5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.694 0.854 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.639 1.307 7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.591 -0.099 7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.294 -0.340 7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.532 2.704 5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.826 2.969 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.253 2.414 6.936 1.00 0.00 H new ATOM 1481 N PRO A 93 6.312 -2.799 5.677 1.00 0.00 N ATOM 1482 CA PRO A 93 5.011 -3.478 5.717 1.00 0.00 C ATOM 1483 C PRO A 93 3.985 -2.776 6.609 1.00 0.00 C ATOM 1484 O PRO A 93 4.244 -2.505 7.782 1.00 0.00 O ATOM 1485 CB PRO A 93 5.336 -4.869 6.289 1.00 0.00 C ATOM 1486 CG PRO A 93 6.825 -4.964 6.309 1.00 0.00 C ATOM 1487 CD PRO A 93 7.331 -3.558 6.411 1.00 0.00 C ATOM 0 HA PRO A 93 4.555 -3.496 4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.923 -4.986 7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 93 4.902 -5.656 5.672 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.166 -5.563 7.154 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.197 -5.447 5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.413 -3.230 7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.319 -3.449 5.963 1.00 0.00 H new ATOM 1495 N HIS A 94 2.823 -2.483 6.042 1.00 0.00 N ATOM 1496 CA HIS A 94 1.700 -1.925 6.797 1.00 0.00 C ATOM 1497 C HIS A 94 0.470 -2.791 6.576 1.00 0.00 C ATOM 1498 O HIS A 94 0.490 -3.694 5.739 1.00 0.00 O ATOM 1499 CB HIS A 94 1.383 -0.489 6.357 1.00 0.00 C ATOM 1500 CG HIS A 94 2.482 0.498 6.597 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.691 0.450 5.944 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.537 1.578 7.408 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.441 1.458 6.340 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.766 2.163 7.229 1.00 0.00 N ATOM 0 H HIS A 94 2.628 -2.623 5.051 1.00 0.00 H new ATOM 0 HA HIS A 94 1.976 -1.908 7.851 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.144 -0.494 5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.490 -0.152 6.883 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.964 -0.256 5.260 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.758 1.918 8.074 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.442 1.672 5.995 1.00 0.00 H new ATOM 0 HE2 HIS A 94 4.101 3.002 7.703 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.608 -2.482 7.276 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.812 -3.276 7.167 1.00 0.00 C ATOM 1515 C GLY A 95 -2.940 -2.692 7.984 1.00 0.00 C ATOM 1516 O GLY A 95 -2.706 -1.879 8.881 1.00 0.00 O ATOM 0 H GLY A 95 -0.671 -1.693 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.114 -3.338 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.609 -4.293 7.501 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.161 -3.098 7.669 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.350 -2.513 8.274 1.00 0.00 C ATOM 1522 C PHE A 96 -6.418 -3.574 8.482 1.00 0.00 C ATOM 1523 O PHE A 96 -6.167 -4.765 8.307 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.920 -1.400 7.383 1.00 0.00 C ATOM 1525 CG PHE A 96 -5.058 -0.175 7.290 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -5.145 0.820 8.247 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.164 -0.018 6.242 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -4.358 1.950 8.163 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.375 1.110 6.154 1.00 0.00 C ATOM 1530 CZ PHE A 96 -3.472 2.093 7.115 1.00 0.00 C ATOM 0 H PHE A 96 -4.356 -3.836 6.993 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.061 -2.093 9.237 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.074 -1.798 6.380 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.899 -1.112 7.765 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.837 0.711 9.069 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.085 -0.786 5.487 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -4.435 2.721 8.916 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.682 1.223 5.333 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.854 2.976 7.048 1.00 0.00 H new ATOM 1540 N SER A 97 -7.616 -3.125 8.811 1.00 0.00 N ATOM 1541 CA SER A 97 -8.741 -4.017 9.031 1.00 0.00 C ATOM 1542 C SER A 97 -10.051 -3.290 8.737 1.00 0.00 C ATOM 1543 O SER A 97 -11.131 -3.743 9.112 1.00 0.00 O ATOM 1544 CB SER A 97 -8.720 -4.515 10.480 1.00 0.00 C ATOM 1545 OG SER A 97 -8.569 -3.432 11.385 1.00 0.00 O ATOM 0 H SER A 97 -7.836 -2.137 8.933 1.00 0.00 H new ATOM 0 HA SER A 97 -8.663 -4.872 8.359 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.644 -5.051 10.698 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.902 -5.223 10.614 1.00 0.00 H new ATOM 0 HG SER A 97 -8.560 -3.772 12.304 1.00 0.00 H new ATOM 1551 N SER A 98 -9.941 -2.158 8.047 1.00 0.00 N ATOM 1552 CA SER A 98 -11.099 -1.362 7.669 1.00 0.00 C ATOM 1553 C SER A 98 -10.812 -0.608 6.372 1.00 0.00 C ATOM 1554 O SER A 98 -9.825 0.125 6.276 1.00 0.00 O ATOM 1555 CB SER A 98 -11.453 -0.375 8.784 1.00 0.00 C ATOM 1556 OG SER A 98 -11.736 -1.057 9.995 1.00 0.00 O ATOM 0 H SER A 98 -9.050 -1.770 7.737 1.00 0.00 H new ATOM 0 HA SER A 98 -11.947 -2.029 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.626 0.318 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.317 0.220 8.487 1.00 0.00 H new ATOM 0 HG SER A 98 -11.958 -0.406 10.693 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.670 -0.802 5.377 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.481 -0.191 4.064 1.00 0.00 C ATOM 1564 C ARG A 99 -11.468 1.327 4.147 1.00 0.00 C ATOM 1565 O ARG A 99 -10.574 1.977 3.607 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.570 -0.637 3.090 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.437 -2.082 2.650 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.345 -2.383 1.473 1.00 0.00 C ATOM 1569 NE ARG A 99 -14.757 -2.463 1.851 1.00 0.00 N ATOM 1570 CZ ARG A 99 -15.611 -3.344 1.327 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -15.188 -4.231 0.431 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -16.885 -3.348 1.702 1.00 0.00 N ATOM 0 H ARG A 99 -12.507 -1.380 5.454 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.511 -0.526 3.696 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.544 -0.497 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.544 0.006 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.402 -2.288 2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.684 -2.742 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.220 -1.609 0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.042 -3.326 1.018 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.107 -1.810 2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.209 -4.238 0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.842 -4.904 0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -17.215 -2.675 2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.533 -4.024 1.298 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.469 1.890 4.813 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.569 3.343 4.943 1.00 0.00 C ATOM 1588 C ILE A 100 -11.351 3.936 5.657 1.00 0.00 C ATOM 1589 O ILE A 100 -10.966 5.075 5.399 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.857 3.782 5.671 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -13.944 5.312 5.675 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.899 3.226 7.090 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -15.217 5.855 6.270 1.00 0.00 C ATOM 0 H ILE A 100 -13.219 1.370 5.269 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.604 3.729 3.924 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.720 3.380 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.096 5.712 6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.852 5.673 4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.817 3.550 7.581 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.871 2.137 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.039 3.593 7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -15.199 6.944 6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -16.071 5.487 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -15.303 5.527 7.306 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.740 3.169 6.550 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.544 3.639 7.230 1.00 0.00 C ATOM 1607 C ALA A 101 -8.410 3.785 6.233 1.00 0.00 C ATOM 1608 O ALA A 101 -7.647 4.742 6.291 1.00 0.00 O ATOM 1609 CB ALA A 101 -9.141 2.701 8.355 1.00 0.00 C ATOM 0 H ALA A 101 -11.047 2.234 6.816 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.763 4.611 7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.243 3.082 8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.950 2.637 9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.940 1.710 7.948 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.321 2.831 5.315 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.354 2.899 4.228 1.00 0.00 C ATOM 1617 C LEU A 102 -7.660 4.094 3.325 1.00 0.00 C ATOM 1618 O LEU A 102 -6.752 4.770 2.843 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.380 1.598 3.420 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.391 1.525 2.253 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.959 1.671 2.748 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.561 0.218 1.495 1.00 0.00 C ATOM 0 H LEU A 102 -8.910 1.998 5.302 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.357 3.028 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.179 0.767 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.387 1.454 3.029 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.602 2.351 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.274 1.616 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.843 2.633 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.733 0.869 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.851 0.182 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.378 -0.619 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.576 0.154 1.104 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.953 4.345 3.119 1.00 0.00 N ATOM 1635 CA GLU A 103 -9.412 5.493 2.341 1.00 0.00 C ATOM 1636 C GLU A 103 -8.863 6.780 2.953 1.00 0.00 C ATOM 1637 O GLU A 103 -8.115 7.522 2.311 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.950 5.531 2.327 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.565 6.242 1.125 1.00 0.00 C ATOM 1640 CD GLU A 103 -11.333 7.741 1.123 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -11.684 8.404 2.124 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -10.822 8.267 0.115 1.00 0.00 O ATOM 0 H GLU A 103 -9.706 3.762 3.484 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.051 5.403 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.324 4.508 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.295 6.022 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.150 5.817 0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.638 6.049 1.108 1.00 0.00 H new ATOM 1649 N ARG A 104 -9.211 7.019 4.216 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.777 8.222 4.920 1.00 0.00 C ATOM 1651 C ARG A 104 -7.258 8.247 5.078 1.00 0.00 C ATOM 1652 O ARG A 104 -6.646 9.317 5.123 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.446 8.314 6.296 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.964 8.254 6.247 1.00 0.00 C ATOM 1655 CD ARG A 104 -11.582 8.750 7.545 1.00 0.00 C ATOM 1656 NE ARG A 104 -13.039 8.849 7.456 1.00 0.00 N ATOM 1657 CZ ARG A 104 -13.692 9.983 7.198 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -13.025 11.113 6.996 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -15.017 9.989 7.147 1.00 0.00 N ATOM 0 H ARG A 104 -9.793 6.394 4.773 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.077 9.083 4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.080 7.501 6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.144 9.246 6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.327 8.858 5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.283 7.229 6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.314 8.073 8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.167 9.727 7.794 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.588 8.001 7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.006 11.118 7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.532 11.976 6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.537 9.126 7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.516 10.857 6.950 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.659 7.066 5.155 1.00 0.00 N ATOM 1674 CA TYR A 105 -5.216 6.936 5.303 1.00 0.00 C ATOM 1675 C TYR A 105 -4.495 7.534 4.104 1.00 0.00 C ATOM 1676 O TYR A 105 -3.599 8.364 4.259 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.829 5.464 5.456 1.00 0.00 C ATOM 1678 CG TYR A 105 -3.379 5.261 5.805 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -2.904 5.601 7.061 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -2.485 4.728 4.885 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -1.580 5.419 7.393 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -1.155 4.542 5.212 1.00 0.00 C ATOM 1683 CZ TYR A 105 -0.710 4.890 6.469 1.00 0.00 C ATOM 1684 OH TYR A 105 0.607 4.704 6.810 1.00 0.00 O ATOM 0 H TYR A 105 -7.156 6.176 5.117 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.917 7.480 6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -5.448 5.012 6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.048 4.940 4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.583 6.015 7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.834 4.455 3.900 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -1.226 5.691 8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.470 4.127 4.488 1.00 0.00 H new ATOM 0 HH TYR A 105 0.969 3.942 6.312 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.899 7.112 2.910 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.304 7.613 1.675 1.00 0.00 C ATOM 1696 C LEU A 106 -4.488 9.121 1.565 1.00 0.00 C ATOM 1697 O LEU A 106 -3.602 9.832 1.092 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.925 6.915 0.463 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.760 5.393 0.436 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.494 4.797 -0.752 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.286 5.012 0.393 1.00 0.00 C ATOM 0 H LEU A 106 -5.638 6.423 2.771 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.236 7.395 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.989 7.150 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.481 7.329 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.194 4.988 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.365 3.715 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.555 5.036 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.090 5.212 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.191 3.926 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.828 5.432 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.783 5.405 1.276 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.633 9.599 2.035 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.951 11.023 2.015 1.00 0.00 C ATOM 1715 C ASN A 107 -5.038 11.816 2.946 1.00 0.00 C ATOM 1716 O ASN A 107 -4.670 12.948 2.651 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.413 11.241 2.411 1.00 0.00 C ATOM 1718 CG ASN A 107 -8.372 11.037 1.254 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -8.692 11.975 0.524 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.837 9.815 1.078 1.00 0.00 N ATOM 0 H ASN A 107 -6.365 9.015 2.439 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.791 11.384 0.999 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.672 10.555 3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.532 12.252 2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.486 9.621 0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.548 9.064 1.705 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.674 11.221 4.073 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.808 11.900 5.017 1.00 0.00 C ATOM 1729 C GLY A 108 -2.338 11.767 4.661 1.00 0.00 C ATOM 1730 O GLY A 108 -1.546 12.684 4.888 1.00 0.00 O ATOM 0 H GLY A 108 -4.962 10.283 4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -4.075 12.956 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.975 11.494 6.015 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.973 10.617 4.113 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.586 10.345 3.755 1.00 0.00 C ATOM 1736 C LEU A 109 -0.219 10.990 2.419 1.00 0.00 C ATOM 1737 O LEU A 109 0.708 11.795 2.347 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.340 8.832 3.706 1.00 0.00 C ATOM 1739 CG LEU A 109 1.121 8.407 3.536 1.00 0.00 C ATOM 1740 CD1 LEU A 109 1.982 8.987 4.649 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.229 6.890 3.521 1.00 0.00 C ATOM 0 H LEU A 109 -2.619 9.855 3.906 1.00 0.00 H new ATOM 0 HA LEU A 109 0.053 10.784 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.724 8.389 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.920 8.414 2.883 1.00 0.00 H new ATOM 0 HG LEU A 109 1.484 8.794 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.017 8.673 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.926 10.075 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.621 8.629 5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.273 6.601 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.848 6.489 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.643 6.492 2.692 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.961 10.651 1.371 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.635 11.112 0.025 1.00 0.00 C ATOM 1755 C PHE A 110 -1.517 12.285 -0.393 1.00 0.00 C ATOM 1756 O PHE A 110 -1.403 12.790 -1.508 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.780 9.970 -0.985 1.00 0.00 C ATOM 1758 CG PHE A 110 0.109 8.793 -0.700 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.485 8.900 -0.832 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.430 7.580 -0.307 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.306 7.818 -0.574 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.387 6.495 -0.048 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.756 6.615 -0.182 1.00 0.00 C ATOM 0 H PHE A 110 -1.791 10.060 1.426 1.00 0.00 H new ATOM 0 HA PHE A 110 0.401 11.451 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.817 9.636 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.557 10.349 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.920 9.839 -1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.500 7.480 -0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.377 7.914 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.045 5.554 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.395 5.768 0.020 1.00 0.00 H new ATOM 1773 N GLY A 111 -2.392 12.721 0.504 1.00 0.00 N ATOM 1774 CA GLY A 111 -3.278 13.829 0.194 1.00 0.00 C ATOM 1775 C GLY A 111 -2.650 15.174 0.500 1.00 0.00 C ATOM 1776 O GLY A 111 -3.211 16.220 0.174 1.00 0.00 O ATOM 0 H GLY A 111 -2.505 12.329 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.549 13.789 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.201 13.724 0.765 1.00 0.00 H new ATOM 1780 N ASP A 112 -1.468 15.139 1.107 1.00 0.00 N ATOM 1781 CA ASP A 112 -0.733 16.357 1.468 1.00 0.00 C ATOM 1782 C ASP A 112 0.062 16.841 0.277 1.00 0.00 C ATOM 1783 O ASP A 112 0.698 17.892 0.274 1.00 0.00 O ATOM 1784 CB ASP A 112 0.216 16.049 2.611 1.00 0.00 C ATOM 1785 CG ASP A 112 0.480 17.231 3.530 1.00 0.00 C ATOM 1786 OD1 ASP A 112 0.952 18.281 3.057 1.00 0.00 O ATOM 1787 OD2 ASP A 112 0.214 17.100 4.748 1.00 0.00 O ATOM 0 H ASP A 112 -0.991 14.274 1.363 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.439 17.130 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -0.195 15.229 3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.164 15.703 2.199 1.00 0.00 H new TER 1792 ASP A 112