USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 970 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 39:sc= -1.83! USER MOD Set 1.2: A 120 GLN : amide:sc= -2.78! C(o=-4.6!,f=-4.7!) USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 66 HIS : no HD1:sc= -0.057 X(o=-0.057,f=0) USER MOD Set 3.1: A 51 HIS : no HE2:sc= -0.283 K(o=-1.3,f=-3.1!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= -0.971 K(o=-1.3,f=-0.52) USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 36 THR OG1 : rot -84:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -120:sc= -0.761 (180deg=-2.34!) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00356 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -149:sc= -0.217 (180deg=-2.24) USER MOD Single : A 26 LYS NZ :NH3+ 145:sc= 0.177 (180deg=0) USER MOD Single : A 33 CYS SG : rot 45:sc= -2.72! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.0377 K(o=-0.038,f=-1.7!) USER MOD Single : A 43 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1.8!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1.7!) USER MOD Single : A 58 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.19) USER MOD Single : A 64 ASN : amide:sc= -1.08! C(o=-1.1!,f=-13!) USER MOD Single : A 71 GLN : amide:sc= -15.5! C(o=-16!,f=-10!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -6.27! K(o=-6.3!,f=-4.2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0217 K(o=-0.022,f=-1.7!) USER MOD Single : A 108 HIS : no HD1:sc= -0.776 K(o=-0.78,f=-0.16) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.41) USER MOD Single : A 124 SER OG : rot -65:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.628 -7.510 12.922 1.00 1.00 N ATOM 2 CA GLY A 1 -17.151 -7.703 12.993 1.00 1.00 C ATOM 3 C GLY A 1 -16.451 -6.502 12.362 1.00 1.00 C ATOM 4 O GLY A 1 -15.901 -6.597 11.265 1.00 1.00 O ATOM 0 H1 GLY A 1 -19.024 -7.508 13.883 1.00 1.00 H new ATOM 0 H2 GLY A 1 -18.838 -6.603 12.459 1.00 1.00 H new ATOM 0 H3 GLY A 1 -19.053 -8.285 12.374 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -16.838 -7.816 14.031 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -16.867 -8.618 12.473 1.00 1.00 H new ATOM 10 N PRO A 2 -16.468 -5.379 13.034 1.00 1.00 N ATOM 11 CA PRO A 2 -15.825 -4.124 12.537 1.00 1.00 C ATOM 12 C PRO A 2 -14.316 -4.283 12.352 1.00 1.00 C ATOM 13 O PRO A 2 -13.661 -5.015 13.094 1.00 1.00 O ATOM 14 CB PRO A 2 -16.155 -3.078 13.624 1.00 1.00 C ATOM 15 CG PRO A 2 -17.286 -3.666 14.410 1.00 1.00 C ATOM 16 CD PRO A 2 -17.100 -5.179 14.345 1.00 1.00 C ATOM 0 HA PRO A 2 -16.194 -3.838 11.552 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -15.291 -2.887 14.261 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -16.440 -2.125 13.179 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -17.269 -3.315 15.442 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -18.248 -3.372 13.989 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -16.470 -5.543 15.156 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -18.051 -5.706 14.419 1.00 1.00 H new ATOM 24 N LEU A 3 -13.772 -3.589 11.357 1.00 1.00 N ATOM 25 CA LEU A 3 -12.341 -3.656 11.083 1.00 1.00 C ATOM 26 C LEU A 3 -11.575 -2.745 12.040 1.00 1.00 C ATOM 27 O LEU A 3 -11.995 -1.619 12.311 1.00 1.00 O ATOM 28 CB LEU A 3 -12.067 -3.231 9.636 1.00 1.00 C ATOM 29 CG LEU A 3 -12.445 -4.362 8.664 1.00 1.00 C ATOM 30 CD1 LEU A 3 -11.489 -5.567 8.812 1.00 1.00 C ATOM 31 CD2 LEU A 3 -13.888 -4.801 8.940 1.00 1.00 C ATOM 0 H LEU A 3 -14.296 -2.978 10.731 1.00 1.00 H new ATOM 0 HA LEU A 3 -12.005 -4.683 11.228 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -12.639 -2.333 9.399 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -11.013 -2.978 9.518 1.00 1.00 H new ATOM 0 HG LEU A 3 -12.359 -3.990 7.643 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -11.780 -6.351 8.113 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -10.468 -5.250 8.597 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -11.543 -5.951 9.831 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -14.162 -5.603 8.254 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -13.970 -5.158 9.967 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -14.560 -3.955 8.796 1.00 1.00 H new ATOM 43 N GLY A 4 -10.451 -3.242 12.547 1.00 1.00 N ATOM 44 CA GLY A 4 -9.630 -2.469 13.474 1.00 1.00 C ATOM 45 C GLY A 4 -10.138 -2.624 14.903 1.00 1.00 C ATOM 46 O GLY A 4 -11.249 -3.103 15.128 1.00 1.00 O ATOM 0 H GLY A 4 -10.089 -4.171 12.333 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -8.594 -2.801 13.413 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -9.645 -1.417 13.190 1.00 1.00 H new ATOM 50 N SER A 5 -9.317 -2.218 15.866 1.00 1.00 N ATOM 51 CA SER A 5 -9.693 -2.317 17.273 1.00 1.00 C ATOM 52 C SER A 5 -8.896 -1.326 18.116 1.00 1.00 C ATOM 53 O SER A 5 -7.771 -0.967 17.773 1.00 1.00 O ATOM 54 CB SER A 5 -9.442 -3.736 17.777 1.00 1.00 C ATOM 55 OG SER A 5 -9.743 -3.803 19.163 1.00 1.00 O ATOM 0 H SER A 5 -8.393 -1.820 15.700 1.00 1.00 H new ATOM 0 HA SER A 5 -10.753 -2.079 17.364 1.00 1.00 H new ATOM 0 HB2 SER A 5 -10.059 -4.445 17.225 1.00 1.00 H new ATOM 0 HB3 SER A 5 -8.403 -4.017 17.605 1.00 1.00 H new ATOM 0 HG SER A 5 -9.584 -4.714 19.489 1.00 1.00 H new ATOM 61 N MET A 6 -9.490 -0.894 19.220 1.00 1.00 N ATOM 62 CA MET A 6 -8.836 0.055 20.116 1.00 1.00 C ATOM 63 C MET A 6 -8.202 1.195 19.316 1.00 1.00 C ATOM 64 O MET A 6 -8.804 1.719 18.380 1.00 1.00 O ATOM 65 CB MET A 6 -7.764 -0.671 20.951 1.00 1.00 C ATOM 66 CG MET A 6 -7.518 0.081 22.265 1.00 1.00 C ATOM 67 SD MET A 6 -6.159 -0.703 23.166 1.00 1.00 S ATOM 68 CE MET A 6 -6.180 0.402 24.599 1.00 1.00 C ATOM 0 H MET A 6 -10.422 -1.184 19.518 1.00 1.00 H new ATOM 0 HA MET A 6 -9.583 0.480 20.787 1.00 1.00 H new ATOM 0 HB2 MET A 6 -8.086 -1.691 21.162 1.00 1.00 H new ATOM 0 HB3 MET A 6 -6.836 -0.740 20.384 1.00 1.00 H new ATOM 0 HG2 MET A 6 -7.278 1.124 22.060 1.00 1.00 H new ATOM 0 HG3 MET A 6 -8.422 0.076 22.874 1.00 1.00 H new ATOM 0 HE1 MET A 6 -5.405 0.099 25.303 1.00 1.00 H new ATOM 0 HE2 MET A 6 -5.994 1.425 24.272 1.00 1.00 H new ATOM 0 HE3 MET A 6 -7.154 0.348 25.086 1.00 1.00 H new ATOM 78 N GLU A 7 -6.981 1.569 19.693 1.00 1.00 N ATOM 79 CA GLU A 7 -6.259 2.647 19.017 1.00 1.00 C ATOM 80 C GLU A 7 -5.202 2.063 18.065 1.00 1.00 C ATOM 81 O GLU A 7 -4.171 1.572 18.524 1.00 1.00 O ATOM 82 CB GLU A 7 -5.570 3.521 20.070 1.00 1.00 C ATOM 83 CG GLU A 7 -6.598 4.445 20.730 1.00 1.00 C ATOM 84 CD GLU A 7 -7.632 3.622 21.494 1.00 1.00 C ATOM 85 OE1 GLU A 7 -8.626 3.249 20.894 1.00 1.00 O ATOM 86 OE2 GLU A 7 -7.414 3.382 22.671 1.00 1.00 O ATOM 0 H GLU A 7 -6.469 1.141 20.465 1.00 1.00 H new ATOM 0 HA GLU A 7 -6.963 3.244 18.437 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -5.095 2.893 20.824 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -4.781 4.112 19.605 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -6.096 5.133 21.410 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -7.093 5.051 19.971 1.00 1.00 H new ATOM 93 N PRO A 8 -5.424 2.087 16.766 1.00 1.00 N ATOM 94 CA PRO A 8 -4.449 1.527 15.786 1.00 1.00 C ATOM 95 C PRO A 8 -3.312 2.510 15.480 1.00 1.00 C ATOM 96 O PRO A 8 -3.449 3.715 15.693 1.00 1.00 O ATOM 97 CB PRO A 8 -5.314 1.268 14.547 1.00 1.00 C ATOM 98 CG PRO A 8 -6.382 2.317 14.598 1.00 1.00 C ATOM 99 CD PRO A 8 -6.610 2.640 16.084 1.00 1.00 C ATOM 0 HA PRO A 8 -3.946 0.633 16.156 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -4.727 1.346 13.632 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -5.743 0.266 14.567 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -6.076 3.208 14.050 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -7.301 1.958 14.134 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -6.698 3.714 16.248 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -7.529 2.185 16.453 1.00 1.00 H new ATOM 107 N PRO A 9 -2.199 2.019 14.992 1.00 1.00 N ATOM 108 CA PRO A 9 -1.015 2.873 14.657 1.00 1.00 C ATOM 109 C PRO A 9 -1.326 3.852 13.526 1.00 1.00 C ATOM 110 O PRO A 9 -0.777 4.953 13.472 1.00 1.00 O ATOM 111 CB PRO A 9 0.061 1.857 14.234 1.00 1.00 C ATOM 112 CG PRO A 9 -0.696 0.636 13.821 1.00 1.00 C ATOM 113 CD PRO A 9 -1.945 0.600 14.699 1.00 1.00 C ATOM 0 HA PRO A 9 -0.703 3.497 15.495 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.666 2.242 13.413 1.00 1.00 H new ATOM 0 HB3 PRO A 9 0.742 1.639 15.057 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -0.962 0.680 12.765 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -0.094 -0.262 13.961 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.787 0.140 14.181 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.779 0.025 15.610 1.00 1.00 H new ATOM 121 N LEU A 10 -2.201 3.434 12.623 1.00 1.00 N ATOM 122 CA LEU A 10 -2.575 4.272 11.492 1.00 1.00 C ATOM 123 C LEU A 10 -3.064 5.637 11.991 1.00 1.00 C ATOM 124 O LEU A 10 -3.474 5.748 13.147 1.00 1.00 O ATOM 125 CB LEU A 10 -3.689 3.588 10.691 1.00 1.00 C ATOM 126 CG LEU A 10 -3.229 2.193 10.225 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.453 1.315 9.946 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.397 2.312 8.942 1.00 1.00 C ATOM 0 H LEU A 10 -2.663 2.525 12.650 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.704 4.417 10.852 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.585 3.497 11.305 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.954 4.199 9.828 1.00 1.00 H new ATOM 0 HG LEU A 10 -2.621 1.744 11.010 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -4.126 0.329 9.617 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -5.045 1.216 10.856 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -5.061 1.775 9.167 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -2.078 1.320 8.622 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -3.001 2.769 8.158 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.521 2.931 9.133 1.00 1.00 H new ATOM 140 N PRO A 11 -3.050 6.679 11.176 1.00 1.00 N ATOM 141 CA PRO A 11 -3.527 8.023 11.625 1.00 1.00 C ATOM 142 C PRO A 11 -4.995 7.990 12.043 1.00 1.00 C ATOM 143 O PRO A 11 -5.809 7.287 11.442 1.00 1.00 O ATOM 144 CB PRO A 11 -3.317 8.939 10.403 1.00 1.00 C ATOM 145 CG PRO A 11 -2.356 8.208 9.525 1.00 1.00 C ATOM 146 CD PRO A 11 -2.594 6.717 9.773 1.00 1.00 C ATOM 0 HA PRO A 11 -2.984 8.373 12.503 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -4.258 9.127 9.886 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.918 9.908 10.702 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.520 8.458 8.477 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.328 8.482 9.762 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.344 6.310 9.094 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.684 6.134 9.629 1.00 1.00 H new ATOM 154 N VAL A 12 -5.316 8.750 13.076 1.00 1.00 N ATOM 155 CA VAL A 12 -6.684 8.803 13.581 1.00 1.00 C ATOM 156 C VAL A 12 -7.620 9.481 12.583 1.00 1.00 C ATOM 157 O VAL A 12 -8.724 9.000 12.327 1.00 1.00 O ATOM 158 CB VAL A 12 -6.718 9.551 14.915 1.00 1.00 C ATOM 159 CG1 VAL A 12 -8.167 9.696 15.393 1.00 1.00 C ATOM 160 CG2 VAL A 12 -5.907 8.768 15.952 1.00 1.00 C ATOM 0 H VAL A 12 -4.654 9.338 13.582 1.00 1.00 H new ATOM 0 HA VAL A 12 -7.029 7.779 13.727 1.00 1.00 H new ATOM 0 HB VAL A 12 -6.286 10.544 14.787 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -8.185 10.229 16.343 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.740 10.254 14.653 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -8.608 8.708 15.523 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -5.928 9.297 16.905 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.339 7.775 16.078 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -4.876 8.674 15.612 1.00 1.00 H new ATOM 170 N GLY A 13 -7.176 10.603 12.031 1.00 1.00 N ATOM 171 CA GLY A 13 -7.982 11.346 11.072 1.00 1.00 C ATOM 172 C GLY A 13 -8.208 10.537 9.801 1.00 1.00 C ATOM 173 O GLY A 13 -9.241 10.668 9.144 1.00 1.00 O ATOM 0 H GLY A 13 -6.265 11.017 12.230 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.942 11.601 11.520 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.486 12.285 10.826 1.00 1.00 H new ATOM 177 N ALA A 14 -7.230 9.709 9.455 1.00 1.00 N ATOM 178 CA ALA A 14 -7.330 8.893 8.249 1.00 1.00 C ATOM 179 C ALA A 14 -8.367 7.794 8.415 1.00 1.00 C ATOM 180 O ALA A 14 -8.441 7.142 9.458 1.00 1.00 O ATOM 181 CB ALA A 14 -5.977 8.262 7.924 1.00 1.00 C ATOM 0 H ALA A 14 -6.367 9.584 9.985 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.637 9.545 7.432 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -6.065 7.656 7.022 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -5.239 9.047 7.762 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.660 7.632 8.755 1.00 1.00 H new ATOM 187 N GLN A 15 -9.152 7.580 7.366 1.00 1.00 N ATOM 188 CA GLN A 15 -10.177 6.534 7.379 1.00 1.00 C ATOM 189 C GLN A 15 -9.622 5.294 6.669 1.00 1.00 C ATOM 190 O GLN A 15 -9.461 5.324 5.454 1.00 1.00 O ATOM 191 CB GLN A 15 -11.438 7.016 6.642 1.00 1.00 C ATOM 192 CG GLN A 15 -11.774 8.472 7.034 1.00 1.00 C ATOM 193 CD GLN A 15 -13.277 8.715 6.930 1.00 1.00 C ATOM 194 OE1 GLN A 15 -13.911 9.131 7.900 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.886 8.478 5.801 1.00 1.00 N ATOM 0 H GLN A 15 -9.102 8.112 6.497 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.439 6.297 8.410 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -11.284 6.950 5.565 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -12.278 6.365 6.884 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -11.436 8.669 8.052 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.241 9.164 6.382 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.358 8.133 4.999 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.890 8.637 5.720 1.00 1.00 H new ATOM 204 N PRO A 16 -9.296 4.221 7.368 1.00 1.00 N ATOM 205 CA PRO A 16 -8.708 3.009 6.711 1.00 1.00 C ATOM 206 C PRO A 16 -9.741 2.196 5.931 1.00 1.00 C ATOM 207 O PRO A 16 -10.546 1.467 6.513 1.00 1.00 O ATOM 208 CB PRO A 16 -8.138 2.214 7.895 1.00 1.00 C ATOM 209 CG PRO A 16 -9.026 2.562 9.043 1.00 1.00 C ATOM 210 CD PRO A 16 -9.451 4.020 8.825 1.00 1.00 C ATOM 0 HA PRO A 16 -7.960 3.267 5.961 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.149 1.142 7.695 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -7.103 2.490 8.096 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.894 1.904 9.078 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -8.501 2.447 9.991 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -10.479 4.188 9.144 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -8.824 4.708 9.392 1.00 1.00 H new ATOM 218 N LEU A 17 -9.701 2.327 4.608 1.00 1.00 N ATOM 219 CA LEU A 17 -10.623 1.598 3.744 1.00 1.00 C ATOM 220 C LEU A 17 -10.320 0.110 3.791 1.00 1.00 C ATOM 221 O LEU A 17 -11.223 -0.723 3.852 1.00 1.00 O ATOM 222 CB LEU A 17 -10.473 2.065 2.295 1.00 1.00 C ATOM 223 CG LEU A 17 -10.810 3.553 2.173 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.636 3.991 0.712 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.257 3.814 2.628 1.00 1.00 C ATOM 0 H LEU A 17 -9.043 2.929 4.113 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.636 1.788 4.097 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.453 1.888 1.954 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.131 1.483 1.649 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.138 4.126 2.812 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.875 5.050 0.619 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.605 3.823 0.402 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.305 3.411 0.076 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.481 4.877 2.535 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.943 3.242 2.004 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.372 3.508 3.668 1.00 1.00 H new ATOM 237 N ALA A 18 -9.031 -0.207 3.741 1.00 1.00 N ATOM 238 CA ALA A 18 -8.586 -1.596 3.757 1.00 1.00 C ATOM 239 C ALA A 18 -7.178 -1.687 4.328 1.00 1.00 C ATOM 240 O ALA A 18 -6.394 -0.745 4.213 1.00 1.00 O ATOM 241 CB ALA A 18 -8.595 -2.158 2.333 1.00 1.00 C ATOM 0 H ALA A 18 -8.277 0.478 3.689 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.264 -2.176 4.382 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.262 -3.196 2.349 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.606 -2.108 1.928 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.924 -1.571 1.706 1.00 1.00 H new ATOM 247 N THR A 19 -6.858 -2.824 4.941 1.00 1.00 N ATOM 248 CA THR A 19 -5.531 -3.025 5.523 1.00 1.00 C ATOM 249 C THR A 19 -5.054 -4.449 5.285 1.00 1.00 C ATOM 250 O THR A 19 -5.813 -5.405 5.454 1.00 1.00 O ATOM 251 CB THR A 19 -5.566 -2.720 7.023 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.350 -3.147 7.617 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.743 -3.445 7.677 1.00 1.00 C ATOM 0 H THR A 19 -7.493 -3.615 5.048 1.00 1.00 H new ATOM 0 HA THR A 19 -4.831 -2.343 5.040 1.00 1.00 H new ATOM 0 HB THR A 19 -5.687 -1.647 7.170 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.369 -2.952 8.577 1.00 1.00 H new ATOM 0 HG21 THR A 19 -6.760 -3.222 8.744 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.675 -3.110 7.221 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.634 -4.520 7.532 1.00 1.00 H new ATOM 261 N VAL A 20 -3.793 -4.591 4.873 1.00 1.00 N ATOM 262 CA VAL A 20 -3.228 -5.912 4.596 1.00 1.00 C ATOM 263 C VAL A 20 -1.774 -5.991 5.037 1.00 1.00 C ATOM 264 O VAL A 20 -1.058 -4.991 5.042 1.00 1.00 O ATOM 265 CB VAL A 20 -3.319 -6.199 3.094 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.768 -5.003 2.320 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.511 -7.459 2.739 1.00 1.00 C ATOM 0 H VAL A 20 -3.149 -3.814 4.725 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.798 -6.653 5.156 1.00 1.00 H new ATOM 0 HB VAL A 20 -4.362 -6.366 2.826 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.830 -5.202 1.250 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -3.353 -4.115 2.559 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -1.727 -4.838 2.598 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.586 -7.649 1.668 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -1.466 -7.309 3.009 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -2.908 -8.313 3.288 1.00 1.00 H new ATOM 277 N GLU A 21 -1.335 -7.202 5.378 1.00 1.00 N ATOM 278 CA GLU A 21 0.049 -7.428 5.790 1.00 1.00 C ATOM 279 C GLU A 21 0.788 -8.148 4.669 1.00 1.00 C ATOM 280 O GLU A 21 0.388 -9.230 4.243 1.00 1.00 O ATOM 281 CB GLU A 21 0.098 -8.271 7.066 1.00 1.00 C ATOM 282 CG GLU A 21 1.553 -8.431 7.516 1.00 1.00 C ATOM 283 CD GLU A 21 1.615 -9.206 8.828 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.582 -9.336 9.466 1.00 1.00 O ATOM 285 OE2 GLU A 21 2.694 -9.656 9.178 1.00 1.00 O ATOM 0 H GLU A 21 -1.917 -8.040 5.377 1.00 1.00 H new ATOM 0 HA GLU A 21 0.524 -6.468 5.993 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.487 -7.794 7.853 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.348 -9.249 6.886 1.00 1.00 H new ATOM 0 HG2 GLU A 21 2.123 -8.954 6.749 1.00 1.00 H new ATOM 0 HG3 GLU A 21 2.013 -7.451 7.642 1.00 1.00 H new ATOM 292 N GLY A 22 1.862 -7.532 4.186 1.00 1.00 N ATOM 293 CA GLY A 22 2.655 -8.111 3.101 1.00 1.00 C ATOM 294 C GLY A 22 4.132 -8.109 3.452 1.00 1.00 C ATOM 295 O GLY A 22 4.503 -8.096 4.627 1.00 1.00 O ATOM 0 H GLY A 22 2.205 -6.634 4.526 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.324 -9.131 2.907 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.494 -7.544 2.184 1.00 1.00 H new ATOM 299 N MET A 23 4.977 -8.128 2.426 1.00 1.00 N ATOM 300 CA MET A 23 6.424 -8.134 2.629 1.00 1.00 C ATOM 301 C MET A 23 7.098 -7.176 1.652 1.00 1.00 C ATOM 302 O MET A 23 6.867 -7.237 0.446 1.00 1.00 O ATOM 303 CB MET A 23 6.960 -9.549 2.419 1.00 1.00 C ATOM 304 CG MET A 23 6.146 -10.535 3.265 1.00 1.00 C ATOM 305 SD MET A 23 6.295 -10.104 5.016 1.00 1.00 S ATOM 306 CE MET A 23 5.202 -11.393 5.665 1.00 1.00 C ATOM 0 H MET A 23 4.687 -8.139 1.448 1.00 1.00 H new ATOM 0 HA MET A 23 6.643 -7.808 3.646 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.898 -9.820 1.365 1.00 1.00 H new ATOM 0 HB3 MET A 23 8.012 -9.596 2.699 1.00 1.00 H new ATOM 0 HG2 MET A 23 5.099 -10.511 2.962 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.502 -11.552 3.099 1.00 1.00 H new ATOM 0 HE1 MET A 23 5.147 -11.311 6.751 1.00 1.00 H new ATOM 0 HE2 MET A 23 4.205 -11.272 5.241 1.00 1.00 H new ATOM 0 HE3 MET A 23 5.595 -12.373 5.394 1.00 1.00 H new ATOM 316 N GLU A 24 7.938 -6.293 2.183 1.00 1.00 N ATOM 317 CA GLU A 24 8.653 -5.318 1.360 1.00 1.00 C ATOM 318 C GLU A 24 9.990 -5.889 0.904 1.00 1.00 C ATOM 319 O GLU A 24 10.790 -6.345 1.721 1.00 1.00 O ATOM 320 CB GLU A 24 8.882 -4.035 2.161 1.00 1.00 C ATOM 321 CG GLU A 24 9.602 -2.995 1.302 1.00 1.00 C ATOM 322 CD GLU A 24 9.731 -1.692 2.081 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.481 -1.713 3.275 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.078 -0.693 1.475 1.00 1.00 O ATOM 0 H GLU A 24 8.142 -6.231 3.181 1.00 1.00 H new ATOM 0 HA GLU A 24 8.051 -5.091 0.480 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.927 -3.636 2.503 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.473 -4.254 3.051 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.589 -3.361 1.020 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.049 -2.825 0.378 1.00 1.00 H new ATOM 331 N MET A 25 10.229 -5.867 -0.406 1.00 1.00 N ATOM 332 CA MET A 25 11.475 -6.389 -0.966 1.00 1.00 C ATOM 333 C MET A 25 12.349 -5.249 -1.482 1.00 1.00 C ATOM 334 O MET A 25 11.856 -4.314 -2.113 1.00 1.00 O ATOM 335 CB MET A 25 11.169 -7.339 -2.128 1.00 1.00 C ATOM 336 CG MET A 25 10.438 -8.580 -1.619 1.00 1.00 C ATOM 337 SD MET A 25 10.156 -9.713 -3.006 1.00 1.00 S ATOM 338 CE MET A 25 8.968 -8.696 -3.927 1.00 1.00 C ATOM 0 H MET A 25 9.579 -5.495 -1.098 1.00 1.00 H new ATOM 0 HA MET A 25 12.005 -6.923 -0.177 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.558 -6.829 -2.873 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.096 -7.631 -2.622 1.00 1.00 H new ATOM 0 HG2 MET A 25 11.027 -9.072 -0.845 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.488 -8.297 -1.165 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.274 -9.343 -4.464 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.413 -8.066 -3.232 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.502 -8.067 -4.639 1.00 1.00 H new ATOM 348 N LYS A 26 13.652 -5.344 -1.228 1.00 1.00 N ATOM 349 CA LYS A 26 14.599 -4.328 -1.695 1.00 1.00 C ATOM 350 C LYS A 26 15.832 -5.000 -2.282 1.00 1.00 C ATOM 351 O LYS A 26 16.210 -6.096 -1.871 1.00 1.00 O ATOM 352 CB LYS A 26 15.022 -3.396 -0.555 1.00 1.00 C ATOM 353 CG LYS A 26 13.823 -2.569 -0.094 1.00 1.00 C ATOM 354 CD LYS A 26 14.264 -1.614 1.016 1.00 1.00 C ATOM 355 CE LYS A 26 13.073 -0.772 1.469 1.00 1.00 C ATOM 356 NZ LYS A 26 13.505 0.154 2.551 1.00 1.00 N ATOM 0 H LYS A 26 14.077 -6.109 -0.704 1.00 1.00 H new ATOM 0 HA LYS A 26 14.102 -3.733 -2.461 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.415 -3.979 0.278 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.823 -2.737 -0.889 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.411 -2.006 -0.932 1.00 1.00 H new ATOM 0 HG3 LYS A 26 13.032 -3.225 0.268 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.664 -2.179 1.858 1.00 1.00 H new ATOM 0 HD3 LYS A 26 15.064 -0.967 0.657 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.674 -0.205 0.628 1.00 1.00 H new ATOM 0 HE3 LYS A 26 12.272 -1.418 1.827 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 12.989 1.053 2.466 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.303 -0.275 3.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 14.526 0.332 2.468 1.00 1.00 H new ATOM 370 N GLY A 27 16.445 -4.334 -3.255 1.00 1.00 N ATOM 371 CA GLY A 27 17.635 -4.861 -3.916 1.00 1.00 C ATOM 372 C GLY A 27 18.537 -5.648 -2.962 1.00 1.00 C ATOM 373 O GLY A 27 18.705 -6.857 -3.114 1.00 1.00 O ATOM 0 H GLY A 27 16.137 -3.426 -3.604 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.333 -5.507 -4.740 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.201 -4.036 -4.349 1.00 1.00 H new ATOM 377 N PRO A 28 19.137 -4.984 -2.005 1.00 1.00 N ATOM 378 CA PRO A 28 20.071 -5.635 -1.025 1.00 1.00 C ATOM 379 C PRO A 28 19.404 -6.713 -0.151 1.00 1.00 C ATOM 380 O PRO A 28 20.050 -7.695 0.217 1.00 1.00 O ATOM 381 CB PRO A 28 20.592 -4.451 -0.184 1.00 1.00 C ATOM 382 CG PRO A 28 19.565 -3.376 -0.340 1.00 1.00 C ATOM 383 CD PRO A 28 18.994 -3.540 -1.747 1.00 1.00 C ATOM 0 HA PRO A 28 20.862 -6.187 -1.533 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.710 -4.733 0.862 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.568 -4.117 -0.537 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.782 -3.472 0.412 1.00 1.00 H new ATOM 0 HG3 PRO A 28 20.010 -2.389 -0.212 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.952 -3.224 -1.798 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.544 -2.945 -2.476 1.00 1.00 H new ATOM 391 N LEU A 29 18.124 -6.537 0.171 1.00 1.00 N ATOM 392 CA LEU A 29 17.406 -7.521 0.990 1.00 1.00 C ATOM 393 C LEU A 29 15.924 -7.156 1.085 1.00 1.00 C ATOM 394 O LEU A 29 15.454 -6.269 0.378 1.00 1.00 O ATOM 395 CB LEU A 29 18.017 -7.616 2.407 1.00 1.00 C ATOM 396 CG LEU A 29 18.434 -6.230 2.923 1.00 1.00 C ATOM 397 CD1 LEU A 29 17.219 -5.300 2.981 1.00 1.00 C ATOM 398 CD2 LEU A 29 19.026 -6.378 4.331 1.00 1.00 C ATOM 0 H LEU A 29 17.565 -5.734 -0.117 1.00 1.00 H new ATOM 0 HA LEU A 29 17.503 -8.493 0.507 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.292 -8.059 3.090 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.884 -8.277 2.389 1.00 1.00 H new ATOM 0 HG LEU A 29 19.175 -5.803 2.247 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.527 -4.321 3.348 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.793 -5.196 1.983 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.471 -5.720 3.653 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.325 -5.399 4.705 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.278 -6.808 4.997 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.897 -7.033 4.293 1.00 1.00 H new ATOM 410 N ARG A 30 15.187 -7.845 1.964 1.00 1.00 N ATOM 411 CA ARG A 30 13.759 -7.578 2.150 1.00 1.00 C ATOM 412 C ARG A 30 13.439 -7.416 3.634 1.00 1.00 C ATOM 413 O ARG A 30 14.274 -7.690 4.497 1.00 1.00 O ATOM 414 CB ARG A 30 12.918 -8.710 1.555 1.00 1.00 C ATOM 415 CG ARG A 30 13.140 -10.010 2.334 1.00 1.00 C ATOM 416 CD ARG A 30 12.290 -11.095 1.690 1.00 1.00 C ATOM 417 NE ARG A 30 12.414 -12.360 2.412 1.00 1.00 N ATOM 418 CZ ARG A 30 11.634 -12.642 3.455 1.00 1.00 C ATOM 419 NH1 ARG A 30 10.806 -11.744 3.913 1.00 1.00 N ATOM 420 NH2 ARG A 30 11.708 -13.813 4.029 1.00 1.00 N ATOM 0 H ARG A 30 15.556 -8.589 2.556 1.00 1.00 H new ATOM 0 HA ARG A 30 13.514 -6.651 1.632 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.862 -8.439 1.581 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.184 -8.857 0.508 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.193 -10.290 2.316 1.00 1.00 H new ATOM 0 HG3 ARG A 30 12.863 -9.879 3.380 1.00 1.00 H new ATOM 0 HD2 ARG A 30 11.246 -10.782 1.675 1.00 1.00 H new ATOM 0 HD3 ARG A 30 12.596 -11.233 0.653 1.00 1.00 H new ATOM 0 HE ARG A 30 13.112 -13.041 2.111 1.00 1.00 H new ATOM 0 HH11 ARG A 30 10.755 -10.825 3.473 1.00 1.00 H new ATOM 0 HH12 ARG A 30 10.209 -11.961 4.711 1.00 1.00 H new ATOM 0 HH21 ARG A 30 12.363 -14.512 3.679 1.00 1.00 H new ATOM 0 HH22 ARG A 30 11.111 -14.028 4.827 1.00 1.00 H new ATOM 434 N GLU A 31 12.225 -6.962 3.918 1.00 1.00 N ATOM 435 CA GLU A 31 11.783 -6.749 5.292 1.00 1.00 C ATOM 436 C GLU A 31 10.256 -6.807 5.349 1.00 1.00 C ATOM 437 O GLU A 31 9.592 -6.363 4.414 1.00 1.00 O ATOM 438 CB GLU A 31 12.259 -5.371 5.770 1.00 1.00 C ATOM 439 CG GLU A 31 11.698 -4.287 4.843 1.00 1.00 C ATOM 440 CD GLU A 31 12.440 -2.970 5.060 1.00 1.00 C ATOM 441 OE1 GLU A 31 12.986 -2.790 6.135 1.00 1.00 O ATOM 442 OE2 GLU A 31 12.449 -2.160 4.146 1.00 1.00 O ATOM 0 H GLU A 31 11.525 -6.733 3.212 1.00 1.00 H new ATOM 0 HA GLU A 31 12.201 -7.524 5.935 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.929 -5.195 6.794 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.348 -5.332 5.775 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.796 -4.601 3.804 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.634 -4.149 5.035 1.00 1.00 H new ATOM 449 N PRO A 32 9.671 -7.331 6.400 1.00 1.00 N ATOM 450 CA PRO A 32 8.186 -7.409 6.501 1.00 1.00 C ATOM 451 C PRO A 32 7.556 -6.019 6.490 1.00 1.00 C ATOM 452 O PRO A 32 8.139 -5.058 6.990 1.00 1.00 O ATOM 453 CB PRO A 32 7.933 -8.151 7.827 1.00 1.00 C ATOM 454 CG PRO A 32 9.197 -7.990 8.616 1.00 1.00 C ATOM 455 CD PRO A 32 10.330 -7.896 7.593 1.00 1.00 C ATOM 0 HA PRO A 32 7.735 -7.927 5.655 1.00 1.00 H new ATOM 0 HB2 PRO A 32 7.081 -7.728 8.358 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.709 -9.203 7.653 1.00 1.00 H new ATOM 0 HG2 PRO A 32 9.157 -7.094 9.236 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.347 -8.836 9.287 1.00 1.00 H new ATOM 0 HD2 PRO A 32 11.138 -7.255 7.947 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.766 -8.873 7.386 1.00 1.00 H new ATOM 463 N CYS A 33 6.370 -5.920 5.897 1.00 1.00 N ATOM 464 CA CYS A 33 5.673 -4.640 5.806 1.00 1.00 C ATOM 465 C CYS A 33 4.181 -4.864 5.599 1.00 1.00 C ATOM 466 O CYS A 33 3.748 -5.983 5.342 1.00 1.00 O ATOM 467 CB CYS A 33 6.238 -3.841 4.627 1.00 1.00 C ATOM 468 SG CYS A 33 5.235 -2.365 4.323 1.00 1.00 S ATOM 0 H CYS A 33 5.874 -6.705 5.475 1.00 1.00 H new ATOM 0 HA CYS A 33 5.820 -4.087 6.734 1.00 1.00 H new ATOM 0 HB2 CYS A 33 7.268 -3.551 4.836 1.00 1.00 H new ATOM 0 HB3 CYS A 33 6.258 -4.465 3.733 1.00 1.00 H new ATOM 0 HG CYS A 33 4.977 -1.775 5.453 1.00 1.00 H new ATOM 474 N ALA A 34 3.399 -3.792 5.701 1.00 1.00 N ATOM 475 CA ALA A 34 1.951 -3.873 5.507 1.00 1.00 C ATOM 476 C ALA A 34 1.463 -2.688 4.692 1.00 1.00 C ATOM 477 O ALA A 34 1.921 -1.559 4.881 1.00 1.00 O ATOM 478 CB ALA A 34 1.239 -3.895 6.859 1.00 1.00 C ATOM 0 H ALA A 34 3.743 -2.856 5.917 1.00 1.00 H new ATOM 0 HA ALA A 34 1.724 -4.793 4.968 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.162 -3.955 6.702 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.571 -4.761 7.431 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.475 -2.984 7.409 1.00 1.00 H new ATOM 484 N LEU A 35 0.526 -2.949 3.782 1.00 1.00 N ATOM 485 CA LEU A 35 -0.027 -1.896 2.930 1.00 1.00 C ATOM 486 C LEU A 35 -1.442 -1.565 3.375 1.00 1.00 C ATOM 487 O LEU A 35 -2.310 -2.437 3.396 1.00 1.00 O ATOM 488 CB LEU A 35 -0.040 -2.364 1.472 1.00 1.00 C ATOM 489 CG LEU A 35 1.358 -2.847 1.065 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.321 -3.351 -0.381 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.368 -1.693 1.184 1.00 1.00 C ATOM 0 H LEU A 35 0.135 -3.876 3.616 1.00 1.00 H new ATOM 0 HA LEU A 35 0.593 -1.004 3.015 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.763 -3.170 1.346 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.356 -1.548 0.822 1.00 1.00 H new ATOM 0 HG LEU A 35 1.665 -3.657 1.727 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.314 -3.695 -0.672 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.613 -4.176 -0.461 1.00 1.00 H new ATOM 0 HD13 LEU A 35 1.010 -2.541 -1.041 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.358 -2.044 0.893 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.066 -0.876 0.529 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.397 -1.340 2.215 1.00 1.00 H new ATOM 503 N THR A 36 -1.671 -0.303 3.743 1.00 1.00 N ATOM 504 CA THR A 36 -2.992 0.126 4.203 1.00 1.00 C ATOM 505 C THR A 36 -3.510 1.308 3.400 1.00 1.00 C ATOM 506 O THR A 36 -2.884 2.363 3.344 1.00 1.00 O ATOM 507 CB THR A 36 -2.925 0.505 5.685 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.494 -0.620 6.440 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.308 0.942 6.166 1.00 1.00 C ATOM 0 H THR A 36 -0.966 0.434 3.732 1.00 1.00 H new ATOM 0 HA THR A 36 -3.681 -0.706 4.061 1.00 1.00 H new ATOM 0 HB THR A 36 -2.221 1.326 5.818 1.00 1.00 H new ATOM 0 HG1 THR A 36 -3.264 -1.191 6.644 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.258 1.211 7.221 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.639 1.804 5.587 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.015 0.123 6.034 1.00 1.00 H new ATOM 517 N LEU A 37 -4.683 1.125 2.802 1.00 1.00 N ATOM 518 CA LEU A 37 -5.318 2.178 2.018 1.00 1.00 C ATOM 519 C LEU A 37 -6.295 2.932 2.906 1.00 1.00 C ATOM 520 O LEU A 37 -7.199 2.337 3.492 1.00 1.00 O ATOM 521 CB LEU A 37 -6.055 1.561 0.826 1.00 1.00 C ATOM 522 CG LEU A 37 -6.761 2.649 0.001 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.735 3.659 -0.539 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.521 1.987 -1.164 1.00 1.00 C ATOM 0 H LEU A 37 -5.214 0.255 2.846 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.563 2.868 1.642 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.349 1.021 0.196 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.786 0.835 1.181 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.466 3.184 0.637 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.249 4.424 -1.121 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.212 4.128 0.295 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.015 3.142 -1.174 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.024 2.754 -1.753 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.817 1.447 -1.797 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.260 1.291 -0.767 1.00 1.00 H new ATOM 536 N ALA A 38 -6.102 4.244 3.023 1.00 1.00 N ATOM 537 CA ALA A 38 -6.970 5.060 3.866 1.00 1.00 C ATOM 538 C ALA A 38 -7.333 6.369 3.182 1.00 1.00 C ATOM 539 O ALA A 38 -6.538 6.940 2.441 1.00 1.00 O ATOM 540 CB ALA A 38 -6.264 5.353 5.190 1.00 1.00 C ATOM 0 H ALA A 38 -5.360 4.760 2.550 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.890 4.505 4.048 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.911 5.962 5.820 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -6.041 4.415 5.699 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.336 5.891 4.996 1.00 1.00 H new ATOM 546 N GLN A 39 -8.549 6.839 3.445 1.00 1.00 N ATOM 547 CA GLN A 39 -9.037 8.091 2.867 1.00 1.00 C ATOM 548 C GLN A 39 -8.881 9.223 3.881 1.00 1.00 C ATOM 549 O GLN A 39 -9.351 9.113 5.010 1.00 1.00 O ATOM 550 CB GLN A 39 -10.521 7.937 2.500 1.00 1.00 C ATOM 551 CG GLN A 39 -11.043 9.212 1.833 1.00 1.00 C ATOM 552 CD GLN A 39 -12.545 9.084 1.605 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.997 8.192 0.888 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.354 9.915 2.204 1.00 1.00 N ATOM 0 H GLN A 39 -9.218 6.371 4.057 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.459 8.326 1.973 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.649 7.089 1.827 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.103 7.724 3.396 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.832 10.077 2.461 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.532 9.375 0.884 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.978 10.654 2.798 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.362 9.825 2.078 1.00 1.00 H new ATOM 563 N ARG A 40 -8.225 10.317 3.483 1.00 1.00 N ATOM 564 CA ARG A 40 -8.037 11.454 4.391 1.00 1.00 C ATOM 565 C ARG A 40 -8.219 12.776 3.647 1.00 1.00 C ATOM 566 O ARG A 40 -7.730 12.947 2.531 1.00 1.00 O ATOM 567 CB ARG A 40 -6.645 11.390 5.030 1.00 1.00 C ATOM 568 CG ARG A 40 -6.509 12.494 6.087 1.00 1.00 C ATOM 569 CD ARG A 40 -5.223 12.281 6.893 1.00 1.00 C ATOM 570 NE ARG A 40 -5.040 13.372 7.852 1.00 1.00 N ATOM 571 CZ ARG A 40 -4.027 13.376 8.722 1.00 1.00 C ATOM 572 NH1 ARG A 40 -3.138 12.421 8.701 1.00 1.00 N ATOM 573 NH2 ARG A 40 -3.919 14.345 9.592 1.00 1.00 N ATOM 0 H ARG A 40 -7.821 10.440 2.555 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.790 11.399 5.177 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.489 10.413 5.488 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.878 11.509 4.265 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.490 13.472 5.605 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.373 12.483 6.752 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.269 11.328 7.420 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -4.367 12.232 6.220 1.00 1.00 H new ATOM 0 HE ARG A 40 -5.702 14.148 7.856 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.215 11.667 8.018 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -2.366 12.428 9.367 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -4.608 15.097 9.606 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -3.146 14.349 10.257 1.00 1.00 H new ATOM 587 N ASN A 41 -8.933 13.703 4.287 1.00 1.00 N ATOM 588 CA ASN A 41 -9.199 15.021 3.710 1.00 1.00 C ATOM 589 C ASN A 41 -9.943 14.912 2.379 1.00 1.00 C ATOM 590 O ASN A 41 -9.747 15.735 1.485 1.00 1.00 O ATOM 591 CB ASN A 41 -7.886 15.784 3.505 1.00 1.00 C ATOM 592 CG ASN A 41 -7.282 16.146 4.855 1.00 1.00 C ATOM 593 OD1 ASN A 41 -7.994 16.208 5.857 1.00 1.00 O ATOM 594 ND2 ASN A 41 -6.003 16.387 4.946 1.00 1.00 N ATOM 0 H ASN A 41 -9.340 13.563 5.212 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.833 15.565 4.410 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.185 15.174 2.935 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.067 16.688 2.924 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -5.592 16.627 5.848 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -5.414 16.335 4.115 1.00 1.00 H new ATOM 601 N GLY A 42 -10.810 13.907 2.255 1.00 1.00 N ATOM 602 CA GLY A 42 -11.580 13.731 1.025 1.00 1.00 C ATOM 603 C GLY A 42 -10.679 13.277 -0.115 1.00 1.00 C ATOM 604 O GLY A 42 -10.976 13.503 -1.290 1.00 1.00 O ATOM 0 H GLY A 42 -10.995 13.213 2.979 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.369 12.996 1.186 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.068 14.669 0.758 1.00 1.00 H new ATOM 608 N GLN A 43 -9.572 12.643 0.247 1.00 1.00 N ATOM 609 CA GLN A 43 -8.600 12.156 -0.725 1.00 1.00 C ATOM 610 C GLN A 43 -8.163 10.744 -0.360 1.00 1.00 C ATOM 611 O GLN A 43 -8.298 10.324 0.784 1.00 1.00 O ATOM 612 CB GLN A 43 -7.394 13.103 -0.727 1.00 1.00 C ATOM 613 CG GLN A 43 -6.257 12.512 -1.558 1.00 1.00 C ATOM 614 CD GLN A 43 -5.154 13.550 -1.727 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.384 14.742 -1.521 1.00 1.00 O ATOM 616 NE2 GLN A 43 -3.962 13.168 -2.090 1.00 1.00 N ATOM 0 H GLN A 43 -9.322 12.452 1.217 1.00 1.00 H new ATOM 0 HA GLN A 43 -9.047 12.130 -1.719 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.685 14.072 -1.133 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.056 13.274 0.295 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.861 11.622 -1.069 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.630 12.201 -2.534 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.773 12.180 -2.260 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -3.218 13.857 -2.204 1.00 1.00 H new ATOM 625 N TYR A 44 -7.628 10.014 -1.337 1.00 1.00 N ATOM 626 CA TYR A 44 -7.161 8.646 -1.099 1.00 1.00 C ATOM 627 C TYR A 44 -5.647 8.634 -0.927 1.00 1.00 C ATOM 628 O TYR A 44 -4.922 9.242 -1.715 1.00 1.00 O ATOM 629 CB TYR A 44 -7.544 7.749 -2.281 1.00 1.00 C ATOM 630 CG TYR A 44 -9.046 7.624 -2.360 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.798 8.624 -2.986 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.688 6.503 -1.815 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.191 8.507 -3.068 1.00 1.00 C ATOM 634 CE2 TYR A 44 -11.081 6.387 -1.895 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.832 7.388 -2.524 1.00 1.00 C ATOM 636 OH TYR A 44 -13.205 7.273 -2.604 1.00 1.00 O ATOM 0 H TYR A 44 -7.507 10.342 -2.295 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.631 8.269 -0.191 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.155 8.168 -3.209 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -7.093 6.764 -2.163 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.304 9.487 -3.406 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -9.108 5.729 -1.334 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.771 9.280 -3.551 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.576 5.526 -1.472 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.489 6.437 -2.179 1.00 1.00 H new ATOM 646 N GLU A 45 -5.170 7.938 0.103 1.00 1.00 N ATOM 647 CA GLU A 45 -3.734 7.853 0.363 1.00 1.00 C ATOM 648 C GLU A 45 -3.363 6.452 0.834 1.00 1.00 C ATOM 649 O GLU A 45 -4.120 5.804 1.555 1.00 1.00 O ATOM 650 CB GLU A 45 -3.315 8.894 1.413 1.00 1.00 C ATOM 651 CG GLU A 45 -4.053 8.655 2.732 1.00 1.00 C ATOM 652 CD GLU A 45 -3.572 9.658 3.774 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.619 10.365 3.490 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.165 9.706 4.837 1.00 1.00 O ATOM 0 H GLU A 45 -5.752 7.428 0.767 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.203 8.063 -0.565 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.239 8.840 1.577 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.532 9.897 1.045 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.128 8.757 2.583 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.875 7.638 3.081 1.00 1.00 H new ATOM 661 N LEU A 46 -2.193 5.980 0.402 1.00 1.00 N ATOM 662 CA LEU A 46 -1.719 4.640 0.762 1.00 1.00 C ATOM 663 C LEU A 46 -0.628 4.743 1.826 1.00 1.00 C ATOM 664 O LEU A 46 0.416 5.350 1.598 1.00 1.00 O ATOM 665 CB LEU A 46 -1.159 3.947 -0.492 1.00 1.00 C ATOM 666 CG LEU A 46 -1.075 2.422 -0.280 1.00 1.00 C ATOM 667 CD1 LEU A 46 -0.690 1.733 -1.602 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.036 2.079 0.809 1.00 1.00 C ATOM 0 H LEU A 46 -1.555 6.504 -0.197 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.548 4.057 1.162 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.796 4.165 -1.349 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.169 4.342 -0.721 1.00 1.00 H new ATOM 0 HG LEU A 46 -2.051 2.063 0.047 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -0.632 0.656 -1.447 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.444 1.951 -2.359 1.00 1.00 H new ATOM 0 HD13 LEU A 46 0.278 2.104 -1.937 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.007 0.998 0.943 1.00 1.00 H new ATOM 0 HD22 LEU A 46 0.944 2.447 0.505 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -0.325 2.550 1.749 1.00 1.00 H new ATOM 680 N ILE A 47 -0.875 4.138 2.990 1.00 1.00 N ATOM 681 CA ILE A 47 0.094 4.160 4.085 1.00 1.00 C ATOM 682 C ILE A 47 0.897 2.867 4.093 1.00 1.00 C ATOM 683 O ILE A 47 0.330 1.773 4.080 1.00 1.00 O ATOM 684 CB ILE A 47 -0.624 4.295 5.429 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.480 5.562 5.438 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.416 4.390 6.552 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.410 5.538 6.654 1.00 1.00 C ATOM 0 H ILE A 47 -1.734 3.629 3.197 1.00 1.00 H new ATOM 0 HA ILE A 47 0.757 5.012 3.937 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.262 3.424 5.581 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.842 6.445 5.472 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.065 5.626 4.520 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.092 4.486 7.511 1.00 1.00 H new ATOM 0 HG22 ILE A 47 1.031 3.490 6.556 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.050 5.261 6.388 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -3.021 6.440 6.662 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.057 4.662 6.600 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.815 5.494 7.566 1.00 1.00 H new ATOM 699 N ILE A 48 2.221 2.993 4.127 1.00 1.00 N ATOM 700 CA ILE A 48 3.102 1.824 4.153 1.00 1.00 C ATOM 701 C ILE A 48 3.734 1.702 5.533 1.00 1.00 C ATOM 702 O ILE A 48 4.247 2.681 6.074 1.00 1.00 O ATOM 703 CB ILE A 48 4.196 1.962 3.095 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.549 2.148 1.723 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.050 0.690 3.082 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.630 2.388 0.668 1.00 1.00 C ATOM 0 H ILE A 48 2.708 3.889 4.137 1.00 1.00 H new ATOM 0 HA ILE A 48 2.517 0.930 3.936 1.00 1.00 H new ATOM 0 HB ILE A 48 4.823 2.823 3.326 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.965 1.265 1.464 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.859 2.991 1.748 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.832 0.784 2.328 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.506 0.548 4.062 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.421 -0.168 2.846 1.00 1.00 H new ATOM 0 HD11 ILE A 48 4.163 2.520 -0.308 1.00 1.00 H new ATOM 0 HD12 ILE A 48 5.195 3.284 0.924 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.303 1.531 0.635 1.00 1.00 H new ATOM 718 N GLN A 49 3.683 0.501 6.109 1.00 1.00 N ATOM 719 CA GLN A 49 4.245 0.267 7.443 1.00 1.00 C ATOM 720 C GLN A 49 5.279 -0.842 7.410 1.00 1.00 C ATOM 721 O GLN A 49 4.990 -1.951 6.980 1.00 1.00 O ATOM 722 CB GLN A 49 3.132 -0.121 8.414 1.00 1.00 C ATOM 723 CG GLN A 49 2.232 1.085 8.654 1.00 1.00 C ATOM 724 CD GLN A 49 1.219 0.764 9.741 1.00 1.00 C ATOM 725 OE1 GLN A 49 0.274 0.009 9.512 1.00 1.00 O ATOM 726 NE2 GLN A 49 1.378 1.277 10.929 1.00 1.00 N ATOM 0 H GLN A 49 3.261 -0.322 5.678 1.00 1.00 H new ATOM 0 HA GLN A 49 4.725 1.188 7.773 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.550 -0.948 8.007 1.00 1.00 H new ATOM 0 HB3 GLN A 49 3.559 -0.464 9.356 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.833 1.946 8.947 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.717 1.355 7.732 1.00 1.00 H new ATOM 0 HE21 GLN A 49 2.163 1.902 11.114 1.00 1.00 H new ATOM 0 HE22 GLN A 49 0.718 1.053 11.674 1.00 1.00 H new ATOM 735 N LEU A 50 6.485 -0.540 7.883 1.00 1.00 N ATOM 736 CA LEU A 50 7.559 -1.534 7.919 1.00 1.00 C ATOM 737 C LEU A 50 7.669 -2.103 9.331 1.00 1.00 C ATOM 738 O LEU A 50 8.008 -1.386 10.272 1.00 1.00 O ATOM 739 CB LEU A 50 8.897 -0.886 7.516 1.00 1.00 C ATOM 740 CG LEU A 50 9.006 -0.798 5.991 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.824 -0.006 5.433 1.00 1.00 C ATOM 742 CD2 LEU A 50 10.316 -0.096 5.618 1.00 1.00 C ATOM 0 H LEU A 50 6.744 0.378 8.245 1.00 1.00 H new ATOM 0 HA LEU A 50 7.331 -2.335 7.215 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.972 0.111 7.951 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.727 -1.471 7.914 1.00 1.00 H new ATOM 0 HG LEU A 50 8.995 -1.802 5.568 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.906 0.054 4.348 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.893 -0.506 5.700 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.829 1.000 5.853 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.398 -0.031 4.533 1.00 1.00 H new ATOM 0 HD22 LEU A 50 10.325 0.908 6.043 1.00 1.00 H new ATOM 0 HD23 LEU A 50 11.158 -0.664 6.012 1.00 1.00 H new ATOM 754 N HIS A 51 7.378 -3.391 9.474 1.00 1.00 N ATOM 755 CA HIS A 51 7.444 -4.037 10.778 1.00 1.00 C ATOM 756 C HIS A 51 8.898 -4.221 11.208 1.00 1.00 C ATOM 757 O HIS A 51 9.367 -5.347 11.382 1.00 1.00 O ATOM 758 CB HIS A 51 6.745 -5.396 10.723 1.00 1.00 C ATOM 759 CG HIS A 51 5.293 -5.205 10.378 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.380 -4.676 11.277 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.580 -5.473 9.235 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.181 -4.645 10.667 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.247 -5.120 9.422 1.00 1.00 N ATOM 0 H HIS A 51 7.096 -4.004 8.709 1.00 1.00 H new ATOM 0 HA HIS A 51 6.940 -3.402 11.507 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.225 -6.033 9.980 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.837 -5.902 11.684 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.581 -4.367 12.228 1.00 1.00 H new ATOM 0 HD2 HIS A 51 4.991 -5.894 8.329 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.276 -4.280 11.129 1.00 1.00 H new ATOM 771 N GLU A 52 9.604 -3.106 11.373 1.00 1.00 N ATOM 772 CA GLU A 52 11.005 -3.146 11.777 1.00 1.00 C ATOM 773 C GLU A 52 11.140 -3.779 13.159 1.00 1.00 C ATOM 774 O GLU A 52 10.220 -3.706 13.974 1.00 1.00 O ATOM 775 CB GLU A 52 11.577 -1.726 11.806 1.00 1.00 C ATOM 776 CG GLU A 52 11.518 -1.118 10.403 1.00 1.00 C ATOM 777 CD GLU A 52 12.419 -1.895 9.449 1.00 1.00 C ATOM 778 OE1 GLU A 52 13.315 -2.569 9.930 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.204 -1.801 8.252 1.00 1.00 O ATOM 0 H GLU A 52 9.230 -2.167 11.234 1.00 1.00 H new ATOM 0 HA GLU A 52 11.560 -3.747 11.056 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.011 -1.110 12.504 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.607 -1.746 12.161 1.00 1.00 H new ATOM 0 HG2 GLU A 52 10.492 -1.132 10.037 1.00 1.00 H new ATOM 0 HG3 GLU A 52 11.830 -0.074 10.439 1.00 1.00 H new ATOM 786 N LYS A 53 12.287 -4.401 13.418 1.00 1.00 N ATOM 787 CA LYS A 53 12.513 -5.041 14.709 1.00 1.00 C ATOM 788 C LYS A 53 12.462 -4.003 15.828 1.00 1.00 C ATOM 789 O LYS A 53 11.890 -4.248 16.891 1.00 1.00 O ATOM 790 CB LYS A 53 13.873 -5.751 14.722 1.00 1.00 C ATOM 791 CG LYS A 53 13.851 -6.925 13.736 1.00 1.00 C ATOM 792 CD LYS A 53 15.215 -7.628 13.736 1.00 1.00 C ATOM 793 CE LYS A 53 15.189 -8.803 12.751 1.00 1.00 C ATOM 794 NZ LYS A 53 16.517 -9.483 12.746 1.00 1.00 N ATOM 0 H LYS A 53 13.064 -4.475 12.761 1.00 1.00 H new ATOM 0 HA LYS A 53 11.727 -5.779 14.871 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.663 -5.050 14.451 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.097 -6.111 15.726 1.00 1.00 H new ATOM 0 HG2 LYS A 53 13.068 -7.630 14.013 1.00 1.00 H new ATOM 0 HG3 LYS A 53 13.616 -6.566 12.734 1.00 1.00 H new ATOM 0 HD2 LYS A 53 15.998 -6.923 13.456 1.00 1.00 H new ATOM 0 HD3 LYS A 53 15.451 -7.986 14.738 1.00 1.00 H new ATOM 0 HE2 LYS A 53 14.409 -9.510 13.033 1.00 1.00 H new ATOM 0 HE3 LYS A 53 14.949 -8.446 11.750 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 16.497 -10.279 12.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 17.252 -8.807 12.457 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 16.729 -9.838 13.700 1.00 1.00 H new ATOM 808 N GLU A 54 13.065 -2.840 15.583 1.00 1.00 N ATOM 809 CA GLU A 54 13.079 -1.771 16.582 1.00 1.00 C ATOM 810 C GLU A 54 11.664 -1.268 16.845 1.00 1.00 C ATOM 811 O GLU A 54 11.052 -1.604 17.856 1.00 1.00 O ATOM 812 CB GLU A 54 13.946 -0.602 16.103 1.00 1.00 C ATOM 813 CG GLU A 54 15.388 -1.074 15.949 1.00 1.00 C ATOM 814 CD GLU A 54 16.265 0.072 15.459 1.00 1.00 C ATOM 815 OE1 GLU A 54 15.735 1.151 15.247 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.456 -0.146 15.298 1.00 1.00 O ATOM 0 H GLU A 54 13.545 -2.615 14.712 1.00 1.00 H new ATOM 0 HA GLU A 54 13.496 -2.177 17.504 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.572 -0.223 15.152 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.895 0.220 16.817 1.00 1.00 H new ATOM 0 HG2 GLU A 54 15.761 -1.445 16.903 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.434 -1.904 15.244 1.00 1.00 H new ATOM 823 N GLN A 55 11.155 -0.455 15.920 1.00 1.00 N ATOM 824 CA GLN A 55 9.805 0.103 16.048 1.00 1.00 C ATOM 825 C GLN A 55 9.162 0.293 14.676 1.00 1.00 C ATOM 826 O GLN A 55 9.850 0.533 13.685 1.00 1.00 O ATOM 827 CB GLN A 55 9.860 1.453 16.775 1.00 1.00 C ATOM 828 CG GLN A 55 8.452 2.054 16.874 1.00 1.00 C ATOM 829 CD GLN A 55 8.479 3.300 17.755 1.00 1.00 C ATOM 830 OE1 GLN A 55 9.428 3.507 18.512 1.00 1.00 O ATOM 831 NE2 GLN A 55 7.485 4.145 17.704 1.00 1.00 N ATOM 0 H GLN A 55 11.652 -0.168 15.077 1.00 1.00 H new ATOM 0 HA GLN A 55 9.202 -0.599 16.624 1.00 1.00 H new ATOM 0 HB2 GLN A 55 10.279 1.321 17.773 1.00 1.00 H new ATOM 0 HB3 GLN A 55 10.519 2.137 16.240 1.00 1.00 H new ATOM 0 HG2 GLN A 55 8.085 2.309 15.880 1.00 1.00 H new ATOM 0 HG3 GLN A 55 7.762 1.319 17.289 1.00 1.00 H new ATOM 0 HE21 GLN A 55 6.700 3.972 17.076 1.00 1.00 H new ATOM 0 HE22 GLN A 55 7.494 4.979 18.292 1.00 1.00 H new ATOM 840 N HIS A 56 7.837 0.197 14.634 1.00 1.00 N ATOM 841 CA HIS A 56 7.107 0.370 13.384 1.00 1.00 C ATOM 842 C HIS A 56 7.192 1.823 12.928 1.00 1.00 C ATOM 843 O HIS A 56 7.079 2.742 13.737 1.00 1.00 O ATOM 844 CB HIS A 56 5.639 -0.020 13.574 1.00 1.00 C ATOM 845 CG HIS A 56 5.542 -1.483 13.919 1.00 1.00 C ATOM 846 ND1 HIS A 56 4.355 -2.063 14.342 1.00 1.00 N ATOM 847 CD2 HIS A 56 6.472 -2.492 13.915 1.00 1.00 C ATOM 848 CE1 HIS A 56 4.600 -3.364 14.573 1.00 1.00 C ATOM 849 NE2 HIS A 56 5.874 -3.680 14.327 1.00 1.00 N ATOM 0 H HIS A 56 7.250 0.002 15.445 1.00 1.00 H new ATOM 0 HA HIS A 56 7.554 -0.273 12.626 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.193 0.581 14.367 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.077 0.187 12.663 1.00 1.00 H new ATOM 0 HD2 HIS A 56 7.509 -2.382 13.635 1.00 1.00 H new ATOM 0 HE1 HIS A 56 3.857 -4.069 14.916 1.00 1.00 H new ATOM 0 HE2 HIS A 56 6.314 -4.595 14.421 1.00 1.00 H new ATOM 857 N VAL A 57 7.391 2.025 11.625 1.00 1.00 N ATOM 858 CA VAL A 57 7.490 3.377 11.066 1.00 1.00 C ATOM 859 C VAL A 57 6.292 3.677 10.173 1.00 1.00 C ATOM 860 O VAL A 57 5.937 2.882 9.303 1.00 1.00 O ATOM 861 CB VAL A 57 8.779 3.519 10.252 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.976 3.569 11.200 1.00 1.00 C ATOM 863 CG2 VAL A 57 8.932 2.323 9.310 1.00 1.00 C ATOM 0 H VAL A 57 7.487 1.276 10.939 1.00 1.00 H new ATOM 0 HA VAL A 57 7.503 4.087 11.893 1.00 1.00 H new ATOM 0 HB VAL A 57 8.734 4.437 9.667 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.894 3.670 10.622 1.00 1.00 H new ATOM 0 HG12 VAL A 57 9.874 4.422 11.870 1.00 1.00 H new ATOM 0 HG13 VAL A 57 10.015 2.650 11.785 1.00 1.00 H new ATOM 0 HG21 VAL A 57 9.851 2.429 8.733 1.00 1.00 H new ATOM 0 HG22 VAL A 57 8.974 1.403 9.894 1.00 1.00 H new ATOM 0 HG23 VAL A 57 8.080 2.283 8.631 1.00 1.00 H new ATOM 873 N GLN A 58 5.669 4.826 10.407 1.00 1.00 N ATOM 874 CA GLN A 58 4.499 5.231 9.631 1.00 1.00 C ATOM 875 C GLN A 58 4.914 6.057 8.416 1.00 1.00 C ATOM 876 O GLN A 58 5.316 7.211 8.550 1.00 1.00 O ATOM 877 CB GLN A 58 3.567 6.060 10.518 1.00 1.00 C ATOM 878 CG GLN A 58 2.281 6.401 9.758 1.00 1.00 C ATOM 879 CD GLN A 58 1.373 7.253 10.637 1.00 1.00 C ATOM 880 OE1 GLN A 58 1.734 8.370 11.009 1.00 1.00 O ATOM 881 NE2 GLN A 58 0.211 6.786 10.999 1.00 1.00 N ATOM 0 H GLN A 58 5.952 5.493 11.125 1.00 1.00 H new ATOM 0 HA GLN A 58 3.984 4.336 9.281 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.326 5.505 11.425 1.00 1.00 H new ATOM 0 HB3 GLN A 58 4.068 6.976 10.829 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.521 6.937 8.840 1.00 1.00 H new ATOM 0 HG3 GLN A 58 1.766 5.486 9.467 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -0.086 5.860 10.689 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -0.402 7.346 11.592 1.00 1.00 H new ATOM 890 N ASP A 59 4.794 5.462 7.231 1.00 1.00 N ATOM 891 CA ASP A 59 5.134 6.146 5.984 1.00 1.00 C ATOM 892 C ASP A 59 3.862 6.432 5.197 1.00 1.00 C ATOM 893 O ASP A 59 3.173 5.508 4.760 1.00 1.00 O ATOM 894 CB ASP A 59 6.072 5.273 5.153 1.00 1.00 C ATOM 895 CG ASP A 59 6.457 5.997 3.868 1.00 1.00 C ATOM 896 OD1 ASP A 59 5.904 7.056 3.623 1.00 1.00 O ATOM 897 OD2 ASP A 59 7.299 5.484 3.151 1.00 1.00 O ATOM 0 H ASP A 59 4.463 4.505 7.108 1.00 1.00 H new ATOM 0 HA ASP A 59 5.635 7.086 6.214 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.967 5.036 5.729 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.586 4.327 4.915 1.00 1.00 H new ATOM 902 N ILE A 60 3.544 7.712 5.031 1.00 1.00 N ATOM 903 CA ILE A 60 2.335 8.108 4.304 1.00 1.00 C ATOM 904 C ILE A 60 2.664 8.405 2.843 1.00 1.00 C ATOM 905 O ILE A 60 3.412 9.333 2.541 1.00 1.00 O ATOM 906 CB ILE A 60 1.729 9.351 4.955 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.353 9.029 6.405 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.471 9.765 4.187 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.000 10.319 7.151 1.00 1.00 C ATOM 0 H ILE A 60 4.100 8.490 5.386 1.00 1.00 H new ATOM 0 HA ILE A 60 1.618 7.288 4.343 1.00 1.00 H new ATOM 0 HB ILE A 60 2.454 10.165 4.935 1.00 1.00 H new ATOM 0 HG12 ILE A 60 0.506 8.343 6.426 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.183 8.527 6.902 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.037 10.651 4.650 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.733 9.987 3.152 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -0.254 8.952 4.211 1.00 1.00 H new ATOM 0 HD11 ILE A 60 0.734 10.082 8.181 1.00 1.00 H new ATOM 0 HD12 ILE A 60 1.859 10.990 7.143 1.00 1.00 H new ATOM 0 HD13 ILE A 60 0.156 10.804 6.660 1.00 1.00 H new ATOM 921 N ILE A 61 2.096 7.602 1.940 1.00 1.00 N ATOM 922 CA ILE A 61 2.323 7.765 0.502 1.00 1.00 C ATOM 923 C ILE A 61 1.011 8.127 -0.203 1.00 1.00 C ATOM 924 O ILE A 61 0.256 7.239 -0.604 1.00 1.00 O ATOM 925 CB ILE A 61 2.853 6.453 -0.086 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.051 5.957 0.733 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.280 6.670 -1.538 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.128 7.045 0.841 1.00 1.00 C ATOM 0 H ILE A 61 1.474 6.830 2.180 1.00 1.00 H new ATOM 0 HA ILE A 61 3.049 8.564 0.351 1.00 1.00 H new ATOM 0 HB ILE A 61 2.061 5.705 -0.051 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.720 5.667 1.730 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.473 5.067 0.266 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.656 5.734 -1.951 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.424 7.006 -2.123 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.065 7.425 -1.577 1.00 1.00 H new ATOM 0 HD11 ILE A 61 5.967 6.669 1.426 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.474 7.315 -0.157 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.709 7.924 1.330 1.00 1.00 H new ATOM 940 N PRO A 62 0.713 9.397 -0.357 1.00 1.00 N ATOM 941 CA PRO A 62 -0.548 9.845 -1.027 1.00 1.00 C ATOM 942 C PRO A 62 -0.683 9.301 -2.445 1.00 1.00 C ATOM 943 O PRO A 62 0.297 9.193 -3.181 1.00 1.00 O ATOM 944 CB PRO A 62 -0.443 11.383 -1.022 1.00 1.00 C ATOM 945 CG PRO A 62 0.513 11.695 0.080 1.00 1.00 C ATOM 946 CD PRO A 62 1.515 10.546 0.092 1.00 1.00 C ATOM 0 HA PRO A 62 -1.434 9.477 -0.511 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.080 11.758 -1.979 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -1.414 11.845 -0.846 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.012 12.648 -0.093 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -0.004 11.774 1.036 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.355 10.737 -0.576 1.00 1.00 H new ATOM 0 HD3 PRO A 62 1.930 10.384 1.087 1.00 1.00 H new ATOM 954 N ILE A 63 -1.916 8.963 -2.814 1.00 1.00 N ATOM 955 CA ILE A 63 -2.198 8.427 -4.142 1.00 1.00 C ATOM 956 C ILE A 63 -2.436 9.560 -5.135 1.00 1.00 C ATOM 957 O ILE A 63 -3.316 10.396 -4.940 1.00 1.00 O ATOM 958 CB ILE A 63 -3.427 7.515 -4.073 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.091 6.291 -3.217 1.00 1.00 C ATOM 960 CG2 ILE A 63 -3.819 7.053 -5.478 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.369 5.520 -2.882 1.00 1.00 C ATOM 0 H ILE A 63 -2.735 9.051 -2.212 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.339 7.849 -4.483 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.259 8.065 -3.634 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.395 5.644 -3.751 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.594 6.604 -2.299 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.694 6.405 -5.417 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.052 7.921 -6.095 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.991 6.503 -5.925 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.121 4.651 -2.273 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.050 6.167 -2.330 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.848 5.192 -3.804 1.00 1.00 H new ATOM 973 N ASN A 64 -1.636 9.575 -6.197 1.00 1.00 N ATOM 974 CA ASN A 64 -1.751 10.605 -7.222 1.00 1.00 C ATOM 975 C ASN A 64 -0.788 10.317 -8.368 1.00 1.00 C ATOM 976 O ASN A 64 -0.286 9.202 -8.503 1.00 1.00 O ATOM 977 CB ASN A 64 -1.446 11.981 -6.626 1.00 1.00 C ATOM 978 CG ASN A 64 -0.037 11.994 -6.044 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.760 11.098 -6.325 1.00 1.00 O ATOM 980 ND2 ASN A 64 0.318 12.957 -5.240 1.00 1.00 N ATOM 0 H ASN A 64 -0.903 8.887 -6.369 1.00 1.00 H new ATOM 0 HA ASN A 64 -2.772 10.601 -7.604 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -1.538 12.748 -7.395 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.172 12.219 -5.849 1.00 1.00 H new ATOM 0 HD21 ASN A 64 1.257 12.969 -4.842 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.344 13.698 -5.009 1.00 1.00 H new ATOM 987 N SER A 65 -0.535 11.326 -9.193 1.00 1.00 N ATOM 988 CA SER A 65 0.365 11.163 -10.330 1.00 1.00 C ATOM 989 C SER A 65 1.788 10.852 -9.868 1.00 1.00 C ATOM 990 O SER A 65 2.584 10.298 -10.625 1.00 1.00 O ATOM 991 CB SER A 65 0.375 12.439 -11.170 1.00 1.00 C ATOM 992 OG SER A 65 0.818 13.526 -10.367 1.00 1.00 O ATOM 0 H SER A 65 -0.936 12.259 -9.098 1.00 1.00 H new ATOM 0 HA SER A 65 0.004 10.326 -10.928 1.00 1.00 H new ATOM 0 HB2 SER A 65 1.032 12.316 -12.031 1.00 1.00 H new ATOM 0 HB3 SER A 65 -0.624 12.641 -11.557 1.00 1.00 H new ATOM 0 HG SER A 65 0.827 14.346 -10.903 1.00 1.00 H new ATOM 998 N HIS A 66 2.110 11.214 -8.627 1.00 1.00 N ATOM 999 CA HIS A 66 3.449 10.972 -8.089 1.00 1.00 C ATOM 1000 C HIS A 66 3.559 9.564 -7.501 1.00 1.00 C ATOM 1001 O HIS A 66 4.656 9.098 -7.191 1.00 1.00 O ATOM 1002 CB HIS A 66 3.776 12.008 -7.009 1.00 1.00 C ATOM 1003 CG HIS A 66 3.973 13.360 -7.645 1.00 1.00 C ATOM 1004 ND1 HIS A 66 4.269 14.490 -6.897 1.00 1.00 N ATOM 1005 CD2 HIS A 66 3.916 13.782 -8.951 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.377 15.525 -7.750 1.00 1.00 C ATOM 1007 NE2 HIS A 66 4.172 15.150 -9.015 1.00 1.00 N ATOM 0 H HIS A 66 1.469 11.672 -7.979 1.00 1.00 H new ATOM 0 HA HIS A 66 4.163 11.061 -8.908 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.968 12.053 -6.278 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.677 11.714 -6.470 1.00 1.00 H new ATOM 0 HD2 HIS A 66 3.705 13.149 -9.800 1.00 1.00 H new ATOM 0 HE1 HIS A 66 4.602 16.537 -7.448 1.00 1.00 H new ATOM 0 HE2 HIS A 66 4.197 15.738 -9.848 1.00 1.00 H new ATOM 1015 N PHE A 67 2.417 8.890 -7.351 1.00 1.00 N ATOM 1016 CA PHE A 67 2.383 7.531 -6.801 1.00 1.00 C ATOM 1017 C PHE A 67 1.741 6.576 -7.804 1.00 1.00 C ATOM 1018 O PHE A 67 0.707 6.886 -8.397 1.00 1.00 O ATOM 1019 CB PHE A 67 1.574 7.521 -5.496 1.00 1.00 C ATOM 1020 CG PHE A 67 1.315 6.096 -5.055 1.00 1.00 C ATOM 1021 CD1 PHE A 67 2.308 5.374 -4.382 1.00 1.00 C ATOM 1022 CD2 PHE A 67 0.079 5.495 -5.328 1.00 1.00 C ATOM 1023 CE1 PHE A 67 2.067 4.053 -3.984 1.00 1.00 C ATOM 1024 CE2 PHE A 67 -0.163 4.175 -4.929 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.832 3.453 -4.258 1.00 1.00 C ATOM 0 H PHE A 67 1.502 9.263 -7.603 1.00 1.00 H new ATOM 0 HA PHE A 67 3.404 7.206 -6.600 1.00 1.00 H new ATOM 0 HB2 PHE A 67 2.117 8.058 -4.718 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.628 8.042 -5.642 1.00 1.00 H new ATOM 0 HD1 PHE A 67 3.261 5.836 -4.170 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -0.688 6.051 -5.847 1.00 1.00 H new ATOM 0 HE1 PHE A 67 2.834 3.497 -3.466 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -1.117 3.714 -5.139 1.00 1.00 H new ATOM 0 HZ PHE A 67 0.647 2.434 -3.952 1.00 1.00 H new ATOM 1035 N ARG A 68 2.356 5.407 -7.987 1.00 1.00 N ATOM 1036 CA ARG A 68 1.831 4.405 -8.917 1.00 1.00 C ATOM 1037 C ARG A 68 1.912 3.009 -8.308 1.00 1.00 C ATOM 1038 O ARG A 68 2.783 2.723 -7.489 1.00 1.00 O ATOM 1039 CB ARG A 68 2.620 4.433 -10.231 1.00 1.00 C ATOM 1040 CG ARG A 68 2.322 5.734 -10.978 1.00 1.00 C ATOM 1041 CD ARG A 68 3.124 5.774 -12.283 1.00 1.00 C ATOM 1042 NE ARG A 68 2.823 6.997 -13.020 1.00 1.00 N ATOM 1043 CZ ARG A 68 3.500 7.327 -14.118 1.00 1.00 C ATOM 1044 NH1 ARG A 68 4.504 6.597 -14.516 1.00 1.00 N ATOM 1045 NH2 ARG A 68 3.166 8.396 -14.790 1.00 1.00 N ATOM 0 H ARG A 68 3.213 5.131 -7.507 1.00 1.00 H new ATOM 0 HA ARG A 68 0.787 4.645 -9.117 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.688 4.354 -10.028 1.00 1.00 H new ATOM 0 HB3 ARG A 68 2.349 3.577 -10.848 1.00 1.00 H new ATOM 0 HG2 ARG A 68 1.256 5.806 -11.193 1.00 1.00 H new ATOM 0 HG3 ARG A 68 2.580 6.590 -10.355 1.00 1.00 H new ATOM 0 HD2 ARG A 68 4.191 5.725 -12.065 1.00 1.00 H new ATOM 0 HD3 ARG A 68 2.883 4.904 -12.894 1.00 1.00 H new ATOM 0 HE ARG A 68 2.079 7.611 -12.688 1.00 1.00 H new ATOM 0 HH11 ARG A 68 4.774 5.769 -13.986 1.00 1.00 H new ATOM 0 HH12 ARG A 68 5.019 6.854 -15.358 1.00 1.00 H new ATOM 0 HH21 ARG A 68 2.389 8.975 -14.473 1.00 1.00 H new ATOM 0 HH22 ARG A 68 3.683 8.652 -15.632 1.00 1.00 H new ATOM 1059 N CYS A 69 0.994 2.143 -8.727 1.00 1.00 N ATOM 1060 CA CYS A 69 0.946 0.762 -8.246 1.00 1.00 C ATOM 1061 C CYS A 69 0.642 -0.162 -9.420 1.00 1.00 C ATOM 1062 O CYS A 69 -0.457 -0.123 -9.976 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.141 0.613 -7.177 1.00 1.00 C ATOM 1064 SG CYS A 69 -1.752 1.005 -7.900 1.00 1.00 S ATOM 0 H CYS A 69 0.267 2.374 -9.404 1.00 1.00 H new ATOM 0 HA CYS A 69 1.908 0.498 -7.806 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -0.144 -0.404 -6.785 1.00 1.00 H new ATOM 0 HB3 CYS A 69 0.065 1.278 -6.338 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.809 0.538 -9.112 1.00 1.00 H new ATOM 1070 N VAL A 70 1.622 -0.981 -9.812 1.00 1.00 N ATOM 1071 CA VAL A 70 1.439 -1.896 -10.949 1.00 1.00 C ATOM 1072 C VAL A 70 1.686 -3.341 -10.538 1.00 1.00 C ATOM 1073 O VAL A 70 2.716 -3.664 -9.952 1.00 1.00 O ATOM 1074 CB VAL A 70 2.393 -1.508 -12.083 1.00 1.00 C ATOM 1075 CG1 VAL A 70 1.974 -0.156 -12.667 1.00 1.00 C ATOM 1076 CG2 VAL A 70 3.823 -1.409 -11.548 1.00 1.00 C ATOM 0 H VAL A 70 2.539 -1.032 -9.368 1.00 1.00 H new ATOM 0 HA VAL A 70 0.408 -1.812 -11.292 1.00 1.00 H new ATOM 0 HB VAL A 70 2.351 -2.270 -12.861 1.00 1.00 H new ATOM 0 HG11 VAL A 70 2.654 0.118 -13.474 1.00 1.00 H new ATOM 0 HG12 VAL A 70 0.959 -0.227 -13.057 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.011 0.604 -11.887 1.00 1.00 H new ATOM 0 HG21 VAL A 70 4.497 -1.133 -12.359 1.00 1.00 H new ATOM 0 HG22 VAL A 70 3.867 -0.651 -10.766 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.125 -2.372 -11.137 1.00 1.00 H new ATOM 1086 N GLN A 71 0.726 -4.206 -10.853 1.00 1.00 N ATOM 1087 CA GLN A 71 0.836 -5.620 -10.512 1.00 1.00 C ATOM 1088 C GLN A 71 1.681 -6.358 -11.548 1.00 1.00 C ATOM 1089 O GLN A 71 1.183 -6.746 -12.606 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.563 -6.243 -10.449 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.513 -7.555 -9.666 1.00 1.00 C ATOM 1092 CD GLN A 71 -0.352 -7.264 -8.181 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -1.079 -6.442 -7.631 1.00 1.00 O ATOM 1094 NE2 GLN A 71 0.563 -7.888 -7.495 1.00 1.00 N ATOM 0 H GLN A 71 -0.133 -3.954 -11.342 1.00 1.00 H new ATOM 0 HA GLN A 71 1.321 -5.709 -9.540 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -1.258 -5.551 -9.973 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.935 -6.425 -11.457 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -1.426 -8.126 -9.837 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.317 -8.168 -10.018 1.00 1.00 H new ATOM 0 HE21 GLN A 71 1.167 -8.571 -7.953 1.00 1.00 H new ATOM 0 HE22 GLN A 71 0.676 -7.694 -6.500 1.00 1.00 H new ATOM 1103 N GLU A 72 2.958 -6.544 -11.230 1.00 1.00 N ATOM 1104 CA GLU A 72 3.883 -7.238 -12.128 1.00 1.00 C ATOM 1105 C GLU A 72 3.954 -6.548 -13.486 1.00 1.00 C ATOM 1106 O GLU A 72 4.677 -6.991 -14.378 1.00 1.00 O ATOM 1107 CB GLU A 72 3.429 -8.681 -12.330 1.00 1.00 C ATOM 1108 CG GLU A 72 3.355 -9.373 -10.976 1.00 1.00 C ATOM 1109 CD GLU A 72 2.857 -10.805 -11.150 1.00 1.00 C ATOM 1110 OE1 GLU A 72 2.707 -11.226 -12.286 1.00 1.00 O ATOM 1111 OE2 GLU A 72 2.635 -11.460 -10.144 1.00 1.00 O ATOM 0 H GLU A 72 3.379 -6.225 -10.357 1.00 1.00 H new ATOM 0 HA GLU A 72 4.872 -7.217 -11.669 1.00 1.00 H new ATOM 0 HB2 GLU A 72 2.455 -8.704 -12.818 1.00 1.00 H new ATOM 0 HB3 GLU A 72 4.125 -9.207 -12.984 1.00 1.00 H new ATOM 0 HG2 GLU A 72 4.338 -9.375 -10.505 1.00 1.00 H new ATOM 0 HG3 GLU A 72 2.686 -8.824 -10.314 1.00 1.00 H new ATOM 1118 N ALA A 73 3.195 -5.471 -13.633 1.00 1.00 N ATOM 1119 CA ALA A 73 3.158 -4.716 -14.890 1.00 1.00 C ATOM 1120 C ALA A 73 4.129 -3.540 -14.849 1.00 1.00 C ATOM 1121 O ALA A 73 4.391 -2.970 -13.790 1.00 1.00 O ATOM 1122 CB ALA A 73 1.736 -4.205 -15.157 1.00 1.00 C ATOM 0 H ALA A 73 2.594 -5.095 -12.900 1.00 1.00 H new ATOM 0 HA ALA A 73 3.459 -5.385 -15.696 1.00 1.00 H new ATOM 0 HB1 ALA A 73 1.720 -3.646 -16.093 1.00 1.00 H new ATOM 0 HB2 ALA A 73 1.053 -5.051 -15.228 1.00 1.00 H new ATOM 0 HB3 ALA A 73 1.424 -3.554 -14.340 1.00 1.00 H new ATOM 1128 N GLU A 74 4.661 -3.184 -16.014 1.00 1.00 N ATOM 1129 CA GLU A 74 5.604 -2.076 -16.115 1.00 1.00 C ATOM 1130 C GLU A 74 4.888 -0.741 -15.925 1.00 1.00 C ATOM 1131 O GLU A 74 5.366 0.132 -15.202 1.00 1.00 O ATOM 1132 CB GLU A 74 6.292 -2.101 -17.482 1.00 1.00 C ATOM 1133 CG GLU A 74 7.164 -3.355 -17.605 1.00 1.00 C ATOM 1134 CD GLU A 74 8.316 -3.296 -16.607 1.00 1.00 C ATOM 1135 OE1 GLU A 74 9.044 -2.317 -16.630 1.00 1.00 O ATOM 1136 OE2 GLU A 74 8.457 -4.233 -15.838 1.00 1.00 O ATOM 0 H GLU A 74 4.456 -3.646 -16.900 1.00 1.00 H new ATOM 0 HA GLU A 74 6.352 -2.186 -15.330 1.00 1.00 H new ATOM 0 HB2 GLU A 74 5.544 -2.088 -18.275 1.00 1.00 H new ATOM 0 HB3 GLU A 74 6.904 -1.208 -17.607 1.00 1.00 H new ATOM 0 HG2 GLU A 74 6.561 -4.245 -17.424 1.00 1.00 H new ATOM 0 HG3 GLU A 74 7.556 -3.436 -18.619 1.00 1.00 H new ATOM 1143 N GLU A 75 3.739 -0.594 -16.579 1.00 1.00 N ATOM 1144 CA GLU A 75 2.967 0.639 -16.474 1.00 1.00 C ATOM 1145 C GLU A 75 1.527 0.413 -16.927 1.00 1.00 C ATOM 1146 O GLU A 75 1.175 0.686 -18.075 1.00 1.00 O ATOM 1147 CB GLU A 75 3.612 1.733 -17.331 1.00 1.00 C ATOM 1148 CG GLU A 75 2.861 3.053 -17.130 1.00 1.00 C ATOM 1149 CD GLU A 75 3.540 4.164 -17.924 1.00 1.00 C ATOM 1150 OE1 GLU A 75 4.394 3.848 -18.737 1.00 1.00 O ATOM 1151 OE2 GLU A 75 3.192 5.314 -17.713 1.00 1.00 O ATOM 0 H GLU A 75 3.326 -1.306 -17.181 1.00 1.00 H new ATOM 0 HA GLU A 75 2.959 0.953 -15.430 1.00 1.00 H new ATOM 0 HB2 GLU A 75 4.660 1.854 -17.056 1.00 1.00 H new ATOM 0 HB3 GLU A 75 3.589 1.446 -18.382 1.00 1.00 H new ATOM 0 HG2 GLU A 75 1.825 2.945 -17.452 1.00 1.00 H new ATOM 0 HG3 GLU A 75 2.840 3.312 -16.071 1.00 1.00 H new ATOM 1158 N THR A 76 0.700 -0.091 -16.015 1.00 1.00 N ATOM 1159 CA THR A 76 -0.699 -0.349 -16.319 1.00 1.00 C ATOM 1160 C THR A 76 -1.527 -0.309 -15.042 1.00 1.00 C ATOM 1161 O THR A 76 -1.817 -1.343 -14.441 1.00 1.00 O ATOM 1162 CB THR A 76 -0.843 -1.720 -16.975 1.00 1.00 C ATOM 1163 OG1 THR A 76 0.154 -1.874 -17.974 1.00 1.00 O ATOM 1164 CG2 THR A 76 -2.225 -1.826 -17.608 1.00 1.00 C ATOM 0 H THR A 76 0.976 -0.327 -15.062 1.00 1.00 H new ATOM 0 HA THR A 76 -1.057 0.420 -17.003 1.00 1.00 H new ATOM 0 HB THR A 76 -0.723 -2.503 -16.226 1.00 1.00 H new ATOM 0 HG1 THR A 76 0.063 -2.755 -18.394 1.00 1.00 H new ATOM 0 HG21 THR A 76 -2.336 -2.803 -18.079 1.00 1.00 H new ATOM 0 HG22 THR A 76 -2.988 -1.706 -16.839 1.00 1.00 H new ATOM 0 HG23 THR A 76 -2.342 -1.046 -18.360 1.00 1.00 H new ATOM 1172 N LEU A 77 -1.893 0.894 -14.625 1.00 1.00 N ATOM 1173 CA LEU A 77 -2.678 1.073 -13.408 1.00 1.00 C ATOM 1174 C LEU A 77 -4.062 0.443 -13.538 1.00 1.00 C ATOM 1175 O LEU A 77 -4.620 -0.039 -12.556 1.00 1.00 O ATOM 1176 CB LEU A 77 -2.839 2.567 -13.090 1.00 1.00 C ATOM 1177 CG LEU A 77 -1.485 3.278 -13.165 1.00 1.00 C ATOM 1178 CD1 LEU A 77 -1.630 4.699 -12.619 1.00 1.00 C ATOM 1179 CD2 LEU A 77 -0.445 2.514 -12.340 1.00 1.00 C ATOM 0 H LEU A 77 -1.660 1.761 -15.109 1.00 1.00 H new ATOM 0 HA LEU A 77 -2.140 0.577 -12.600 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -3.535 3.022 -13.794 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -3.267 2.689 -12.095 1.00 1.00 H new ATOM 0 HG LEU A 77 -1.155 3.315 -14.203 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -0.668 5.209 -12.671 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -2.362 5.245 -13.214 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -1.964 4.658 -11.582 1.00 1.00 H new ATOM 0 HD21 LEU A 77 0.515 3.027 -12.399 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -0.768 2.468 -11.300 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -0.341 1.503 -12.733 1.00 1.00 H new ATOM 1191 N LEU A 78 -4.624 0.468 -14.741 1.00 1.00 N ATOM 1192 CA LEU A 78 -5.952 -0.083 -14.951 1.00 1.00 C ATOM 1193 C LEU A 78 -5.949 -1.579 -14.657 1.00 1.00 C ATOM 1194 O LEU A 78 -6.878 -2.102 -14.044 1.00 1.00 O ATOM 1195 CB LEU A 78 -6.409 0.189 -16.399 1.00 1.00 C ATOM 1196 CG LEU A 78 -7.942 0.368 -16.471 1.00 1.00 C ATOM 1197 CD1 LEU A 78 -8.638 -0.836 -15.818 1.00 1.00 C ATOM 1198 CD2 LEU A 78 -8.374 1.676 -15.761 1.00 1.00 C ATOM 0 H LEU A 78 -4.185 0.859 -15.575 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.654 0.399 -14.270 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.916 1.085 -16.777 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -6.105 -0.637 -17.041 1.00 1.00 H new ATOM 0 HG LEU A 78 -8.235 0.431 -17.519 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.719 -0.705 -15.872 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -8.357 -1.748 -16.344 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -8.333 -0.911 -14.774 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.457 1.783 -15.823 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -8.073 1.638 -14.714 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.897 2.528 -16.246 1.00 1.00 H new ATOM 1210 N ILE A 79 -4.901 -2.270 -15.096 1.00 1.00 N ATOM 1211 CA ILE A 79 -4.808 -3.709 -14.868 1.00 1.00 C ATOM 1212 C ILE A 79 -4.094 -4.011 -13.553 1.00 1.00 C ATOM 1213 O ILE A 79 -3.032 -3.458 -13.262 1.00 1.00 O ATOM 1214 CB ILE A 79 -4.060 -4.384 -16.020 1.00 1.00 C ATOM 1215 CG1 ILE A 79 -4.754 -4.069 -17.357 1.00 1.00 C ATOM 1216 CG2 ILE A 79 -4.018 -5.898 -15.798 1.00 1.00 C ATOM 1217 CD1 ILE A 79 -6.225 -4.518 -17.345 1.00 1.00 C ATOM 0 H ILE A 79 -4.115 -1.865 -15.604 1.00 1.00 H new ATOM 0 HA ILE A 79 -5.823 -4.103 -14.814 1.00 1.00 H new ATOM 0 HB ILE A 79 -3.040 -4.000 -16.052 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -4.700 -2.998 -17.553 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -4.226 -4.569 -18.169 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -3.484 -6.372 -16.622 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -3.505 -6.114 -14.861 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -5.035 -6.287 -15.753 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -6.686 -4.281 -18.304 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -6.276 -5.593 -17.174 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -6.758 -3.998 -16.548 1.00 1.00 H new ATOM 1229 N ASP A 80 -4.690 -4.897 -12.763 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.116 -5.283 -11.480 1.00 1.00 C ATOM 1231 C ASP A 80 -4.842 -6.504 -10.924 1.00 1.00 C ATOM 1232 O ASP A 80 -4.219 -7.424 -10.392 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.227 -4.120 -10.489 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.469 -4.446 -9.207 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -3.360 -5.619 -8.887 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -3.005 -3.518 -8.564 1.00 1.00 O ATOM 0 H ASP A 80 -5.570 -5.361 -12.989 1.00 1.00 H new ATOM 0 HA ASP A 80 -3.065 -5.532 -11.626 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -3.825 -3.211 -10.937 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -5.275 -3.926 -10.261 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.164 -6.502 -11.055 1.00 1.00 N ATOM 1242 CA ILE A 81 -6.984 -7.609 -10.573 1.00 1.00 C ATOM 1243 C ILE A 81 -6.798 -8.840 -11.455 1.00 1.00 C ATOM 1244 O ILE A 81 -7.027 -9.969 -11.021 1.00 1.00 O ATOM 1245 CB ILE A 81 -8.457 -7.194 -10.568 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -8.613 -5.859 -9.828 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -9.303 -8.266 -9.881 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -7.998 -5.940 -8.424 1.00 1.00 C ATOM 0 H ILE A 81 -6.692 -5.746 -11.491 1.00 1.00 H new ATOM 0 HA ILE A 81 -6.672 -7.859 -9.559 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.798 -7.081 -11.597 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -8.130 -5.064 -10.396 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -9.669 -5.601 -9.753 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.349 -7.960 -9.883 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.200 -9.210 -10.417 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -8.964 -8.393 -8.853 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -8.120 -4.983 -7.918 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -8.500 -6.720 -7.851 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -6.937 -6.175 -8.505 1.00 1.00 H new ATOM 1260 N ALA A 82 -6.390 -8.611 -12.700 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.184 -9.701 -13.647 1.00 1.00 C ATOM 1262 C ALA A 82 -5.197 -10.727 -13.096 1.00 1.00 C ATOM 1263 O ALA A 82 -4.944 -11.755 -13.724 1.00 1.00 O ATOM 1264 CB ALA A 82 -5.651 -9.146 -14.971 1.00 1.00 C ATOM 0 H ALA A 82 -6.196 -7.683 -13.075 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.143 -10.193 -13.811 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.499 -9.965 -15.674 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -6.371 -8.440 -15.386 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -4.703 -8.637 -14.797 1.00 1.00 H new ATOM 1270 N SER A 83 -4.640 -10.443 -11.918 1.00 1.00 N ATOM 1271 CA SER A 83 -3.678 -11.348 -11.287 1.00 1.00 C ATOM 1272 C SER A 83 -3.940 -11.437 -9.787 1.00 1.00 C ATOM 1273 O SER A 83 -4.212 -10.431 -9.132 1.00 1.00 O ATOM 1274 CB SER A 83 -2.254 -10.847 -11.531 1.00 1.00 C ATOM 1275 OG SER A 83 -1.339 -11.654 -10.802 1.00 1.00 O ATOM 0 H SER A 83 -4.837 -9.597 -11.383 1.00 1.00 H new ATOM 0 HA SER A 83 -3.792 -12.339 -11.726 1.00 1.00 H new ATOM 0 HB2 SER A 83 -2.021 -10.884 -12.595 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.165 -9.806 -11.221 1.00 1.00 H new ATOM 0 HG SER A 83 -0.425 -11.336 -10.958 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.854 -12.652 -9.254 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.083 -12.884 -7.831 1.00 1.00 C ATOM 1283 C ASN A 84 -3.195 -14.017 -7.336 1.00 1.00 C ATOM 1284 O ASN A 84 -2.307 -14.475 -8.055 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.555 -13.235 -7.589 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.439 -12.002 -7.782 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.596 -12.129 -8.182 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.968 -10.814 -7.514 1.00 1.00 N ATOM 0 H ASN A 84 -3.627 -13.492 -9.786 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.837 -11.975 -7.282 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.865 -14.023 -8.276 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.681 -13.625 -6.579 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -6.559 -9.992 -7.636 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -5.009 -10.708 -7.182 1.00 1.00 H new ATOM 1295 N SER A 85 -3.426 -14.454 -6.104 1.00 1.00 N ATOM 1296 CA SER A 85 -2.622 -15.522 -5.526 1.00 1.00 C ATOM 1297 C SER A 85 -1.167 -15.078 -5.440 1.00 1.00 C ATOM 1298 O SER A 85 -0.374 -15.349 -6.341 1.00 1.00 O ATOM 1299 CB SER A 85 -2.734 -16.779 -6.387 1.00 1.00 C ATOM 1300 OG SER A 85 -4.085 -16.946 -6.795 1.00 1.00 O ATOM 0 H SER A 85 -4.156 -14.089 -5.492 1.00 1.00 H new ATOM 0 HA SER A 85 -2.987 -15.746 -4.524 1.00 1.00 H new ATOM 0 HB2 SER A 85 -2.086 -16.696 -7.259 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.401 -17.651 -5.824 1.00 1.00 H new ATOM 0 HG SER A 85 -4.162 -17.751 -7.349 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.829 -14.378 -4.361 1.00 1.00 N ATOM 1307 CA GLY A 86 0.531 -13.880 -4.186 1.00 1.00 C ATOM 1308 C GLY A 86 0.822 -12.811 -5.233 1.00 1.00 C ATOM 1309 O GLY A 86 1.461 -13.078 -6.251 1.00 1.00 O ATOM 0 H GLY A 86 -1.470 -14.145 -3.603 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.651 -13.466 -3.185 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.244 -14.699 -4.280 1.00 1.00 H new ATOM 1313 N CYS A 87 0.310 -11.604 -4.987 1.00 1.00 N ATOM 1314 CA CYS A 87 0.474 -10.490 -5.929 1.00 1.00 C ATOM 1315 C CYS A 87 1.646 -9.581 -5.540 1.00 1.00 C ATOM 1316 O CYS A 87 1.805 -9.220 -4.373 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.835 -9.643 -5.977 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.162 -10.476 -5.061 1.00 1.00 S ATOM 0 H CYS A 87 -0.220 -11.371 -4.147 1.00 1.00 H new ATOM 0 HA CYS A 87 0.685 -10.917 -6.909 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.653 -8.657 -5.550 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -1.139 -9.491 -7.013 1.00 1.00 H new ATOM 1323 N LYS A 88 2.429 -9.171 -6.541 1.00 1.00 N ATOM 1324 CA LYS A 88 3.544 -8.248 -6.323 1.00 1.00 C ATOM 1325 C LYS A 88 3.208 -6.925 -7.006 1.00 1.00 C ATOM 1326 O LYS A 88 2.872 -6.905 -8.192 1.00 1.00 O ATOM 1327 CB LYS A 88 4.839 -8.800 -6.924 1.00 1.00 C ATOM 1328 CG LYS A 88 5.268 -10.077 -6.196 1.00 1.00 C ATOM 1329 CD LYS A 88 6.529 -10.624 -6.868 1.00 1.00 C ATOM 1330 CE LYS A 88 6.994 -11.899 -6.158 1.00 1.00 C ATOM 1331 NZ LYS A 88 8.225 -12.420 -6.822 1.00 1.00 N ATOM 0 H LYS A 88 2.311 -9.464 -7.511 1.00 1.00 H new ATOM 0 HA LYS A 88 3.691 -8.113 -5.251 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.694 -9.010 -7.984 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.628 -8.051 -6.852 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.462 -9.866 -5.144 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.470 -10.818 -6.230 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.328 -10.836 -7.918 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.320 -9.874 -6.840 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.196 -11.690 -5.108 1.00 1.00 H new ATOM 0 HE3 LYS A 88 6.206 -12.652 -6.187 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 8.540 -13.286 -6.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 8.018 -12.635 -7.818 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 8.976 -11.703 -6.772 1.00 1.00 H new ATOM 1345 N ILE A 89 3.291 -5.822 -6.257 1.00 1.00 N ATOM 1346 CA ILE A 89 2.986 -4.495 -6.808 1.00 1.00 C ATOM 1347 C ILE A 89 4.221 -3.605 -6.741 1.00 1.00 C ATOM 1348 O ILE A 89 4.880 -3.527 -5.706 1.00 1.00 O ATOM 1349 CB ILE A 89 1.839 -3.827 -6.021 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.128 -3.853 -4.489 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.528 -4.566 -6.322 1.00 1.00 C ATOM 1352 CD1 ILE A 89 2.531 -2.451 -3.998 1.00 1.00 C ATOM 0 H ILE A 89 3.565 -5.819 -5.274 1.00 1.00 H new ATOM 0 HA ILE A 89 2.679 -4.622 -7.846 1.00 1.00 H new ATOM 0 HB ILE A 89 1.756 -2.785 -6.330 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.244 -4.194 -3.951 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.926 -4.564 -4.274 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.288 -4.100 -5.769 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.318 -4.515 -7.390 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.621 -5.609 -6.020 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.730 -2.484 -2.927 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.429 -2.125 -4.524 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.720 -1.749 -4.195 1.00 1.00 H new ATOM 1364 N ARG A 90 4.534 -2.938 -7.851 1.00 1.00 N ATOM 1365 CA ARG A 90 5.700 -2.055 -7.901 1.00 1.00 C ATOM 1366 C ARG A 90 5.269 -0.612 -7.660 1.00 1.00 C ATOM 1367 O ARG A 90 4.207 -0.187 -8.117 1.00 1.00 O ATOM 1368 CB ARG A 90 6.398 -2.171 -9.264 1.00 1.00 C ATOM 1369 CG ARG A 90 6.357 -3.623 -9.753 1.00 1.00 C ATOM 1370 CD ARG A 90 7.018 -4.532 -8.721 1.00 1.00 C ATOM 1371 NE ARG A 90 7.167 -5.877 -9.264 1.00 1.00 N ATOM 1372 CZ ARG A 90 7.490 -6.908 -8.489 1.00 1.00 C ATOM 1373 NH1 ARG A 90 7.624 -6.751 -7.200 1.00 1.00 N ATOM 1374 NH2 ARG A 90 7.665 -8.087 -9.022 1.00 1.00 N ATOM 0 H ARG A 90 4.003 -2.990 -8.720 1.00 1.00 H new ATOM 0 HA ARG A 90 6.400 -2.355 -7.121 1.00 1.00 H new ATOM 0 HB2 ARG A 90 5.908 -1.521 -9.989 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.432 -1.835 -9.182 1.00 1.00 H new ATOM 0 HG2 ARG A 90 5.325 -3.933 -9.917 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.871 -3.709 -10.710 1.00 1.00 H new ATOM 0 HD2 ARG A 90 7.994 -4.133 -8.444 1.00 1.00 H new ATOM 0 HD3 ARG A 90 6.417 -4.562 -7.812 1.00 1.00 H new ATOM 0 HE ARG A 90 7.020 -6.031 -10.262 1.00 1.00 H new ATOM 0 HH11 ARG A 90 7.481 -5.832 -6.781 1.00 1.00 H new ATOM 0 HH12 ARG A 90 7.872 -7.547 -6.612 1.00 1.00 H new ATOM 0 HH21 ARG A 90 7.554 -8.213 -10.028 1.00 1.00 H new ATOM 0 HH22 ARG A 90 7.913 -8.882 -8.432 1.00 1.00 H new ATOM 1388 N VAL A 91 6.093 0.132 -6.927 1.00 1.00 N ATOM 1389 CA VAL A 91 5.790 1.528 -6.611 1.00 1.00 C ATOM 1390 C VAL A 91 6.896 2.444 -7.119 1.00 1.00 C ATOM 1391 O VAL A 91 8.081 2.167 -6.938 1.00 1.00 O ATOM 1392 CB VAL A 91 5.644 1.692 -5.100 1.00 1.00 C ATOM 1393 CG1 VAL A 91 5.510 3.176 -4.745 1.00 1.00 C ATOM 1394 CG2 VAL A 91 4.399 0.939 -4.625 1.00 1.00 C ATOM 0 H VAL A 91 6.974 -0.206 -6.541 1.00 1.00 H new ATOM 0 HA VAL A 91 4.856 1.802 -7.102 1.00 1.00 H new ATOM 0 HB VAL A 91 6.528 1.286 -4.609 1.00 1.00 H new ATOM 0 HG11 VAL A 91 5.406 3.284 -3.665 1.00 1.00 H new ATOM 0 HG12 VAL A 91 6.398 3.712 -5.080 1.00 1.00 H new ATOM 0 HG13 VAL A 91 4.630 3.590 -5.237 1.00 1.00 H new ATOM 0 HG21 VAL A 91 4.293 1.055 -3.546 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.517 1.344 -5.122 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.499 -0.119 -4.868 1.00 1.00 H new ATOM 1404 N GLN A 92 6.492 3.539 -7.751 1.00 1.00 N ATOM 1405 CA GLN A 92 7.443 4.514 -8.284 1.00 1.00 C ATOM 1406 C GLN A 92 6.895 5.927 -8.120 1.00 1.00 C ATOM 1407 O GLN A 92 5.683 6.139 -8.129 1.00 1.00 O ATOM 1408 CB GLN A 92 7.703 4.237 -9.766 1.00 1.00 C ATOM 1409 CG GLN A 92 8.761 5.213 -10.284 1.00 1.00 C ATOM 1410 CD GLN A 92 9.159 4.844 -11.707 1.00 1.00 C ATOM 1411 OE1 GLN A 92 8.910 3.724 -12.151 1.00 1.00 O ATOM 1412 NE2 GLN A 92 9.765 5.726 -12.455 1.00 1.00 N ATOM 0 H GLN A 92 5.513 3.777 -7.908 1.00 1.00 H new ATOM 0 HA GLN A 92 8.378 4.426 -7.731 1.00 1.00 H new ATOM 0 HB2 GLN A 92 8.041 3.210 -9.902 1.00 1.00 H new ATOM 0 HB3 GLN A 92 6.780 4.347 -10.336 1.00 1.00 H new ATOM 0 HG2 GLN A 92 8.372 6.231 -10.259 1.00 1.00 H new ATOM 0 HG3 GLN A 92 9.637 5.191 -9.635 1.00 1.00 H new ATOM 0 HE21 GLN A 92 9.970 6.654 -12.085 1.00 1.00 H new ATOM 0 HE22 GLN A 92 10.033 5.487 -13.410 1.00 1.00 H new ATOM 1421 N GLY A 93 7.796 6.892 -7.977 1.00 1.00 N ATOM 1422 CA GLY A 93 7.396 8.284 -7.822 1.00 1.00 C ATOM 1423 C GLY A 93 8.613 9.199 -7.853 1.00 1.00 C ATOM 1424 O GLY A 93 9.727 8.771 -7.575 1.00 1.00 O ATOM 0 H GLY A 93 8.804 6.737 -7.965 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.706 8.561 -8.619 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.862 8.412 -6.880 1.00 1.00 H new ATOM 1428 N ASP A 94 8.396 10.456 -8.208 1.00 1.00 N ATOM 1429 CA ASP A 94 9.488 11.422 -8.283 1.00 1.00 C ATOM 1430 C ASP A 94 10.085 11.706 -6.902 1.00 1.00 C ATOM 1431 O ASP A 94 11.303 11.791 -6.749 1.00 1.00 O ATOM 1432 CB ASP A 94 8.977 12.726 -8.896 1.00 1.00 C ATOM 1433 CG ASP A 94 8.705 12.532 -10.385 1.00 1.00 C ATOM 1434 OD1 ASP A 94 9.206 11.565 -10.937 1.00 1.00 O ATOM 1435 OD2 ASP A 94 8.004 13.352 -10.950 1.00 1.00 O ATOM 0 H ASP A 94 7.479 10.833 -8.448 1.00 1.00 H new ATOM 0 HA ASP A 94 10.272 10.995 -8.909 1.00 1.00 H new ATOM 0 HB2 ASP A 94 8.065 13.043 -8.390 1.00 1.00 H new ATOM 0 HB3 ASP A 94 9.712 13.518 -8.752 1.00 1.00 H new ATOM 1440 N TRP A 95 9.214 11.881 -5.909 1.00 1.00 N ATOM 1441 CA TRP A 95 9.654 12.188 -4.545 1.00 1.00 C ATOM 1442 C TRP A 95 10.006 10.924 -3.751 1.00 1.00 C ATOM 1443 O TRP A 95 10.513 11.011 -2.632 1.00 1.00 O ATOM 1444 CB TRP A 95 8.559 12.988 -3.824 1.00 1.00 C ATOM 1445 CG TRP A 95 7.444 12.084 -3.400 1.00 1.00 C ATOM 1446 CD1 TRP A 95 6.716 11.295 -4.226 1.00 1.00 C ATOM 1447 CD2 TRP A 95 6.918 11.869 -2.059 1.00 1.00 C ATOM 1448 NE1 TRP A 95 5.787 10.603 -3.475 1.00 1.00 N ATOM 1449 CE2 TRP A 95 5.872 10.922 -2.137 1.00 1.00 C ATOM 1450 CE3 TRP A 95 7.247 12.393 -0.798 1.00 1.00 C ATOM 1451 CZ2 TRP A 95 5.178 10.507 -1.005 1.00 1.00 C ATOM 1452 CZ3 TRP A 95 6.548 11.979 0.347 1.00 1.00 C ATOM 1453 CH2 TRP A 95 5.515 11.039 0.243 1.00 1.00 C ATOM 0 H TRP A 95 8.202 11.816 -6.021 1.00 1.00 H new ATOM 0 HA TRP A 95 10.564 12.784 -4.611 1.00 1.00 H new ATOM 0 HB2 TRP A 95 8.980 13.489 -2.953 1.00 1.00 H new ATOM 0 HB3 TRP A 95 8.174 13.766 -4.484 1.00 1.00 H new ATOM 0 HD1 TRP A 95 6.842 11.220 -5.296 1.00 1.00 H new ATOM 0 HE1 TRP A 95 5.119 9.937 -3.863 1.00 1.00 H new ATOM 0 HE3 TRP A 95 8.042 13.118 -0.709 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 4.385 9.779 -1.090 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 6.808 12.387 1.312 1.00 1.00 H new ATOM 0 HH2 TRP A 95 4.979 10.725 1.127 1.00 1.00 H new ATOM 1464 N ILE A 96 9.734 9.751 -4.326 1.00 1.00 N ATOM 1465 CA ILE A 96 10.030 8.473 -3.658 1.00 1.00 C ATOM 1466 C ILE A 96 10.820 7.560 -4.595 1.00 1.00 C ATOM 1467 O ILE A 96 10.731 7.692 -5.809 1.00 1.00 O ATOM 1468 CB ILE A 96 8.720 7.794 -3.238 1.00 1.00 C ATOM 1469 CG1 ILE A 96 7.757 7.770 -4.429 1.00 1.00 C ATOM 1470 CG2 ILE A 96 8.091 8.574 -2.077 1.00 1.00 C ATOM 1471 CD1 ILE A 96 6.546 6.893 -4.097 1.00 1.00 C ATOM 0 H ILE A 96 9.311 9.655 -5.249 1.00 1.00 H new ATOM 0 HA ILE A 96 10.632 8.665 -2.770 1.00 1.00 H new ATOM 0 HB ILE A 96 8.922 6.772 -2.917 1.00 1.00 H new ATOM 0 HG12 ILE A 96 7.431 8.783 -4.665 1.00 1.00 H new ATOM 0 HG13 ILE A 96 8.266 7.385 -5.313 1.00 1.00 H new ATOM 0 HG21 ILE A 96 7.160 8.093 -1.777 1.00 1.00 H new ATOM 0 HG22 ILE A 96 8.780 8.588 -1.233 1.00 1.00 H new ATOM 0 HG23 ILE A 96 7.885 9.596 -2.395 1.00 1.00 H new ATOM 0 HD11 ILE A 96 5.863 6.879 -4.947 1.00 1.00 H new ATOM 0 HD12 ILE A 96 6.880 5.878 -3.882 1.00 1.00 H new ATOM 0 HD13 ILE A 96 6.032 7.298 -3.225 1.00 1.00 H new ATOM 1483 N ARG A 97 11.599 6.638 -4.029 1.00 1.00 N ATOM 1484 CA ARG A 97 12.402 5.715 -4.842 1.00 1.00 C ATOM 1485 C ARG A 97 11.656 4.404 -5.060 1.00 1.00 C ATOM 1486 O ARG A 97 10.733 4.077 -4.318 1.00 1.00 O ATOM 1487 CB ARG A 97 13.741 5.425 -4.157 1.00 1.00 C ATOM 1488 CG ARG A 97 14.586 6.700 -4.104 1.00 1.00 C ATOM 1489 CD ARG A 97 15.895 6.411 -3.368 1.00 1.00 C ATOM 1490 NE ARG A 97 15.631 6.156 -1.956 1.00 1.00 N ATOM 1491 CZ ARG A 97 16.536 5.574 -1.176 1.00 1.00 C ATOM 1492 NH1 ARG A 97 17.657 5.138 -1.681 1.00 1.00 N ATOM 1493 NH2 ARG A 97 16.294 5.423 0.098 1.00 1.00 N ATOM 0 H ARG A 97 11.693 6.508 -3.022 1.00 1.00 H new ATOM 0 HA ARG A 97 12.584 6.189 -5.807 1.00 1.00 H new ATOM 0 HB2 ARG A 97 13.570 5.050 -3.148 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.276 4.646 -4.700 1.00 1.00 H new ATOM 0 HG2 ARG A 97 14.794 7.054 -5.114 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.037 7.492 -3.595 1.00 1.00 H new ATOM 0 HD2 ARG A 97 16.390 5.549 -3.815 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.574 7.257 -3.472 1.00 1.00 H new ATOM 0 HE ARG A 97 14.732 6.430 -1.559 1.00 1.00 H new ATOM 0 HH11 ARG A 97 17.842 5.243 -2.679 1.00 1.00 H new ATOM 0 HH12 ARG A 97 18.349 4.692 -1.078 1.00 1.00 H new ATOM 0 HH21 ARG A 97 15.412 5.751 0.492 1.00 1.00 H new ATOM 0 HH22 ARG A 97 16.987 4.977 0.699 1.00 1.00 H new ATOM 1507 N GLU A 98 12.063 3.658 -6.081 1.00 1.00 N ATOM 1508 CA GLU A 98 11.415 2.385 -6.379 1.00 1.00 C ATOM 1509 C GLU A 98 11.496 1.454 -5.175 1.00 1.00 C ATOM 1510 O GLU A 98 12.556 1.289 -4.571 1.00 1.00 O ATOM 1511 CB GLU A 98 12.085 1.726 -7.593 1.00 1.00 C ATOM 1512 CG GLU A 98 11.327 0.452 -7.996 1.00 1.00 C ATOM 1513 CD GLU A 98 9.967 0.814 -8.582 1.00 1.00 C ATOM 1514 OE1 GLU A 98 9.735 1.990 -8.799 1.00 1.00 O ATOM 1515 OE2 GLU A 98 9.178 -0.090 -8.805 1.00 1.00 O ATOM 0 H GLU A 98 12.827 3.907 -6.709 1.00 1.00 H new ATOM 0 HA GLU A 98 10.366 2.573 -6.608 1.00 1.00 H new ATOM 0 HB2 GLU A 98 12.105 2.425 -8.429 1.00 1.00 H new ATOM 0 HB3 GLU A 98 13.121 1.481 -7.357 1.00 1.00 H new ATOM 0 HG2 GLU A 98 11.908 -0.110 -8.727 1.00 1.00 H new ATOM 0 HG3 GLU A 98 11.197 -0.193 -7.127 1.00 1.00 H new ATOM 1522 N ARG A 99 10.360 0.846 -4.839 1.00 1.00 N ATOM 1523 CA ARG A 99 10.276 -0.082 -3.710 1.00 1.00 C ATOM 1524 C ARG A 99 9.377 -1.259 -4.080 1.00 1.00 C ATOM 1525 O ARG A 99 8.232 -1.062 -4.488 1.00 1.00 O ATOM 1526 CB ARG A 99 9.690 0.642 -2.496 1.00 1.00 C ATOM 1527 CG ARG A 99 10.696 1.664 -1.957 1.00 1.00 C ATOM 1528 CD ARG A 99 10.055 2.445 -0.807 1.00 1.00 C ATOM 1529 NE ARG A 99 11.003 3.408 -0.259 1.00 1.00 N ATOM 1530 CZ ARG A 99 10.640 4.272 0.685 1.00 1.00 C ATOM 1531 NH1 ARG A 99 9.415 4.266 1.141 1.00 1.00 N ATOM 1532 NH2 ARG A 99 11.507 5.128 1.156 1.00 1.00 N ATOM 0 H ARG A 99 9.479 0.980 -5.335 1.00 1.00 H new ATOM 0 HA ARG A 99 11.274 -0.449 -3.470 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.763 1.144 -2.774 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.440 -0.079 -1.718 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.597 1.157 -1.610 1.00 1.00 H new ATOM 0 HG3 ARG A 99 11.000 2.346 -2.751 1.00 1.00 H new ATOM 0 HD2 ARG A 99 9.164 2.963 -1.162 1.00 1.00 H new ATOM 0 HD3 ARG A 99 9.733 1.756 -0.026 1.00 1.00 H new ATOM 0 HE ARG A 99 11.962 3.419 -0.606 1.00 1.00 H new ATOM 0 HH11 ARG A 99 8.737 3.599 0.773 1.00 1.00 H new ATOM 0 HH12 ARG A 99 9.137 4.929 1.865 1.00 1.00 H new ATOM 0 HH21 ARG A 99 12.463 5.134 0.800 1.00 1.00 H new ATOM 0 HH22 ARG A 99 11.228 5.790 1.880 1.00 1.00 H new ATOM 1546 N ARG A 100 9.887 -2.482 -3.942 1.00 1.00 N ATOM 1547 CA ARG A 100 9.094 -3.673 -4.276 1.00 1.00 C ATOM 1548 C ARG A 100 8.275 -4.147 -3.074 1.00 1.00 C ATOM 1549 O ARG A 100 8.719 -4.057 -1.929 1.00 1.00 O ATOM 1550 CB ARG A 100 10.002 -4.803 -4.783 1.00 1.00 C ATOM 1551 CG ARG A 100 10.518 -4.460 -6.184 1.00 1.00 C ATOM 1552 CD ARG A 100 11.429 -5.574 -6.708 1.00 1.00 C ATOM 1553 NE ARG A 100 11.910 -5.202 -8.037 1.00 1.00 N ATOM 1554 CZ ARG A 100 11.254 -5.547 -9.148 1.00 1.00 C ATOM 1555 NH1 ARG A 100 10.297 -6.433 -9.110 1.00 1.00 N ATOM 1556 NH2 ARG A 100 11.608 -5.029 -10.292 1.00 1.00 N ATOM 0 H ARG A 100 10.830 -2.677 -3.607 1.00 1.00 H new ATOM 0 HA ARG A 100 8.401 -3.399 -5.071 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.840 -4.943 -4.100 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.450 -5.743 -4.808 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.677 -4.320 -6.863 1.00 1.00 H new ATOM 0 HG3 ARG A 100 11.065 -3.518 -6.156 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.270 -5.724 -6.031 1.00 1.00 H new ATOM 0 HD3 ARG A 100 10.884 -6.517 -6.754 1.00 1.00 H new ATOM 0 HE ARG A 100 12.772 -4.663 -8.118 1.00 1.00 H new ATOM 0 HH11 ARG A 100 10.042 -6.871 -8.225 1.00 1.00 H new ATOM 0 HH12 ARG A 100 9.804 -6.688 -9.966 1.00 1.00 H new ATOM 0 HH21 ARG A 100 12.381 -4.365 -10.334 1.00 1.00 H new ATOM 0 HH22 ARG A 100 11.111 -5.288 -11.145 1.00 1.00 H new ATOM 1570 N PHE A 101 7.066 -4.644 -3.354 1.00 1.00 N ATOM 1571 CA PHE A 101 6.160 -5.128 -2.308 1.00 1.00 C ATOM 1572 C PHE A 101 5.509 -6.441 -2.735 1.00 1.00 C ATOM 1573 O PHE A 101 5.335 -6.698 -3.925 1.00 1.00 O ATOM 1574 CB PHE A 101 5.068 -4.088 -2.053 1.00 1.00 C ATOM 1575 CG PHE A 101 5.654 -2.860 -1.394 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.986 -2.884 -0.035 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.855 -1.694 -2.144 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.521 -1.744 0.574 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.390 -0.554 -1.536 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.723 -0.579 -0.177 1.00 1.00 C ATOM 0 H PHE A 101 6.691 -4.722 -4.300 1.00 1.00 H new ATOM 0 HA PHE A 101 6.736 -5.293 -1.397 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.593 -3.812 -2.994 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.292 -4.514 -1.417 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.829 -3.782 0.544 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.597 -1.676 -3.192 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.778 -1.762 1.623 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.546 0.345 -2.114 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.136 0.301 0.293 1.00 1.00 H new ATOM 1590 N GLU A 102 5.148 -7.273 -1.757 1.00 1.00 N ATOM 1591 CA GLU A 102 4.513 -8.562 -2.041 1.00 1.00 C ATOM 1592 C GLU A 102 3.389 -8.845 -1.045 1.00 1.00 C ATOM 1593 O GLU A 102 3.490 -8.497 0.131 1.00 1.00 O ATOM 1594 CB GLU A 102 5.561 -9.670 -1.968 1.00 1.00 C ATOM 1595 CG GLU A 102 4.929 -11.016 -2.338 1.00 1.00 C ATOM 1596 CD GLU A 102 5.988 -12.113 -2.312 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.159 -11.775 -2.274 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.613 -13.274 -2.331 1.00 1.00 O ATOM 0 H GLU A 102 5.283 -7.079 -0.765 1.00 1.00 H new ATOM 0 HA GLU A 102 4.082 -8.527 -3.042 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.385 -9.447 -2.646 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.980 -9.720 -0.963 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.128 -11.256 -1.639 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.480 -10.956 -3.329 1.00 1.00 H new ATOM 1605 N ILE A 103 2.322 -9.490 -1.524 1.00 1.00 N ATOM 1606 CA ILE A 103 1.177 -9.831 -0.673 1.00 1.00 C ATOM 1607 C ILE A 103 0.867 -11.327 -0.811 1.00 1.00 C ATOM 1608 O ILE A 103 0.125 -11.719 -1.712 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.057 -9.020 -1.095 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.275 -7.507 -1.110 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.209 -9.296 -0.124 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.181 -6.893 0.299 1.00 1.00 C ATOM 0 H ILE A 103 2.226 -9.787 -2.495 1.00 1.00 H new ATOM 0 HA ILE A 103 1.424 -9.596 0.362 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.354 -9.320 -2.100 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.279 -7.358 -1.506 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.412 -6.990 -1.780 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.084 -8.720 -0.425 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.451 -10.359 -0.140 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.913 -9.006 0.884 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.420 -5.831 0.250 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.831 -7.019 0.684 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.887 -7.394 0.962 1.00 1.00 H new ATOM 1624 N PRO A 104 1.432 -12.180 0.026 1.00 1.00 N ATOM 1625 CA PRO A 104 1.205 -13.654 -0.078 1.00 1.00 C ATOM 1626 C PRO A 104 -0.220 -14.060 0.294 1.00 1.00 C ATOM 1627 O PRO A 104 -0.664 -15.160 -0.031 1.00 1.00 O ATOM 1628 CB PRO A 104 2.243 -14.260 0.882 1.00 1.00 C ATOM 1629 CG PRO A 104 2.529 -13.185 1.882 1.00 1.00 C ATOM 1630 CD PRO A 104 2.326 -11.848 1.159 1.00 1.00 C ATOM 0 HA PRO A 104 1.321 -14.010 -1.102 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.855 -15.156 1.367 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.148 -14.553 0.349 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.862 -13.267 2.740 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.547 -13.270 2.261 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.876 -11.104 1.816 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.273 -11.435 0.811 1.00 1.00 H new ATOM 1638 N ASP A 105 -0.933 -13.168 0.971 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.309 -13.448 1.372 1.00 1.00 C ATOM 1640 C ASP A 105 -3.259 -13.038 0.256 1.00 1.00 C ATOM 1641 O ASP A 105 -3.503 -11.856 0.042 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.636 -12.684 2.655 1.00 1.00 C ATOM 1643 CG ASP A 105 -1.920 -13.323 3.840 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.462 -14.445 3.697 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -1.834 -12.681 4.875 1.00 1.00 O ATOM 0 H ASP A 105 -0.586 -12.251 1.253 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.425 -14.516 1.559 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.332 -11.642 2.555 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.713 -12.687 2.825 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.768 -14.031 -0.465 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.665 -13.785 -1.590 1.00 1.00 C ATOM 1652 C GLU A 106 -5.935 -13.045 -1.169 1.00 1.00 C ATOM 1653 O GLU A 106 -6.258 -12.001 -1.728 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.044 -15.122 -2.234 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.892 -14.882 -3.485 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.216 -16.214 -4.154 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.575 -17.195 -3.813 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -7.098 -16.235 -4.995 1.00 1.00 O ATOM 0 H GLU A 106 -3.574 -15.017 -0.290 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.137 -13.150 -2.302 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.143 -15.676 -2.497 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.598 -15.734 -1.522 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.814 -14.366 -3.217 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.356 -14.236 -4.180 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.656 -13.588 -0.197 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.893 -12.957 0.251 1.00 1.00 C ATOM 1667 C GLU A 107 -7.650 -11.490 0.589 1.00 1.00 C ATOM 1668 O GLU A 107 -8.429 -10.620 0.204 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.465 -13.702 1.464 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.522 -13.571 2.662 1.00 1.00 C ATOM 1671 CD GLU A 107 -7.992 -14.485 3.791 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -9.191 -14.681 3.907 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.146 -14.974 4.521 1.00 1.00 O ATOM 0 H GLU A 107 -6.412 -14.450 0.291 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.621 -13.007 -0.559 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.445 -13.298 1.718 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.608 -14.754 1.219 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.506 -13.834 2.368 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.497 -12.537 3.005 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.561 -11.220 1.294 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.221 -9.852 1.657 1.00 1.00 C ATOM 1682 C HIS A 108 -5.811 -9.055 0.419 1.00 1.00 C ATOM 1683 O HIS A 108 -6.100 -7.862 0.314 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.069 -9.849 2.662 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.515 -10.431 3.980 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.610 -10.936 4.904 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.755 -10.593 4.548 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.314 -11.371 5.966 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.624 -11.187 5.799 1.00 1.00 N ATOM 0 H HIS A 108 -5.902 -11.925 1.624 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.100 -9.388 2.105 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.233 -10.426 2.267 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.711 -8.830 2.810 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.690 -10.303 4.092 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -4.872 -11.815 6.846 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -7.371 -11.430 6.450 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.126 -9.718 -0.510 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.669 -9.064 -1.730 1.00 1.00 C ATOM 1699 C CYS A 109 -5.848 -8.552 -2.550 1.00 1.00 C ATOM 1700 O CYS A 109 -5.774 -7.489 -3.156 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.835 -10.044 -2.572 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.711 -9.127 -3.655 1.00 1.00 S ATOM 0 H CYS A 109 -4.877 -10.705 -0.440 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.051 -8.212 -1.448 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.265 -10.705 -1.918 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.493 -10.676 -3.168 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.930 -9.316 -2.582 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.091 -8.909 -3.358 1.00 1.00 C ATOM 1709 C LEU A 110 -8.680 -7.607 -2.831 1.00 1.00 C ATOM 1710 O LEU A 110 -8.994 -6.704 -3.606 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.174 -9.994 -3.302 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.670 -11.293 -3.945 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.748 -12.380 -3.797 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.365 -11.055 -5.436 1.00 1.00 C ATOM 0 H LEU A 110 -7.028 -10.204 -2.090 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.760 -8.761 -4.386 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.457 -10.180 -2.266 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.069 -9.649 -3.819 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.756 -11.617 -3.447 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.396 -13.306 -4.252 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.951 -12.550 -2.740 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.662 -12.056 -4.294 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.008 -11.981 -5.887 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.272 -10.730 -5.946 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.599 -10.285 -5.532 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.838 -7.510 -1.517 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.405 -6.299 -0.940 1.00 1.00 C ATOM 1728 C LYS A 111 -8.459 -5.118 -1.125 1.00 1.00 C ATOM 1729 O LYS A 111 -8.879 -4.010 -1.465 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.681 -6.491 0.553 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.805 -7.507 0.737 1.00 1.00 C ATOM 1732 CD LYS A 111 -11.069 -7.723 2.229 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.179 -8.760 2.396 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.434 -8.991 3.846 1.00 1.00 N ATOM 0 H LYS A 111 -8.589 -8.236 -0.845 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.342 -6.093 -1.457 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.779 -6.835 1.059 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.958 -5.540 1.008 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.711 -7.153 0.245 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.534 -8.452 0.266 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -10.160 -8.062 2.726 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.359 -6.783 2.699 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -13.090 -8.414 1.907 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.893 -9.695 1.913 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -13.190 -9.697 3.957 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.565 -9.339 4.300 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.725 -8.099 4.294 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.182 -5.375 -0.879 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.152 -4.352 -0.997 1.00 1.00 C ATOM 1750 C PHE A 112 -6.061 -3.827 -2.426 1.00 1.00 C ATOM 1751 O PHE A 112 -6.061 -2.618 -2.654 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.805 -4.960 -0.579 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.667 -4.023 -0.930 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.548 -2.793 -0.277 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.731 -4.392 -1.908 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.495 -1.928 -0.599 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.680 -3.528 -2.229 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.561 -2.296 -1.577 1.00 1.00 C ATOM 0 H PHE A 112 -6.833 -6.290 -0.594 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.407 -3.514 -0.348 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.805 -5.156 0.493 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.662 -5.918 -1.078 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.268 -2.510 0.476 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.822 -5.343 -2.412 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.403 -0.978 -0.094 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -0.959 -3.812 -2.981 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.750 -1.629 -1.827 1.00 1.00 H new ATOM 1768 N LEU A 113 -5.965 -4.743 -3.382 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.854 -4.354 -4.779 1.00 1.00 C ATOM 1770 C LEU A 113 -7.143 -3.712 -5.280 1.00 1.00 C ATOM 1771 O LEU A 113 -7.108 -2.726 -6.017 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.500 -5.580 -5.619 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.101 -6.093 -5.227 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -3.815 -7.390 -5.987 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.025 -5.045 -5.569 1.00 1.00 C ATOM 0 H LEU A 113 -5.962 -5.750 -3.217 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.063 -3.610 -4.873 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.241 -6.364 -5.466 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.520 -5.325 -6.679 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.076 -6.276 -4.153 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.826 -7.760 -5.716 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.566 -8.137 -5.728 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -3.849 -7.198 -7.059 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.044 -5.425 -5.285 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.040 -4.844 -6.640 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.229 -4.123 -5.024 1.00 1.00 H new ATOM 1787 N SER A 114 -8.275 -4.272 -4.882 1.00 1.00 N ATOM 1788 CA SER A 114 -9.568 -3.742 -5.303 1.00 1.00 C ATOM 1789 C SER A 114 -9.767 -2.312 -4.800 1.00 1.00 C ATOM 1790 O SER A 114 -10.219 -1.443 -5.543 1.00 1.00 O ATOM 1791 CB SER A 114 -10.690 -4.633 -4.770 1.00 1.00 C ATOM 1792 OG SER A 114 -11.929 -3.943 -4.875 1.00 1.00 O ATOM 0 H SER A 114 -8.328 -5.088 -4.272 1.00 1.00 H new ATOM 0 HA SER A 114 -9.593 -3.730 -6.393 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.730 -5.564 -5.335 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.496 -4.899 -3.731 1.00 1.00 H new ATOM 0 HG SER A 114 -12.650 -4.513 -4.535 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.440 -2.081 -3.532 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.603 -0.756 -2.943 1.00 1.00 C ATOM 1800 C ALA A 115 -8.616 0.251 -3.549 1.00 1.00 C ATOM 1801 O ALA A 115 -9.000 1.360 -3.920 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.414 -0.847 -1.421 1.00 1.00 C ATOM 0 H ALA A 115 -9.064 -2.786 -2.898 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.609 -0.399 -3.163 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.535 0.142 -0.979 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.157 -1.525 -1.002 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.415 -1.223 -1.200 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.349 -0.143 -3.644 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.321 0.736 -4.206 1.00 1.00 C ATOM 1810 C VAL A 116 -6.611 1.048 -5.672 1.00 1.00 C ATOM 1811 O VAL A 116 -6.519 2.200 -6.098 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.945 0.071 -4.081 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.899 0.884 -4.851 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.544 0.005 -2.605 1.00 1.00 C ATOM 0 H VAL A 116 -7.009 -1.056 -3.343 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.327 1.672 -3.647 1.00 1.00 H new ATOM 0 HB VAL A 116 -4.997 -0.935 -4.496 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.924 0.405 -4.757 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.179 0.934 -5.903 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.848 1.893 -4.441 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.566 -0.468 -2.514 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.499 1.014 -2.195 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.281 -0.578 -2.053 1.00 1.00 H new ATOM 1824 N LEU A 117 -6.956 0.024 -6.440 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.249 0.217 -7.855 1.00 1.00 C ATOM 1826 C LEU A 117 -8.430 1.157 -8.024 1.00 1.00 C ATOM 1827 O LEU A 117 -8.402 2.072 -8.848 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.580 -1.134 -8.496 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.017 -0.945 -9.954 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -6.935 -0.184 -10.734 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.236 -2.321 -10.580 1.00 1.00 C ATOM 0 H LEU A 117 -7.040 -0.939 -6.113 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.376 0.653 -8.341 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.708 -1.787 -8.453 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.374 -1.625 -7.933 1.00 1.00 H new ATOM 0 HG LEU A 117 -8.941 -0.368 -9.990 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.255 -0.055 -11.768 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.778 0.794 -10.278 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.004 -0.750 -10.710 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -8.547 -2.203 -11.618 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.307 -2.890 -10.542 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.010 -2.853 -10.027 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.467 0.914 -7.243 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.666 1.731 -7.306 1.00 1.00 C ATOM 1845 C ALA A 118 -10.349 3.171 -6.922 1.00 1.00 C ATOM 1846 O ALA A 118 -10.891 4.110 -7.503 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.732 1.166 -6.365 1.00 1.00 C ATOM 0 H ALA A 118 -9.504 0.159 -6.558 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.044 1.716 -8.328 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.628 1.784 -6.418 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -11.976 0.146 -6.662 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.352 1.165 -5.343 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.465 3.338 -5.947 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.084 4.673 -5.504 1.00 1.00 C ATOM 1855 C ALA A 119 -8.463 5.460 -6.655 1.00 1.00 C ATOM 1856 O ALA A 119 -8.841 6.604 -6.906 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.085 4.577 -4.348 1.00 1.00 C ATOM 0 H ALA A 119 -9.003 2.575 -5.452 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.980 5.193 -5.164 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.806 5.580 -4.024 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.542 4.041 -3.516 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.195 4.042 -4.680 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.510 4.844 -7.353 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.852 5.511 -8.473 1.00 1.00 C ATOM 1865 C GLN A 120 -7.815 5.709 -9.643 1.00 1.00 C ATOM 1866 O GLN A 120 -7.774 6.731 -10.325 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.634 4.709 -8.938 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.523 4.812 -7.889 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.310 4.004 -8.340 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.457 2.885 -8.829 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.110 4.509 -8.208 1.00 1.00 N ATOM 0 H GLN A 120 -7.180 3.897 -7.166 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.524 6.491 -8.125 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.909 3.665 -9.090 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.280 5.088 -9.897 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.243 5.855 -7.744 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -4.882 4.442 -6.929 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -1.989 5.437 -7.802 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.296 3.975 -8.511 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.678 4.729 -9.873 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.644 4.812 -10.957 1.00 1.00 C ATOM 1882 C LYS A 121 -10.643 5.938 -10.702 1.00 1.00 C ATOM 1883 O LYS A 121 -10.997 6.691 -11.609 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.366 3.472 -11.050 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.368 3.469 -12.210 1.00 1.00 C ATOM 1886 CD LYS A 121 -12.184 2.174 -12.163 1.00 1.00 C ATOM 1887 CE LYS A 121 -11.346 0.980 -12.647 1.00 1.00 C ATOM 1888 NZ LYS A 121 -12.242 -0.186 -12.912 1.00 1.00 N ATOM 0 H LYS A 121 -8.728 3.870 -9.325 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.133 5.030 -11.895 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.639 2.672 -11.190 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.887 3.269 -10.114 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -12.029 4.333 -12.138 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.842 3.548 -13.162 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -12.528 1.993 -11.145 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -13.072 2.276 -12.786 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -10.803 1.248 -13.553 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -10.602 0.716 -11.895 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -11.674 -0.993 -13.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -12.741 -0.446 -12.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -12.936 0.069 -13.644 1.00 1.00 H new ATOM 1902 N ALA A 122 -11.106 6.031 -9.461 1.00 1.00 N ATOM 1903 CA ALA A 122 -12.079 7.051 -9.084 1.00 1.00 C ATOM 1904 C ALA A 122 -11.541 8.461 -9.321 1.00 1.00 C ATOM 1905 O ALA A 122 -12.211 9.292 -9.935 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.448 6.889 -7.607 1.00 1.00 C ATOM 0 H ALA A 122 -10.824 5.414 -8.699 1.00 1.00 H new ATOM 0 HA ALA A 122 -12.962 6.917 -9.709 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -13.175 7.652 -7.328 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.879 5.901 -7.446 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.553 6.999 -6.994 1.00 1.00 H new ATOM 1912 N GLN A 123 -10.334 8.733 -8.831 1.00 1.00 N ATOM 1913 CA GLN A 123 -9.741 10.059 -9.002 1.00 1.00 C ATOM 1914 C GLN A 123 -9.310 10.275 -10.448 1.00 1.00 C ATOM 1915 O GLN A 123 -9.461 11.368 -10.994 1.00 1.00 O ATOM 1916 CB GLN A 123 -8.544 10.228 -8.061 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.399 9.325 -8.512 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.301 9.301 -7.454 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.226 9.867 -7.657 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.509 8.676 -6.327 1.00 1.00 N ATOM 0 H GLN A 123 -9.755 8.066 -8.321 1.00 1.00 H new ATOM 0 HA GLN A 123 -10.494 10.807 -8.753 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -8.218 11.268 -8.056 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -8.835 9.980 -7.040 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -7.769 8.315 -8.686 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -6.995 9.683 -9.459 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.400 8.208 -6.160 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.781 8.656 -5.613 1.00 1.00 H new ATOM 1929 N SER A 124 -8.771 9.223 -11.061 1.00 1.00 N ATOM 1930 CA SER A 124 -8.311 9.297 -12.447 1.00 1.00 C ATOM 1931 C SER A 124 -8.536 7.964 -13.154 1.00 1.00 C ATOM 1932 O SER A 124 -9.661 7.708 -13.551 1.00 1.00 O ATOM 1933 CB SER A 124 -6.822 9.642 -12.478 1.00 1.00 C ATOM 1934 OG SER A 124 -6.252 9.161 -13.689 1.00 1.00 O ATOM 1935 OXT SER A 124 -7.580 7.217 -13.288 1.00 1.00 O ATOM 0 H SER A 124 -8.642 8.312 -10.622 1.00 1.00 H new ATOM 0 HA SER A 124 -8.879 10.072 -12.962 1.00 1.00 H new ATOM 0 HB2 SER A 124 -6.685 10.721 -12.402 1.00 1.00 H new ATOM 0 HB3 SER A 124 -6.316 9.196 -11.622 1.00 1.00 H new ATOM 0 HG SER A 124 -6.292 8.182 -13.703 1.00 1.00 H new TER 1941 SER A 124