USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot 11:sc= -7.77! USER MOD Set 1.2: A 74 GLN :FLIP amide:sc= -0.0288 F(o=-8.8,f=-7.8) USER MOD Single : A 34 MET CE :methyl -158:sc= -0.157 (180deg=-0.87) USER MOD Single : A 37 CYS SG : rot 180:sc= 0.088 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0693 USER MOD Single : A 40 GLN : amide:sc= -6.91! C(o=-6.9!,f=-11!) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.421 F(o=-1.1,f=-0.42) USER MOD Single : A 50 ASN : amide:sc= -1.48 K(o=-1.5,f=-10!) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.1) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= 0.104 (180deg=-0.478!) USER MOD Single : A 60 GLN : amide:sc=-0.00956 K(o=-0.0096,f=-0.87) USER MOD Single : A 61 CYS SG : rot 50:sc= 1.18 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -6.3! C(o=-6.3!,f=-8.1!) USER MOD Single : A 71 GLN :FLIP amide:sc= -1 F(o=-3.6!,f=-1) USER MOD Single : A 80 SER OG : rot -81:sc= 1.25 USER MOD Single : A 84 GLN : amide:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 150:sc= -1.05 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0761 X(o=-0.076,f=-0.051) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.688 F(o=-2,f=-0.69) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 104 MET CE :methyl -151:sc= -0.209 (180deg=-0.913) USER MOD Single : A 107 LYS NZ :NH3+ -110:sc= 0.801 (180deg=-0.313) USER MOD Single : A 109 ASN : amide:sc= -3.17 K(o=-3.2,f=-9.9!) USER MOD Single : A 115 LYS NZ :NH3+ -110:sc= 0.888 (180deg=-0.971!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 1.501 12.638 -6.496 1.00 0.00 N ATOM 2 CA MET A 34 2.086 11.407 -7.072 1.00 0.00 C ATOM 3 C MET A 34 1.833 10.211 -6.170 1.00 0.00 C ATOM 4 O MET A 34 2.454 10.071 -5.117 1.00 0.00 O ATOM 5 CB MET A 34 3.591 11.581 -7.291 1.00 0.00 C ATOM 6 CG MET A 34 3.935 12.355 -8.547 1.00 0.00 C ATOM 7 SD MET A 34 3.481 11.467 -10.049 1.00 0.00 S ATOM 8 CE MET A 34 4.540 10.027 -9.916 1.00 0.00 C ATOM 0 HA MET A 34 1.604 11.226 -8.033 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.018 12.094 -6.429 1.00 0.00 H new ATOM 0 HB3 MET A 34 4.059 10.598 -7.341 1.00 0.00 H new ATOM 0 HG2 MET A 34 3.424 13.317 -8.529 1.00 0.00 H new ATOM 0 HG3 MET A 34 5.005 12.563 -8.561 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.681 9.587 -10.903 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.507 10.323 -9.509 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.077 9.294 -9.255 1.00 0.00 H new ATOM 20 N ALA A 35 0.913 9.356 -6.582 1.00 0.00 N ATOM 21 CA ALA A 35 0.629 8.135 -5.852 1.00 0.00 C ATOM 22 C ALA A 35 1.712 7.103 -6.125 1.00 0.00 C ATOM 23 O ALA A 35 1.805 6.558 -7.226 1.00 0.00 O ATOM 24 CB ALA A 35 -0.735 7.596 -6.233 1.00 0.00 C ATOM 0 H ALA A 35 0.349 9.487 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 35 0.620 8.355 -4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.933 6.680 -5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.498 8.337 -5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.757 7.383 -7.302 1.00 0.00 H new ATOM 30 N GLU A 36 2.538 6.857 -5.127 1.00 0.00 N ATOM 31 CA GLU A 36 3.667 5.953 -5.268 1.00 0.00 C ATOM 32 C GLU A 36 3.320 4.568 -4.740 1.00 0.00 C ATOM 33 O GLU A 36 2.964 4.415 -3.576 1.00 0.00 O ATOM 34 CB GLU A 36 4.868 6.521 -4.522 1.00 0.00 C ATOM 35 CG GLU A 36 5.384 7.818 -5.121 1.00 0.00 C ATOM 36 CD GLU A 36 6.727 8.235 -4.560 1.00 0.00 C ATOM 37 OE1 GLU A 36 7.762 7.816 -5.121 1.00 0.00 O ATOM 38 OE2 GLU A 36 6.756 8.991 -3.565 1.00 0.00 O ATOM 0 H GLU A 36 2.448 7.274 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 36 3.912 5.857 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.593 6.693 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.670 5.783 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.467 7.705 -6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.658 8.610 -4.938 1.00 0.00 H new ATOM 45 N CYS A 37 3.438 3.562 -5.590 1.00 0.00 N ATOM 46 CA CYS A 37 3.015 2.215 -5.237 1.00 0.00 C ATOM 47 C CYS A 37 4.201 1.320 -4.885 1.00 0.00 C ATOM 48 O CYS A 37 5.278 1.422 -5.477 1.00 0.00 O ATOM 49 CB CYS A 37 2.215 1.607 -6.388 1.00 0.00 C ATOM 50 SG CYS A 37 3.020 1.766 -7.999 1.00 0.00 S ATOM 0 H CYS A 37 3.823 3.651 -6.530 1.00 0.00 H new ATOM 0 HA CYS A 37 2.385 2.283 -4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.043 0.551 -6.181 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.237 2.087 -6.432 1.00 0.00 H new ATOM 0 HG CYS A 37 2.273 1.222 -8.913 1.00 0.00 H new ATOM 56 N VAL A 38 3.992 0.449 -3.909 1.00 0.00 N ATOM 57 CA VAL A 38 4.991 -0.533 -3.515 1.00 0.00 C ATOM 58 C VAL A 38 4.351 -1.924 -3.484 1.00 0.00 C ATOM 59 O VAL A 38 3.173 -2.065 -3.151 1.00 0.00 O ATOM 60 CB VAL A 38 5.604 -0.191 -2.128 1.00 0.00 C ATOM 61 CG1 VAL A 38 4.530 -0.164 -1.049 1.00 0.00 C ATOM 62 CG2 VAL A 38 6.719 -1.166 -1.762 1.00 0.00 C ATOM 0 H VAL A 38 3.128 0.403 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 38 5.800 -0.518 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 38 6.041 0.805 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.985 0.078 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.784 0.591 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.051 -1.141 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.128 -0.901 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.319 -2.179 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.508 -1.115 -2.513 1.00 0.00 H new ATOM 72 N SER A 39 5.111 -2.946 -3.858 1.00 0.00 N ATOM 73 CA SER A 39 4.604 -4.307 -3.873 1.00 0.00 C ATOM 74 C SER A 39 4.775 -4.962 -2.506 1.00 0.00 C ATOM 75 O SER A 39 5.861 -5.416 -2.143 1.00 0.00 O ATOM 76 CB SER A 39 5.324 -5.108 -4.959 1.00 0.00 C ATOM 77 OG SER A 39 6.677 -4.692 -5.079 1.00 0.00 O ATOM 0 H SER A 39 6.082 -2.855 -4.155 1.00 0.00 H new ATOM 0 HA SER A 39 3.538 -4.289 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.285 -6.171 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.813 -4.978 -5.913 1.00 0.00 H new ATOM 0 HG SER A 39 7.120 -5.218 -5.777 1.00 0.00 H new ATOM 83 N GLN A 40 3.689 -5.012 -1.758 1.00 0.00 N ATOM 84 CA GLN A 40 3.701 -5.539 -0.405 1.00 0.00 C ATOM 85 C GLN A 40 2.789 -6.751 -0.301 1.00 0.00 C ATOM 86 O GLN A 40 1.684 -6.727 -0.815 1.00 0.00 O ATOM 87 CB GLN A 40 3.223 -4.442 0.550 1.00 0.00 C ATOM 88 CG GLN A 40 2.719 -4.944 1.896 1.00 0.00 C ATOM 89 CD GLN A 40 3.823 -5.257 2.888 1.00 0.00 C ATOM 90 OE1 GLN A 40 3.622 -5.147 4.093 1.00 0.00 O ATOM 91 NE2 GLN A 40 5.000 -5.608 2.401 1.00 0.00 N ATOM 0 H GLN A 40 2.773 -4.689 -2.070 1.00 0.00 H new ATOM 0 HA GLN A 40 4.712 -5.849 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.044 -3.746 0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.425 -3.880 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.058 -4.193 2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.121 -5.842 1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.131 -5.690 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.778 -5.797 3.033 1.00 0.00 H new ATOM 100 N ALA A 41 3.261 -7.821 0.313 1.00 0.00 N ATOM 101 CA ALA A 41 2.407 -8.954 0.624 1.00 0.00 C ATOM 102 C ALA A 41 2.382 -9.197 2.132 1.00 0.00 C ATOM 103 O ALA A 41 3.414 -9.073 2.797 1.00 0.00 O ATOM 104 CB ALA A 41 2.914 -10.181 -0.108 1.00 0.00 C ATOM 0 H ALA A 41 4.232 -7.930 0.607 1.00 0.00 H new ATOM 0 HA ALA A 41 1.389 -8.742 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.275 -11.033 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.898 -9.997 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.935 -10.397 0.207 1.00 0.00 H new ATOM 110 N ILE A 42 1.218 -9.570 2.667 1.00 0.00 N ATOM 111 CA ILE A 42 1.056 -9.694 4.123 1.00 0.00 C ATOM 112 C ILE A 42 0.006 -10.741 4.470 1.00 0.00 C ATOM 113 O ILE A 42 -0.728 -11.223 3.603 1.00 0.00 O ATOM 114 CB ILE A 42 0.634 -8.366 4.818 1.00 0.00 C ATOM 115 CG1 ILE A 42 -0.893 -8.224 4.861 1.00 0.00 C ATOM 116 CG2 ILE A 42 1.252 -7.161 4.138 1.00 0.00 C ATOM 117 CD1 ILE A 42 -1.365 -6.947 5.519 1.00 0.00 C ATOM 0 H ILE A 42 0.382 -9.790 2.126 1.00 0.00 H new ATOM 0 HA ILE A 42 2.041 -9.983 4.489 1.00 0.00 H new ATOM 0 HB ILE A 42 1.007 -8.407 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.282 -8.263 3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.314 -9.075 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.935 -6.252 4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.339 -7.239 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.927 -7.124 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.455 -6.916 5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.007 -6.914 6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.974 -6.089 4.971 1.00 0.00 H new ATOM 129 N ASP A 43 -0.056 -11.066 5.754 1.00 0.00 N ATOM 130 CA ASP A 43 -1.093 -11.933 6.297 1.00 0.00 C ATOM 131 C ASP A 43 -2.433 -11.217 6.292 1.00 0.00 C ATOM 132 O ASP A 43 -2.541 -10.121 6.832 1.00 0.00 O ATOM 133 CB ASP A 43 -0.736 -12.307 7.729 1.00 0.00 C ATOM 134 CG ASP A 43 0.153 -13.530 7.807 1.00 0.00 C ATOM 135 OD1 ASP A 43 1.345 -13.429 7.452 1.00 0.00 O ATOM 136 OD2 ASP A 43 -0.340 -14.601 8.208 1.00 0.00 O ATOM 0 H ASP A 43 0.613 -10.735 6.450 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.163 -12.829 5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.233 -11.466 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.651 -12.491 8.291 1.00 0.00 H new ATOM 141 N ILE A 44 -3.470 -11.817 5.712 1.00 0.00 N ATOM 142 CA ILE A 44 -4.756 -11.128 5.630 1.00 0.00 C ATOM 143 C ILE A 44 -5.659 -11.512 6.785 1.00 0.00 C ATOM 144 O ILE A 44 -6.667 -10.860 7.039 1.00 0.00 O ATOM 145 CB ILE A 44 -5.502 -11.410 4.317 1.00 0.00 C ATOM 146 CG1 ILE A 44 -6.419 -12.629 4.434 1.00 0.00 C ATOM 147 CG2 ILE A 44 -4.513 -11.609 3.190 1.00 0.00 C ATOM 148 CD1 ILE A 44 -7.342 -12.778 3.250 1.00 0.00 C ATOM 0 H ILE A 44 -3.450 -12.751 5.303 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.520 -10.065 5.673 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.129 -10.545 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.811 -13.528 4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.013 -12.546 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.052 -11.808 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.910 -10.709 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.864 -12.453 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.969 -13.659 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.972 -11.893 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.752 -12.890 2.340 1.00 0.00 H new ATOM 160 N ASN A 45 -5.316 -12.591 7.464 1.00 0.00 N ATOM 161 CA ASN A 45 -6.043 -12.990 8.653 1.00 0.00 C ATOM 162 C ASN A 45 -5.365 -12.333 9.849 1.00 0.00 C ATOM 163 O ASN A 45 -5.736 -12.549 11.000 1.00 0.00 O ATOM 164 CB ASN A 45 -6.023 -14.512 8.832 1.00 0.00 C ATOM 165 CG ASN A 45 -6.323 -15.279 7.562 1.00 0.00 C ATOM 166 OD1 ASN A 45 -5.281 -15.645 6.836 1.00 0.00 O flip ATOM 167 ND2 ASN A 45 -7.473 -15.558 7.247 1.00 0.00 N flip ATOM 0 H ASN A 45 -4.541 -13.205 7.213 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.084 -12.679 8.565 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.043 -14.812 9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.752 -14.789 9.594 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.250 -15.257 7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.654 -16.092 6.397 1.00 0.00 H new ATOM 174 N GLU A 46 -4.342 -11.541 9.532 1.00 0.00 N ATOM 175 CA GLU A 46 -3.539 -10.833 10.504 1.00 0.00 C ATOM 176 C GLU A 46 -3.599 -9.334 10.174 1.00 0.00 C ATOM 177 O GLU A 46 -4.124 -8.965 9.123 1.00 0.00 O ATOM 178 CB GLU A 46 -2.096 -11.358 10.444 1.00 0.00 C ATOM 179 CG GLU A 46 -1.548 -11.866 11.771 1.00 0.00 C ATOM 180 CD GLU A 46 -2.335 -13.024 12.341 1.00 0.00 C ATOM 181 OE1 GLU A 46 -1.995 -14.186 12.034 1.00 0.00 O ATOM 182 OE2 GLU A 46 -3.277 -12.783 13.120 1.00 0.00 O ATOM 0 H GLU A 46 -4.049 -11.376 8.569 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.915 -10.991 11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.048 -12.166 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.448 -10.560 10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.511 -12.173 11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.545 -11.048 12.492 1.00 0.00 H new ATOM 189 N PRO A 47 -3.066 -8.461 11.042 1.00 0.00 N ATOM 190 CA PRO A 47 -3.160 -6.995 10.899 1.00 0.00 C ATOM 191 C PRO A 47 -2.777 -6.487 9.512 1.00 0.00 C ATOM 192 O PRO A 47 -1.746 -6.868 8.972 1.00 0.00 O ATOM 193 CB PRO A 47 -2.140 -6.482 11.924 1.00 0.00 C ATOM 194 CG PRO A 47 -1.335 -7.678 12.301 1.00 0.00 C ATOM 195 CD PRO A 47 -2.288 -8.817 12.223 1.00 0.00 C ATOM 0 HA PRO A 47 -4.184 -6.654 11.050 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.510 -5.701 11.497 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.637 -6.051 12.793 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.494 -7.819 11.622 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.921 -7.576 13.304 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.777 -9.773 12.106 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.909 -8.895 13.116 1.00 0.00 H new ATOM 203 N ILE A 48 -3.604 -5.620 8.935 1.00 0.00 N ATOM 204 CA ILE A 48 -3.269 -5.003 7.653 1.00 0.00 C ATOM 205 C ILE A 48 -2.349 -3.805 7.868 1.00 0.00 C ATOM 206 O ILE A 48 -1.736 -3.295 6.933 1.00 0.00 O ATOM 207 CB ILE A 48 -4.533 -4.559 6.867 1.00 0.00 C ATOM 208 CG1 ILE A 48 -4.982 -3.146 7.234 1.00 0.00 C ATOM 209 CG2 ILE A 48 -5.672 -5.524 7.102 1.00 0.00 C ATOM 210 CD1 ILE A 48 -4.566 -2.113 6.220 1.00 0.00 C ATOM 0 H ILE A 48 -4.500 -5.331 9.327 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.757 -5.758 7.057 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.259 -4.560 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.067 -3.131 7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.567 -2.880 8.206 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.548 -5.196 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.380 -6.520 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.910 -5.554 8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.915 -1.130 6.538 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.479 -2.103 6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.003 -2.357 5.252 1.00 0.00 H new ATOM 222 N GLY A 49 -2.245 -3.369 9.116 1.00 0.00 N ATOM 223 CA GLY A 49 -1.456 -2.198 9.423 1.00 0.00 C ATOM 224 C GLY A 49 0.015 -2.497 9.498 1.00 0.00 C ATOM 225 O GLY A 49 0.820 -1.603 9.761 1.00 0.00 O ATOM 0 H GLY A 49 -2.694 -3.807 9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.630 -1.437 8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.787 -1.780 10.374 1.00 0.00 H new ATOM 229 N ASN A 50 0.385 -3.747 9.247 1.00 0.00 N ATOM 230 CA ASN A 50 1.780 -4.139 9.301 1.00 0.00 C ATOM 231 C ASN A 50 2.534 -3.592 8.091 1.00 0.00 C ATOM 232 O ASN A 50 3.755 -3.688 8.015 1.00 0.00 O ATOM 233 CB ASN A 50 1.922 -5.674 9.391 1.00 0.00 C ATOM 234 CG ASN A 50 1.276 -6.424 8.235 1.00 0.00 C ATOM 235 OD1 ASN A 50 1.199 -5.924 7.120 1.00 0.00 O ATOM 236 ND2 ASN A 50 0.803 -7.637 8.496 1.00 0.00 N ATOM 0 H ASN A 50 -0.260 -4.499 9.006 1.00 0.00 H new ATOM 0 HA ASN A 50 2.220 -3.712 10.202 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.981 -5.929 9.430 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.478 -6.016 10.326 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.359 -8.181 7.756 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.883 -8.024 9.436 1.00 0.00 H new ATOM 243 N LEU A 51 1.797 -2.988 7.158 1.00 0.00 N ATOM 244 CA LEU A 51 2.395 -2.359 5.981 1.00 0.00 C ATOM 245 C LEU A 51 3.374 -1.268 6.385 1.00 0.00 C ATOM 246 O LEU A 51 4.353 -1.006 5.692 1.00 0.00 O ATOM 247 CB LEU A 51 1.318 -1.771 5.062 1.00 0.00 C ATOM 248 CG LEU A 51 0.785 -2.718 3.985 1.00 0.00 C ATOM 249 CD1 LEU A 51 0.230 -3.983 4.600 1.00 0.00 C ATOM 250 CD2 LEU A 51 -0.280 -2.036 3.149 1.00 0.00 C ATOM 0 H LEU A 51 0.780 -2.921 7.196 1.00 0.00 H new ATOM 0 HA LEU A 51 2.935 -3.134 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.481 -1.440 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.725 -0.885 4.574 1.00 0.00 H new ATOM 0 HG LEU A 51 1.620 -2.987 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.142 -4.638 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.017 -4.494 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.586 -3.731 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.645 -2.728 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.107 -1.732 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.145 -1.157 2.665 1.00 0.00 H new ATOM 262 N LYS A 52 3.131 -0.662 7.535 1.00 0.00 N ATOM 263 CA LYS A 52 4.021 0.369 8.031 1.00 0.00 C ATOM 264 C LYS A 52 5.344 -0.256 8.448 1.00 0.00 C ATOM 265 O LYS A 52 6.381 0.391 8.447 1.00 0.00 O ATOM 266 CB LYS A 52 3.411 1.110 9.224 1.00 0.00 C ATOM 267 CG LYS A 52 2.220 1.989 8.873 1.00 0.00 C ATOM 268 CD LYS A 52 1.921 2.978 9.991 1.00 0.00 C ATOM 269 CE LYS A 52 1.598 2.276 11.293 1.00 0.00 C ATOM 270 NZ LYS A 52 1.592 3.205 12.454 1.00 0.00 N ATOM 0 H LYS A 52 2.332 -0.865 8.136 1.00 0.00 H new ATOM 0 HA LYS A 52 4.182 1.089 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.101 0.379 9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.181 1.729 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.423 2.530 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.345 1.365 8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.780 3.634 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.082 3.611 9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.623 1.796 11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.329 1.486 11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.251 2.703 13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.557 3.554 12.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.964 4.009 12.252 1.00 0.00 H new ATOM 284 N LYS A 53 5.285 -1.527 8.815 1.00 0.00 N ATOM 285 CA LYS A 53 6.450 -2.231 9.318 1.00 0.00 C ATOM 286 C LYS A 53 7.218 -2.930 8.194 1.00 0.00 C ATOM 287 O LYS A 53 8.443 -3.038 8.251 1.00 0.00 O ATOM 288 CB LYS A 53 6.029 -3.246 10.381 1.00 0.00 C ATOM 289 CG LYS A 53 4.975 -2.719 11.350 1.00 0.00 C ATOM 290 CD LYS A 53 5.375 -1.394 12.000 1.00 0.00 C ATOM 291 CE LYS A 53 6.456 -1.566 13.055 1.00 0.00 C ATOM 292 NZ LYS A 53 7.825 -1.656 12.477 1.00 0.00 N ATOM 0 H LYS A 53 4.437 -2.093 8.773 1.00 0.00 H new ATOM 0 HA LYS A 53 7.118 -1.495 9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.642 -4.137 9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.909 -3.552 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.033 -2.587 10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.800 -3.462 12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.729 -0.708 11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.497 -0.937 12.456 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.415 -0.726 13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.252 -2.467 13.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.522 -1.352 13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.020 -2.639 12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.890 -1.040 11.641 1.00 0.00 H new ATOM 306 N LEU A 54 6.504 -3.402 7.173 1.00 0.00 N ATOM 307 CA LEU A 54 7.133 -4.167 6.104 1.00 0.00 C ATOM 308 C LEU A 54 7.597 -3.254 4.972 1.00 0.00 C ATOM 309 O LEU A 54 8.533 -3.584 4.246 1.00 0.00 O ATOM 310 CB LEU A 54 6.184 -5.237 5.552 1.00 0.00 C ATOM 311 CG LEU A 54 6.010 -6.519 6.389 1.00 0.00 C ATOM 312 CD1 LEU A 54 5.385 -6.234 7.741 1.00 0.00 C ATOM 313 CD2 LEU A 54 5.160 -7.524 5.628 1.00 0.00 C ATOM 0 H LEU A 54 5.498 -3.268 7.066 1.00 0.00 H new ATOM 0 HA LEU A 54 8.004 -4.663 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.202 -4.783 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.538 -5.525 4.562 1.00 0.00 H new ATOM 0 HG LEU A 54 7.002 -6.934 6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.281 -7.166 8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.022 -5.547 8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.402 -5.784 7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.042 -8.427 6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.180 -7.092 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.648 -7.774 4.686 1.00 0.00 H new ATOM 325 N LEU A 55 6.945 -2.105 4.818 1.00 0.00 N ATOM 326 CA LEU A 55 7.379 -1.122 3.828 1.00 0.00 C ATOM 327 C LEU A 55 8.304 -0.106 4.478 1.00 0.00 C ATOM 328 O LEU A 55 8.865 0.763 3.810 1.00 0.00 O ATOM 329 CB LEU A 55 6.189 -0.429 3.155 1.00 0.00 C ATOM 330 CG LEU A 55 5.426 -1.291 2.147 1.00 0.00 C ATOM 331 CD1 LEU A 55 6.367 -2.271 1.463 1.00 0.00 C ATOM 332 CD2 LEU A 55 4.282 -2.021 2.816 1.00 0.00 C ATOM 0 H LEU A 55 6.124 -1.833 5.358 1.00 0.00 H new ATOM 0 HA LEU A 55 7.925 -1.648 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.495 -0.100 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.548 0.466 2.647 1.00 0.00 H new ATOM 0 HG LEU A 55 5.004 -0.633 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.807 -2.876 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.147 -1.720 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.822 -2.921 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.756 -2.627 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.673 -2.666 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.592 -1.297 3.250 1.00 0.00 H new ATOM 344 N GLU A 56 8.444 -0.234 5.793 1.00 0.00 N ATOM 345 CA GLU A 56 9.415 0.525 6.580 1.00 0.00 C ATOM 346 C GLU A 56 10.797 0.538 5.906 1.00 0.00 C ATOM 347 O GLU A 56 11.365 1.611 5.690 1.00 0.00 O ATOM 348 CB GLU A 56 9.480 -0.081 7.988 1.00 0.00 C ATOM 349 CG GLU A 56 10.101 0.803 9.051 1.00 0.00 C ATOM 350 CD GLU A 56 10.020 0.158 10.423 1.00 0.00 C ATOM 351 OE1 GLU A 56 10.929 -0.626 10.767 1.00 0.00 O ATOM 352 OE2 GLU A 56 9.032 0.406 11.151 1.00 0.00 O ATOM 0 H GLU A 56 7.880 -0.875 6.351 1.00 0.00 H new ATOM 0 HA GLU A 56 9.097 1.565 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.468 -0.339 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.045 -1.012 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.143 0.999 8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.591 1.766 9.069 1.00 0.00 H new ATOM 359 N PRO A 57 11.363 -0.637 5.550 1.00 0.00 N ATOM 360 CA PRO A 57 12.638 -0.696 4.827 1.00 0.00 C ATOM 361 C PRO A 57 12.492 -0.286 3.365 1.00 0.00 C ATOM 362 O PRO A 57 13.394 0.307 2.778 1.00 0.00 O ATOM 363 CB PRO A 57 13.025 -2.171 4.914 1.00 0.00 C ATOM 364 CG PRO A 57 11.732 -2.890 5.043 1.00 0.00 C ATOM 365 CD PRO A 57 10.841 -1.989 5.842 1.00 0.00 C ATOM 0 HA PRO A 57 13.376 -0.015 5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.570 -2.491 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.672 -2.361 5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.301 -3.098 4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.866 -3.850 5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.798 -2.089 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.891 -2.217 6.907 1.00 0.00 H new ATOM 373 N ARG A 58 11.335 -0.597 2.794 1.00 0.00 N ATOM 374 CA ARG A 58 11.100 -0.407 1.369 1.00 0.00 C ATOM 375 C ARG A 58 11.045 1.063 0.978 1.00 0.00 C ATOM 376 O ARG A 58 11.638 1.470 -0.017 1.00 0.00 O ATOM 377 CB ARG A 58 9.787 -1.072 0.970 1.00 0.00 C ATOM 378 CG ARG A 58 9.872 -2.584 0.835 1.00 0.00 C ATOM 379 CD ARG A 58 10.868 -3.000 -0.235 1.00 0.00 C ATOM 380 NE ARG A 58 10.553 -2.410 -1.538 1.00 0.00 N ATOM 381 CZ ARG A 58 10.480 -3.104 -2.673 1.00 0.00 C ATOM 382 NH1 ARG A 58 10.631 -4.423 -2.662 1.00 0.00 N ATOM 383 NH2 ARG A 58 10.230 -2.476 -3.814 1.00 0.00 N ATOM 0 H ARG A 58 10.539 -0.985 3.301 1.00 0.00 H new ATOM 0 HA ARG A 58 11.940 -0.863 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.028 -0.827 1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.453 -0.652 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.163 -3.018 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.888 -2.983 0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.871 -2.698 0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.875 -4.087 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 58 10.379 -1.406 -1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.804 -4.909 -1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.574 -4.950 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.094 -1.465 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.173 -3.004 -4.685 1.00 0.00 H new ATOM 397 N LEU A 59 10.335 1.854 1.755 1.00 0.00 N ATOM 398 CA LEU A 59 10.162 3.255 1.426 1.00 0.00 C ATOM 399 C LEU A 59 11.199 4.109 2.136 1.00 0.00 C ATOM 400 O LEU A 59 11.344 5.297 1.843 1.00 0.00 O ATOM 401 CB LEU A 59 8.752 3.727 1.791 1.00 0.00 C ATOM 402 CG LEU A 59 7.611 3.030 1.044 1.00 0.00 C ATOM 403 CD1 LEU A 59 6.269 3.612 1.462 1.00 0.00 C ATOM 404 CD2 LEU A 59 7.799 3.161 -0.461 1.00 0.00 C ATOM 0 H LEU A 59 9.871 1.555 2.613 1.00 0.00 H new ATOM 0 HA LEU A 59 10.299 3.366 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.605 3.582 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.686 4.798 1.602 1.00 0.00 H new ATOM 0 HG LEU A 59 7.627 1.971 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.469 3.106 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.129 3.471 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.246 4.677 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.979 2.660 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.809 4.216 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.744 2.701 -0.751 1.00 0.00 H new ATOM 416 N GLN A 60 11.920 3.482 3.073 1.00 0.00 N ATOM 417 CA GLN A 60 12.907 4.175 3.903 1.00 0.00 C ATOM 418 C GLN A 60 12.246 5.346 4.620 1.00 0.00 C ATOM 419 O GLN A 60 12.856 6.383 4.868 1.00 0.00 O ATOM 420 CB GLN A 60 14.082 4.647 3.045 1.00 0.00 C ATOM 421 CG GLN A 60 14.810 3.506 2.356 1.00 0.00 C ATOM 422 CD GLN A 60 15.822 3.986 1.335 1.00 0.00 C ATOM 423 OE1 GLN A 60 15.650 5.038 0.713 1.00 0.00 O ATOM 424 NE2 GLN A 60 16.889 3.224 1.157 1.00 0.00 N ATOM 0 H GLN A 60 11.835 2.486 3.275 1.00 0.00 H new ATOM 0 HA GLN A 60 13.295 3.486 4.653 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.717 5.345 2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.786 5.194 3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.317 2.899 3.106 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.082 2.861 1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.994 2.361 1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.606 3.499 0.486 1.00 0.00 H new ATOM 433 N CYS A 61 10.977 5.150 4.930 1.00 0.00 N ATOM 434 CA CYS A 61 10.161 6.200 5.519 1.00 0.00 C ATOM 435 C CYS A 61 9.673 5.822 6.910 1.00 0.00 C ATOM 436 O CYS A 61 9.669 4.649 7.282 1.00 0.00 O ATOM 437 CB CYS A 61 8.958 6.492 4.620 1.00 0.00 C ATOM 438 SG CYS A 61 9.381 7.223 3.020 1.00 0.00 S ATOM 0 H CYS A 61 10.486 4.268 4.783 1.00 0.00 H new ATOM 0 HA CYS A 61 10.784 7.090 5.609 1.00 0.00 H new ATOM 0 HB2 CYS A 61 8.414 5.563 4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.282 7.166 5.146 1.00 0.00 H new ATOM 0 HG CYS A 61 10.319 6.521 2.456 1.00 0.00 H new ATOM 444 N SER A 62 9.300 6.831 7.685 1.00 0.00 N ATOM 445 CA SER A 62 8.582 6.619 8.925 1.00 0.00 C ATOM 446 C SER A 62 7.093 6.573 8.612 1.00 0.00 C ATOM 447 O SER A 62 6.469 7.600 8.354 1.00 0.00 O ATOM 448 CB SER A 62 8.894 7.736 9.920 1.00 0.00 C ATOM 449 OG SER A 62 10.290 7.837 10.140 1.00 0.00 O ATOM 0 H SER A 62 9.487 7.811 7.471 1.00 0.00 H new ATOM 0 HA SER A 62 8.891 5.678 9.381 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.511 8.684 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.385 7.541 10.864 1.00 0.00 H new ATOM 0 HG SER A 62 10.469 8.559 10.778 1.00 0.00 H new ATOM 455 N LEU A 63 6.539 5.373 8.634 1.00 0.00 N ATOM 456 CA LEU A 63 5.179 5.145 8.150 1.00 0.00 C ATOM 457 C LEU A 63 4.134 5.561 9.179 1.00 0.00 C ATOM 458 O LEU A 63 2.948 5.560 8.886 1.00 0.00 O ATOM 459 CB LEU A 63 4.951 3.675 7.776 1.00 0.00 C ATOM 460 CG LEU A 63 5.696 3.131 6.547 1.00 0.00 C ATOM 461 CD1 LEU A 63 5.556 4.050 5.348 1.00 0.00 C ATOM 462 CD2 LEU A 63 7.152 2.881 6.862 1.00 0.00 C ATOM 0 H LEU A 63 7.008 4.536 8.982 1.00 0.00 H new ATOM 0 HA LEU A 63 5.066 5.763 7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.227 3.063 8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.883 3.531 7.612 1.00 0.00 H new ATOM 0 HG LEU A 63 5.233 2.180 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.097 3.628 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.502 4.153 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.968 5.030 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.655 2.496 5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.623 3.814 7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.230 2.152 7.668 1.00 0.00 H new ATOM 474 N ASP A 64 4.570 5.964 10.364 1.00 0.00 N ATOM 475 CA ASP A 64 3.647 6.170 11.483 1.00 0.00 C ATOM 476 C ASP A 64 2.893 7.492 11.374 1.00 0.00 C ATOM 477 O ASP A 64 2.159 7.880 12.286 1.00 0.00 O ATOM 478 CB ASP A 64 4.385 6.087 12.817 1.00 0.00 C ATOM 479 CG ASP A 64 4.899 4.690 13.095 1.00 0.00 C ATOM 480 OD1 ASP A 64 4.068 3.777 13.266 1.00 0.00 O ATOM 481 OD2 ASP A 64 6.137 4.502 13.135 1.00 0.00 O ATOM 0 H ASP A 64 5.548 6.155 10.580 1.00 0.00 H new ATOM 0 HA ASP A 64 2.909 5.369 11.437 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.221 6.787 12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.716 6.394 13.621 1.00 0.00 H new ATOM 486 N ALA A 65 3.082 8.186 10.266 1.00 0.00 N ATOM 487 CA ALA A 65 2.299 9.373 9.965 1.00 0.00 C ATOM 488 C ALA A 65 1.161 8.991 9.027 1.00 0.00 C ATOM 489 O ALA A 65 0.034 9.477 9.143 1.00 0.00 O ATOM 490 CB ALA A 65 3.171 10.454 9.343 1.00 0.00 C ATOM 0 H ALA A 65 3.774 7.947 9.556 1.00 0.00 H new ATOM 0 HA ALA A 65 1.886 9.777 10.890 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.563 11.332 9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.966 10.725 10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.610 10.080 8.418 1.00 0.00 H new ATOM 496 N HIS A 66 1.480 8.093 8.118 1.00 0.00 N ATOM 497 CA HIS A 66 0.552 7.656 7.093 1.00 0.00 C ATOM 498 C HIS A 66 -0.131 6.339 7.411 1.00 0.00 C ATOM 499 O HIS A 66 0.496 5.309 7.644 1.00 0.00 O ATOM 500 CB HIS A 66 1.183 7.682 5.689 1.00 0.00 C ATOM 501 CG HIS A 66 2.670 7.482 5.608 1.00 0.00 C ATOM 502 ND1 HIS A 66 3.537 8.289 6.308 1.00 0.00 N ATOM 503 CD2 HIS A 66 3.384 6.674 4.801 1.00 0.00 C ATOM 504 CE1 HIS A 66 4.746 7.960 5.903 1.00 0.00 C ATOM 505 NE2 HIS A 66 4.707 6.988 4.985 1.00 0.00 N ATOM 0 H HIS A 66 2.394 7.643 8.068 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.251 8.393 7.087 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.704 6.910 5.087 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.944 8.640 5.227 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.990 5.921 4.135 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.654 8.417 6.266 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.505 6.563 4.513 1.00 0.00 H new ATOM 513 N GLU A 67 -1.452 6.416 7.401 1.00 0.00 N ATOM 514 CA GLU A 67 -2.315 5.311 7.779 1.00 0.00 C ATOM 515 C GLU A 67 -2.605 4.428 6.576 1.00 0.00 C ATOM 516 O GLU A 67 -2.449 4.850 5.434 1.00 0.00 O ATOM 517 CB GLU A 67 -3.622 5.854 8.362 1.00 0.00 C ATOM 518 CG GLU A 67 -4.296 6.901 7.492 1.00 0.00 C ATOM 519 CD GLU A 67 -5.627 7.350 8.052 1.00 0.00 C ATOM 520 OE1 GLU A 67 -5.640 8.256 8.913 1.00 0.00 O ATOM 521 OE2 GLU A 67 -6.663 6.785 7.649 1.00 0.00 O ATOM 0 H GLU A 67 -1.960 7.257 7.127 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.808 4.709 8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.312 5.024 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.419 6.286 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.638 7.764 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.445 6.496 6.491 1.00 0.00 H new ATOM 528 N ILE A 68 -3.036 3.204 6.833 1.00 0.00 N ATOM 529 CA ILE A 68 -3.244 2.244 5.761 1.00 0.00 C ATOM 530 C ILE A 68 -4.658 2.363 5.196 1.00 0.00 C ATOM 531 O ILE A 68 -5.593 2.757 5.903 1.00 0.00 O ATOM 532 CB ILE A 68 -3.010 0.792 6.220 1.00 0.00 C ATOM 533 CG1 ILE A 68 -2.136 0.723 7.480 1.00 0.00 C ATOM 534 CG2 ILE A 68 -2.357 0.008 5.092 1.00 0.00 C ATOM 535 CD1 ILE A 68 -0.687 1.101 7.257 1.00 0.00 C ATOM 0 H ILE A 68 -3.247 2.853 7.767 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.512 2.481 4.989 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.977 0.356 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.559 1.383 8.237 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.177 -0.290 7.881 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.190 -1.020 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.010 0.014 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.403 0.468 4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.142 1.025 8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.243 0.426 6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.631 2.125 6.887 1.00 0.00 H new ATOM 547 N CYS A 69 -4.805 2.013 3.927 1.00 0.00 N ATOM 548 CA CYS A 69 -6.049 2.182 3.207 1.00 0.00 C ATOM 549 C CYS A 69 -6.144 1.170 2.084 1.00 0.00 C ATOM 550 O CYS A 69 -5.188 0.452 1.806 1.00 0.00 O ATOM 551 CB CYS A 69 -6.142 3.595 2.638 1.00 0.00 C ATOM 552 SG CYS A 69 -6.398 4.861 3.895 1.00 0.00 S ATOM 0 H CYS A 69 -4.057 1.602 3.368 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.876 2.024 3.900 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.227 3.818 2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.961 3.636 1.920 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.228 4.342 5.075 1.00 0.00 H new ATOM 558 N LEU A 70 -7.302 1.095 1.462 1.00 0.00 N ATOM 559 CA LEU A 70 -7.519 0.192 0.359 1.00 0.00 C ATOM 560 C LEU A 70 -8.393 0.855 -0.682 1.00 0.00 C ATOM 561 O LEU A 70 -9.546 1.155 -0.409 1.00 0.00 O ATOM 562 CB LEU A 70 -8.202 -1.062 0.866 1.00 0.00 C ATOM 563 CG LEU A 70 -7.911 -2.302 0.056 1.00 0.00 C ATOM 564 CD1 LEU A 70 -7.950 -3.507 0.961 1.00 0.00 C ATOM 565 CD2 LEU A 70 -8.907 -2.458 -1.080 1.00 0.00 C ATOM 0 H LEU A 70 -8.116 1.658 1.709 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.560 -0.067 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.895 -1.236 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.279 -0.895 0.878 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.919 -2.211 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.740 -4.405 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.200 -3.398 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.938 -3.590 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.674 -3.359 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.915 -2.536 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.848 -1.590 -1.737 1.00 0.00 H new ATOM 577 N GLN A 71 -7.837 1.093 -1.865 1.00 0.00 N ATOM 578 CA GLN A 71 -8.561 1.778 -2.932 1.00 0.00 C ATOM 579 C GLN A 71 -9.153 3.082 -2.407 1.00 0.00 C ATOM 580 O GLN A 71 -10.282 3.454 -2.732 1.00 0.00 O ATOM 581 CB GLN A 71 -9.635 0.854 -3.517 1.00 0.00 C ATOM 582 CG GLN A 71 -9.048 -0.255 -4.382 1.00 0.00 C ATOM 583 CD GLN A 71 -9.811 -1.561 -4.283 1.00 0.00 C ATOM 584 OE1 GLN A 71 -9.107 -2.668 -4.486 1.00 0.00 O flip ATOM 585 NE2 GLN A 71 -11.016 -1.578 -4.036 1.00 0.00 N flip ATOM 0 H GLN A 71 -6.885 0.821 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.872 2.030 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.209 0.410 -2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.331 1.444 -4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.036 0.073 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.012 -0.425 -4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.518 -0.703 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.513 -2.467 -3.981 1.00 0.00 H new ATOM 594 N ASP A 72 -8.367 3.723 -1.530 1.00 0.00 N ATOM 595 CA ASP A 72 -8.663 5.050 -0.966 1.00 0.00 C ATOM 596 C ASP A 72 -9.491 4.939 0.315 1.00 0.00 C ATOM 597 O ASP A 72 -9.448 5.833 1.161 1.00 0.00 O ATOM 598 CB ASP A 72 -9.329 5.984 -1.997 1.00 0.00 C ATOM 599 CG ASP A 72 -9.816 7.291 -1.403 1.00 0.00 C ATOM 600 OD1 ASP A 72 -8.992 8.217 -1.239 1.00 0.00 O ATOM 601 OD2 ASP A 72 -11.029 7.404 -1.126 1.00 0.00 O ATOM 0 H ASP A 72 -7.492 3.328 -1.186 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.709 5.505 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.617 6.199 -2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.172 5.465 -2.454 1.00 0.00 H new ATOM 606 N ILE A 73 -10.199 3.825 0.486 1.00 0.00 N ATOM 607 CA ILE A 73 -10.937 3.575 1.721 1.00 0.00 C ATOM 608 C ILE A 73 -9.951 3.314 2.841 1.00 0.00 C ATOM 609 O ILE A 73 -9.070 2.480 2.699 1.00 0.00 O ATOM 610 CB ILE A 73 -11.833 2.325 1.641 1.00 0.00 C ATOM 611 CG1 ILE A 73 -12.324 2.058 0.224 1.00 0.00 C ATOM 612 CG2 ILE A 73 -13.018 2.473 2.583 1.00 0.00 C ATOM 613 CD1 ILE A 73 -12.655 0.597 0.004 1.00 0.00 C ATOM 0 H ILE A 73 -10.277 3.085 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.558 4.454 1.892 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.228 1.470 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.208 2.664 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.560 2.368 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.646 1.584 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.658 2.591 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.600 3.350 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -13.001 0.452 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.764 -0.008 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.438 0.293 0.698 1.00 0.00 H new ATOM 625 N GLN A 74 -10.092 4.004 3.944 1.00 0.00 N ATOM 626 CA GLN A 74 -9.199 3.786 5.068 1.00 0.00 C ATOM 627 C GLN A 74 -9.516 2.467 5.776 1.00 0.00 C ATOM 628 O GLN A 74 -10.668 2.029 5.826 1.00 0.00 O ATOM 629 CB GLN A 74 -9.220 4.964 6.051 1.00 0.00 C ATOM 630 CG GLN A 74 -10.458 5.845 5.976 1.00 0.00 C ATOM 631 CD GLN A 74 -10.298 7.035 5.036 1.00 0.00 C ATOM 632 OE1 GLN A 74 -9.483 6.901 3.994 1.00 0.00 O flip ATOM 633 NE2 GLN A 74 -10.901 8.084 5.254 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.807 4.716 4.094 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.187 3.718 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.132 4.573 7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.341 5.583 5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.304 5.242 5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.696 6.210 6.975 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.520 8.158 6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.782 8.880 4.627 1.00 0.00 H new ATOM 642 N LEU A 75 -8.471 1.846 6.306 1.00 0.00 N ATOM 643 CA LEU A 75 -8.553 0.524 6.921 1.00 0.00 C ATOM 644 C LEU A 75 -8.135 0.607 8.382 1.00 0.00 C ATOM 645 O LEU A 75 -7.768 1.680 8.862 1.00 0.00 O ATOM 646 CB LEU A 75 -7.640 -0.451 6.163 1.00 0.00 C ATOM 647 CG LEU A 75 -8.131 -0.867 4.773 1.00 0.00 C ATOM 648 CD1 LEU A 75 -6.985 -1.362 3.914 1.00 0.00 C ATOM 649 CD2 LEU A 75 -9.175 -1.957 4.889 1.00 0.00 C ATOM 0 H LEU A 75 -7.533 2.247 6.322 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.580 0.163 6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.656 0.006 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.513 -1.349 6.768 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.570 0.012 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.363 -1.650 2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.247 -0.568 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.519 -2.224 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.515 -2.243 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.742 -2.824 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.021 -1.590 5.470 1.00 0.00 H new ATOM 661 N ASP A 76 -8.181 -0.512 9.090 1.00 0.00 N ATOM 662 CA ASP A 76 -7.779 -0.540 10.479 1.00 0.00 C ATOM 663 C ASP A 76 -6.547 -1.404 10.631 1.00 0.00 C ATOM 664 O ASP A 76 -6.621 -2.623 10.499 1.00 0.00 O ATOM 665 CB ASP A 76 -8.894 -1.087 11.372 1.00 0.00 C ATOM 666 CG ASP A 76 -9.672 0.001 12.079 1.00 0.00 C ATOM 667 OD1 ASP A 76 -9.193 0.489 13.122 1.00 0.00 O ATOM 668 OD2 ASP A 76 -10.769 0.364 11.606 1.00 0.00 O ATOM 0 H ASP A 76 -8.493 -1.410 8.721 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.563 0.482 10.789 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.579 -1.681 10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.461 -1.758 12.114 1.00 0.00 H new ATOM 673 N PRO A 77 -5.394 -0.768 10.863 1.00 0.00 N ATOM 674 CA PRO A 77 -4.135 -1.459 11.177 1.00 0.00 C ATOM 675 C PRO A 77 -4.309 -2.506 12.275 1.00 0.00 C ATOM 676 O PRO A 77 -3.591 -3.505 12.315 1.00 0.00 O ATOM 677 CB PRO A 77 -3.234 -0.324 11.664 1.00 0.00 C ATOM 678 CG PRO A 77 -3.743 0.891 10.966 1.00 0.00 C ATOM 679 CD PRO A 77 -5.225 0.693 10.800 1.00 0.00 C ATOM 0 HA PRO A 77 -3.739 -2.006 10.321 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.290 -0.211 12.747 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.190 -0.514 11.417 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.533 1.789 11.547 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.257 1.016 9.999 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.786 1.195 11.588 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.578 1.096 9.851 1.00 0.00 H new ATOM 687 N ASP A 78 -5.283 -2.264 13.145 1.00 0.00 N ATOM 688 CA ASP A 78 -5.602 -3.162 14.251 1.00 0.00 C ATOM 689 C ASP A 78 -6.288 -4.433 13.768 1.00 0.00 C ATOM 690 O ASP A 78 -6.288 -5.451 14.458 1.00 0.00 O ATOM 691 CB ASP A 78 -6.531 -2.458 15.232 1.00 0.00 C ATOM 692 CG ASP A 78 -5.828 -1.403 16.054 1.00 0.00 C ATOM 693 OD1 ASP A 78 -5.159 -1.766 17.046 1.00 0.00 O ATOM 694 OD2 ASP A 78 -5.947 -0.206 15.722 1.00 0.00 O ATOM 0 H ASP A 78 -5.877 -1.436 13.104 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.662 -3.433 14.732 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.350 -1.996 14.681 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.973 -3.197 15.900 1.00 0.00 H new ATOM 699 N ARG A 79 -6.871 -4.369 12.588 1.00 0.00 N ATOM 700 CA ARG A 79 -7.696 -5.450 12.082 1.00 0.00 C ATOM 701 C ARG A 79 -7.097 -6.028 10.805 1.00 0.00 C ATOM 702 O ARG A 79 -6.216 -5.421 10.194 1.00 0.00 O ATOM 703 CB ARG A 79 -9.105 -4.932 11.815 1.00 0.00 C ATOM 704 CG ARG A 79 -9.876 -4.538 13.063 1.00 0.00 C ATOM 705 CD ARG A 79 -11.272 -4.073 12.699 1.00 0.00 C ATOM 706 NE ARG A 79 -12.045 -3.633 13.857 1.00 0.00 N ATOM 707 CZ ARG A 79 -12.837 -2.563 13.844 1.00 0.00 C ATOM 708 NH1 ARG A 79 -12.887 -1.789 12.767 1.00 0.00 N ATOM 709 NH2 ARG A 79 -13.569 -2.261 14.908 1.00 0.00 N ATOM 0 H ARG A 79 -6.788 -3.573 11.956 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.738 -6.243 12.829 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.042 -4.068 11.154 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.667 -5.700 11.283 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.935 -5.387 13.744 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.347 -3.743 13.589 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.201 -3.254 11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.802 -4.886 12.202 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.975 -4.173 14.720 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.319 -2.014 11.950 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.493 -0.969 12.756 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.526 -2.849 15.740 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.175 -1.440 14.894 1.00 0.00 H new ATOM 723 N SER A 80 -7.560 -7.207 10.413 1.00 0.00 N ATOM 724 CA SER A 80 -7.039 -7.893 9.240 1.00 0.00 C ATOM 725 C SER A 80 -7.893 -7.651 7.989 1.00 0.00 C ATOM 726 O SER A 80 -8.887 -6.945 8.052 1.00 0.00 O ATOM 727 CB SER A 80 -7.001 -9.384 9.546 1.00 0.00 C ATOM 728 OG SER A 80 -8.302 -9.885 9.815 1.00 0.00 O ATOM 0 H SER A 80 -8.303 -7.712 10.896 1.00 0.00 H new ATOM 0 HA SER A 80 -6.044 -7.502 9.026 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.569 -9.921 8.701 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.354 -9.566 10.404 1.00 0.00 H new ATOM 0 HG SER A 80 -8.542 -9.689 10.745 1.00 0.00 H new ATOM 734 N LEU A 81 -7.474 -8.210 6.848 1.00 0.00 N ATOM 735 CA LEU A 81 -8.326 -8.254 5.651 1.00 0.00 C ATOM 736 C LEU A 81 -9.603 -9.030 5.951 1.00 0.00 C ATOM 737 O LEU A 81 -10.688 -8.673 5.501 1.00 0.00 O ATOM 738 CB LEU A 81 -7.605 -8.900 4.462 1.00 0.00 C ATOM 739 CG LEU A 81 -6.814 -7.964 3.538 1.00 0.00 C ATOM 740 CD1 LEU A 81 -5.677 -7.279 4.270 1.00 0.00 C ATOM 741 CD2 LEU A 81 -6.275 -8.742 2.347 1.00 0.00 C ATOM 0 H LEU A 81 -6.555 -8.636 6.727 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.568 -7.226 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.919 -9.653 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.347 -9.424 3.859 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.496 -7.189 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.142 -6.625 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.078 -6.688 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.992 -8.030 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.715 -8.070 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.618 -9.537 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.105 -9.177 1.791 1.00 0.00 H new ATOM 753 N PHE A 82 -9.459 -10.088 6.731 1.00 0.00 N ATOM 754 CA PHE A 82 -10.606 -10.818 7.255 1.00 0.00 C ATOM 755 C PHE A 82 -11.466 -9.946 8.172 1.00 0.00 C ATOM 756 O PHE A 82 -12.579 -10.319 8.538 1.00 0.00 O ATOM 757 CB PHE A 82 -10.173 -12.090 7.983 1.00 0.00 C ATOM 758 CG PHE A 82 -10.123 -13.304 7.113 1.00 0.00 C ATOM 759 CD1 PHE A 82 -9.491 -13.286 5.889 1.00 0.00 C ATOM 760 CD2 PHE A 82 -10.737 -14.473 7.530 1.00 0.00 C ATOM 761 CE1 PHE A 82 -9.473 -14.414 5.089 1.00 0.00 C ATOM 762 CE2 PHE A 82 -10.720 -15.604 6.739 1.00 0.00 C ATOM 763 CZ PHE A 82 -10.085 -15.574 5.516 1.00 0.00 C ATOM 0 H PHE A 82 -8.555 -10.464 7.018 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.215 -11.104 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.187 -11.928 8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -10.861 -12.276 8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.005 -12.383 5.551 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.236 -14.500 8.487 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -8.979 -14.387 4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.202 -16.509 7.077 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.067 -16.456 4.894 1.00 0.00 H new ATOM 773 N ASP A 83 -10.918 -8.831 8.598 1.00 0.00 N ATOM 774 CA ASP A 83 -11.683 -7.850 9.349 1.00 0.00 C ATOM 775 C ASP A 83 -12.042 -6.649 8.473 1.00 0.00 C ATOM 776 O ASP A 83 -12.869 -5.818 8.851 1.00 0.00 O ATOM 777 CB ASP A 83 -10.899 -7.388 10.573 1.00 0.00 C ATOM 778 CG ASP A 83 -10.720 -8.468 11.623 1.00 0.00 C ATOM 779 OD1 ASP A 83 -11.733 -8.945 12.180 1.00 0.00 O ATOM 780 OD2 ASP A 83 -9.555 -8.821 11.917 1.00 0.00 O ATOM 0 H ASP A 83 -9.943 -8.576 8.439 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.608 -8.324 9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.918 -7.037 10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.411 -6.537 11.022 1.00 0.00 H new ATOM 785 N GLN A 84 -11.413 -6.564 7.304 1.00 0.00 N ATOM 786 CA GLN A 84 -11.637 -5.458 6.379 1.00 0.00 C ATOM 787 C GLN A 84 -11.626 -5.927 4.932 1.00 0.00 C ATOM 788 O GLN A 84 -10.562 -6.048 4.320 1.00 0.00 O ATOM 789 CB GLN A 84 -10.558 -4.384 6.523 1.00 0.00 C ATOM 790 CG GLN A 84 -10.840 -3.316 7.566 1.00 0.00 C ATOM 791 CD GLN A 84 -10.142 -3.566 8.878 1.00 0.00 C ATOM 792 OE1 GLN A 84 -10.646 -3.195 9.930 1.00 0.00 O ATOM 793 NE2 GLN A 84 -8.967 -4.180 8.827 1.00 0.00 N ATOM 0 H GLN A 84 -10.739 -7.254 6.973 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.615 -5.047 6.631 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.615 -4.871 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.421 -3.898 5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.530 -2.346 7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.915 -3.261 7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.583 -4.473 7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.448 -4.359 9.686 1.00 0.00 H new ATOM 802 N GLY A 85 -12.793 -6.198 4.384 1.00 0.00 N ATOM 803 CA GLY A 85 -12.876 -6.444 2.962 1.00 0.00 C ATOM 804 C GLY A 85 -13.003 -7.905 2.597 1.00 0.00 C ATOM 805 O GLY A 85 -14.108 -8.450 2.567 1.00 0.00 O ATOM 0 H GLY A 85 -13.678 -6.253 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.733 -5.904 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.987 -6.036 2.481 1.00 0.00 H new ATOM 809 N VAL A 86 -11.876 -8.559 2.336 1.00 0.00 N ATOM 810 CA VAL A 86 -11.896 -9.862 1.695 1.00 0.00 C ATOM 811 C VAL A 86 -11.851 -10.998 2.699 1.00 0.00 C ATOM 812 O VAL A 86 -11.202 -10.910 3.741 1.00 0.00 O ATOM 813 CB VAL A 86 -10.716 -10.038 0.711 1.00 0.00 C ATOM 814 CG1 VAL A 86 -10.733 -8.955 -0.356 1.00 0.00 C ATOM 815 CG2 VAL A 86 -9.376 -10.056 1.438 1.00 0.00 C ATOM 0 H VAL A 86 -10.944 -8.208 2.558 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.839 -9.902 1.149 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.840 -11.005 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.893 -9.101 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.667 -9.010 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.651 -7.977 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.571 -10.181 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.240 -9.116 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.358 -10.883 2.147 1.00 0.00 H new ATOM 825 N LYS A 87 -12.542 -12.070 2.372 1.00 0.00 N ATOM 826 CA LYS A 87 -12.436 -13.290 3.138 1.00 0.00 C ATOM 827 C LYS A 87 -12.006 -14.406 2.210 1.00 0.00 C ATOM 828 O LYS A 87 -12.795 -15.273 1.838 1.00 0.00 O ATOM 829 CB LYS A 87 -13.766 -13.639 3.808 1.00 0.00 C ATOM 830 CG LYS A 87 -14.403 -12.467 4.526 1.00 0.00 C ATOM 831 CD LYS A 87 -13.549 -11.954 5.675 1.00 0.00 C ATOM 832 CE LYS A 87 -14.021 -10.574 6.100 1.00 0.00 C ATOM 833 NZ LYS A 87 -15.329 -10.634 6.808 1.00 0.00 N ATOM 0 H LYS A 87 -13.183 -12.119 1.580 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.698 -13.155 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.458 -14.013 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.604 -14.448 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.573 -11.659 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.379 -12.766 4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.608 -12.643 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.503 -11.912 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.275 -10.119 6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.111 -9.934 5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.619 -9.674 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.046 -11.046 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.236 -11.225 7.659 1.00 0.00 H new ATOM 847 N THR A 88 -10.747 -14.364 1.826 1.00 0.00 N ATOM 848 CA THR A 88 -10.175 -15.412 1.020 1.00 0.00 C ATOM 849 C THR A 88 -9.295 -16.285 1.915 1.00 0.00 C ATOM 850 O THR A 88 -9.828 -17.018 2.749 1.00 0.00 O ATOM 851 CB THR A 88 -9.419 -14.840 -0.213 1.00 0.00 C ATOM 852 OG1 THR A 88 -8.676 -15.865 -0.880 1.00 0.00 O ATOM 853 CG2 THR A 88 -8.492 -13.690 0.168 1.00 0.00 C ATOM 0 H THR A 88 -10.102 -13.610 2.062 1.00 0.00 H new ATOM 0 HA THR A 88 -10.965 -16.035 0.601 1.00 0.00 H new ATOM 0 HB THR A 88 -10.176 -14.450 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.616 -15.657 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.985 -13.321 -0.723 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.076 -12.884 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.752 -14.042 0.887 1.00 0.00 H new ATOM 861 N ASP A 89 -7.976 -16.193 1.785 1.00 0.00 N ATOM 862 CA ASP A 89 -7.078 -16.846 2.731 1.00 0.00 C ATOM 863 C ASP A 89 -5.623 -16.555 2.413 1.00 0.00 C ATOM 864 O ASP A 89 -5.236 -16.412 1.252 1.00 0.00 O ATOM 865 CB ASP A 89 -7.287 -18.367 2.763 1.00 0.00 C ATOM 866 CG ASP A 89 -6.793 -19.063 1.509 1.00 0.00 C ATOM 867 OD1 ASP A 89 -7.560 -19.157 0.529 1.00 0.00 O ATOM 868 OD2 ASP A 89 -5.634 -19.529 1.500 1.00 0.00 O ATOM 0 H ASP A 89 -7.508 -15.677 1.040 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.320 -16.435 3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.769 -18.781 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.348 -18.579 2.895 1.00 0.00 H new ATOM 873 N GLY A 90 -4.842 -16.413 3.466 1.00 0.00 N ATOM 874 CA GLY A 90 -3.404 -16.482 3.340 1.00 0.00 C ATOM 875 C GLY A 90 -2.749 -15.135 3.194 1.00 0.00 C ATOM 876 O GLY A 90 -3.100 -14.180 3.887 1.00 0.00 O ATOM 0 H GLY A 90 -5.180 -16.250 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.994 -16.983 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.152 -17.095 2.475 1.00 0.00 H new ATOM 880 N THR A 91 -1.777 -15.076 2.304 1.00 0.00 N ATOM 881 CA THR A 91 -1.040 -13.861 2.041 1.00 0.00 C ATOM 882 C THR A 91 -1.393 -13.313 0.662 1.00 0.00 C ATOM 883 O THR A 91 -1.135 -13.959 -0.357 1.00 0.00 O ATOM 884 CB THR A 91 0.473 -14.133 2.127 1.00 0.00 C ATOM 885 OG1 THR A 91 0.818 -14.572 3.449 1.00 0.00 O ATOM 886 CG2 THR A 91 1.287 -12.899 1.762 1.00 0.00 C ATOM 0 H THR A 91 -1.478 -15.873 1.743 1.00 0.00 H new ATOM 0 HA THR A 91 -1.312 -13.119 2.792 1.00 0.00 H new ATOM 0 HB THR A 91 0.712 -14.916 1.408 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.782 -14.745 3.495 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.350 -13.130 1.834 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.050 -12.595 0.742 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.045 -12.087 2.448 1.00 0.00 H new ATOM 894 N VAL A 92 -1.993 -12.134 0.626 1.00 0.00 N ATOM 895 CA VAL A 92 -2.323 -11.497 -0.637 1.00 0.00 C ATOM 896 C VAL A 92 -1.227 -10.523 -1.026 1.00 0.00 C ATOM 897 O VAL A 92 -0.424 -10.109 -0.185 1.00 0.00 O ATOM 898 CB VAL A 92 -3.674 -10.756 -0.599 1.00 0.00 C ATOM 899 CG1 VAL A 92 -4.791 -11.699 -0.190 1.00 0.00 C ATOM 900 CG2 VAL A 92 -3.621 -9.539 0.306 1.00 0.00 C ATOM 0 H VAL A 92 -2.260 -11.601 1.454 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.408 -12.292 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.884 -10.397 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.736 -11.156 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.858 -12.517 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.582 -12.102 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.592 -9.043 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.372 -9.851 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.861 -8.848 -0.058 1.00 0.00 H new ATOM 910 N GLN A 93 -1.195 -10.159 -2.289 1.00 0.00 N ATOM 911 CA GLN A 93 -0.222 -9.210 -2.778 1.00 0.00 C ATOM 912 C GLN A 93 -0.915 -7.868 -2.970 1.00 0.00 C ATOM 913 O GLN A 93 -1.858 -7.741 -3.751 1.00 0.00 O ATOM 914 CB GLN A 93 0.407 -9.720 -4.080 1.00 0.00 C ATOM 915 CG GLN A 93 1.801 -9.181 -4.376 1.00 0.00 C ATOM 916 CD GLN A 93 1.807 -7.750 -4.880 1.00 0.00 C ATOM 917 OE1 GLN A 93 1.686 -7.502 -6.077 1.00 0.00 O ATOM 918 NE2 GLN A 93 1.992 -6.802 -3.977 1.00 0.00 N ATOM 0 H GLN A 93 -1.837 -10.509 -3.000 1.00 0.00 H new ATOM 0 HA GLN A 93 0.589 -9.088 -2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.455 -10.808 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.250 -9.460 -4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.404 -9.240 -3.470 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.278 -9.820 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.088 -7.048 -2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.039 -5.825 -4.266 1.00 0.00 H new ATOM 927 N LEU A 94 -0.438 -6.892 -2.229 1.00 0.00 N ATOM 928 CA LEU A 94 -1.054 -5.580 -2.162 1.00 0.00 C ATOM 929 C LEU A 94 -0.319 -4.594 -3.048 1.00 0.00 C ATOM 930 O LEU A 94 0.855 -4.296 -2.812 1.00 0.00 O ATOM 931 CB LEU A 94 -1.046 -5.030 -0.728 1.00 0.00 C ATOM 932 CG LEU A 94 -1.816 -5.832 0.329 1.00 0.00 C ATOM 933 CD1 LEU A 94 -3.111 -6.386 -0.232 1.00 0.00 C ATOM 934 CD2 LEU A 94 -0.958 -6.940 0.921 1.00 0.00 C ATOM 0 H LEU A 94 0.396 -6.985 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.083 -5.697 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.009 -4.948 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.454 -4.019 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.071 -5.145 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.632 -6.949 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.742 -5.564 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.891 -7.044 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.535 -7.488 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.647 -7.622 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.077 -6.505 1.392 1.00 0.00 H new ATOM 946 N SER A 95 -0.991 -4.092 -4.067 1.00 0.00 N ATOM 947 CA SER A 95 -0.469 -2.944 -4.784 1.00 0.00 C ATOM 948 C SER A 95 -0.871 -1.687 -4.026 1.00 0.00 C ATOM 949 O SER A 95 -1.779 -0.958 -4.418 1.00 0.00 O ATOM 950 CB SER A 95 -0.989 -2.912 -6.222 1.00 0.00 C ATOM 951 OG SER A 95 -0.510 -4.027 -6.955 1.00 0.00 O ATOM 0 H SER A 95 -1.881 -4.452 -4.412 1.00 0.00 H new ATOM 0 HA SER A 95 0.618 -3.007 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.079 -2.914 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.673 -1.989 -6.707 1.00 0.00 H new ATOM 0 HG SER A 95 -0.855 -3.989 -7.871 1.00 0.00 H new ATOM 957 N VAL A 96 -0.191 -1.480 -2.915 1.00 0.00 N ATOM 958 CA VAL A 96 -0.484 -0.377 -2.017 1.00 0.00 C ATOM 959 C VAL A 96 0.327 0.877 -2.370 1.00 0.00 C ATOM 960 O VAL A 96 1.545 0.826 -2.554 1.00 0.00 O ATOM 961 CB VAL A 96 -0.276 -0.812 -0.546 1.00 0.00 C ATOM 962 CG1 VAL A 96 1.032 -1.569 -0.387 1.00 0.00 C ATOM 963 CG2 VAL A 96 -0.338 0.372 0.401 1.00 0.00 C ATOM 0 H VAL A 96 0.581 -2.072 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.533 -0.106 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.093 -1.483 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.157 -1.865 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.017 -2.458 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.862 -0.928 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.188 0.028 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.442 1.087 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.313 0.853 0.319 1.00 0.00 H new ATOM 973 N GLN A 97 -0.391 1.987 -2.497 1.00 0.00 N ATOM 974 CA GLN A 97 0.174 3.274 -2.888 1.00 0.00 C ATOM 975 C GLN A 97 0.261 4.218 -1.703 1.00 0.00 C ATOM 976 O GLN A 97 -0.547 4.142 -0.786 1.00 0.00 O ATOM 977 CB GLN A 97 -0.708 3.929 -3.949 1.00 0.00 C ATOM 978 CG GLN A 97 -0.654 3.254 -5.304 1.00 0.00 C ATOM 979 CD GLN A 97 -1.296 4.079 -6.404 1.00 0.00 C ATOM 980 OE1 GLN A 97 -2.315 4.850 -6.055 1.00 0.00 O flip ATOM 981 NE2 GLN A 97 -0.884 4.018 -7.562 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.397 2.019 -2.329 1.00 0.00 H new ATOM 0 HA GLN A 97 1.174 3.088 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.740 3.931 -3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.408 4.971 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.386 3.058 -5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.155 2.288 -5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.096 3.412 -7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.330 4.573 -8.292 1.00 0.00 H new ATOM 990 N VAL A 98 1.242 5.105 -1.723 1.00 0.00 N ATOM 991 CA VAL A 98 1.311 6.158 -0.750 1.00 0.00 C ATOM 992 C VAL A 98 0.634 7.411 -1.316 1.00 0.00 C ATOM 993 O VAL A 98 1.003 7.927 -2.378 1.00 0.00 O ATOM 994 CB VAL A 98 2.772 6.431 -0.320 1.00 0.00 C ATOM 995 CG1 VAL A 98 3.516 5.123 -0.090 1.00 0.00 C ATOM 996 CG2 VAL A 98 3.527 7.293 -1.312 1.00 0.00 C ATOM 0 H VAL A 98 1.998 5.108 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 98 0.779 5.853 0.151 1.00 0.00 H new ATOM 0 HB VAL A 98 2.721 6.990 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.542 5.336 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.018 4.554 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.522 4.541 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.545 7.450 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.554 6.794 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.026 8.255 -1.413 1.00 0.00 H new ATOM 1006 N ILE A 99 -0.415 7.840 -0.646 1.00 0.00 N ATOM 1007 CA ILE A 99 -1.226 8.947 -1.115 1.00 0.00 C ATOM 1008 C ILE A 99 -1.103 10.177 -0.233 1.00 0.00 C ATOM 1009 O ILE A 99 -1.471 10.152 0.941 1.00 0.00 O ATOM 1010 CB ILE A 99 -2.724 8.569 -1.157 1.00 0.00 C ATOM 1011 CG1 ILE A 99 -3.009 7.549 -2.254 1.00 0.00 C ATOM 1012 CG2 ILE A 99 -3.595 9.808 -1.340 1.00 0.00 C ATOM 1013 CD1 ILE A 99 -4.473 7.175 -2.344 1.00 0.00 C ATOM 0 H ILE A 99 -0.730 7.434 0.235 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.851 9.172 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.973 8.112 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.683 7.953 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.420 6.650 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.644 9.514 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.431 10.494 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.333 10.302 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.614 6.446 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.797 6.743 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.064 8.066 -2.558 1.00 0.00 H new ATOM 1025 N SER A 100 -0.575 11.239 -0.798 1.00 0.00 N ATOM 1026 CA SER A 100 -0.783 12.566 -0.268 1.00 0.00 C ATOM 1027 C SER A 100 -1.061 13.502 -1.448 1.00 0.00 C ATOM 1028 O SER A 100 -0.143 14.033 -2.073 1.00 0.00 O ATOM 1029 CB SER A 100 0.438 12.997 0.562 1.00 0.00 C ATOM 1030 OG SER A 100 0.374 14.365 0.935 1.00 0.00 O ATOM 0 H SER A 100 0.008 11.207 -1.634 1.00 0.00 H new ATOM 0 HA SER A 100 -1.638 12.597 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.503 12.380 1.458 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.347 12.821 -0.013 1.00 0.00 H new ATOM 0 HG SER A 100 1.167 14.598 1.462 1.00 0.00 H new ATOM 1036 N TYR A 101 -2.348 13.669 -1.763 1.00 0.00 N ATOM 1037 CA TYR A 101 -2.761 14.390 -2.966 1.00 0.00 C ATOM 1038 C TYR A 101 -2.939 15.888 -2.716 1.00 0.00 C ATOM 1039 O TYR A 101 -1.967 16.643 -2.643 1.00 0.00 O ATOM 1040 CB TYR A 101 -4.073 13.813 -3.526 1.00 0.00 C ATOM 1041 CG TYR A 101 -3.953 12.439 -4.158 1.00 0.00 C ATOM 1042 CD1 TYR A 101 -2.890 12.129 -4.998 1.00 0.00 C ATOM 1043 CD2 TYR A 101 -4.924 11.464 -3.944 1.00 0.00 C ATOM 1044 CE1 TYR A 101 -2.793 10.885 -5.598 1.00 0.00 C ATOM 1045 CE2 TYR A 101 -4.830 10.221 -4.536 1.00 0.00 C ATOM 1046 CZ TYR A 101 -3.768 9.938 -5.364 1.00 0.00 C ATOM 1047 OH TYR A 101 -3.681 8.700 -5.958 1.00 0.00 O ATOM 0 H TYR A 101 -3.121 13.314 -1.200 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.959 14.260 -3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.803 13.762 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.468 14.505 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.127 12.870 -5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.765 11.684 -3.304 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.959 10.658 -6.245 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -5.587 9.473 -4.350 1.00 0.00 H new ATOM 0 HH TYR A 101 -4.447 8.153 -5.687 1.00 0.00 H new ATOM 1057 N GLN A 102 -4.193 16.302 -2.578 1.00 0.00 N ATOM 1058 CA GLN A 102 -4.548 17.712 -2.456 1.00 0.00 C ATOM 1059 C GLN A 102 -4.723 18.108 -0.992 1.00 0.00 C ATOM 1060 O GLN A 102 -5.846 18.301 -0.520 1.00 0.00 O ATOM 1061 CB GLN A 102 -5.842 17.983 -3.234 1.00 0.00 C ATOM 1062 CG GLN A 102 -6.984 17.040 -2.872 1.00 0.00 C ATOM 1063 CD GLN A 102 -8.272 17.357 -3.603 1.00 0.00 C ATOM 1064 OE1 GLN A 102 -8.260 17.841 -4.733 1.00 0.00 O ATOM 1065 NE2 GLN A 102 -9.398 17.103 -2.955 1.00 0.00 N ATOM 0 H GLN A 102 -4.993 15.670 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.739 18.312 -2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.158 19.010 -3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.638 17.899 -4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.687 16.016 -3.099 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -7.161 17.090 -1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -9.368 16.701 -2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -10.296 17.309 -3.393 1.00 0.00 H new ATOM 1074 N GLY A 103 -3.616 18.237 -0.278 1.00 0.00 N ATOM 1075 CA GLY A 103 -3.689 18.491 1.146 1.00 0.00 C ATOM 1076 C GLY A 103 -4.440 17.384 1.845 1.00 0.00 C ATOM 1077 O GLY A 103 -5.343 17.632 2.643 1.00 0.00 O ATOM 0 H GLY A 103 -2.671 18.171 -0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.683 18.572 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -4.185 19.445 1.326 1.00 0.00 H new ATOM 1081 N MET A 104 -4.069 16.158 1.523 1.00 0.00 N ATOM 1082 CA MET A 104 -4.785 14.992 1.995 1.00 0.00 C ATOM 1083 C MET A 104 -4.020 14.309 3.108 1.00 0.00 C ATOM 1084 O MET A 104 -2.836 14.573 3.318 1.00 0.00 O ATOM 1085 CB MET A 104 -5.006 13.996 0.855 1.00 0.00 C ATOM 1086 CG MET A 104 -6.103 14.402 -0.113 1.00 0.00 C ATOM 1087 SD MET A 104 -7.701 14.599 0.697 1.00 0.00 S ATOM 1088 CE MET A 104 -7.885 12.999 1.485 1.00 0.00 C ATOM 0 H MET A 104 -3.267 15.946 0.930 1.00 0.00 H new ATOM 0 HA MET A 104 -5.751 15.327 2.374 1.00 0.00 H new ATOM 0 HB2 MET A 104 -4.074 13.878 0.303 1.00 0.00 H new ATOM 0 HB3 MET A 104 -5.251 13.022 1.279 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.827 15.339 -0.598 1.00 0.00 H new ATOM 0 HG3 MET A 104 -6.187 13.650 -0.898 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.944 12.756 1.572 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.386 12.238 0.884 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.437 13.029 2.478 1.00 0.00 H new ATOM 1098 N GLU A 105 -4.710 13.440 3.823 1.00 0.00 N ATOM 1099 CA GLU A 105 -4.081 12.617 4.835 1.00 0.00 C ATOM 1100 C GLU A 105 -3.243 11.550 4.153 1.00 0.00 C ATOM 1101 O GLU A 105 -3.774 10.768 3.363 1.00 0.00 O ATOM 1102 CB GLU A 105 -5.135 11.945 5.727 1.00 0.00 C ATOM 1103 CG GLU A 105 -5.908 12.899 6.627 1.00 0.00 C ATOM 1104 CD GLU A 105 -6.693 13.946 5.863 1.00 0.00 C ATOM 1105 OE1 GLU A 105 -7.522 13.571 5.008 1.00 0.00 O ATOM 1106 OE2 GLU A 105 -6.466 15.150 6.104 1.00 0.00 O ATOM 0 H GLU A 105 -5.713 13.287 3.719 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.452 13.249 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.843 11.413 5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.642 11.199 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.594 12.324 7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.210 13.398 7.299 1.00 0.00 H new ATOM 1113 N PRO A 106 -1.923 11.543 4.400 1.00 0.00 N ATOM 1114 CA PRO A 106 -1.033 10.500 3.903 1.00 0.00 C ATOM 1115 C PRO A 106 -1.608 9.110 4.175 1.00 0.00 C ATOM 1116 O PRO A 106 -1.719 8.679 5.325 1.00 0.00 O ATOM 1117 CB PRO A 106 0.274 10.718 4.683 1.00 0.00 C ATOM 1118 CG PRO A 106 -0.023 11.780 5.694 1.00 0.00 C ATOM 1119 CD PRO A 106 -1.190 12.556 5.159 1.00 0.00 C ATOM 0 HA PRO A 106 -0.890 10.555 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.598 9.797 5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.079 11.027 4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.260 11.339 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.840 12.429 5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.796 12.981 5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.871 13.385 4.527 1.00 0.00 H new ATOM 1127 N LYS A 107 -2.013 8.444 3.112 1.00 0.00 N ATOM 1128 CA LYS A 107 -2.615 7.121 3.200 1.00 0.00 C ATOM 1129 C LYS A 107 -1.835 6.128 2.374 1.00 0.00 C ATOM 1130 O LYS A 107 -1.368 6.463 1.297 1.00 0.00 O ATOM 1131 CB LYS A 107 -4.038 7.141 2.657 1.00 0.00 C ATOM 1132 CG LYS A 107 -5.060 7.822 3.542 1.00 0.00 C ATOM 1133 CD LYS A 107 -6.394 7.902 2.821 1.00 0.00 C ATOM 1134 CE LYS A 107 -6.320 8.802 1.598 1.00 0.00 C ATOM 1135 NZ LYS A 107 -7.657 9.007 0.981 1.00 0.00 N ATOM 0 H LYS A 107 -1.936 8.802 2.160 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.611 6.834 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.032 7.639 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.358 6.113 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.173 7.269 4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.718 8.823 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.704 6.902 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.155 8.279 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.899 9.767 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.645 8.363 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.697 8.512 0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.392 8.629 1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.818 10.024 0.832 1.00 0.00 H new ATOM 1149 N LEU A 108 -1.697 4.912 2.858 1.00 0.00 N ATOM 1150 CA LEU A 108 -1.175 3.850 2.018 1.00 0.00 C ATOM 1151 C LEU A 108 -2.330 2.961 1.587 1.00 0.00 C ATOM 1152 O LEU A 108 -2.760 2.098 2.346 1.00 0.00 O ATOM 1153 CB LEU A 108 -0.116 3.004 2.753 1.00 0.00 C ATOM 1154 CG LEU A 108 1.190 3.711 3.160 1.00 0.00 C ATOM 1155 CD1 LEU A 108 1.320 5.073 2.506 1.00 0.00 C ATOM 1156 CD2 LEU A 108 1.285 3.822 4.671 1.00 0.00 C ATOM 0 H LEU A 108 -1.933 4.635 3.811 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.690 4.301 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.575 2.597 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.142 2.158 2.116 1.00 0.00 H new ATOM 0 HG LEU A 108 2.021 3.103 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.254 5.539 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.317 4.958 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.482 5.702 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.214 4.324 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.439 4.397 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.270 2.825 5.111 1.00 0.00 H new ATOM 1168 N ASN A 109 -2.815 3.140 0.364 1.00 0.00 N ATOM 1169 CA ASN A 109 -3.970 2.374 -0.098 1.00 0.00 C ATOM 1170 C ASN A 109 -3.577 1.207 -0.963 1.00 0.00 C ATOM 1171 O ASN A 109 -2.875 1.350 -1.950 1.00 0.00 O ATOM 1172 CB ASN A 109 -4.988 3.211 -0.876 1.00 0.00 C ATOM 1173 CG ASN A 109 -4.404 3.964 -2.053 1.00 0.00 C ATOM 1174 OD1 ASN A 109 -3.232 4.324 -2.065 1.00 0.00 O ATOM 1175 ND2 ASN A 109 -5.234 4.212 -3.057 1.00 0.00 N ATOM 0 H ASN A 109 -2.435 3.797 -0.317 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.434 2.019 0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.781 2.555 -1.236 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.450 3.926 -0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.904 4.719 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.202 3.895 -3.008 1.00 0.00 H new ATOM 1182 N ILE A 110 -4.058 0.052 -0.585 1.00 0.00 N ATOM 1183 CA ILE A 110 -3.966 -1.121 -1.413 1.00 0.00 C ATOM 1184 C ILE A 110 -4.929 -0.993 -2.576 1.00 0.00 C ATOM 1185 O ILE A 110 -6.137 -0.922 -2.376 1.00 0.00 O ATOM 1186 CB ILE A 110 -4.327 -2.368 -0.610 1.00 0.00 C ATOM 1187 CG1 ILE A 110 -3.367 -2.521 0.567 1.00 0.00 C ATOM 1188 CG2 ILE A 110 -4.309 -3.589 -1.512 1.00 0.00 C ATOM 1189 CD1 ILE A 110 -3.885 -3.422 1.658 1.00 0.00 C ATOM 0 H ILE A 110 -4.526 -0.102 0.308 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.943 -1.212 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.335 -2.267 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.419 -2.915 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.162 -1.537 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.568 -4.474 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.033 -3.458 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.313 -3.712 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.149 -3.482 2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.818 -3.018 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -4.063 -4.418 1.253 1.00 0.00 H new ATOM 1201 N LEU A 111 -4.412 -0.959 -3.784 1.00 0.00 N ATOM 1202 CA LEU A 111 -5.271 -0.829 -4.941 1.00 0.00 C ATOM 1203 C LEU A 111 -5.688 -2.194 -5.458 1.00 0.00 C ATOM 1204 O LEU A 111 -6.576 -2.289 -6.304 1.00 0.00 O ATOM 1205 CB LEU A 111 -4.602 -0.034 -6.069 1.00 0.00 C ATOM 1206 CG LEU A 111 -4.623 1.487 -5.905 1.00 0.00 C ATOM 1207 CD1 LEU A 111 -6.024 1.974 -5.577 1.00 0.00 C ATOM 1208 CD2 LEU A 111 -3.648 1.921 -4.834 1.00 0.00 C ATOM 0 H LEU A 111 -3.415 -1.019 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 111 -6.154 -0.278 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.565 -0.359 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.092 -0.287 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.318 1.934 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.015 3.058 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.703 1.698 -6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.360 1.516 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.678 3.006 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.921 1.460 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.641 1.610 -5.111 1.00 0.00 H new ATOM 1220 N GLU A 112 -5.079 -3.259 -4.939 1.00 0.00 N ATOM 1221 CA GLU A 112 -5.353 -4.580 -5.457 1.00 0.00 C ATOM 1222 C GLU A 112 -4.982 -5.630 -4.438 1.00 0.00 C ATOM 1223 O GLU A 112 -3.895 -5.595 -3.863 1.00 0.00 O ATOM 1224 CB GLU A 112 -4.590 -4.826 -6.760 1.00 0.00 C ATOM 1225 CG GLU A 112 -4.811 -6.219 -7.325 1.00 0.00 C ATOM 1226 CD GLU A 112 -4.045 -6.461 -8.608 1.00 0.00 C ATOM 1227 OE1 GLU A 112 -2.875 -6.886 -8.538 1.00 0.00 O ATOM 1228 OE2 GLU A 112 -4.615 -6.231 -9.697 1.00 0.00 O ATOM 0 H GLU A 112 -4.405 -3.226 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.421 -4.646 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.898 -4.087 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.525 -4.676 -6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.511 -6.959 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.875 -6.367 -7.509 1.00 0.00 H new ATOM 1235 N ILE A 113 -5.899 -6.544 -4.208 1.00 0.00 N ATOM 1236 CA ILE A 113 -5.659 -7.656 -3.323 1.00 0.00 C ATOM 1237 C ILE A 113 -5.725 -8.950 -4.097 1.00 0.00 C ATOM 1238 O ILE A 113 -6.756 -9.279 -4.682 1.00 0.00 O ATOM 1239 CB ILE A 113 -6.680 -7.704 -2.177 1.00 0.00 C ATOM 1240 CG1 ILE A 113 -6.447 -6.548 -1.213 1.00 0.00 C ATOM 1241 CG2 ILE A 113 -6.598 -9.032 -1.446 1.00 0.00 C ATOM 1242 CD1 ILE A 113 -7.260 -6.664 0.046 1.00 0.00 C ATOM 0 H ILE A 113 -6.828 -6.535 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.667 -7.523 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.680 -7.607 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.389 -6.505 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.691 -5.610 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.329 -9.048 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.809 -9.844 -2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.597 -9.159 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -7.052 -5.812 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.320 -6.678 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.998 -7.586 0.564 1.00 0.00 H new ATOM 1254 N VAL A 114 -4.630 -9.681 -4.116 1.00 0.00 N ATOM 1255 CA VAL A 114 -4.608 -10.961 -4.776 1.00 0.00 C ATOM 1256 C VAL A 114 -3.965 -12.008 -3.879 1.00 0.00 C ATOM 1257 O VAL A 114 -2.768 -11.950 -3.616 1.00 0.00 O ATOM 1258 CB VAL A 114 -3.857 -10.890 -6.133 1.00 0.00 C ATOM 1259 CG1 VAL A 114 -4.665 -10.119 -7.164 1.00 0.00 C ATOM 1260 CG2 VAL A 114 -2.485 -10.249 -5.967 1.00 0.00 C ATOM 0 H VAL A 114 -3.748 -9.408 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.641 -11.246 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.724 -11.913 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -4.116 -10.084 -8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.623 -10.615 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.837 -9.104 -6.807 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.981 -10.212 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.601 -9.237 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.890 -10.839 -5.270 1.00 0.00 H new ATOM 1270 N LYS A 115 -4.769 -12.937 -3.364 1.00 0.00 N ATOM 1271 CA LYS A 115 -4.226 -14.014 -2.551 1.00 0.00 C ATOM 1272 C LYS A 115 -3.223 -14.800 -3.380 1.00 0.00 C ATOM 1273 O LYS A 115 -3.567 -15.441 -4.376 1.00 0.00 O ATOM 1274 CB LYS A 115 -5.314 -14.924 -1.958 1.00 0.00 C ATOM 1275 CG LYS A 115 -5.979 -15.864 -2.946 1.00 0.00 C ATOM 1276 CD LYS A 115 -6.223 -17.230 -2.321 1.00 0.00 C ATOM 1277 CE LYS A 115 -4.928 -17.838 -1.795 1.00 0.00 C ATOM 1278 NZ LYS A 115 -5.123 -19.195 -1.217 1.00 0.00 N ATOM 0 H LYS A 115 -5.780 -12.963 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.722 -13.573 -1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.872 -15.517 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.082 -14.297 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.926 -15.438 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.351 -15.972 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.941 -17.136 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.666 -17.897 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.202 -17.894 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.506 -17.181 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.001 -19.154 -0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.081 -19.532 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.423 -19.849 -1.622 1.00 0.00 H new ATOM 1292 N THR A 116 -1.979 -14.698 -2.966 1.00 0.00 N ATOM 1293 CA THR A 116 -0.843 -15.166 -3.742 1.00 0.00 C ATOM 1294 C THR A 116 -0.719 -14.371 -5.049 1.00 0.00 C ATOM 1295 O THR A 116 0.151 -13.507 -5.175 1.00 0.00 O ATOM 1296 CB THR A 116 -0.938 -16.676 -4.030 1.00 0.00 C ATOM 1297 OG1 THR A 116 -1.000 -17.400 -2.792 1.00 0.00 O ATOM 1298 CG2 THR A 116 0.258 -17.136 -4.837 1.00 0.00 C ATOM 0 H THR A 116 -1.721 -14.283 -2.071 1.00 0.00 H new ATOM 0 HA THR A 116 0.056 -15.001 -3.148 1.00 0.00 H new ATOM 0 HB THR A 116 -1.842 -16.869 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.062 -18.360 -2.977 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.176 -18.205 -5.032 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.288 -16.596 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.172 -16.939 -4.277 1.00 0.00 H new ATOM 1306 N ALA A 117 -1.623 -14.651 -5.988 1.00 0.00 N ATOM 1307 CA ALA A 117 -1.674 -13.980 -7.283 1.00 0.00 C ATOM 1308 C ALA A 117 -2.749 -14.622 -8.148 1.00 0.00 C ATOM 1309 O ALA A 117 -3.813 -14.050 -8.377 1.00 0.00 O ATOM 1310 CB ALA A 117 -0.330 -14.048 -7.999 1.00 0.00 C ATOM 0 H ALA A 117 -2.348 -15.358 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.912 -12.930 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.403 -13.539 -8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.432 -13.563 -7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.056 -15.091 -8.161 1.00 0.00 H new ATOM 1316 N GLU A 118 -2.470 -15.843 -8.581 1.00 0.00 N ATOM 1317 CA GLU A 118 -3.330 -16.555 -9.517 1.00 0.00 C ATOM 1318 C GLU A 118 -4.209 -17.588 -8.808 1.00 0.00 C ATOM 1319 O GLU A 118 -3.885 -18.776 -8.761 1.00 0.00 O ATOM 1320 CB GLU A 118 -2.457 -17.226 -10.576 1.00 0.00 C ATOM 1321 CG GLU A 118 -1.239 -17.927 -9.995 1.00 0.00 C ATOM 1322 CD GLU A 118 -0.339 -18.508 -11.056 1.00 0.00 C ATOM 1323 OE1 GLU A 118 0.408 -17.738 -11.687 1.00 0.00 O ATOM 1324 OE2 GLU A 118 -0.368 -19.736 -11.258 1.00 0.00 O ATOM 0 H GLU A 118 -1.643 -16.368 -8.295 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.003 -15.839 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.057 -17.951 -11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.127 -16.475 -11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.671 -17.219 -9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.568 -18.724 -9.327 1.00 0.00 H new ATOM 1331 N THR A 119 -5.328 -17.112 -8.273 1.00 0.00 N ATOM 1332 CA THR A 119 -6.324 -17.959 -7.617 1.00 0.00 C ATOM 1333 C THR A 119 -7.426 -17.097 -7.034 1.00 0.00 C ATOM 1334 O THR A 119 -8.603 -17.454 -7.068 1.00 0.00 O ATOM 1335 CB THR A 119 -5.723 -18.866 -6.519 1.00 0.00 C ATOM 1336 OG1 THR A 119 -6.765 -19.497 -5.768 1.00 0.00 O ATOM 1337 CG2 THR A 119 -4.812 -18.091 -5.579 1.00 0.00 C ATOM 0 H THR A 119 -5.573 -16.122 -8.281 1.00 0.00 H new ATOM 0 HA THR A 119 -6.729 -18.622 -8.381 1.00 0.00 H new ATOM 0 HB THR A 119 -5.123 -19.625 -7.020 1.00 0.00 H new ATOM 0 HG1 THR A 119 -6.370 -20.069 -5.077 1.00 0.00 H new ATOM 0 HG21 THR A 119 -4.411 -18.766 -4.823 1.00 0.00 H new ATOM 0 HG22 THR A 119 -3.991 -17.653 -6.147 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.380 -17.298 -5.093 1.00 0.00 H new ATOM 1345 N VAL A 120 -7.031 -15.957 -6.502 1.00 0.00 N ATOM 1346 CA VAL A 120 -7.984 -14.940 -6.104 1.00 0.00 C ATOM 1347 C VAL A 120 -8.759 -14.473 -7.332 1.00 0.00 C ATOM 1348 O VAL A 120 -8.256 -14.554 -8.458 1.00 0.00 O ATOM 1349 CB VAL A 120 -7.269 -13.742 -5.458 1.00 0.00 C ATOM 1350 CG1 VAL A 120 -6.437 -13.009 -6.497 1.00 0.00 C ATOM 1351 CG2 VAL A 120 -8.258 -12.800 -4.782 1.00 0.00 C ATOM 0 H VAL A 120 -6.055 -15.712 -6.335 1.00 0.00 H new ATOM 0 HA VAL A 120 -8.668 -15.367 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 120 -6.603 -14.120 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -5.935 -12.162 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -5.693 -13.688 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -7.086 -12.650 -7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -7.718 -11.965 -4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -8.964 -12.422 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -8.800 -13.338 -4.004 1.00 0.00 H new ATOM 1361 N GLU A 121 -9.968 -13.993 -7.130 1.00 0.00 N ATOM 1362 CA GLU A 121 -10.800 -13.581 -8.240 1.00 0.00 C ATOM 1363 C GLU A 121 -11.300 -12.161 -8.009 1.00 0.00 C ATOM 1364 O GLU A 121 -12.186 -11.923 -7.187 1.00 0.00 O ATOM 1365 CB GLU A 121 -11.953 -14.570 -8.413 1.00 0.00 C ATOM 1366 CG GLU A 121 -11.473 -15.999 -8.659 1.00 0.00 C ATOM 1367 CD GLU A 121 -12.606 -16.978 -8.873 1.00 0.00 C ATOM 1368 OE1 GLU A 121 -13.065 -17.120 -10.027 1.00 0.00 O ATOM 1369 OE2 GLU A 121 -13.035 -17.622 -7.891 1.00 0.00 O ATOM 0 H GLU A 121 -10.395 -13.879 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.219 -13.582 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.580 -14.550 -7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.577 -14.252 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.821 -16.011 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -10.874 -16.326 -7.809 1.00 0.00 H new ATOM 1376 N TRP A 122 -10.699 -11.221 -8.723 1.00 0.00 N ATOM 1377 CA TRP A 122 -10.954 -9.806 -8.507 1.00 0.00 C ATOM 1378 C TRP A 122 -11.811 -9.250 -9.641 1.00 0.00 C ATOM 1379 O TRP A 122 -11.254 -8.591 -10.545 1.00 0.00 O ATOM 1380 CB TRP A 122 -9.616 -9.058 -8.429 1.00 0.00 C ATOM 1381 CG TRP A 122 -9.675 -7.761 -7.677 1.00 0.00 C ATOM 1382 CD1 TRP A 122 -9.551 -6.504 -8.190 1.00 0.00 C ATOM 1383 CD2 TRP A 122 -9.865 -7.599 -6.268 1.00 0.00 C ATOM 1384 NE1 TRP A 122 -9.650 -5.570 -7.185 1.00 0.00 N ATOM 1385 CE2 TRP A 122 -9.845 -6.220 -5.996 1.00 0.00 C ATOM 1386 CE3 TRP A 122 -10.050 -8.490 -5.214 1.00 0.00 C ATOM 1387 CZ2 TRP A 122 -10.006 -5.716 -4.706 1.00 0.00 C ATOM 1388 CZ3 TRP A 122 -10.208 -7.994 -3.939 1.00 0.00 C ATOM 1389 CH2 TRP A 122 -10.184 -6.616 -3.692 1.00 0.00 C ATOM 1390 OXT TRP A 122 -13.035 -9.502 -9.640 1.00 0.00 O ATOM 0 H TRP A 122 -10.025 -11.416 -9.464 1.00 0.00 H new ATOM 0 HA TRP A 122 -11.495 -9.671 -7.570 1.00 0.00 H new ATOM 0 HB2 TRP A 122 -8.878 -9.706 -7.955 1.00 0.00 H new ATOM 0 HB3 TRP A 122 -9.264 -8.861 -9.442 1.00 0.00 H new ATOM 0 HD1 TRP A 122 -9.397 -6.275 -9.234 1.00 0.00 H new ATOM 0 HE1 TRP A 122 -9.588 -4.559 -7.306 1.00 0.00 H new ATOM 0 HE3 TRP A 122 -10.069 -9.555 -5.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 -9.991 -4.653 -4.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 -10.353 -8.679 -3.117 1.00 0.00 H new ATOM 0 HH2 TRP A 122 -10.308 -6.257 -2.681 1.00 0.00 H new TER 1401 TRP A 122