USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 795 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 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 76 LYS NZ :NH3+ -163:sc= -0.156 (180deg=-0.883) USER MOD Set 2.2: A 78 THR OG1 : rot -82:sc= -0.0726 USER MOD Single : A 3 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.26) USER MOD Single : A 5 GLN : amide:sc= -0.0622 X(o=-0.062,f=-0.33) USER MOD Single : A 7 SER OG : rot 52:sc= 0.437 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 170:sc= 0.0615 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0.119 K(o=0.12,f=-2.6!) USER MOD Single : A 34 MET CE :methyl -169:sc= -5.91! (180deg=-6.42!) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.202 F(o=-1.4!,f=-0.2) USER MOD Single : A 49 SER OG : rot -104:sc= -2.72! USER MOD Single : A 50 THR OG1 : rot 151:sc= -1.56! USER MOD Single : A 52 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.45) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00888 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0733 USER MOD Single : A 60 TYR OH : rot 120:sc= -1.38! USER MOD Single : A 63 SER OG : rot -50:sc= 0.00364 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 22:sc= 0.0266 USER MOD Single : A 74 ASN : amide:sc= -0.493 K(o=-0.49,f=-3.8!) USER MOD Single : A 77 ASN :FLIP amide:sc= 0.312 F(o=-0.6,f=0.31) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.625 USER MOD Single : A 82 GLN : amide:sc= -0.631 X(o=-0.63,f=-0.89) USER MOD Single : A 83 MET CE :methyl 177:sc= -0.998 (180deg=-1.06) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.561 F(o=-3.9!,f=-0.56) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.259 USER MOD Single : A 94 TYR OH : rot 150:sc= 0.59 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= -0.466 (180deg=-1.25) USER MOD Single : A 99 TYR OH : rot -106:sc= 0.00523 USER MOD Single : A 100 SER OG : rot 15:sc= 0.0653 USER MOD Single : A 109 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.8!) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 -9.394 -8.927 6.739 1.00 0.00 N ATOM 16 CA VAL A 2 -8.505 -8.908 5.584 1.00 0.00 C ATOM 17 C VAL A 2 -7.043 -8.954 6.011 1.00 0.00 C ATOM 18 O VAL A 2 -6.550 -8.040 6.670 1.00 0.00 O ATOM 19 CB VAL A 2 -8.732 -7.652 4.719 1.00 0.00 C ATOM 20 CG1 VAL A 2 -8.420 -7.943 3.260 1.00 0.00 C ATOM 21 CG2 VAL A 2 -10.157 -7.142 4.872 1.00 0.00 C ATOM 0 HA VAL A 2 -8.738 -9.795 4.995 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.053 -6.873 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.586 -7.044 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.379 -8.253 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.070 -8.741 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.295 -6.255 4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.856 -7.917 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.342 -6.888 5.916 1.00 0.00 H new ATOM 31 N GLN A 3 -6.353 -10.022 5.624 1.00 0.00 N ATOM 32 CA GLN A 3 -4.943 -10.183 5.959 1.00 0.00 C ATOM 33 C GLN A 3 -4.103 -10.294 4.693 1.00 0.00 C ATOM 34 O GLN A 3 -4.496 -10.955 3.733 1.00 0.00 O ATOM 35 CB GLN A 3 -4.735 -11.419 6.834 1.00 0.00 C ATOM 36 CG GLN A 3 -3.385 -11.442 7.528 1.00 0.00 C ATOM 37 CD GLN A 3 -2.543 -12.638 7.129 1.00 0.00 C ATOM 38 OE1 GLN A 3 -3.043 -13.759 7.031 1.00 0.00 O ATOM 39 NE2 GLN A 3 -1.256 -12.406 6.896 1.00 0.00 N ATOM 0 H GLN A 3 -6.747 -10.788 5.078 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.624 -9.303 6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.523 -11.460 7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.835 -12.313 6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.843 -10.526 7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.536 -11.453 8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.883 -11.461 6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.641 -13.173 6.624 1.00 0.00 H new ATOM 48 N LEU A 4 -2.948 -9.635 4.694 1.00 0.00 N ATOM 49 CA LEU A 4 -2.061 -9.657 3.537 1.00 0.00 C ATOM 50 C LEU A 4 -0.648 -10.074 3.943 1.00 0.00 C ATOM 51 O LEU A 4 -0.317 -10.101 5.127 1.00 0.00 O ATOM 52 CB LEU A 4 -2.044 -8.279 2.860 1.00 0.00 C ATOM 53 CG LEU A 4 -3.143 -7.312 3.321 1.00 0.00 C ATOM 54 CD1 LEU A 4 -2.833 -5.894 2.876 1.00 0.00 C ATOM 55 CD2 LEU A 4 -4.502 -7.739 2.792 1.00 0.00 C ATOM 0 H LEU A 4 -2.606 -9.082 5.480 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.437 -10.393 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.074 -7.815 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.134 -8.420 1.783 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.173 -7.339 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.625 -5.225 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.883 -5.577 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.768 -5.860 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.262 -7.037 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.481 -7.750 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.739 -8.737 3.160 1.00 0.00 H new ATOM 67 N GLN A 5 0.177 -10.408 2.954 1.00 0.00 N ATOM 68 CA GLN A 5 1.551 -10.831 3.212 1.00 0.00 C ATOM 69 C GLN A 5 2.519 -10.133 2.262 1.00 0.00 C ATOM 70 O GLN A 5 2.272 -10.057 1.059 1.00 0.00 O ATOM 71 CB GLN A 5 1.671 -12.351 3.066 1.00 0.00 C ATOM 72 CG GLN A 5 3.104 -12.846 2.943 1.00 0.00 C ATOM 73 CD GLN A 5 3.372 -13.531 1.617 1.00 0.00 C ATOM 74 OE1 GLN A 5 2.852 -13.123 0.579 1.00 0.00 O ATOM 75 NE2 GLN A 5 4.187 -14.579 1.647 1.00 0.00 N ATOM 0 H GLN A 5 -0.081 -10.394 1.967 1.00 0.00 H new ATOM 0 HA GLN A 5 1.811 -10.551 4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.205 -12.827 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.111 -12.667 2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.787 -12.004 3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.316 -13.541 3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.596 -14.882 2.531 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.404 -15.081 0.786 1.00 0.00 H new ATOM 84 N ALA A 6 3.619 -9.621 2.809 1.00 0.00 N ATOM 85 CA ALA A 6 4.616 -8.924 2.002 1.00 0.00 C ATOM 86 C ALA A 6 5.989 -9.580 2.108 1.00 0.00 C ATOM 87 O ALA A 6 6.330 -10.178 3.129 1.00 0.00 O ATOM 88 CB ALA A 6 4.695 -7.463 2.413 1.00 0.00 C ATOM 0 H ALA A 6 3.842 -9.675 3.803 1.00 0.00 H new ATOM 0 HA ALA A 6 4.302 -8.987 0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.442 -6.954 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.724 -6.991 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.976 -7.395 3.464 1.00 0.00 H new ATOM 94 N SER A 7 6.772 -9.458 1.038 1.00 0.00 N ATOM 95 CA SER A 7 8.114 -10.031 0.993 1.00 0.00 C ATOM 96 C SER A 7 8.857 -9.572 -0.260 1.00 0.00 C ATOM 97 O SER A 7 8.329 -8.795 -1.058 1.00 0.00 O ATOM 98 CB SER A 7 8.042 -11.559 1.025 1.00 0.00 C ATOM 99 OG SER A 7 8.344 -12.057 2.316 1.00 0.00 O ATOM 0 H SER A 7 6.498 -8.965 0.188 1.00 0.00 H new ATOM 0 HA SER A 7 8.661 -9.683 1.869 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.045 -11.885 0.730 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.741 -11.974 0.299 1.00 0.00 H new ATOM 0 HG SER A 7 7.786 -11.602 2.981 1.00 0.00 H new ATOM 105 N GLY A 8 10.082 -10.062 -0.428 1.00 0.00 N ATOM 106 CA GLY A 8 10.876 -9.696 -1.586 1.00 0.00 C ATOM 107 C GLY A 8 12.008 -8.746 -1.246 1.00 0.00 C ATOM 108 O GLY A 8 12.661 -8.205 -2.139 1.00 0.00 O ATOM 0 H GLY A 8 10.538 -10.706 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.288 -10.598 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.230 -9.232 -2.332 1.00 0.00 H new ATOM 112 N GLY A 9 12.242 -8.540 0.048 1.00 0.00 N ATOM 113 CA GLY A 9 13.303 -7.647 0.477 1.00 0.00 C ATOM 114 C GLY A 9 14.678 -8.149 0.082 1.00 0.00 C ATOM 115 O GLY A 9 14.941 -9.351 0.116 1.00 0.00 O ATOM 0 H GLY A 9 11.716 -8.976 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.141 -6.660 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.260 -7.530 1.560 1.00 0.00 H new ATOM 119 N GLY A 10 15.553 -7.223 -0.298 1.00 0.00 N ATOM 120 CA GLY A 10 16.898 -7.596 -0.701 1.00 0.00 C ATOM 121 C GLY A 10 17.950 -6.619 -0.215 1.00 0.00 C ATOM 122 O GLY A 10 17.649 -5.686 0.532 1.00 0.00 O ATOM 0 H GLY A 10 15.356 -6.223 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.126 -8.590 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.942 -7.659 -1.788 1.00 0.00 H new ATOM 126 N LEU A 11 19.191 -6.839 -0.641 1.00 0.00 N ATOM 127 CA LEU A 11 20.303 -5.980 -0.251 1.00 0.00 C ATOM 128 C LEU A 11 20.804 -5.170 -1.443 1.00 0.00 C ATOM 129 O LEU A 11 21.361 -5.725 -2.389 1.00 0.00 O ATOM 130 CB LEU A 11 21.446 -6.826 0.321 1.00 0.00 C ATOM 131 CG LEU A 11 21.601 -6.775 1.842 1.00 0.00 C ATOM 132 CD1 LEU A 11 21.888 -5.353 2.303 1.00 0.00 C ATOM 133 CD2 LEU A 11 20.355 -7.322 2.525 1.00 0.00 C ATOM 0 H LEU A 11 19.451 -7.608 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 11 19.950 -5.289 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.292 -7.863 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 11 22.381 -6.499 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 11 22.447 -7.402 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 11 21.995 -5.337 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.811 -5.000 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.064 -4.702 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.484 -7.278 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.490 -6.724 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.198 -8.357 2.220 1.00 0.00 H new ATOM 145 N VAL A 12 20.603 -3.855 -1.393 1.00 0.00 N ATOM 146 CA VAL A 12 21.037 -2.979 -2.477 1.00 0.00 C ATOM 147 C VAL A 12 22.084 -1.978 -2.003 1.00 0.00 C ATOM 148 O VAL A 12 22.477 -1.977 -0.837 1.00 0.00 O ATOM 149 CB VAL A 12 19.856 -2.199 -3.090 1.00 0.00 C ATOM 150 CG1 VAL A 12 18.736 -3.144 -3.486 1.00 0.00 C ATOM 151 CG2 VAL A 12 19.352 -1.134 -2.124 1.00 0.00 C ATOM 0 H VAL A 12 20.145 -3.375 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 12 21.472 -3.629 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 12 20.210 -1.697 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.913 -2.573 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 12 19.106 -3.858 -4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.384 -3.680 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 12 18.519 -0.596 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 12 19.018 -1.608 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 12 20.157 -0.434 -1.902 1.00 0.00 H new ATOM 161 N GLN A 13 22.517 -1.121 -2.918 1.00 0.00 N ATOM 162 CA GLN A 13 23.507 -0.098 -2.611 1.00 0.00 C ATOM 163 C GLN A 13 22.888 1.289 -2.760 1.00 0.00 C ATOM 164 O GLN A 13 21.933 1.463 -3.514 1.00 0.00 O ATOM 165 CB GLN A 13 24.716 -0.235 -3.538 1.00 0.00 C ATOM 166 CG GLN A 13 25.731 -1.264 -3.068 1.00 0.00 C ATOM 167 CD GLN A 13 26.254 -2.125 -4.200 1.00 0.00 C ATOM 168 OE1 GLN A 13 27.360 -1.912 -4.697 1.00 0.00 O ATOM 169 NE2 GLN A 13 25.460 -3.105 -4.615 1.00 0.00 N ATOM 0 H GLN A 13 22.195 -1.115 -3.886 1.00 0.00 H new ATOM 0 HA GLN A 13 23.839 -0.230 -1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 13 24.370 -0.508 -4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.208 0.734 -3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 13 26.566 -0.753 -2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 13 25.273 -1.902 -2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.551 -3.246 -4.175 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.759 -3.717 -5.374 1.00 0.00 H new ATOM 178 N PRO A 14 23.418 2.298 -2.043 1.00 0.00 N ATOM 179 CA PRO A 14 22.898 3.669 -2.109 1.00 0.00 C ATOM 180 C PRO A 14 22.784 4.179 -3.545 1.00 0.00 C ATOM 181 O PRO A 14 23.729 4.758 -4.084 1.00 0.00 O ATOM 182 CB PRO A 14 23.936 4.482 -1.332 1.00 0.00 C ATOM 183 CG PRO A 14 24.548 3.504 -0.390 1.00 0.00 C ATOM 184 CD PRO A 14 24.557 2.185 -1.110 1.00 0.00 C ATOM 0 HA PRO A 14 21.890 3.742 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.684 4.912 -1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 14 23.472 5.311 -0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 14 25.559 3.806 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 14 23.973 3.440 0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.496 2.022 -1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.431 1.350 -0.421 1.00 0.00 H new ATOM 192 N GLY A 15 21.623 3.960 -4.156 1.00 0.00 N ATOM 193 CA GLY A 15 21.408 4.404 -5.522 1.00 0.00 C ATOM 194 C GLY A 15 21.071 3.265 -6.467 1.00 0.00 C ATOM 195 O GLY A 15 21.138 3.422 -7.685 1.00 0.00 O ATOM 0 H GLY A 15 20.828 3.484 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 15 20.599 5.134 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.304 4.912 -5.879 1.00 0.00 H new ATOM 199 N GLY A 16 20.707 2.114 -5.906 1.00 0.00 N ATOM 200 CA GLY A 16 20.364 0.964 -6.723 1.00 0.00 C ATOM 201 C GLY A 16 18.877 0.879 -7.013 1.00 0.00 C ATOM 202 O GLY A 16 18.235 1.891 -7.294 1.00 0.00 O ATOM 0 H GLY A 16 20.644 1.958 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 16 20.912 1.015 -7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.685 0.054 -6.216 1.00 0.00 H new ATOM 206 N SER A 17 18.330 -0.332 -6.944 1.00 0.00 N ATOM 207 CA SER A 17 16.910 -0.546 -7.203 1.00 0.00 C ATOM 208 C SER A 17 16.447 -1.889 -6.644 1.00 0.00 C ATOM 209 O SER A 17 17.076 -2.921 -6.879 1.00 0.00 O ATOM 210 CB SER A 17 16.627 -0.481 -8.705 1.00 0.00 C ATOM 211 OG SER A 17 17.147 -1.619 -9.372 1.00 0.00 O ATOM 0 H SER A 17 18.848 -1.179 -6.711 1.00 0.00 H new ATOM 0 HA SER A 17 16.354 0.246 -6.701 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.552 -0.417 -8.873 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.070 0.423 -9.123 1.00 0.00 H new ATOM 0 HG SER A 17 16.952 -1.554 -10.330 1.00 0.00 H new ATOM 217 N LEU A 18 15.341 -1.867 -5.904 1.00 0.00 N ATOM 218 CA LEU A 18 14.789 -3.083 -5.311 1.00 0.00 C ATOM 219 C LEU A 18 13.304 -3.223 -5.635 1.00 0.00 C ATOM 220 O LEU A 18 12.534 -2.278 -5.475 1.00 0.00 O ATOM 221 CB LEU A 18 14.987 -3.076 -3.792 1.00 0.00 C ATOM 222 CG LEU A 18 15.334 -4.434 -3.176 1.00 0.00 C ATOM 223 CD1 LEU A 18 15.839 -4.260 -1.752 1.00 0.00 C ATOM 224 CD2 LEU A 18 14.125 -5.358 -3.202 1.00 0.00 C ATOM 0 H LEU A 18 14.809 -1.021 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 18 15.321 -3.934 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.781 -2.370 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.075 -2.704 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 18 16.127 -4.888 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 18 16.081 -5.235 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.732 -3.635 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 18 15.067 -3.785 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.391 -6.318 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.312 -4.909 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.805 -5.509 -4.233 1.00 0.00 H new ATOM 236 N ARG A 19 12.907 -4.410 -6.082 1.00 0.00 N ATOM 237 CA ARG A 19 11.513 -4.670 -6.419 1.00 0.00 C ATOM 238 C ARG A 19 10.847 -5.515 -5.339 1.00 0.00 C ATOM 239 O ARG A 19 11.083 -6.720 -5.247 1.00 0.00 O ATOM 240 CB ARG A 19 11.409 -5.379 -7.771 1.00 0.00 C ATOM 241 CG ARG A 19 9.977 -5.638 -8.212 1.00 0.00 C ATOM 242 CD ARG A 19 9.925 -6.252 -9.601 1.00 0.00 C ATOM 243 NE ARG A 19 8.660 -5.974 -10.275 1.00 0.00 N ATOM 244 CZ ARG A 19 8.523 -5.929 -11.597 1.00 0.00 C ATOM 245 NH1 ARG A 19 9.571 -6.134 -12.384 1.00 0.00 N ATOM 246 NH2 ARG A 19 7.337 -5.677 -12.134 1.00 0.00 N ATOM 0 H ARG A 19 13.530 -5.206 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 19 10.997 -3.712 -6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.910 -4.776 -8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.941 -6.329 -7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.491 -6.305 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.418 -4.702 -8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.748 -5.863 -10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.067 -7.330 -9.526 1.00 0.00 H new ATOM 0 HE ARG A 19 7.835 -5.805 -9.700 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.486 -6.327 -11.976 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.462 -6.099 -13.398 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.529 -5.517 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.233 -5.643 -13.148 1.00 0.00 H new ATOM 260 N VAL A 20 10.014 -4.875 -4.526 1.00 0.00 N ATOM 261 CA VAL A 20 9.312 -5.568 -3.452 1.00 0.00 C ATOM 262 C VAL A 20 7.827 -5.714 -3.786 1.00 0.00 C ATOM 263 O VAL A 20 7.279 -4.919 -4.550 1.00 0.00 O ATOM 264 CB VAL A 20 9.487 -4.831 -2.105 1.00 0.00 C ATOM 265 CG1 VAL A 20 10.890 -4.251 -1.996 1.00 0.00 C ATOM 266 CG2 VAL A 20 8.440 -3.738 -1.932 1.00 0.00 C ATOM 0 H VAL A 20 9.808 -3.878 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 20 9.749 -6.562 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 20 9.345 -5.556 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.997 -3.735 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.622 -5.056 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.057 -3.546 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.590 -3.238 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.535 -3.012 -2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.444 -4.181 -1.958 1.00 0.00 H new ATOM 276 N SER A 21 7.182 -6.737 -3.228 1.00 0.00 N ATOM 277 CA SER A 21 5.765 -6.973 -3.499 1.00 0.00 C ATOM 278 C SER A 21 5.022 -7.474 -2.265 1.00 0.00 C ATOM 279 O SER A 21 5.633 -7.902 -1.287 1.00 0.00 O ATOM 280 CB SER A 21 5.608 -7.980 -4.639 1.00 0.00 C ATOM 281 OG SER A 21 6.045 -9.269 -4.244 1.00 0.00 O ATOM 0 H SER A 21 7.612 -7.409 -2.592 1.00 0.00 H new ATOM 0 HA SER A 21 5.326 -6.018 -3.787 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.563 -8.025 -4.947 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.182 -7.647 -5.504 1.00 0.00 H new ATOM 0 HG SER A 21 5.933 -9.895 -4.990 1.00 0.00 H new ATOM 287 N CYS A 22 3.692 -7.421 -2.330 1.00 0.00 N ATOM 288 CA CYS A 22 2.845 -7.871 -1.231 1.00 0.00 C ATOM 289 C CYS A 22 1.574 -8.525 -1.757 1.00 0.00 C ATOM 290 O CYS A 22 0.712 -7.859 -2.329 1.00 0.00 O ATOM 291 CB CYS A 22 2.486 -6.699 -0.316 1.00 0.00 C ATOM 292 SG CYS A 22 1.601 -7.187 1.201 1.00 0.00 S ATOM 0 H CYS A 22 3.178 -7.069 -3.137 1.00 0.00 H new ATOM 0 HA CYS A 22 3.405 -8.610 -0.658 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.400 -6.175 -0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.870 -5.992 -0.872 1.00 0.00 H new ATOM 297 N ALA A 23 1.467 -9.834 -1.562 1.00 0.00 N ATOM 298 CA ALA A 23 0.302 -10.579 -2.020 1.00 0.00 C ATOM 299 C ALA A 23 -0.824 -10.532 -0.992 1.00 0.00 C ATOM 300 O ALA A 23 -0.732 -11.140 0.073 1.00 0.00 O ATOM 301 CB ALA A 23 0.682 -12.021 -2.319 1.00 0.00 C ATOM 0 H ALA A 23 2.172 -10.400 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.058 -10.110 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.198 -12.566 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.446 -12.042 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.071 -12.490 -1.415 1.00 0.00 H new ATOM 307 N ALA A 24 -1.892 -9.812 -1.326 1.00 0.00 N ATOM 308 CA ALA A 24 -3.040 -9.694 -0.435 1.00 0.00 C ATOM 309 C ALA A 24 -4.060 -10.789 -0.724 1.00 0.00 C ATOM 310 O ALA A 24 -3.951 -11.502 -1.723 1.00 0.00 O ATOM 311 CB ALA A 24 -3.680 -8.319 -0.572 1.00 0.00 C ATOM 0 H ALA A 24 -1.985 -9.303 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.692 -9.813 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.535 -8.247 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.951 -7.551 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.013 -8.173 -1.600 1.00 0.00 H new ATOM 317 N SER A 25 -5.049 -10.921 0.153 1.00 0.00 N ATOM 318 CA SER A 25 -6.083 -11.937 -0.015 1.00 0.00 C ATOM 319 C SER A 25 -7.351 -11.557 0.742 1.00 0.00 C ATOM 320 O SER A 25 -7.395 -11.623 1.970 1.00 0.00 O ATOM 321 CB SER A 25 -5.573 -13.295 0.470 1.00 0.00 C ATOM 322 OG SER A 25 -5.369 -14.182 -0.617 1.00 0.00 O ATOM 0 H SER A 25 -5.157 -10.340 0.984 1.00 0.00 H new ATOM 0 HA SER A 25 -6.323 -12.003 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.639 -13.162 1.015 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.290 -13.728 1.167 1.00 0.00 H new ATOM 0 HG SER A 25 -5.041 -15.042 -0.280 1.00 0.00 H new ATOM 328 N GLY A 26 -8.383 -11.164 0.000 1.00 0.00 N ATOM 329 CA GLY A 26 -9.639 -10.785 0.621 1.00 0.00 C ATOM 330 C GLY A 26 -10.462 -9.846 -0.238 1.00 0.00 C ATOM 331 O GLY A 26 -11.686 -9.791 -0.107 1.00 0.00 O ATOM 0 H GLY A 26 -8.371 -11.102 -1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.221 -11.683 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.435 -10.308 1.580 1.00 0.00 H new ATOM 335 N PHE A 27 -9.796 -9.102 -1.118 1.00 0.00 N ATOM 336 CA PHE A 27 -10.486 -8.160 -1.995 1.00 0.00 C ATOM 337 C PHE A 27 -9.715 -7.950 -3.295 1.00 0.00 C ATOM 338 O PHE A 27 -8.783 -8.693 -3.604 1.00 0.00 O ATOM 339 CB PHE A 27 -10.693 -6.819 -1.277 1.00 0.00 C ATOM 340 CG PHE A 27 -9.420 -6.096 -0.917 1.00 0.00 C ATOM 341 CD1 PHE A 27 -8.605 -5.556 -1.900 1.00 0.00 C ATOM 342 CD2 PHE A 27 -9.045 -5.946 0.409 1.00 0.00 C ATOM 343 CE1 PHE A 27 -7.444 -4.889 -1.573 1.00 0.00 C ATOM 344 CE2 PHE A 27 -7.884 -5.276 0.743 1.00 0.00 C ATOM 345 CZ PHE A 27 -7.083 -4.746 -0.251 1.00 0.00 C ATOM 0 H PHE A 27 -8.784 -9.133 -1.242 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.459 -8.583 -2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.296 -6.171 -1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.266 -6.994 -0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.884 -5.660 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.667 -6.358 1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.818 -4.479 -2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.602 -5.166 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.176 -4.221 0.008 1.00 0.00 H new ATOM 355 N THR A 28 -10.104 -6.921 -4.044 1.00 0.00 N ATOM 356 CA THR A 28 -9.444 -6.596 -5.302 1.00 0.00 C ATOM 357 C THR A 28 -8.753 -5.239 -5.220 1.00 0.00 C ATOM 358 O THR A 28 -9.248 -4.316 -4.572 1.00 0.00 O ATOM 359 CB THR A 28 -10.435 -6.585 -6.477 1.00 0.00 C ATOM 360 OG1 THR A 28 -11.531 -7.467 -6.206 1.00 0.00 O ATOM 361 CG2 THR A 28 -9.745 -7.005 -7.766 1.00 0.00 C ATOM 0 H THR A 28 -10.874 -6.298 -3.800 1.00 0.00 H new ATOM 0 HA THR A 28 -8.701 -7.373 -5.478 1.00 0.00 H new ATOM 0 HB THR A 28 -10.812 -5.569 -6.597 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.157 -7.452 -6.960 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.464 -6.990 -8.585 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.931 -6.314 -7.985 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.344 -8.012 -7.653 1.00 0.00 H new ATOM 369 N PHE A 29 -7.600 -5.130 -5.872 1.00 0.00 N ATOM 370 CA PHE A 29 -6.828 -3.892 -5.865 1.00 0.00 C ATOM 371 C PHE A 29 -7.510 -2.793 -6.670 1.00 0.00 C ATOM 372 O PHE A 29 -7.519 -1.631 -6.261 1.00 0.00 O ATOM 373 CB PHE A 29 -5.428 -4.149 -6.415 1.00 0.00 C ATOM 374 CG PHE A 29 -4.492 -4.731 -5.398 1.00 0.00 C ATOM 375 CD1 PHE A 29 -4.689 -6.013 -4.913 1.00 0.00 C ATOM 376 CD2 PHE A 29 -3.420 -3.995 -4.926 1.00 0.00 C ATOM 377 CE1 PHE A 29 -3.831 -6.551 -3.975 1.00 0.00 C ATOM 378 CE2 PHE A 29 -2.558 -4.528 -3.989 1.00 0.00 C ATOM 379 CZ PHE A 29 -2.764 -5.808 -3.513 1.00 0.00 C ATOM 0 H PHE A 29 -7.179 -5.885 -6.413 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.759 -3.550 -4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.498 -4.827 -7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.013 -3.212 -6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.523 -6.598 -5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.256 -2.993 -5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.995 -7.552 -3.603 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.723 -3.945 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.091 -6.227 -2.780 1.00 0.00 H new ATOM 389 N SER A 30 -8.075 -3.158 -7.815 1.00 0.00 N ATOM 390 CA SER A 30 -8.754 -2.189 -8.670 1.00 0.00 C ATOM 391 C SER A 30 -10.146 -1.862 -8.130 1.00 0.00 C ATOM 392 O SER A 30 -11.059 -1.550 -8.894 1.00 0.00 O ATOM 393 CB SER A 30 -8.862 -2.725 -10.099 1.00 0.00 C ATOM 394 OG SER A 30 -8.915 -4.141 -10.112 1.00 0.00 O ATOM 0 H SER A 30 -8.077 -4.113 -8.173 1.00 0.00 H new ATOM 0 HA SER A 30 -8.163 -1.273 -8.676 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.755 -2.321 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.007 -2.385 -10.683 1.00 0.00 H new ATOM 0 HG SER A 30 -9.144 -4.452 -11.013 1.00 0.00 H new ATOM 400 N SER A 31 -10.298 -1.935 -6.811 1.00 0.00 N ATOM 401 CA SER A 31 -11.573 -1.646 -6.167 1.00 0.00 C ATOM 402 C SER A 31 -11.358 -1.101 -4.759 1.00 0.00 C ATOM 403 O SER A 31 -12.111 -0.246 -4.293 1.00 0.00 O ATOM 404 CB SER A 31 -12.439 -2.906 -6.110 1.00 0.00 C ATOM 405 OG SER A 31 -13.626 -2.676 -5.372 1.00 0.00 O ATOM 0 H SER A 31 -9.551 -2.193 -6.166 1.00 0.00 H new ATOM 0 HA SER A 31 -12.086 -0.888 -6.759 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.692 -3.223 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.875 -3.719 -5.653 1.00 0.00 H new ATOM 0 HG SER A 31 -14.163 -3.496 -5.352 1.00 0.00 H new ATOM 411 N TYR A 32 -10.323 -1.601 -4.086 1.00 0.00 N ATOM 412 CA TYR A 32 -10.010 -1.162 -2.732 1.00 0.00 C ATOM 413 C TYR A 32 -8.723 -0.348 -2.710 1.00 0.00 C ATOM 414 O TYR A 32 -7.867 -0.495 -3.584 1.00 0.00 O ATOM 415 CB TYR A 32 -9.877 -2.365 -1.799 1.00 0.00 C ATOM 416 CG TYR A 32 -11.205 -2.946 -1.369 1.00 0.00 C ATOM 417 CD1 TYR A 32 -11.951 -3.734 -2.235 1.00 0.00 C ATOM 418 CD2 TYR A 32 -11.713 -2.707 -0.098 1.00 0.00 C ATOM 419 CE1 TYR A 32 -13.165 -4.267 -1.851 1.00 0.00 C ATOM 420 CE2 TYR A 32 -12.927 -3.238 0.296 1.00 0.00 C ATOM 421 CZ TYR A 32 -13.649 -4.017 -0.584 1.00 0.00 C ATOM 422 OH TYR A 32 -14.859 -4.545 -0.195 1.00 0.00 O ATOM 0 H TYR A 32 -9.690 -2.309 -4.457 1.00 0.00 H new ATOM 0 HA TYR A 32 -10.828 -0.530 -2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.296 -3.140 -2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.316 -2.067 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.575 -3.934 -3.227 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.150 -2.097 0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.733 -4.876 -2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.308 -3.044 1.288 1.00 0.00 H new ATOM 0 HH TYR A 32 -15.053 -4.274 0.727 1.00 0.00 H new ATOM 432 N HIS A 33 -8.589 0.508 -1.704 1.00 0.00 N ATOM 433 CA HIS A 33 -7.405 1.343 -1.563 1.00 0.00 C ATOM 434 C HIS A 33 -6.315 0.606 -0.794 1.00 0.00 C ATOM 435 O HIS A 33 -6.581 -0.011 0.237 1.00 0.00 O ATOM 436 CB HIS A 33 -7.757 2.649 -0.847 1.00 0.00 C ATOM 437 CG HIS A 33 -9.129 3.160 -1.167 1.00 0.00 C ATOM 438 ND1 HIS A 33 -10.282 2.560 -0.705 1.00 0.00 N ATOM 439 CD2 HIS A 33 -9.530 4.218 -1.910 1.00 0.00 C ATOM 440 CE1 HIS A 33 -11.331 3.227 -1.151 1.00 0.00 C ATOM 441 NE2 HIS A 33 -10.901 4.237 -1.883 1.00 0.00 N ATOM 0 H HIS A 33 -9.288 0.641 -0.973 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.031 1.575 -2.560 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.678 2.496 0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.024 3.409 -1.116 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.890 4.917 -2.428 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.365 2.987 -0.951 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.493 4.922 -2.353 1.00 0.00 H new ATOM 450 N MET A 34 -5.089 0.674 -1.301 1.00 0.00 N ATOM 451 CA MET A 34 -3.960 0.013 -0.658 1.00 0.00 C ATOM 452 C MET A 34 -2.767 0.954 -0.572 1.00 0.00 C ATOM 453 O MET A 34 -2.748 2.005 -1.215 1.00 0.00 O ATOM 454 CB MET A 34 -3.580 -1.255 -1.420 1.00 0.00 C ATOM 455 CG MET A 34 -4.248 -2.506 -0.877 1.00 0.00 C ATOM 456 SD MET A 34 -3.300 -3.279 0.445 1.00 0.00 S ATOM 457 CE MET A 34 -2.737 -4.764 -0.376 1.00 0.00 C ATOM 0 H MET A 34 -4.852 1.180 -2.155 1.00 0.00 H new ATOM 0 HA MET A 34 -4.256 -0.264 0.354 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.849 -1.134 -2.469 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.498 -1.383 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.241 -2.251 -0.506 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.384 -3.222 -1.688 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.303 -5.443 0.358 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.580 -5.250 -0.867 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.984 -4.505 -1.120 1.00 0.00 H new ATOM 467 N ALA A 35 -1.775 0.583 0.233 1.00 0.00 N ATOM 468 CA ALA A 35 -0.596 1.419 0.401 1.00 0.00 C ATOM 469 C ALA A 35 0.618 0.622 0.870 1.00 0.00 C ATOM 470 O ALA A 35 0.497 -0.511 1.336 1.00 0.00 O ATOM 471 CB ALA A 35 -0.898 2.536 1.383 1.00 0.00 C ATOM 0 H ALA A 35 -1.766 -0.282 0.773 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.348 1.838 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.013 3.161 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.720 3.142 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.178 2.108 2.346 1.00 0.00 H new ATOM 477 N TRP A 36 1.788 1.243 0.744 1.00 0.00 N ATOM 478 CA TRP A 36 3.048 0.634 1.151 1.00 0.00 C ATOM 479 C TRP A 36 3.649 1.398 2.327 1.00 0.00 C ATOM 480 O TRP A 36 4.036 2.561 2.185 1.00 0.00 O ATOM 481 CB TRP A 36 4.037 0.640 -0.018 1.00 0.00 C ATOM 482 CG TRP A 36 4.109 -0.657 -0.765 1.00 0.00 C ATOM 483 CD1 TRP A 36 3.689 -0.886 -2.044 1.00 0.00 C ATOM 484 CD2 TRP A 36 4.638 -1.898 -0.287 1.00 0.00 C ATOM 485 NE1 TRP A 36 3.931 -2.193 -2.392 1.00 0.00 N ATOM 486 CE2 TRP A 36 4.510 -2.835 -1.330 1.00 0.00 C ATOM 487 CE3 TRP A 36 5.210 -2.308 0.920 1.00 0.00 C ATOM 488 CZ2 TRP A 36 4.934 -4.155 -1.201 1.00 0.00 C ATOM 489 CZ3 TRP A 36 5.628 -3.621 1.046 1.00 0.00 C ATOM 490 CH2 TRP A 36 5.489 -4.530 -0.010 1.00 0.00 C ATOM 0 H TRP A 36 1.888 2.182 0.357 1.00 0.00 H new ATOM 0 HA TRP A 36 2.853 -0.395 1.454 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.757 1.432 -0.713 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.029 0.884 0.361 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.233 -0.148 -2.688 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.715 -2.616 -3.294 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.324 -1.613 1.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.828 -4.858 -2.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.069 -3.951 1.975 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.827 -5.548 0.119 1.00 0.00 H new ATOM 501 N VAL A 37 3.726 0.742 3.484 1.00 0.00 N ATOM 502 CA VAL A 37 4.283 1.355 4.686 1.00 0.00 C ATOM 503 C VAL A 37 5.681 0.811 4.977 1.00 0.00 C ATOM 504 O VAL A 37 6.091 -0.198 4.405 1.00 0.00 O ATOM 505 CB VAL A 37 3.381 1.122 5.916 1.00 0.00 C ATOM 506 CG1 VAL A 37 2.159 2.023 5.864 1.00 0.00 C ATOM 507 CG2 VAL A 37 2.973 -0.338 6.019 1.00 0.00 C ATOM 0 H VAL A 37 3.408 -0.218 3.613 1.00 0.00 H new ATOM 0 HA VAL A 37 4.342 2.427 4.496 1.00 0.00 H new ATOM 0 HB VAL A 37 3.952 1.376 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.536 1.843 6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.476 3.066 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.586 1.808 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.338 -0.477 6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.425 -0.627 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.864 -0.959 6.115 1.00 0.00 H new ATOM 517 N ARG A 38 6.413 1.488 5.861 1.00 0.00 N ATOM 518 CA ARG A 38 7.768 1.068 6.215 1.00 0.00 C ATOM 519 C ARG A 38 8.056 1.332 7.693 1.00 0.00 C ATOM 520 O ARG A 38 7.494 2.250 8.289 1.00 0.00 O ATOM 521 CB ARG A 38 8.788 1.797 5.329 1.00 0.00 C ATOM 522 CG ARG A 38 10.038 2.263 6.062 1.00 0.00 C ATOM 523 CD ARG A 38 10.706 3.422 5.339 1.00 0.00 C ATOM 524 NE ARG A 38 10.145 4.710 5.739 1.00 0.00 N ATOM 525 CZ ARG A 38 10.456 5.865 5.159 1.00 0.00 C ATOM 526 NH1 ARG A 38 11.311 5.893 4.143 1.00 0.00 N ATOM 527 NH2 ARG A 38 9.911 6.993 5.592 1.00 0.00 N ATOM 0 H ARG A 38 6.092 2.327 6.344 1.00 0.00 H new ATOM 0 HA ARG A 38 7.853 -0.005 6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.084 1.134 4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.304 2.662 4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.775 2.567 7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.740 1.434 6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.776 3.412 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.590 3.294 4.263 1.00 0.00 H new ATOM 0 HE ARG A 38 9.475 4.724 6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.731 5.027 3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.548 6.781 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.253 6.975 6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.150 7.879 5.146 1.00 0.00 H new ATOM 541 N GLN A 39 8.939 0.524 8.276 1.00 0.00 N ATOM 542 CA GLN A 39 9.299 0.674 9.682 1.00 0.00 C ATOM 543 C GLN A 39 10.780 0.385 9.913 1.00 0.00 C ATOM 544 O GLN A 39 11.201 -0.772 9.918 1.00 0.00 O ATOM 545 CB GLN A 39 8.456 -0.262 10.550 1.00 0.00 C ATOM 546 CG GLN A 39 8.880 -0.285 12.013 1.00 0.00 C ATOM 547 CD GLN A 39 7.745 -0.665 12.944 1.00 0.00 C ATOM 548 OE1 GLN A 39 6.546 -0.177 12.648 1.00 0.00 O flip ATOM 549 NE2 GLN A 39 7.944 -1.391 13.919 1.00 0.00 N flip ATOM 0 H GLN A 39 9.417 -0.239 7.797 1.00 0.00 H new ATOM 0 HA GLN A 39 9.102 1.709 9.962 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.411 0.042 10.488 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.519 -1.273 10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.700 -0.992 12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.261 0.697 12.292 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.882 -1.744 14.109 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.171 -1.639 14.536 1.00 0.00 H new ATOM 558 N ALA A 40 11.557 1.439 10.133 1.00 0.00 N ATOM 559 CA ALA A 40 12.982 1.294 10.397 1.00 0.00 C ATOM 560 C ALA A 40 13.186 0.763 11.815 1.00 0.00 C ATOM 561 O ALA A 40 12.232 0.729 12.589 1.00 0.00 O ATOM 562 CB ALA A 40 13.686 2.633 10.212 1.00 0.00 C ATOM 0 H ALA A 40 11.224 2.403 10.134 1.00 0.00 H new ATOM 0 HA ALA A 40 13.414 0.583 9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.751 2.515 10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.545 2.980 9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.266 3.363 10.904 1.00 0.00 H new ATOM 618 N LEU A 45 6.140 2.735 12.022 1.00 0.00 N ATOM 619 CA LEU A 45 5.537 2.552 10.704 1.00 0.00 C ATOM 620 C LEU A 45 5.218 3.893 10.056 1.00 0.00 C ATOM 621 O LEU A 45 4.804 4.840 10.724 1.00 0.00 O ATOM 622 CB LEU A 45 4.268 1.697 10.789 1.00 0.00 C ATOM 623 CG LEU A 45 3.963 0.835 9.555 1.00 0.00 C ATOM 624 CD1 LEU A 45 5.237 0.249 8.969 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.989 -0.273 9.918 1.00 0.00 C ATOM 0 HA LEU A 45 6.265 2.030 10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.351 1.042 11.656 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.419 2.356 10.968 1.00 0.00 H new ATOM 0 HG LEU A 45 3.507 1.473 8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.991 -0.357 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.906 1.057 8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.728 -0.374 9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.780 -0.878 9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.426 -0.902 10.694 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.061 0.164 10.286 1.00 0.00 H new ATOM 637 N GLU A 46 5.414 3.959 8.748 1.00 0.00 N ATOM 638 CA GLU A 46 5.150 5.173 7.990 1.00 0.00 C ATOM 639 C GLU A 46 4.562 4.838 6.632 1.00 0.00 C ATOM 640 O GLU A 46 5.071 3.971 5.923 1.00 0.00 O ATOM 641 CB GLU A 46 6.435 5.980 7.792 1.00 0.00 C ATOM 642 CG GLU A 46 6.322 7.043 6.708 1.00 0.00 C ATOM 643 CD GLU A 46 5.808 8.367 7.239 1.00 0.00 C ATOM 644 OE1 GLU A 46 4.606 8.448 7.569 1.00 0.00 O ATOM 645 OE2 GLU A 46 6.608 9.322 7.326 1.00 0.00 O ATOM 0 H GLU A 46 5.757 3.180 8.186 1.00 0.00 H new ATOM 0 HA GLU A 46 4.435 5.768 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.703 6.459 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.247 5.299 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.299 7.195 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.654 6.687 5.924 1.00 0.00 H new ATOM 652 N TRP A 47 3.506 5.542 6.259 1.00 0.00 N ATOM 653 CA TRP A 47 2.882 5.320 4.968 1.00 0.00 C ATOM 654 C TRP A 47 3.725 5.973 3.875 1.00 0.00 C ATOM 655 O TRP A 47 3.788 7.197 3.778 1.00 0.00 O ATOM 656 CB TRP A 47 1.459 5.877 4.939 1.00 0.00 C ATOM 657 CG TRP A 47 0.983 6.127 3.546 1.00 0.00 C ATOM 658 CD1 TRP A 47 0.659 5.186 2.618 1.00 0.00 C ATOM 659 CD2 TRP A 47 0.813 7.397 2.911 1.00 0.00 C ATOM 660 NE1 TRP A 47 0.295 5.789 1.445 1.00 0.00 N ATOM 661 CE2 TRP A 47 0.380 7.150 1.599 1.00 0.00 C ATOM 662 CE3 TRP A 47 0.985 8.718 3.327 1.00 0.00 C ATOM 663 CZ2 TRP A 47 0.115 8.178 0.697 1.00 0.00 C ATOM 664 CZ3 TRP A 47 0.724 9.737 2.434 1.00 0.00 C ATOM 665 CH2 TRP A 47 0.293 9.462 1.131 1.00 0.00 C ATOM 0 H TRP A 47 3.067 6.266 6.827 1.00 0.00 H new ATOM 0 HA TRP A 47 2.824 4.246 4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.785 5.176 5.432 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.422 6.807 5.507 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.685 4.119 2.783 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.007 5.305 0.594 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.317 8.939 4.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -0.219 7.968 -0.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 0.854 10.763 2.745 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.097 10.281 0.455 1.00 0.00 H new ATOM 676 N VAL A 48 4.382 5.150 3.070 1.00 0.00 N ATOM 677 CA VAL A 48 5.235 5.650 1.998 1.00 0.00 C ATOM 678 C VAL A 48 4.425 6.039 0.763 1.00 0.00 C ATOM 679 O VAL A 48 4.553 7.154 0.261 1.00 0.00 O ATOM 680 CB VAL A 48 6.304 4.605 1.605 1.00 0.00 C ATOM 681 CG1 VAL A 48 6.893 4.902 0.230 1.00 0.00 C ATOM 682 CG2 VAL A 48 7.402 4.549 2.655 1.00 0.00 C ATOM 0 H VAL A 48 4.342 4.133 3.138 1.00 0.00 H new ATOM 0 HA VAL A 48 5.730 6.543 2.381 1.00 0.00 H new ATOM 0 HB VAL A 48 5.817 3.631 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.641 4.148 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.100 4.883 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.359 5.887 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.147 3.808 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.876 5.527 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.972 4.271 3.617 1.00 0.00 H new ATOM 692 N SER A 49 3.608 5.120 0.260 1.00 0.00 N ATOM 693 CA SER A 49 2.815 5.408 -0.940 1.00 0.00 C ATOM 694 C SER A 49 1.416 4.804 -0.884 1.00 0.00 C ATOM 695 O SER A 49 1.191 3.791 -0.230 1.00 0.00 O ATOM 696 CB SER A 49 3.539 4.886 -2.179 1.00 0.00 C ATOM 697 OG SER A 49 4.943 4.923 -2.008 1.00 0.00 O ATOM 0 H SER A 49 3.475 4.187 0.651 1.00 0.00 H new ATOM 0 HA SER A 49 2.702 6.491 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.222 3.863 -2.384 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.260 5.486 -3.045 1.00 0.00 H new ATOM 0 HG SER A 49 5.314 5.680 -2.508 1.00 0.00 H new ATOM 703 N THR A 50 0.481 5.436 -1.598 1.00 0.00 N ATOM 704 CA THR A 50 -0.905 4.969 -1.659 1.00 0.00 C ATOM 705 C THR A 50 -1.443 5.087 -3.085 1.00 0.00 C ATOM 706 O THR A 50 -1.247 6.106 -3.750 1.00 0.00 O ATOM 707 CB THR A 50 -1.822 5.748 -0.677 1.00 0.00 C ATOM 708 OG1 THR A 50 -2.501 4.832 0.187 1.00 0.00 O ATOM 709 CG2 THR A 50 -2.850 6.606 -1.399 1.00 0.00 C ATOM 0 H THR A 50 0.661 6.278 -2.145 1.00 0.00 H new ATOM 0 HA THR A 50 -0.910 3.922 -1.357 1.00 0.00 H new ATOM 0 HB THR A 50 -1.179 6.412 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.679 5.265 1.048 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.465 7.129 -0.667 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.339 7.333 -2.030 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.484 5.971 -2.018 1.00 0.00 H new ATOM 717 N ILE A 51 -2.111 4.039 -3.552 1.00 0.00 N ATOM 718 CA ILE A 51 -2.667 4.032 -4.901 1.00 0.00 C ATOM 719 C ILE A 51 -4.192 3.997 -4.875 1.00 0.00 C ATOM 720 O ILE A 51 -4.796 3.333 -4.032 1.00 0.00 O ATOM 721 CB ILE A 51 -2.142 2.833 -5.717 1.00 0.00 C ATOM 722 CG1 ILE A 51 -2.612 2.928 -7.168 1.00 0.00 C ATOM 723 CG2 ILE A 51 -2.591 1.522 -5.090 1.00 0.00 C ATOM 724 CD1 ILE A 51 -1.485 2.830 -8.171 1.00 0.00 C ATOM 0 H ILE A 51 -2.281 3.186 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.344 4.956 -5.380 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.052 2.859 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.332 2.133 -7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.135 3.873 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.211 0.688 -5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.204 1.454 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.680 1.484 -5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.889 2.905 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.777 3.641 -8.003 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.976 1.873 -8.054 1.00 0.00 H new ATOM 736 N ASN A 52 -4.809 4.719 -5.806 1.00 0.00 N ATOM 737 CA ASN A 52 -6.263 4.772 -5.898 1.00 0.00 C ATOM 738 C ASN A 52 -6.758 3.980 -7.107 1.00 0.00 C ATOM 739 O ASN A 52 -6.213 4.106 -8.204 1.00 0.00 O ATOM 740 CB ASN A 52 -6.737 6.224 -5.994 1.00 0.00 C ATOM 741 CG ASN A 52 -8.137 6.341 -6.567 1.00 0.00 C ATOM 742 OD1 ASN A 52 -8.316 6.468 -7.778 1.00 0.00 O ATOM 743 ND2 ASN A 52 -9.139 6.296 -5.696 1.00 0.00 N ATOM 0 H ASN A 52 -4.323 5.276 -6.508 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.678 4.323 -4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.715 6.677 -5.003 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.044 6.789 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.103 6.368 -6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.945 6.190 -4.700 1.00 0.00 H new ATOM 750 N PRO A 53 -7.801 3.150 -6.924 1.00 0.00 N ATOM 751 CA PRO A 53 -8.362 2.338 -8.006 1.00 0.00 C ATOM 752 C PRO A 53 -9.250 3.153 -8.941 1.00 0.00 C ATOM 753 O PRO A 53 -10.048 3.976 -8.494 1.00 0.00 O ATOM 754 CB PRO A 53 -9.191 1.295 -7.260 1.00 0.00 C ATOM 755 CG PRO A 53 -9.625 1.985 -6.013 1.00 0.00 C ATOM 756 CD PRO A 53 -8.514 2.935 -5.648 1.00 0.00 C ATOM 0 HA PRO A 53 -7.588 1.915 -8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.047 0.970 -7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.602 0.405 -7.037 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.560 2.522 -6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.801 1.267 -5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.903 3.870 -5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.857 2.510 -4.889 1.00 0.00 H new ATOM 764 N GLY A 54 -9.106 2.916 -10.242 1.00 0.00 N ATOM 765 CA GLY A 54 -9.902 3.634 -11.218 1.00 0.00 C ATOM 766 C GLY A 54 -9.096 4.659 -11.990 1.00 0.00 C ATOM 767 O GLY A 54 -8.372 4.313 -12.924 1.00 0.00 O ATOM 0 H GLY A 54 -8.452 2.240 -10.636 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.341 2.922 -11.917 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.727 4.134 -10.711 1.00 0.00 H new ATOM 771 N ASP A 55 -9.225 5.923 -11.600 1.00 0.00 N ATOM 772 CA ASP A 55 -8.509 7.009 -12.261 1.00 0.00 C ATOM 773 C ASP A 55 -7.000 6.794 -12.199 1.00 0.00 C ATOM 774 O ASP A 55 -6.344 6.635 -13.229 1.00 0.00 O ATOM 775 CB ASP A 55 -8.869 8.350 -11.616 1.00 0.00 C ATOM 776 CG ASP A 55 -9.704 9.228 -12.529 1.00 0.00 C ATOM 777 OD1 ASP A 55 -10.107 8.750 -13.610 1.00 0.00 O ATOM 778 OD2 ASP A 55 -9.955 10.396 -12.161 1.00 0.00 O ATOM 0 H ASP A 55 -9.820 6.221 -10.827 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.810 7.020 -13.308 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.416 8.169 -10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.954 8.878 -11.347 1.00 0.00 H new ATOM 783 N GLY A 56 -6.454 6.791 -10.986 1.00 0.00 N ATOM 784 CA GLY A 56 -5.027 6.595 -10.817 1.00 0.00 C ATOM 785 C GLY A 56 -4.404 7.607 -9.872 1.00 0.00 C ATOM 786 O GLY A 56 -3.181 7.655 -9.731 1.00 0.00 O ATOM 0 H GLY A 56 -6.975 6.921 -10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.845 5.590 -10.437 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.538 6.662 -11.789 1.00 0.00 H new ATOM 790 N SER A 57 -5.243 8.412 -9.222 1.00 0.00 N ATOM 791 CA SER A 57 -4.765 9.421 -8.284 1.00 0.00 C ATOM 792 C SER A 57 -3.822 8.797 -7.263 1.00 0.00 C ATOM 793 O SER A 57 -4.231 7.962 -6.455 1.00 0.00 O ATOM 794 CB SER A 57 -5.943 10.083 -7.568 1.00 0.00 C ATOM 795 OG SER A 57 -6.596 11.015 -8.413 1.00 0.00 O ATOM 0 H SER A 57 -6.257 8.383 -9.329 1.00 0.00 H new ATOM 0 HA SER A 57 -4.221 10.180 -8.846 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.652 9.320 -7.246 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.589 10.588 -6.669 1.00 0.00 H new ATOM 0 HG SER A 57 -7.346 11.423 -7.932 1.00 0.00 H new ATOM 801 N THR A 58 -2.555 9.192 -7.316 1.00 0.00 N ATOM 802 CA THR A 58 -1.554 8.655 -6.405 1.00 0.00 C ATOM 803 C THR A 58 -1.122 9.677 -5.363 1.00 0.00 C ATOM 804 O THR A 58 -1.031 10.873 -5.643 1.00 0.00 O ATOM 805 CB THR A 58 -0.311 8.170 -7.170 1.00 0.00 C ATOM 806 OG1 THR A 58 -0.386 8.586 -8.539 1.00 0.00 O ATOM 807 CG2 THR A 58 -0.193 6.657 -7.101 1.00 0.00 C ATOM 0 H THR A 58 -2.198 9.880 -7.979 1.00 0.00 H new ATOM 0 HA THR A 58 -2.024 7.813 -5.896 1.00 0.00 H new ATOM 0 HB THR A 58 0.571 8.610 -6.705 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.409 8.275 -9.019 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.693 6.336 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.109 6.346 -6.060 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.079 6.202 -7.545 1.00 0.00 H new ATOM 815 N TYR A 59 -0.843 9.186 -4.160 1.00 0.00 N ATOM 816 CA TYR A 59 -0.402 10.033 -3.059 1.00 0.00 C ATOM 817 C TYR A 59 0.782 9.386 -2.351 1.00 0.00 C ATOM 818 O TYR A 59 0.820 8.169 -2.179 1.00 0.00 O ATOM 819 CB TYR A 59 -1.542 10.263 -2.063 1.00 0.00 C ATOM 820 CG TYR A 59 -2.872 10.562 -2.716 1.00 0.00 C ATOM 821 CD1 TYR A 59 -3.739 9.538 -3.071 1.00 0.00 C ATOM 822 CD2 TYR A 59 -3.258 11.871 -2.979 1.00 0.00 C ATOM 823 CE1 TYR A 59 -4.954 9.807 -3.670 1.00 0.00 C ATOM 824 CE2 TYR A 59 -4.472 12.149 -3.577 1.00 0.00 C ATOM 825 CZ TYR A 59 -5.317 11.115 -3.921 1.00 0.00 C ATOM 826 OH TYR A 59 -6.526 11.386 -4.517 1.00 0.00 O ATOM 0 H TYR A 59 -0.916 8.197 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.097 10.998 -3.465 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.647 9.378 -1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.276 11.091 -1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.459 8.513 -2.876 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.599 12.684 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.617 8.998 -3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.758 13.172 -3.774 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.629 12.355 -4.622 1.00 0.00 H new ATOM 836 N TYR A 60 1.754 10.199 -1.952 1.00 0.00 N ATOM 837 CA TYR A 60 2.939 9.687 -1.273 1.00 0.00 C ATOM 838 C TYR A 60 3.200 10.448 0.024 1.00 0.00 C ATOM 839 O TYR A 60 2.546 11.451 0.310 1.00 0.00 O ATOM 840 CB TYR A 60 4.162 9.784 -2.187 1.00 0.00 C ATOM 841 CG TYR A 60 4.135 8.825 -3.359 1.00 0.00 C ATOM 842 CD1 TYR A 60 3.191 8.954 -4.372 1.00 0.00 C ATOM 843 CD2 TYR A 60 5.060 7.795 -3.457 1.00 0.00 C ATOM 844 CE1 TYR A 60 3.171 8.085 -5.446 1.00 0.00 C ATOM 845 CE2 TYR A 60 5.046 6.921 -4.527 1.00 0.00 C ATOM 846 CZ TYR A 60 4.100 7.071 -5.519 1.00 0.00 C ATOM 847 OH TYR A 60 4.084 6.203 -6.587 1.00 0.00 O ATOM 0 H TYR A 60 1.745 11.210 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 60 2.758 8.640 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.239 10.803 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.059 9.595 -1.597 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.460 9.748 -4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.804 7.675 -2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.431 8.200 -6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.773 6.124 -4.586 1.00 0.00 H new ATOM 0 HH TYR A 60 4.938 6.256 -7.064 1.00 0.00 H new ATOM 857 N ALA A 61 4.161 9.961 0.800 1.00 0.00 N ATOM 858 CA ALA A 61 4.521 10.587 2.068 1.00 0.00 C ATOM 859 C ALA A 61 5.350 11.849 1.844 1.00 0.00 C ATOM 860 O ALA A 61 5.997 12.344 2.769 1.00 0.00 O ATOM 861 CB ALA A 61 5.279 9.599 2.947 1.00 0.00 C ATOM 0 H ALA A 61 4.708 9.131 0.572 1.00 0.00 H new ATOM 0 HA ALA A 61 3.602 10.877 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.542 10.078 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.650 8.731 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.188 9.280 2.436 1.00 0.00 H new ATOM 867 N ASP A 62 5.318 12.359 0.609 1.00 0.00 N ATOM 868 CA ASP A 62 6.055 13.568 0.230 1.00 0.00 C ATOM 869 C ASP A 62 7.547 13.289 0.069 1.00 0.00 C ATOM 870 O ASP A 62 8.124 13.554 -0.986 1.00 0.00 O ATOM 871 CB ASP A 62 5.836 14.687 1.253 1.00 0.00 C ATOM 872 CG ASP A 62 5.623 16.037 0.594 1.00 0.00 C ATOM 873 OD1 ASP A 62 4.761 16.128 -0.305 1.00 0.00 O ATOM 874 OD2 ASP A 62 6.318 16.999 0.978 1.00 0.00 O ATOM 0 H ASP A 62 4.782 11.946 -0.154 1.00 0.00 H new ATOM 0 HA ASP A 62 5.665 13.894 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.971 14.447 1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.698 14.742 1.918 1.00 0.00 H new ATOM 879 N SER A 63 8.169 12.761 1.117 1.00 0.00 N ATOM 880 CA SER A 63 9.597 12.457 1.087 1.00 0.00 C ATOM 881 C SER A 63 9.868 11.143 0.361 1.00 0.00 C ATOM 882 O SER A 63 10.948 10.565 0.494 1.00 0.00 O ATOM 883 CB SER A 63 10.152 12.388 2.509 1.00 0.00 C ATOM 884 OG SER A 63 11.531 12.712 2.536 1.00 0.00 O ATOM 0 H SER A 63 7.708 12.534 1.998 1.00 0.00 H new ATOM 0 HA SER A 63 10.098 13.257 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.601 13.076 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.003 11.386 2.912 1.00 0.00 H new ATOM 0 HG SER A 63 12.004 12.186 1.858 1.00 0.00 H new ATOM 890 N VAL A 64 8.889 10.675 -0.407 1.00 0.00 N ATOM 891 CA VAL A 64 9.035 9.429 -1.150 1.00 0.00 C ATOM 892 C VAL A 64 8.311 9.493 -2.490 1.00 0.00 C ATOM 893 O VAL A 64 8.307 8.521 -3.246 1.00 0.00 O ATOM 894 CB VAL A 64 8.497 8.230 -0.350 1.00 0.00 C ATOM 895 CG1 VAL A 64 9.469 7.839 0.749 1.00 0.00 C ATOM 896 CG2 VAL A 64 7.130 8.548 0.230 1.00 0.00 C ATOM 0 H VAL A 64 7.989 11.138 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 64 10.103 9.294 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 64 8.393 7.383 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.070 6.989 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.427 7.566 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.609 8.681 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.765 7.689 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.208 9.410 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.435 8.774 -0.579 1.00 0.00 H new ATOM 906 N LYS A 65 7.702 10.640 -2.782 1.00 0.00 N ATOM 907 CA LYS A 65 6.980 10.818 -4.038 1.00 0.00 C ATOM 908 C LYS A 65 7.899 10.542 -5.223 1.00 0.00 C ATOM 909 O LYS A 65 7.506 9.889 -6.190 1.00 0.00 O ATOM 910 CB LYS A 65 6.405 12.233 -4.134 1.00 0.00 C ATOM 911 CG LYS A 65 5.470 12.430 -5.318 1.00 0.00 C ATOM 912 CD LYS A 65 4.025 12.143 -4.945 1.00 0.00 C ATOM 913 CE LYS A 65 3.099 13.261 -5.397 1.00 0.00 C ATOM 914 NZ LYS A 65 2.537 13.003 -6.752 1.00 0.00 N ATOM 0 H LYS A 65 7.694 11.455 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 65 6.154 10.107 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.866 12.461 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.226 12.946 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.555 13.453 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.773 11.774 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.711 11.203 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.945 12.017 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.285 13.370 -4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.645 14.204 -5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.911 13.788 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.313 12.925 -7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.994 12.116 -6.740 1.00 0.00 H new ATOM 928 N GLY A 66 9.131 11.033 -5.130 1.00 0.00 N ATOM 929 CA GLY A 66 10.102 10.821 -6.187 1.00 0.00 C ATOM 930 C GLY A 66 11.160 9.819 -5.780 1.00 0.00 C ATOM 931 O GLY A 66 12.255 9.790 -6.342 1.00 0.00 O ATOM 0 H GLY A 66 9.475 11.576 -4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.593 10.469 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.577 11.769 -6.441 1.00 0.00 H new ATOM 935 N ARG A 67 10.829 9.001 -4.786 1.00 0.00 N ATOM 936 CA ARG A 67 11.750 7.994 -4.277 1.00 0.00 C ATOM 937 C ARG A 67 11.259 6.587 -4.594 1.00 0.00 C ATOM 938 O ARG A 67 11.920 5.833 -5.309 1.00 0.00 O ATOM 939 CB ARG A 67 11.909 8.155 -2.767 1.00 0.00 C ATOM 940 CG ARG A 67 12.981 7.263 -2.171 1.00 0.00 C ATOM 941 CD ARG A 67 14.190 8.074 -1.742 1.00 0.00 C ATOM 942 NE ARG A 67 13.885 8.944 -0.609 1.00 0.00 N ATOM 943 CZ ARG A 67 13.704 8.503 0.631 1.00 0.00 C ATOM 944 NH1 ARG A 67 13.803 7.209 0.899 1.00 0.00 N ATOM 945 NH2 ARG A 67 13.419 9.358 1.605 1.00 0.00 N ATOM 0 H ARG A 67 9.924 9.017 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 67 12.714 8.138 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.148 9.195 -2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.956 7.936 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.576 6.726 -1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.283 6.513 -2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.003 7.400 -1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.539 8.677 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 67 13.807 9.947 -0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.019 6.549 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.664 6.873 1.852 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.339 10.354 1.402 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.280 9.019 2.557 1.00 0.00 H new ATOM 959 N PHE A 68 10.099 6.238 -4.050 1.00 0.00 N ATOM 960 CA PHE A 68 9.519 4.919 -4.265 1.00 0.00 C ATOM 961 C PHE A 68 8.362 4.987 -5.256 1.00 0.00 C ATOM 962 O PHE A 68 7.738 6.034 -5.427 1.00 0.00 O ATOM 963 CB PHE A 68 9.029 4.335 -2.937 1.00 0.00 C ATOM 964 CG PHE A 68 10.127 4.045 -1.953 1.00 0.00 C ATOM 965 CD1 PHE A 68 10.998 2.986 -2.152 1.00 0.00 C ATOM 966 CD2 PHE A 68 10.283 4.830 -0.821 1.00 0.00 C ATOM 967 CE1 PHE A 68 12.005 2.718 -1.243 1.00 0.00 C ATOM 968 CE2 PHE A 68 11.287 4.565 0.091 1.00 0.00 C ATOM 969 CZ PHE A 68 12.148 3.509 -0.121 1.00 0.00 C ATOM 0 H PHE A 68 9.541 6.852 -3.456 1.00 0.00 H new ATOM 0 HA PHE A 68 10.293 4.273 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.324 5.032 -2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.482 3.414 -3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.889 2.363 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.612 5.659 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.679 1.891 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.397 5.184 0.969 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.934 3.301 0.590 1.00 0.00 H new ATOM 979 N THR A 69 8.080 3.862 -5.905 1.00 0.00 N ATOM 980 CA THR A 69 6.995 3.785 -6.878 1.00 0.00 C ATOM 981 C THR A 69 5.982 2.726 -6.471 1.00 0.00 C ATOM 982 O THR A 69 6.309 1.547 -6.376 1.00 0.00 O ATOM 983 CB THR A 69 7.520 3.462 -8.292 1.00 0.00 C ATOM 984 OG1 THR A 69 8.297 4.559 -8.787 1.00 0.00 O ATOM 985 CG2 THR A 69 6.372 3.175 -9.252 1.00 0.00 C ATOM 0 H THR A 69 8.589 2.988 -5.774 1.00 0.00 H new ATOM 0 HA THR A 69 6.516 4.764 -6.898 1.00 0.00 H new ATOM 0 HB THR A 69 8.144 2.571 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.629 4.346 -9.684 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.772 2.951 -10.241 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.800 2.321 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.722 4.048 -9.313 1.00 0.00 H new ATOM 993 N ILE A 70 4.753 3.157 -6.228 1.00 0.00 N ATOM 994 CA ILE A 70 3.692 2.250 -5.815 1.00 0.00 C ATOM 995 C ILE A 70 2.781 1.898 -6.990 1.00 0.00 C ATOM 996 O ILE A 70 2.145 2.764 -7.593 1.00 0.00 O ATOM 997 CB ILE A 70 2.851 2.874 -4.678 1.00 0.00 C ATOM 998 CG1 ILE A 70 1.815 1.870 -4.150 1.00 0.00 C ATOM 999 CG2 ILE A 70 2.185 4.162 -5.154 1.00 0.00 C ATOM 1000 CD1 ILE A 70 0.585 2.508 -3.537 1.00 0.00 C ATOM 0 H ILE A 70 4.465 4.132 -6.310 1.00 0.00 H new ATOM 0 HA ILE A 70 4.164 1.337 -5.451 1.00 0.00 H new ATOM 0 HB ILE A 70 3.516 3.124 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.504 1.222 -4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.290 1.234 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.597 4.589 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.950 4.875 -5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.532 3.943 -5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.094 1.729 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.881 3.133 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.082 3.121 -4.285 1.00 0.00 H new ATOM 1012 N SER A 71 2.742 0.610 -7.316 1.00 0.00 N ATOM 1013 CA SER A 71 1.931 0.116 -8.419 1.00 0.00 C ATOM 1014 C SER A 71 1.348 -1.250 -8.079 1.00 0.00 C ATOM 1015 O SER A 71 1.783 -1.900 -7.128 1.00 0.00 O ATOM 1016 CB SER A 71 2.768 0.025 -9.696 1.00 0.00 C ATOM 1017 OG SER A 71 2.828 1.278 -10.356 1.00 0.00 O ATOM 0 H SER A 71 3.268 -0.114 -6.826 1.00 0.00 H new ATOM 0 HA SER A 71 1.112 0.816 -8.585 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.776 -0.309 -9.451 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.338 -0.721 -10.364 1.00 0.00 H new ATOM 0 HG SER A 71 2.644 1.995 -9.714 1.00 0.00 H new ATOM 1023 N ARG A 72 0.359 -1.680 -8.854 1.00 0.00 N ATOM 1024 CA ARG A 72 -0.285 -2.968 -8.624 1.00 0.00 C ATOM 1025 C ARG A 72 -1.043 -3.437 -9.864 1.00 0.00 C ATOM 1026 O ARG A 72 -1.209 -2.683 -10.824 1.00 0.00 O ATOM 1027 CB ARG A 72 -1.242 -2.874 -7.434 1.00 0.00 C ATOM 1028 CG ARG A 72 -1.875 -1.503 -7.267 1.00 0.00 C ATOM 1029 CD ARG A 72 -3.381 -1.555 -7.463 1.00 0.00 C ATOM 1030 NE ARG A 72 -3.783 -1.019 -8.760 1.00 0.00 N ATOM 1031 CZ ARG A 72 -4.637 -0.012 -8.909 1.00 0.00 C ATOM 1032 NH1 ARG A 72 -5.177 0.569 -7.845 1.00 0.00 N ATOM 1033 NH2 ARG A 72 -4.953 0.417 -10.124 1.00 0.00 N ATOM 0 H ARG A 72 -0.014 -1.157 -9.646 1.00 0.00 H new ATOM 0 HA ARG A 72 0.494 -3.698 -8.404 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.031 -3.617 -7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.701 -3.128 -6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.650 -1.116 -6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.438 -0.810 -7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.722 -2.586 -7.375 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.870 -0.989 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.386 -1.441 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.937 0.243 -6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.832 1.342 -7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.540 -0.026 -10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.609 1.190 -10.237 1.00 0.00 H new ATOM 1047 N ASP A 73 -1.500 -4.686 -9.832 1.00 0.00 N ATOM 1048 CA ASP A 73 -2.243 -5.261 -10.949 1.00 0.00 C ATOM 1049 C ASP A 73 -3.742 -5.245 -10.669 1.00 0.00 C ATOM 1050 O ASP A 73 -4.178 -5.513 -9.549 1.00 0.00 O ATOM 1051 CB ASP A 73 -1.775 -6.693 -11.215 1.00 0.00 C ATOM 1052 CG ASP A 73 -1.989 -7.114 -12.656 1.00 0.00 C ATOM 1053 OD1 ASP A 73 -1.345 -6.524 -13.548 1.00 0.00 O ATOM 1054 OD2 ASP A 73 -2.797 -8.036 -12.891 1.00 0.00 O ATOM 0 H ASP A 73 -1.368 -5.320 -9.044 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.051 -4.654 -11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.717 -6.778 -10.968 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.312 -7.376 -10.556 1.00 0.00 H new ATOM 1059 N ASN A 74 -4.529 -4.932 -11.694 1.00 0.00 N ATOM 1060 CA ASN A 74 -5.981 -4.881 -11.559 1.00 0.00 C ATOM 1061 C ASN A 74 -6.581 -6.284 -11.565 1.00 0.00 C ATOM 1062 O ASN A 74 -7.799 -6.447 -11.502 1.00 0.00 O ATOM 1063 CB ASN A 74 -6.590 -4.046 -12.689 1.00 0.00 C ATOM 1064 CG ASN A 74 -6.131 -2.601 -12.655 1.00 0.00 C ATOM 1065 OD1 ASN A 74 -5.088 -2.281 -12.086 1.00 0.00 O ATOM 1066 ND2 ASN A 74 -6.912 -1.717 -13.266 1.00 0.00 N ATOM 0 H ASN A 74 -4.185 -4.710 -12.628 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.215 -4.412 -10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.320 -4.487 -13.649 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.677 -4.080 -12.617 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.655 -0.730 -13.275 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.769 -2.025 -13.726 1.00 0.00 H new ATOM 1073 N ALA A 75 -5.717 -7.292 -11.641 1.00 0.00 N ATOM 1074 CA ALA A 75 -6.162 -8.681 -11.655 1.00 0.00 C ATOM 1075 C ALA A 75 -5.016 -9.630 -11.318 1.00 0.00 C ATOM 1076 O ALA A 75 -4.539 -10.375 -12.175 1.00 0.00 O ATOM 1077 CB ALA A 75 -6.757 -9.030 -13.011 1.00 0.00 C ATOM 0 H ALA A 75 -4.705 -7.173 -11.694 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.931 -8.798 -10.891 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.085 -10.069 -13.008 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.609 -8.381 -13.212 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.003 -8.890 -13.786 1.00 0.00 H new ATOM 1083 N LYS A 76 -4.580 -9.599 -10.062 1.00 0.00 N ATOM 1084 CA LYS A 76 -3.492 -10.458 -9.607 1.00 0.00 C ATOM 1085 C LYS A 76 -3.393 -10.450 -8.086 1.00 0.00 C ATOM 1086 O LYS A 76 -2.749 -11.316 -7.493 1.00 0.00 O ATOM 1087 CB LYS A 76 -2.162 -10.005 -10.215 1.00 0.00 C ATOM 1088 CG LYS A 76 -1.115 -11.104 -10.272 1.00 0.00 C ATOM 1089 CD LYS A 76 0.293 -10.532 -10.304 1.00 0.00 C ATOM 1090 CE LYS A 76 1.320 -11.547 -9.825 1.00 0.00 C ATOM 1091 NZ LYS A 76 1.038 -12.015 -8.439 1.00 0.00 N ATOM 0 H LYS A 76 -4.964 -8.988 -9.341 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.707 -11.474 -9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.341 -9.632 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.771 -9.171 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.224 -11.757 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.279 -11.719 -11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.536 -10.219 -11.319 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.339 -9.642 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.328 -12.402 -10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.314 -11.102 -9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.888 -12.467 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.772 -11.203 -7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.257 -12.702 -8.457 1.00 0.00 H new ATOM 1105 N ASN A 77 -4.032 -9.463 -7.463 1.00 0.00 N ATOM 1106 CA ASN A 77 -4.019 -9.334 -6.010 1.00 0.00 C ATOM 1107 C ASN A 77 -2.590 -9.221 -5.486 1.00 0.00 C ATOM 1108 O ASN A 77 -2.100 -10.115 -4.795 1.00 0.00 O ATOM 1109 CB ASN A 77 -4.726 -10.527 -5.360 1.00 0.00 C ATOM 1110 CG ASN A 77 -6.022 -10.131 -4.681 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -5.934 -9.202 -3.735 1.00 0.00 O flip ATOM 1112 ND2 ASN A 77 -7.090 -10.652 -5.003 1.00 0.00 N flip ATOM 0 H ASN A 77 -4.566 -8.740 -7.944 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.555 -8.422 -5.747 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.933 -11.281 -6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.061 -10.985 -4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.111 -11.362 -5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.954 -10.374 -4.538 1.00 0.00 H new ATOM 1119 N THR A 78 -1.926 -8.117 -5.818 1.00 0.00 N ATOM 1120 CA THR A 78 -0.554 -7.892 -5.378 1.00 0.00 C ATOM 1121 C THR A 78 -0.182 -6.412 -5.430 1.00 0.00 C ATOM 1122 O THR A 78 -0.669 -5.667 -6.278 1.00 0.00 O ATOM 1123 CB THR A 78 0.444 -8.690 -6.236 1.00 0.00 C ATOM 1124 OG1 THR A 78 -0.240 -9.331 -7.318 1.00 0.00 O ATOM 1125 CG2 THR A 78 1.166 -9.733 -5.396 1.00 0.00 C ATOM 0 H THR A 78 -2.315 -7.367 -6.389 1.00 0.00 H new ATOM 0 HA THR A 78 -0.498 -8.235 -4.345 1.00 0.00 H new ATOM 0 HB THR A 78 1.181 -7.994 -6.636 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.645 -10.165 -7.001 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.866 -10.285 -6.024 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.711 -9.239 -4.592 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.439 -10.424 -4.970 1.00 0.00 H new ATOM 1133 N LEU A 79 0.691 -6.000 -4.513 1.00 0.00 N ATOM 1134 CA LEU A 79 1.145 -4.612 -4.442 1.00 0.00 C ATOM 1135 C LEU A 79 2.661 -4.541 -4.585 1.00 0.00 C ATOM 1136 O LEU A 79 3.397 -5.033 -3.730 1.00 0.00 O ATOM 1137 CB LEU A 79 0.716 -3.979 -3.113 1.00 0.00 C ATOM 1138 CG LEU A 79 0.807 -2.449 -3.048 1.00 0.00 C ATOM 1139 CD1 LEU A 79 0.078 -1.806 -4.217 1.00 0.00 C ATOM 1140 CD2 LEU A 79 0.244 -1.941 -1.728 1.00 0.00 C ATOM 0 H LEU A 79 1.100 -6.611 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 79 0.688 -4.058 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.313 -4.273 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.333 -4.396 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 79 1.859 -2.170 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.159 -0.721 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.524 -2.142 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.973 -2.093 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.315 -0.854 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.801 -2.239 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.814 -2.366 -0.902 1.00 0.00 H new ATOM 1152 N TYR A 80 3.122 -3.936 -5.674 1.00 0.00 N ATOM 1153 CA TYR A 80 4.553 -3.815 -5.930 1.00 0.00 C ATOM 1154 C TYR A 80 5.048 -2.397 -5.670 1.00 0.00 C ATOM 1155 O TYR A 80 4.279 -1.437 -5.730 1.00 0.00 O ATOM 1156 CB TYR A 80 4.868 -4.205 -7.375 1.00 0.00 C ATOM 1157 CG TYR A 80 4.513 -5.635 -7.713 1.00 0.00 C ATOM 1158 CD1 TYR A 80 3.189 -6.024 -7.864 1.00 0.00 C ATOM 1159 CD2 TYR A 80 5.504 -6.594 -7.884 1.00 0.00 C ATOM 1160 CE1 TYR A 80 2.861 -7.327 -8.175 1.00 0.00 C ATOM 1161 CE2 TYR A 80 5.183 -7.900 -8.197 1.00 0.00 C ATOM 1162 CZ TYR A 80 3.860 -8.262 -8.341 1.00 0.00 C ATOM 1163 OH TYR A 80 3.536 -9.563 -8.652 1.00 0.00 O ATOM 0 H TYR A 80 2.527 -3.523 -6.392 1.00 0.00 H new ATOM 0 HA TYR A 80 5.067 -4.491 -5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.328 -3.538 -8.047 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.931 -4.051 -7.559 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.403 -5.294 -7.736 1.00 0.00 H new ATOM 0 HD2 TYR A 80 6.541 -6.314 -7.770 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.826 -7.613 -8.288 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.964 -8.634 -8.328 1.00 0.00 H new ATOM 0 HH TYR A 80 4.356 -10.093 -8.736 1.00 0.00 H new ATOM 1173 N LEU A 81 6.343 -2.275 -5.401 1.00 0.00 N ATOM 1174 CA LEU A 81 6.959 -0.979 -5.152 1.00 0.00 C ATOM 1175 C LEU A 81 8.406 -0.979 -5.630 1.00 0.00 C ATOM 1176 O LEU A 81 9.129 -1.961 -5.452 1.00 0.00 O ATOM 1177 CB LEU A 81 6.896 -0.615 -3.665 1.00 0.00 C ATOM 1178 CG LEU A 81 7.473 0.761 -3.308 1.00 0.00 C ATOM 1179 CD1 LEU A 81 6.429 1.853 -3.484 1.00 0.00 C ATOM 1180 CD2 LEU A 81 7.991 0.775 -1.885 1.00 0.00 C ATOM 0 H LEU A 81 6.989 -3.063 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 81 6.400 -0.228 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.856 -0.651 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.433 -1.375 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 81 8.302 0.956 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.864 2.818 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.095 1.873 -4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.578 1.652 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.395 1.761 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.175 0.548 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.776 0.027 -1.776 1.00 0.00 H new ATOM 1192 N GLN A 82 8.823 0.126 -6.242 1.00 0.00 N ATOM 1193 CA GLN A 82 10.182 0.251 -6.749 1.00 0.00 C ATOM 1194 C GLN A 82 11.016 1.132 -5.830 1.00 0.00 C ATOM 1195 O GLN A 82 10.709 2.308 -5.630 1.00 0.00 O ATOM 1196 CB GLN A 82 10.174 0.826 -8.166 1.00 0.00 C ATOM 1197 CG GLN A 82 11.051 0.053 -9.140 1.00 0.00 C ATOM 1198 CD GLN A 82 10.633 -1.398 -9.276 1.00 0.00 C ATOM 1199 OE1 GLN A 82 9.458 -1.734 -9.130 1.00 0.00 O ATOM 1200 NE2 GLN A 82 11.596 -2.268 -9.558 1.00 0.00 N ATOM 0 H GLN A 82 8.238 0.947 -6.398 1.00 0.00 H new ATOM 0 HA GLN A 82 10.629 -0.743 -6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.150 0.835 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 82 10.510 1.862 -8.131 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.011 0.532 -10.118 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.087 0.099 -8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.557 -1.946 -9.671 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.374 -3.258 -9.662 1.00 0.00 H new ATOM 1209 N MET A 83 12.064 0.545 -5.266 1.00 0.00 N ATOM 1210 CA MET A 83 12.948 1.255 -4.353 1.00 0.00 C ATOM 1211 C MET A 83 14.165 1.808 -5.085 1.00 0.00 C ATOM 1212 O MET A 83 15.179 1.125 -5.230 1.00 0.00 O ATOM 1213 CB MET A 83 13.392 0.321 -3.225 1.00 0.00 C ATOM 1214 CG MET A 83 12.269 -0.551 -2.684 1.00 0.00 C ATOM 1215 SD MET A 83 12.682 -1.319 -1.107 1.00 0.00 S ATOM 1216 CE MET A 83 11.153 -1.078 -0.205 1.00 0.00 C ATOM 0 H MET A 83 12.323 -0.428 -5.427 1.00 0.00 H new ATOM 0 HA MET A 83 12.398 2.095 -3.930 1.00 0.00 H new ATOM 0 HB2 MET A 83 14.196 -0.319 -3.589 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.803 0.917 -2.411 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.370 0.054 -2.564 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.035 -1.328 -3.412 1.00 0.00 H new ATOM 0 HE1 MET A 83 11.231 -1.548 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 83 10.967 -0.011 -0.082 1.00 0.00 H new ATOM 0 HE3 MET A 83 10.329 -1.528 -0.759 1.00 0.00 H new ATOM 1226 N ASN A 84 14.055 3.053 -5.542 1.00 0.00 N ATOM 1227 CA ASN A 84 15.147 3.706 -6.257 1.00 0.00 C ATOM 1228 C ASN A 84 15.650 4.921 -5.483 1.00 0.00 C ATOM 1229 O ASN A 84 14.969 5.420 -4.585 1.00 0.00 O ATOM 1230 CB ASN A 84 14.692 4.131 -7.655 1.00 0.00 C ATOM 1231 CG ASN A 84 13.206 3.919 -7.873 1.00 0.00 C ATOM 1232 OD1 ASN A 84 12.813 2.672 -8.095 1.00 0.00 O flip ATOM 1233 ND2 ASN A 84 12.421 4.867 -7.843 1.00 0.00 N flip ATOM 0 H ASN A 84 13.221 3.629 -5.430 1.00 0.00 H new ATOM 0 HA ASN A 84 15.964 2.991 -6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.931 5.183 -7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.250 3.566 -8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.767 5.810 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.424 4.709 -7.992 1.00 0.00 H new ATOM 1240 N SER A 85 16.846 5.388 -5.834 1.00 0.00 N ATOM 1241 CA SER A 85 17.446 6.544 -5.173 1.00 0.00 C ATOM 1242 C SER A 85 17.527 6.325 -3.664 1.00 0.00 C ATOM 1243 O SER A 85 17.035 7.136 -2.879 1.00 0.00 O ATOM 1244 CB SER A 85 16.644 7.812 -5.476 1.00 0.00 C ATOM 1245 OG SER A 85 17.367 8.682 -6.329 1.00 0.00 O ATOM 0 H SER A 85 17.419 4.983 -6.574 1.00 0.00 H new ATOM 0 HA SER A 85 18.457 6.666 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.697 7.544 -5.944 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.405 8.326 -4.545 1.00 0.00 H new ATOM 0 HG SER A 85 16.832 9.483 -6.508 1.00 0.00 H new ATOM 1251 N LEU A 86 18.149 5.220 -3.268 1.00 0.00 N ATOM 1252 CA LEU A 86 18.295 4.887 -1.856 1.00 0.00 C ATOM 1253 C LEU A 86 19.201 5.891 -1.148 1.00 0.00 C ATOM 1254 O LEU A 86 19.976 6.601 -1.789 1.00 0.00 O ATOM 1255 CB LEU A 86 18.858 3.470 -1.697 1.00 0.00 C ATOM 1256 CG LEU A 86 18.007 2.342 -2.299 1.00 0.00 C ATOM 1257 CD1 LEU A 86 16.524 2.579 -2.046 1.00 0.00 C ATOM 1258 CD2 LEU A 86 18.277 2.207 -3.790 1.00 0.00 C ATOM 0 H LEU A 86 18.561 4.539 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 86 17.308 4.931 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.846 3.438 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.993 3.270 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 86 18.289 1.410 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.946 1.765 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.340 2.619 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 86 16.224 3.523 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.665 1.403 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.029 3.143 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.331 1.978 -3.950 1.00 0.00 H new ATOM 1270 N LYS A 87 19.097 5.942 0.178 1.00 0.00 N ATOM 1271 CA LYS A 87 19.906 6.858 0.977 1.00 0.00 C ATOM 1272 C LYS A 87 19.923 6.425 2.441 1.00 0.00 C ATOM 1273 O LYS A 87 19.745 7.244 3.344 1.00 0.00 O ATOM 1274 CB LYS A 87 19.365 8.286 0.860 1.00 0.00 C ATOM 1275 CG LYS A 87 17.900 8.417 1.242 1.00 0.00 C ATOM 1276 CD LYS A 87 17.135 9.263 0.237 1.00 0.00 C ATOM 1277 CE LYS A 87 16.650 10.564 0.857 1.00 0.00 C ATOM 1278 NZ LYS A 87 17.513 11.716 0.476 1.00 0.00 N ATOM 0 H LYS A 87 18.460 5.359 0.722 1.00 0.00 H new ATOM 0 HA LYS A 87 20.927 6.834 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 87 19.958 8.943 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 87 19.496 8.632 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.449 7.427 1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.820 8.865 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.775 9.483 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.282 8.699 -0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.625 10.757 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.634 10.465 1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.149 12.584 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.486 11.543 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.508 11.827 -0.558 1.00 0.00 H new ATOM 1292 N SER A 88 20.134 5.129 2.664 1.00 0.00 N ATOM 1293 CA SER A 88 20.169 4.573 4.015 1.00 0.00 C ATOM 1294 C SER A 88 18.830 4.772 4.720 1.00 0.00 C ATOM 1295 O SER A 88 18.708 4.529 5.921 1.00 0.00 O ATOM 1296 CB SER A 88 21.293 5.212 4.834 1.00 0.00 C ATOM 1297 OG SER A 88 22.527 5.154 4.141 1.00 0.00 O ATOM 0 H SER A 88 20.284 4.443 1.924 1.00 0.00 H new ATOM 0 HA SER A 88 20.361 3.503 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 88 21.043 6.250 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 88 21.386 4.699 5.791 1.00 0.00 H new ATOM 0 HG SER A 88 23.228 5.570 4.685 1.00 0.00 H new ATOM 1303 N GLU A 89 17.829 5.209 3.962 1.00 0.00 N ATOM 1304 CA GLU A 89 16.496 5.436 4.505 1.00 0.00 C ATOM 1305 C GLU A 89 15.586 4.257 4.185 1.00 0.00 C ATOM 1306 O GLU A 89 14.806 3.812 5.027 1.00 0.00 O ATOM 1307 CB GLU A 89 15.906 6.730 3.938 1.00 0.00 C ATOM 1308 CG GLU A 89 14.417 6.891 4.203 1.00 0.00 C ATOM 1309 CD GLU A 89 14.123 7.398 5.602 1.00 0.00 C ATOM 1310 OE1 GLU A 89 14.981 7.221 6.492 1.00 0.00 O ATOM 1311 OE2 GLU A 89 13.033 7.971 5.808 1.00 0.00 O ATOM 0 H GLU A 89 17.917 5.413 2.967 1.00 0.00 H new ATOM 0 HA GLU A 89 16.573 5.532 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.436 7.580 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.080 6.757 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.995 7.583 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.920 5.932 4.057 1.00 0.00 H new ATOM 1318 N ASP A 90 15.699 3.752 2.961 1.00 0.00 N ATOM 1319 CA ASP A 90 14.898 2.618 2.520 1.00 0.00 C ATOM 1320 C ASP A 90 15.138 1.407 3.420 1.00 0.00 C ATOM 1321 O ASP A 90 14.296 0.514 3.516 1.00 0.00 O ATOM 1322 CB ASP A 90 15.239 2.266 1.071 1.00 0.00 C ATOM 1323 CG ASP A 90 14.595 0.970 0.619 1.00 0.00 C ATOM 1324 OD1 ASP A 90 13.420 0.737 0.970 1.00 0.00 O ATOM 1325 OD2 ASP A 90 15.269 0.187 -0.083 1.00 0.00 O ATOM 0 H ASP A 90 16.341 4.113 2.255 1.00 0.00 H new ATOM 0 HA ASP A 90 13.846 2.895 2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.914 3.076 0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.321 2.186 0.965 1.00 0.00 H new ATOM 1330 N THR A 91 16.297 1.388 4.074 1.00 0.00 N ATOM 1331 CA THR A 91 16.662 0.292 4.967 1.00 0.00 C ATOM 1332 C THR A 91 15.664 0.155 6.112 1.00 0.00 C ATOM 1333 O THR A 91 15.771 0.840 7.130 1.00 0.00 O ATOM 1334 CB THR A 91 18.075 0.493 5.549 1.00 0.00 C ATOM 1335 OG1 THR A 91 19.027 0.635 4.487 1.00 0.00 O ATOM 1336 CG2 THR A 91 18.469 -0.682 6.432 1.00 0.00 C ATOM 0 H THR A 91 17.001 2.122 4.002 1.00 0.00 H new ATOM 0 HA THR A 91 16.648 -0.621 4.371 1.00 0.00 H new ATOM 0 HB THR A 91 18.068 1.399 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 91 19.922 0.764 4.865 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.470 -0.518 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.760 -0.772 7.255 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.460 -1.599 5.843 1.00 0.00 H new ATOM 1344 N ALA A 92 14.693 -0.738 5.936 1.00 0.00 N ATOM 1345 CA ALA A 92 13.669 -0.978 6.946 1.00 0.00 C ATOM 1346 C ALA A 92 12.762 -2.132 6.533 1.00 0.00 C ATOM 1347 O ALA A 92 13.095 -2.902 5.632 1.00 0.00 O ATOM 1348 CB ALA A 92 12.846 0.283 7.171 1.00 0.00 C ATOM 0 H ALA A 92 14.595 -1.310 5.097 1.00 0.00 H new ATOM 0 HA ALA A 92 14.164 -1.248 7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.085 0.091 7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.499 1.088 7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.364 0.575 6.238 1.00 0.00 H new ATOM 1354 N VAL A 93 11.610 -2.238 7.186 1.00 0.00 N ATOM 1355 CA VAL A 93 10.651 -3.291 6.872 1.00 0.00 C ATOM 1356 C VAL A 93 9.394 -2.692 6.258 1.00 0.00 C ATOM 1357 O VAL A 93 8.793 -1.782 6.824 1.00 0.00 O ATOM 1358 CB VAL A 93 10.268 -4.112 8.116 1.00 0.00 C ATOM 1359 CG1 VAL A 93 9.528 -5.373 7.705 1.00 0.00 C ATOM 1360 CG2 VAL A 93 11.505 -4.459 8.928 1.00 0.00 C ATOM 0 H VAL A 93 11.318 -1.609 7.934 1.00 0.00 H new ATOM 0 HA VAL A 93 11.131 -3.961 6.159 1.00 0.00 H new ATOM 0 HB VAL A 93 9.608 -3.510 8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.263 -5.945 8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.622 -5.103 7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.168 -5.977 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.214 -5.040 9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.190 -5.045 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.999 -3.542 9.248 1.00 0.00 H new ATOM 1370 N TYR A 94 9.013 -3.188 5.089 1.00 0.00 N ATOM 1371 CA TYR A 94 7.839 -2.668 4.401 1.00 0.00 C ATOM 1372 C TYR A 94 6.664 -3.638 4.451 1.00 0.00 C ATOM 1373 O TYR A 94 6.840 -4.856 4.439 1.00 0.00 O ATOM 1374 CB TYR A 94 8.187 -2.336 2.948 1.00 0.00 C ATOM 1375 CG TYR A 94 9.108 -1.144 2.807 1.00 0.00 C ATOM 1376 CD1 TYR A 94 10.406 -1.183 3.304 1.00 0.00 C ATOM 1377 CD2 TYR A 94 8.681 0.021 2.182 1.00 0.00 C ATOM 1378 CE1 TYR A 94 11.249 -0.096 3.185 1.00 0.00 C ATOM 1379 CE2 TYR A 94 9.520 1.112 2.056 1.00 0.00 C ATOM 1380 CZ TYR A 94 10.802 1.048 2.560 1.00 0.00 C ATOM 1381 OH TYR A 94 11.639 2.132 2.444 1.00 0.00 O ATOM 0 H TYR A 94 9.494 -3.943 4.600 1.00 0.00 H new ATOM 0 HA TYR A 94 7.532 -1.760 4.920 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.657 -3.205 2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.267 -2.142 2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.761 -2.079 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.677 0.075 1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.253 -0.142 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.174 2.010 1.566 1.00 0.00 H new ATOM 0 HH TYR A 94 11.413 2.635 1.634 1.00 0.00 H new ATOM 1391 N TYR A 95 5.461 -3.074 4.500 1.00 0.00 N ATOM 1392 CA TYR A 95 4.233 -3.858 4.538 1.00 0.00 C ATOM 1393 C TYR A 95 3.177 -3.212 3.652 1.00 0.00 C ATOM 1394 O TYR A 95 3.301 -2.049 3.274 1.00 0.00 O ATOM 1395 CB TYR A 95 3.688 -3.970 5.968 1.00 0.00 C ATOM 1396 CG TYR A 95 4.746 -4.000 7.048 1.00 0.00 C ATOM 1397 CD1 TYR A 95 5.315 -2.826 7.527 1.00 0.00 C ATOM 1398 CD2 TYR A 95 5.168 -5.203 7.597 1.00 0.00 C ATOM 1399 CE1 TYR A 95 6.275 -2.852 8.520 1.00 0.00 C ATOM 1400 CE2 TYR A 95 6.128 -5.236 8.591 1.00 0.00 C ATOM 1401 CZ TYR A 95 6.678 -4.059 9.048 1.00 0.00 C ATOM 1402 OH TYR A 95 7.632 -4.086 10.038 1.00 0.00 O ATOM 0 H TYR A 95 5.311 -2.065 4.514 1.00 0.00 H new ATOM 0 HA TYR A 95 4.465 -4.859 4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.021 -3.128 6.155 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.086 -4.876 6.043 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.001 -1.878 7.116 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.739 -6.128 7.242 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.708 -1.930 8.881 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.445 -6.181 9.007 1.00 0.00 H new ATOM 0 HH TYR A 95 7.803 -5.014 10.302 1.00 0.00 H new ATOM 1412 N CYS A 96 2.130 -3.961 3.340 1.00 0.00 N ATOM 1413 CA CYS A 96 1.046 -3.450 2.520 1.00 0.00 C ATOM 1414 C CYS A 96 -0.261 -3.530 3.295 1.00 0.00 C ATOM 1415 O CYS A 96 -0.514 -4.510 3.995 1.00 0.00 O ATOM 1416 CB CYS A 96 0.944 -4.228 1.206 1.00 0.00 C ATOM 1417 SG CYS A 96 0.099 -5.834 1.348 1.00 0.00 S ATOM 0 H CYS A 96 2.010 -4.927 3.644 1.00 0.00 H new ATOM 0 HA CYS A 96 1.250 -2.408 2.274 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.415 -3.616 0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.949 -4.393 0.816 1.00 0.00 H new ATOM 1422 N ALA A 97 -1.075 -2.490 3.189 1.00 0.00 N ATOM 1423 CA ALA A 97 -2.344 -2.448 3.905 1.00 0.00 C ATOM 1424 C ALA A 97 -3.388 -1.624 3.166 1.00 0.00 C ATOM 1425 O ALA A 97 -3.071 -0.868 2.249 1.00 0.00 O ATOM 1426 CB ALA A 97 -2.139 -1.884 5.299 1.00 0.00 C ATOM 0 H ALA A 97 -0.882 -1.667 2.618 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.714 -3.471 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.093 -1.857 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.440 -2.515 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.736 -0.874 5.227 1.00 0.00 H new ATOM 1432 N LYS A 98 -4.639 -1.781 3.583 1.00 0.00 N ATOM 1433 CA LYS A 98 -5.748 -1.058 2.975 1.00 0.00 C ATOM 1434 C LYS A 98 -5.961 0.293 3.656 1.00 0.00 C ATOM 1435 O LYS A 98 -5.769 0.428 4.864 1.00 0.00 O ATOM 1436 CB LYS A 98 -7.024 -1.899 3.059 1.00 0.00 C ATOM 1437 CG LYS A 98 -8.291 -1.140 2.697 1.00 0.00 C ATOM 1438 CD LYS A 98 -9.520 -1.778 3.325 1.00 0.00 C ATOM 1439 CE LYS A 98 -9.685 -3.225 2.889 1.00 0.00 C ATOM 1440 NZ LYS A 98 -10.808 -3.895 3.602 1.00 0.00 N ATOM 0 H LYS A 98 -4.911 -2.405 4.343 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.506 -0.874 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.925 -2.758 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.124 -2.289 4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.205 -0.106 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.405 -1.116 1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.440 -1.732 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.408 -1.210 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.863 -3.262 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.759 -3.769 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.110 -4.733 3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.493 -4.186 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.606 -3.234 3.690 1.00 0.00 H new ATOM 1454 N TYR A 99 -6.360 1.289 2.868 1.00 0.00 N ATOM 1455 CA TYR A 99 -6.603 2.632 3.386 1.00 0.00 C ATOM 1456 C TYR A 99 -8.040 2.775 3.879 1.00 0.00 C ATOM 1457 O TYR A 99 -8.986 2.430 3.171 1.00 0.00 O ATOM 1458 CB TYR A 99 -6.321 3.673 2.299 1.00 0.00 C ATOM 1459 CG TYR A 99 -5.396 4.785 2.742 1.00 0.00 C ATOM 1460 CD1 TYR A 99 -4.037 4.555 2.920 1.00 0.00 C ATOM 1461 CD2 TYR A 99 -5.881 6.066 2.976 1.00 0.00 C ATOM 1462 CE1 TYR A 99 -3.189 5.570 3.320 1.00 0.00 C ATOM 1463 CE2 TYR A 99 -5.038 7.086 3.373 1.00 0.00 C ATOM 1464 CZ TYR A 99 -3.693 6.834 3.545 1.00 0.00 C ATOM 1465 OH TYR A 99 -2.851 7.847 3.941 1.00 0.00 O ATOM 0 H TYR A 99 -6.522 1.190 1.866 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.932 2.798 4.228 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.884 3.173 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.266 4.108 1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.637 3.567 2.743 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.934 6.267 2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.136 5.374 3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.431 8.077 3.548 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.990 8.034 4.893 1.00 0.00 H new ATOM 1475 N SER A 100 -8.197 3.286 5.097 1.00 0.00 N ATOM 1476 CA SER A 100 -9.520 3.475 5.683 1.00 0.00 C ATOM 1477 C SER A 100 -9.567 4.752 6.519 1.00 0.00 C ATOM 1478 O SER A 100 -9.873 4.715 7.712 1.00 0.00 O ATOM 1479 CB SER A 100 -9.899 2.269 6.545 1.00 0.00 C ATOM 1480 OG SER A 100 -10.358 1.193 5.745 1.00 0.00 O ATOM 0 H SER A 100 -7.425 3.576 5.697 1.00 0.00 H new ATOM 0 HA SER A 100 -10.240 3.568 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.035 1.950 7.128 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.675 2.555 7.255 1.00 0.00 H new ATOM 0 HG SER A 100 -10.114 1.353 4.810 1.00 0.00 H new ATOM 1486 N GLY A 101 -9.262 5.880 5.886 1.00 0.00 N ATOM 1487 CA GLY A 101 -9.275 7.153 6.584 1.00 0.00 C ATOM 1488 C GLY A 101 -8.084 8.021 6.228 1.00 0.00 C ATOM 1489 O GLY A 101 -8.170 8.867 5.337 1.00 0.00 O ATOM 0 H GLY A 101 -9.006 5.936 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.195 7.687 6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.282 6.974 7.659 1.00 0.00 H new ATOM 1493 N GLY A 102 -6.971 7.813 6.924 1.00 0.00 N ATOM 1494 CA GLY A 102 -5.775 8.592 6.661 1.00 0.00 C ATOM 1495 C GLY A 102 -4.516 7.924 7.177 1.00 0.00 C ATOM 1496 O GLY A 102 -3.437 8.518 7.157 1.00 0.00 O ATOM 0 H GLY A 102 -6.876 7.119 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.681 8.754 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.877 9.573 7.124 1.00 0.00 H new ATOM 1500 N ALA A 103 -4.652 6.685 7.641 1.00 0.00 N ATOM 1501 CA ALA A 103 -3.517 5.934 8.165 1.00 0.00 C ATOM 1502 C ALA A 103 -3.614 4.460 7.784 1.00 0.00 C ATOM 1503 O ALA A 103 -4.701 3.952 7.506 1.00 0.00 O ATOM 1504 CB ALA A 103 -3.438 6.084 9.677 1.00 0.00 C ATOM 0 H ALA A 103 -5.538 6.180 7.664 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.608 6.340 7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.586 5.518 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.316 7.137 9.932 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.355 5.705 10.129 1.00 0.00 H new ATOM 1510 N LEU A 104 -2.472 3.779 7.771 1.00 0.00 N ATOM 1511 CA LEU A 104 -2.436 2.362 7.422 1.00 0.00 C ATOM 1512 C LEU A 104 -2.420 1.490 8.673 1.00 0.00 C ATOM 1513 O LEU A 104 -1.897 1.886 9.714 1.00 0.00 O ATOM 1514 CB LEU A 104 -1.207 2.053 6.554 1.00 0.00 C ATOM 1515 CG LEU A 104 -1.452 1.968 5.036 1.00 0.00 C ATOM 1516 CD1 LEU A 104 -0.502 0.967 4.397 1.00 0.00 C ATOM 1517 CD2 LEU A 104 -2.889 1.585 4.728 1.00 0.00 C ATOM 0 H LEU A 104 -1.563 4.183 7.997 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.338 2.135 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.456 2.821 6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.782 1.106 6.886 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.264 2.956 4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.690 0.921 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.527 1.280 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.662 -0.018 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.028 1.534 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.109 0.613 5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.563 2.333 5.146 1.00 0.00 H new ATOM 1529 N ASP A 105 -2.998 0.299 8.556 1.00 0.00 N ATOM 1530 CA ASP A 105 -3.056 -0.642 9.669 1.00 0.00 C ATOM 1531 C ASP A 105 -1.931 -1.667 9.565 1.00 0.00 C ATOM 1532 O ASP A 105 -1.413 -2.143 10.576 1.00 0.00 O ATOM 1533 CB ASP A 105 -4.410 -1.354 9.685 1.00 0.00 C ATOM 1534 CG ASP A 105 -5.281 -0.915 10.845 1.00 0.00 C ATOM 1535 OD1 ASP A 105 -5.716 0.255 10.852 1.00 0.00 O ATOM 1536 OD2 ASP A 105 -5.530 -1.743 11.746 1.00 0.00 O ATOM 0 H ASP A 105 -3.435 -0.038 7.698 1.00 0.00 H new ATOM 0 HA ASP A 105 -2.934 -0.085 10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.932 -1.158 8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.250 -2.431 9.741 1.00 0.00 H new ATOM 1541 N ALA A 106 -1.559 -1.991 8.329 1.00 0.00 N ATOM 1542 CA ALA A 106 -0.491 -2.951 8.059 1.00 0.00 C ATOM 1543 C ALA A 106 -0.838 -4.346 8.567 1.00 0.00 C ATOM 1544 O ALA A 106 -0.906 -4.580 9.773 1.00 0.00 O ATOM 1545 CB ALA A 106 0.815 -2.477 8.673 1.00 0.00 C ATOM 0 H ALA A 106 -1.986 -1.598 7.490 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.375 -3.014 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.600 -3.203 8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.089 -1.512 8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.694 -2.375 9.751 1.00 0.00 H new ATOM 1551 N TRP A 107 -1.041 -5.272 7.634 1.00 0.00 N ATOM 1552 CA TRP A 107 -1.366 -6.651 7.981 1.00 0.00 C ATOM 1553 C TRP A 107 -0.404 -7.611 7.295 1.00 0.00 C ATOM 1554 O TRP A 107 -0.554 -8.829 7.386 1.00 0.00 O ATOM 1555 CB TRP A 107 -2.802 -6.990 7.577 1.00 0.00 C ATOM 1556 CG TRP A 107 -3.793 -5.918 7.897 1.00 0.00 C ATOM 1557 CD1 TRP A 107 -3.977 -5.293 9.095 1.00 0.00 C ATOM 1558 CD2 TRP A 107 -4.744 -5.351 6.996 1.00 0.00 C ATOM 1559 NE1 TRP A 107 -4.987 -4.367 8.992 1.00 0.00 N ATOM 1560 CE2 TRP A 107 -5.474 -4.385 7.710 1.00 0.00 C ATOM 1561 CE3 TRP A 107 -5.045 -5.569 5.652 1.00 0.00 C ATOM 1562 CZ2 TRP A 107 -6.489 -3.636 7.120 1.00 0.00 C ATOM 1563 CZ3 TRP A 107 -6.051 -4.828 5.067 1.00 0.00 C ATOM 1564 CH2 TRP A 107 -6.762 -3.871 5.800 1.00 0.00 C ATOM 0 H TRP A 107 -0.986 -5.092 6.632 1.00 0.00 H new ATOM 0 HA TRP A 107 -1.271 -6.757 9.062 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -2.830 -7.188 6.506 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -3.102 -7.910 8.079 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -3.412 -5.496 9.993 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.320 -3.765 9.745 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -4.500 -6.305 5.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -7.040 -2.897 7.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.294 -4.989 4.027 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -7.543 -3.306 5.313 1.00 0.00 H new ATOM 1575 N GLY A 108 0.579 -7.048 6.607 1.00 0.00 N ATOM 1576 CA GLY A 108 1.557 -7.857 5.904 1.00 0.00 C ATOM 1577 C GLY A 108 2.486 -8.598 6.844 1.00 0.00 C ATOM 1578 O GLY A 108 2.432 -8.407 8.060 1.00 0.00 O ATOM 0 H GLY A 108 0.718 -6.041 6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.039 -8.576 5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.146 -7.218 5.246 1.00 0.00 H new ATOM 1582 N GLN A 109 3.340 -9.448 6.281 1.00 0.00 N ATOM 1583 CA GLN A 109 4.284 -10.222 7.075 1.00 0.00 C ATOM 1584 C GLN A 109 5.464 -9.363 7.515 1.00 0.00 C ATOM 1585 O GLN A 109 5.763 -9.265 8.705 1.00 0.00 O ATOM 1586 CB GLN A 109 4.784 -11.429 6.280 1.00 0.00 C ATOM 1587 CG GLN A 109 3.877 -12.642 6.388 1.00 0.00 C ATOM 1588 CD GLN A 109 4.103 -13.428 7.666 1.00 0.00 C ATOM 1589 OE1 GLN A 109 4.242 -12.854 8.746 1.00 0.00 O ATOM 1590 NE2 GLN A 109 4.143 -14.749 7.547 1.00 0.00 N ATOM 0 H GLN A 109 3.396 -9.617 5.277 1.00 0.00 H new ATOM 0 HA GLN A 109 3.764 -10.573 7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.880 -11.149 5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.781 -11.698 6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 109 2.837 -12.318 6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.045 -13.294 5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 109 4.023 -15.182 6.632 1.00 0.00 H new ATOM 0 HE22 GLN A 109 4.294 -15.331 8.371 1.00 0.00 H new ATOM 1599 N GLY A 110 6.131 -8.740 6.548 1.00 0.00 N ATOM 1600 CA GLY A 110 7.269 -7.896 6.864 1.00 0.00 C ATOM 1601 C GLY A 110 8.482 -8.202 6.009 1.00 0.00 C ATOM 1602 O GLY A 110 9.247 -9.117 6.313 1.00 0.00 O ATOM 0 H GLY A 110 5.905 -8.804 5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.989 -6.851 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.529 -8.023 7.915 1.00 0.00 H new ATOM 1606 N THR A 111 8.665 -7.427 4.944 1.00 0.00 N ATOM 1607 CA THR A 111 9.804 -7.619 4.056 1.00 0.00 C ATOM 1608 C THR A 111 11.023 -6.862 4.574 1.00 0.00 C ATOM 1609 O THR A 111 10.976 -5.646 4.771 1.00 0.00 O ATOM 1610 CB THR A 111 9.493 -7.165 2.615 1.00 0.00 C ATOM 1611 OG1 THR A 111 10.684 -7.207 1.823 1.00 0.00 O ATOM 1612 CG2 THR A 111 8.918 -5.758 2.592 1.00 0.00 C ATOM 0 H THR A 111 8.042 -6.665 4.677 1.00 0.00 H new ATOM 0 HA THR A 111 10.018 -8.688 4.039 1.00 0.00 H new ATOM 0 HB THR A 111 8.750 -7.847 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.479 -6.919 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.709 -5.467 1.562 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.994 -5.733 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.637 -5.064 3.027 1.00 0.00 H new ATOM 1620 N GLN A 112 12.109 -7.597 4.805 1.00 0.00 N ATOM 1621 CA GLN A 112 13.342 -7.007 5.315 1.00 0.00 C ATOM 1622 C GLN A 112 14.190 -6.428 4.187 1.00 0.00 C ATOM 1623 O GLN A 112 14.869 -7.158 3.466 1.00 0.00 O ATOM 1624 CB GLN A 112 14.145 -8.056 6.093 1.00 0.00 C ATOM 1625 CG GLN A 112 15.550 -7.606 6.462 1.00 0.00 C ATOM 1626 CD GLN A 112 15.565 -6.617 7.611 1.00 0.00 C ATOM 1627 OE1 GLN A 112 15.244 -6.965 8.748 1.00 0.00 O ATOM 1628 NE2 GLN A 112 15.939 -5.377 7.319 1.00 0.00 N ATOM 0 H GLN A 112 12.159 -8.603 4.646 1.00 0.00 H new ATOM 0 HA GLN A 112 13.072 -6.191 5.985 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.604 -8.311 7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.210 -8.966 5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.147 -8.477 6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 112 16.022 -7.152 5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 112 16.197 -5.134 6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 112 15.969 -4.668 8.051 1.00 0.00 H new ATOM 1637 N VAL A 113 14.150 -5.107 4.052 1.00 0.00 N ATOM 1638 CA VAL A 113 14.921 -4.413 3.026 1.00 0.00 C ATOM 1639 C VAL A 113 16.078 -3.645 3.658 1.00 0.00 C ATOM 1640 O VAL A 113 15.884 -2.892 4.612 1.00 0.00 O ATOM 1641 CB VAL A 113 14.036 -3.436 2.227 1.00 0.00 C ATOM 1642 CG1 VAL A 113 14.863 -2.678 1.201 1.00 0.00 C ATOM 1643 CG2 VAL A 113 12.895 -4.183 1.554 1.00 0.00 C ATOM 0 H VAL A 113 13.589 -4.493 4.643 1.00 0.00 H new ATOM 0 HA VAL A 113 15.313 -5.167 2.343 1.00 0.00 H new ATOM 0 HB VAL A 113 13.610 -2.711 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.219 -1.994 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.643 -2.111 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 113 15.321 -3.385 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 113 12.279 -3.479 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.301 -4.931 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 113 12.285 -4.675 2.312 1.00 0.00 H new ATOM 1653 N THR A 114 17.285 -3.850 3.137 1.00 0.00 N ATOM 1654 CA THR A 114 18.464 -3.181 3.677 1.00 0.00 C ATOM 1655 C THR A 114 19.365 -2.629 2.574 1.00 0.00 C ATOM 1656 O THR A 114 19.421 -3.169 1.467 1.00 0.00 O ATOM 1657 CB THR A 114 19.284 -4.137 4.562 1.00 0.00 C ATOM 1658 OG1 THR A 114 18.419 -4.816 5.481 1.00 0.00 O ATOM 1659 CG2 THR A 114 20.356 -3.384 5.335 1.00 0.00 C ATOM 0 H THR A 114 17.471 -4.469 2.348 1.00 0.00 H new ATOM 0 HA THR A 114 18.099 -2.348 4.277 1.00 0.00 H new ATOM 0 HB THR A 114 19.772 -4.863 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 114 18.947 -5.423 6.040 1.00 0.00 H new ATOM 0 HG21 THR A 114 20.920 -4.084 5.952 1.00 0.00 H new ATOM 0 HG22 THR A 114 21.031 -2.892 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 114 19.886 -2.635 5.973 1.00 0.00 H new ATOM 1667 N VAL A 115 20.075 -1.549 2.894 1.00 0.00 N ATOM 1668 CA VAL A 115 20.986 -0.913 1.951 1.00 0.00 C ATOM 1669 C VAL A 115 22.387 -0.804 2.544 1.00 0.00 C ATOM 1670 O VAL A 115 22.562 -0.308 3.657 1.00 0.00 O ATOM 1671 CB VAL A 115 20.501 0.496 1.556 1.00 0.00 C ATOM 1672 CG1 VAL A 115 21.363 1.067 0.440 1.00 0.00 C ATOM 1673 CG2 VAL A 115 19.038 0.466 1.143 1.00 0.00 C ATOM 0 H VAL A 115 20.034 -1.095 3.807 1.00 0.00 H new ATOM 0 HA VAL A 115 21.010 -1.540 1.060 1.00 0.00 H new ATOM 0 HB VAL A 115 20.595 1.145 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 115 21.004 2.062 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.398 1.132 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 115 21.305 0.417 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 115 18.717 1.471 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 115 18.915 -0.200 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.432 0.106 1.975 1.00 0.00 H new ATOM 1683 N SER A 116 23.382 -1.271 1.795 1.00 0.00 N ATOM 1684 CA SER A 116 24.766 -1.223 2.250 1.00 0.00 C ATOM 1685 C SER A 116 25.711 -0.927 1.090 1.00 0.00 C ATOM 1686 O SER A 116 25.274 -0.701 -0.038 1.00 0.00 O ATOM 1687 CB SER A 116 25.153 -2.546 2.915 1.00 0.00 C ATOM 1688 OG SER A 116 25.913 -2.322 4.090 1.00 0.00 O ATOM 0 H SER A 116 23.255 -1.686 0.872 1.00 0.00 H new ATOM 0 HA SER A 116 24.854 -0.418 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 116 24.253 -3.110 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 116 25.728 -3.154 2.216 1.00 0.00 H new ATOM 0 HG SER A 116 26.147 -3.182 4.497 1.00 0.00 H new