USER MOD reduce.3.24.130724 H: found=0, std=0, add=1175, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1175 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 102 HIS : no HE2:sc= -4.25! C(o=-4.5!,f=-5.7!) USER MOD Set 1.2: A 126 MET CE :methyl -109:sc= -0.293 (180deg=-2.55!) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0.774 USER MOD Set 2.2: A 86 THR OG1 : rot -102:sc= 1.24 USER MOD Set 3.1: A 5 ASN : amide:sc= -3.7! C(o=-3.7!,f=-7.1!) USER MOD Set 3.2: A 109 ASN : amide:sc= 0 K(o=-3.7,f=-4.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= 0.0532 (180deg=-0.00906) USER MOD Single : A 3 GLN : amide:sc= -0.0847 K(o=-0.085,f=-0.78) USER MOD Single : A 4 ASN : amide:sc= 0.108 X(o=0.11,f=-0.13) USER MOD Single : A 7 ASN : amide:sc= -0.0264 X(o=-0.026,f=-0.024) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 140:sc= 1.2 (180deg=-0.662) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 136:sc= 1.24 (180deg=0.95) USER MOD Single : A 28 THR OG1 : rot 68:sc= 0.979 USER MOD Single : A 30 SER OG : rot -152:sc= -2.92! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0954 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 161:sc= -0.133 (180deg=-0.688) USER MOD Single : A 42 ASN : amide:sc= -0.0639 K(o=-0.064,f=-0.65) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -10! C(o=-10!,f=-20!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 55 GLN : amide:sc= -1.45! K(o=-1.5!,f=-0.057) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -14:sc= 1.25 USER MOD Single : A 63 CYS SG : rot 111:sc= -2.86! USER MOD Single : A 64 LYS NZ :NH3+ -127:sc= 0.459 (180deg=0.261) USER MOD Single : A 69 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.59) USER MOD Single : A 72 THR OG1 : rot -70:sc= -0.658 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 88 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.22) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= -0.0805 (180deg=-0.0805) USER MOD Single : A 96 THR OG1 : rot -74:sc= -1.3! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -1.31 USER MOD Single : A 106 LYS NZ :NH3+ -160:sc= -0.0727 (180deg=-0.354) USER MOD Single : A 110 GLN : amide:sc= -0.583 K(o=-0.58,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -159:sc= 1.16 (180deg=1.12) USER MOD Single : A 116 ASN : amide:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 118 LYS NZ :NH3+ 166:sc= -0.0152 (180deg=-0.199) USER MOD Single : A 119 SER OG : rot 146:sc= -0.897 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.085) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 135 ASN : amide:sc= -2.37 K(o=-2.4,f=-7.5!) USER MOD Single : A 140 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0107) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 148 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 149 HIS : no HD1:sc= -3.95! K(o=-4!,f=-2.5) USER MOD Single : A 150 HIS : no HD1:sc= 0.7 K(o=0.7,f=-4.9!) USER MOD Single : A 151 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 152 HIS : no HD1:sc= -0.94 X(o=-0.94,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.394 -15.231 -18.217 1.00 0.00 N ATOM 2 CA MET A 1 21.563 -13.790 -17.930 1.00 0.00 C ATOM 3 C MET A 1 21.487 -13.543 -16.432 1.00 0.00 C ATOM 4 O MET A 1 21.891 -14.402 -15.650 1.00 0.00 O ATOM 5 CB MET A 1 20.499 -12.969 -18.662 1.00 0.00 C ATOM 6 CG MET A 1 20.693 -12.929 -20.168 1.00 0.00 C ATOM 7 SD MET A 1 19.500 -11.863 -20.998 1.00 0.00 S ATOM 8 CE MET A 1 20.058 -12.010 -22.696 1.00 0.00 C ATOM 0 H1 MET A 1 22.049 -15.513 -18.974 1.00 0.00 H new ATOM 0 H2 MET A 1 21.598 -15.782 -17.359 1.00 0.00 H new ATOM 0 H3 MET A 1 20.416 -15.412 -18.520 1.00 0.00 H new ATOM 0 HA MET A 1 22.544 -13.476 -18.287 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.516 -13.384 -18.441 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.508 -11.950 -18.275 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.701 -12.580 -20.391 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.610 -13.940 -20.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.421 -11.406 -23.342 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.087 -11.660 -22.772 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.006 -13.053 -23.007 1.00 0.00 H new ATOM 20 N ALA A 2 20.973 -12.371 -16.043 1.00 0.00 N ATOM 21 CA ALA A 2 20.932 -11.952 -14.642 1.00 0.00 C ATOM 22 C ALA A 2 22.346 -11.730 -14.125 1.00 0.00 C ATOM 23 O ALA A 2 22.898 -12.552 -13.394 1.00 0.00 O ATOM 24 CB ALA A 2 20.181 -12.958 -13.774 1.00 0.00 C ATOM 0 H ALA A 2 20.576 -11.690 -16.690 1.00 0.00 H new ATOM 0 HA ALA A 2 20.385 -11.011 -14.584 1.00 0.00 H new ATOM 0 HB1 ALA A 2 20.172 -12.612 -12.741 1.00 0.00 H new ATOM 0 HB2 ALA A 2 19.156 -13.055 -14.133 1.00 0.00 H new ATOM 0 HB3 ALA A 2 20.677 -13.927 -13.828 1.00 0.00 H new ATOM 30 N GLN A 3 22.929 -10.609 -14.525 1.00 0.00 N ATOM 31 CA GLN A 3 24.295 -10.282 -14.155 1.00 0.00 C ATOM 32 C GLN A 3 24.337 -9.734 -12.736 1.00 0.00 C ATOM 33 O GLN A 3 25.140 -10.166 -11.910 1.00 0.00 O ATOM 34 CB GLN A 3 24.877 -9.263 -15.141 1.00 0.00 C ATOM 35 CG GLN A 3 24.843 -9.736 -16.589 1.00 0.00 C ATOM 36 CD GLN A 3 25.604 -11.030 -16.794 1.00 0.00 C ATOM 37 OE1 GLN A 3 26.578 -11.306 -16.099 1.00 0.00 O ATOM 38 NE2 GLN A 3 25.165 -11.835 -17.749 1.00 0.00 N ATOM 0 H GLN A 3 22.473 -9.908 -15.109 1.00 0.00 H new ATOM 0 HA GLN A 3 24.899 -11.188 -14.194 1.00 0.00 H new ATOM 0 HB2 GLN A 3 24.321 -8.329 -15.058 1.00 0.00 H new ATOM 0 HB3 GLN A 3 25.908 -9.046 -14.861 1.00 0.00 H new ATOM 0 HG2 GLN A 3 23.807 -9.874 -16.899 1.00 0.00 H new ATOM 0 HG3 GLN A 3 25.267 -8.963 -17.230 1.00 0.00 H new ATOM 0 HE21 GLN A 3 24.352 -11.570 -18.305 1.00 0.00 H new ATOM 0 HE22 GLN A 3 25.640 -12.720 -17.928 1.00 0.00 H new ATOM 47 N ASN A 4 23.448 -8.795 -12.456 1.00 0.00 N ATOM 48 CA ASN A 4 23.345 -8.217 -11.128 1.00 0.00 C ATOM 49 C ASN A 4 21.924 -8.357 -10.604 1.00 0.00 C ATOM 50 O ASN A 4 20.961 -8.000 -11.287 1.00 0.00 O ATOM 51 CB ASN A 4 23.768 -6.743 -11.149 1.00 0.00 C ATOM 52 CG ASN A 4 23.551 -6.050 -9.814 1.00 0.00 C ATOM 53 OD1 ASN A 4 24.378 -6.148 -8.909 1.00 0.00 O ATOM 54 ND2 ASN A 4 22.454 -5.318 -9.690 1.00 0.00 N ATOM 0 H ASN A 4 22.786 -8.417 -13.133 1.00 0.00 H new ATOM 0 HA ASN A 4 24.017 -8.756 -10.460 1.00 0.00 H new ATOM 0 HB2 ASN A 4 24.821 -6.676 -11.421 1.00 0.00 H new ATOM 0 HB3 ASN A 4 23.205 -6.219 -11.921 1.00 0.00 H new ATOM 0 HD21 ASN A 4 22.274 -4.813 -8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 4 21.790 -5.260 -10.462 1.00 0.00 H new ATOM 61 N ASN A 5 21.792 -8.898 -9.403 1.00 0.00 N ATOM 62 CA ASN A 5 20.492 -9.049 -8.776 1.00 0.00 C ATOM 63 C ASN A 5 20.065 -7.729 -8.148 1.00 0.00 C ATOM 64 O ASN A 5 20.806 -7.133 -7.365 1.00 0.00 O ATOM 65 CB ASN A 5 20.507 -10.196 -7.747 1.00 0.00 C ATOM 66 CG ASN A 5 21.537 -10.039 -6.637 1.00 0.00 C ATOM 67 OD1 ASN A 5 22.548 -9.352 -6.783 1.00 0.00 O ATOM 68 ND2 ASN A 5 21.306 -10.725 -5.527 1.00 0.00 N ATOM 0 H ASN A 5 22.573 -9.240 -8.843 1.00 0.00 H new ATOM 0 HA ASN A 5 19.758 -9.315 -9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 5 19.517 -10.276 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 5 20.696 -11.133 -8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 5 21.977 -10.694 -4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 5 20.457 -11.284 -5.440 1.00 0.00 H new ATOM 75 N GLU A 6 18.880 -7.257 -8.530 1.00 0.00 N ATOM 76 CA GLU A 6 18.392 -5.956 -8.119 1.00 0.00 C ATOM 77 C GLU A 6 16.908 -5.833 -8.459 1.00 0.00 C ATOM 78 O GLU A 6 16.205 -6.838 -8.587 1.00 0.00 O ATOM 79 CB GLU A 6 19.160 -4.871 -8.878 1.00 0.00 C ATOM 80 CG GLU A 6 18.870 -4.909 -10.369 1.00 0.00 C ATOM 81 CD GLU A 6 19.616 -3.862 -11.165 1.00 0.00 C ATOM 82 OE1 GLU A 6 20.751 -4.142 -11.596 1.00 0.00 O ATOM 83 OE2 GLU A 6 19.056 -2.768 -11.393 1.00 0.00 O ATOM 0 H GLU A 6 18.237 -7.770 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 6 18.535 -5.840 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 6 18.892 -3.892 -8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 6 20.230 -5.000 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.127 -5.896 -10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.799 -4.775 -10.525 1.00 0.00 H new ATOM 90 N ASN A 7 16.470 -4.579 -8.565 1.00 0.00 N ATOM 91 CA ASN A 7 15.188 -4.180 -9.157 1.00 0.00 C ATOM 92 C ASN A 7 14.077 -4.199 -8.140 1.00 0.00 C ATOM 93 O ASN A 7 13.024 -3.588 -8.338 1.00 0.00 O ATOM 94 CB ASN A 7 14.848 -5.092 -10.322 1.00 0.00 C ATOM 95 CG ASN A 7 13.618 -4.655 -11.102 1.00 0.00 C ATOM 96 OD1 ASN A 7 13.711 -3.850 -12.028 1.00 0.00 O ATOM 97 ND2 ASN A 7 12.460 -5.191 -10.743 1.00 0.00 N ATOM 0 H ASN A 7 17.014 -3.784 -8.231 1.00 0.00 H new ATOM 0 HA ASN A 7 15.290 -3.156 -9.517 1.00 0.00 H new ATOM 0 HB2 ASN A 7 15.701 -5.134 -11.000 1.00 0.00 H new ATOM 0 HB3 ASN A 7 14.689 -6.103 -9.946 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.606 -4.939 -11.240 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.423 -5.855 -9.970 1.00 0.00 H new ATOM 104 N ALA A 8 14.344 -4.880 -7.044 1.00 0.00 N ATOM 105 CA ALA A 8 13.324 -5.194 -6.070 1.00 0.00 C ATOM 106 C ALA A 8 12.257 -6.035 -6.753 1.00 0.00 C ATOM 107 O ALA A 8 12.547 -6.724 -7.737 1.00 0.00 O ATOM 108 CB ALA A 8 12.736 -3.930 -5.450 1.00 0.00 C ATOM 0 H ALA A 8 15.272 -5.230 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 8 13.761 -5.759 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.972 -4.203 -4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.526 -3.367 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 8 12.289 -3.315 -6.231 1.00 0.00 H new ATOM 114 N LEU A 9 11.050 -6.007 -6.242 1.00 0.00 N ATOM 115 CA LEU A 9 9.966 -6.748 -6.855 1.00 0.00 C ATOM 116 C LEU A 9 9.643 -6.161 -8.229 1.00 0.00 C ATOM 117 O LEU A 9 9.625 -4.941 -8.402 1.00 0.00 O ATOM 118 CB LEU A 9 8.733 -6.781 -5.913 1.00 0.00 C ATOM 119 CG LEU A 9 7.844 -5.521 -5.775 1.00 0.00 C ATOM 120 CD1 LEU A 9 8.647 -4.231 -5.686 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.827 -5.453 -6.897 1.00 0.00 C ATOM 0 H LEU A 9 10.791 -5.482 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 9 10.271 -7.783 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.092 -7.598 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.091 -7.039 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 9 7.314 -5.618 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.967 -3.385 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.302 -4.270 -4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.248 -4.114 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.214 -4.559 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.345 -5.414 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.190 -6.337 -6.865 1.00 0.00 H new ATOM 133 N PRO A 10 9.463 -7.020 -9.246 1.00 0.00 N ATOM 134 CA PRO A 10 9.001 -6.576 -10.560 1.00 0.00 C ATOM 135 C PRO A 10 7.682 -5.849 -10.403 1.00 0.00 C ATOM 136 O PRO A 10 6.765 -6.386 -9.780 1.00 0.00 O ATOM 137 CB PRO A 10 8.819 -7.874 -11.347 1.00 0.00 C ATOM 138 CG PRO A 10 9.671 -8.876 -10.644 1.00 0.00 C ATOM 139 CD PRO A 10 9.693 -8.472 -9.196 1.00 0.00 C ATOM 0 HA PRO A 10 9.688 -5.891 -11.057 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.774 -8.184 -11.360 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.128 -7.752 -12.385 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.265 -9.881 -10.761 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.679 -8.889 -11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.918 -8.983 -8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.647 -8.712 -8.726 1.00 0.00 H new ATOM 147 N ASP A 11 7.577 -4.664 -10.998 1.00 0.00 N ATOM 148 CA ASP A 11 6.526 -3.716 -10.630 1.00 0.00 C ATOM 149 C ASP A 11 5.155 -4.368 -10.679 1.00 0.00 C ATOM 150 O ASP A 11 4.722 -4.897 -11.703 1.00 0.00 O ATOM 151 CB ASP A 11 6.564 -2.457 -11.507 1.00 0.00 C ATOM 152 CG ASP A 11 6.352 -2.725 -12.985 1.00 0.00 C ATOM 153 OD1 ASP A 11 7.321 -3.120 -13.666 1.00 0.00 O ATOM 154 OD2 ASP A 11 5.223 -2.510 -13.479 1.00 0.00 O ATOM 0 H ASP A 11 8.203 -4.337 -11.734 1.00 0.00 H new ATOM 0 HA ASP A 11 6.717 -3.407 -9.602 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.798 -1.763 -11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.526 -1.963 -11.373 1.00 0.00 H new ATOM 159 N ILE A 12 4.497 -4.336 -9.534 1.00 0.00 N ATOM 160 CA ILE A 12 3.286 -5.093 -9.305 1.00 0.00 C ATOM 161 C ILE A 12 2.080 -4.179 -9.298 1.00 0.00 C ATOM 162 O ILE A 12 2.051 -3.174 -8.596 1.00 0.00 O ATOM 163 CB ILE A 12 3.397 -5.866 -7.956 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.879 -7.296 -8.202 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.092 -5.872 -7.155 1.00 0.00 C ATOM 166 CD1 ILE A 12 2.895 -8.150 -8.976 1.00 0.00 C ATOM 0 H ILE A 12 4.793 -3.779 -8.733 1.00 0.00 H new ATOM 0 HA ILE A 12 3.159 -5.811 -10.115 1.00 0.00 H new ATOM 0 HB ILE A 12 4.129 -5.332 -7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.823 -7.262 -8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.081 -7.771 -7.242 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.237 -6.426 -6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.802 -4.847 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.307 -6.347 -7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.308 -9.150 -9.110 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.958 -8.216 -8.424 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.711 -7.699 -9.951 1.00 0.00 H new ATOM 178 N THR A 13 1.100 -4.511 -10.104 1.00 0.00 N ATOM 179 CA THR A 13 -0.151 -3.822 -10.068 1.00 0.00 C ATOM 180 C THR A 13 -1.251 -4.780 -9.679 1.00 0.00 C ATOM 181 O THR A 13 -1.321 -5.907 -10.174 1.00 0.00 O ATOM 182 CB THR A 13 -0.478 -3.173 -11.415 1.00 0.00 C ATOM 183 OG1 THR A 13 0.005 -3.984 -12.497 1.00 0.00 O ATOM 184 CG2 THR A 13 0.105 -1.771 -11.499 1.00 0.00 C ATOM 0 H THR A 13 1.154 -5.260 -10.794 1.00 0.00 H new ATOM 0 HA THR A 13 -0.075 -3.028 -9.326 1.00 0.00 H new ATOM 0 HB THR A 13 -1.562 -3.095 -11.498 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.214 -3.555 -13.350 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.141 -1.332 -12.466 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.313 -1.155 -10.703 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.188 -1.820 -11.388 1.00 0.00 H new ATOM 192 N LYS A 14 -2.086 -4.345 -8.771 1.00 0.00 N ATOM 193 CA LYS A 14 -3.212 -5.133 -8.358 1.00 0.00 C ATOM 194 C LYS A 14 -4.457 -4.300 -8.526 1.00 0.00 C ATOM 195 O LYS A 14 -4.516 -3.176 -8.054 1.00 0.00 O ATOM 196 CB LYS A 14 -3.035 -5.584 -6.904 1.00 0.00 C ATOM 197 CG LYS A 14 -3.899 -6.780 -6.530 1.00 0.00 C ATOM 198 CD LYS A 14 -3.982 -7.787 -7.676 1.00 0.00 C ATOM 199 CE LYS A 14 -2.627 -8.368 -8.052 1.00 0.00 C ATOM 200 NZ LYS A 14 -2.296 -9.582 -7.263 1.00 0.00 N ATOM 0 H LYS A 14 -2.004 -3.443 -8.302 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.295 -6.032 -8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.988 -5.835 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.274 -4.752 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.487 -7.266 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.901 -6.440 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.653 -8.598 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.419 -7.302 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.622 -8.615 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.855 -7.614 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.840 -10.284 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.648 -9.328 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.168 -9.986 -6.865 1.00 0.00 H new ATOM 214 N SER A 15 -5.456 -4.845 -9.176 1.00 0.00 N ATOM 215 CA SER A 15 -6.611 -4.065 -9.509 1.00 0.00 C ATOM 216 C SER A 15 -7.857 -4.670 -8.914 1.00 0.00 C ATOM 217 O SER A 15 -8.055 -5.887 -8.910 1.00 0.00 O ATOM 218 CB SER A 15 -6.765 -3.982 -11.016 1.00 0.00 C ATOM 219 OG SER A 15 -5.504 -3.846 -11.657 1.00 0.00 O ATOM 0 H SER A 15 -5.489 -5.818 -9.481 1.00 0.00 H new ATOM 0 HA SER A 15 -6.474 -3.065 -9.098 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.267 -4.878 -11.382 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.399 -3.134 -11.273 1.00 0.00 H new ATOM 0 HG SER A 15 -5.634 -3.797 -12.627 1.00 0.00 H new ATOM 225 N ILE A 16 -8.665 -3.790 -8.396 1.00 0.00 N ATOM 226 CA ILE A 16 -9.911 -4.126 -7.777 1.00 0.00 C ATOM 227 C ILE A 16 -10.862 -2.960 -7.911 1.00 0.00 C ATOM 228 O ILE A 16 -10.443 -1.804 -7.933 1.00 0.00 O ATOM 229 CB ILE A 16 -9.751 -4.482 -6.288 1.00 0.00 C ATOM 230 CG1 ILE A 16 -11.126 -4.449 -5.609 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.750 -3.560 -5.601 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.301 -3.422 -4.526 1.00 0.00 C ATOM 0 H ILE A 16 -8.467 -2.789 -8.394 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.303 -5.008 -8.284 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.347 -5.491 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.883 -4.274 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.323 -5.433 -5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.660 -3.838 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.778 -3.653 -6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.095 -2.529 -5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.310 -3.491 -4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.576 -3.603 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.144 -2.426 -4.940 1.00 0.00 H new ATOM 244 N THR A 17 -12.127 -3.250 -8.005 1.00 0.00 N ATOM 245 CA THR A 17 -13.100 -2.205 -7.991 1.00 0.00 C ATOM 246 C THR A 17 -13.631 -2.040 -6.576 1.00 0.00 C ATOM 247 O THR A 17 -14.239 -2.955 -6.013 1.00 0.00 O ATOM 248 CB THR A 17 -14.250 -2.532 -8.943 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.728 -2.924 -10.221 1.00 0.00 O ATOM 250 CG2 THR A 17 -15.149 -1.329 -9.113 1.00 0.00 C ATOM 0 H THR A 17 -12.504 -4.194 -8.091 1.00 0.00 H new ATOM 0 HA THR A 17 -12.634 -1.277 -8.321 1.00 0.00 H new ATOM 0 HB THR A 17 -14.830 -3.352 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.469 -3.134 -10.827 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.964 -1.577 -9.794 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.560 -1.042 -8.145 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.573 -0.499 -9.523 1.00 0.00 H new ATOM 258 N LEU A 18 -13.420 -0.861 -6.015 1.00 0.00 N ATOM 259 CA LEU A 18 -13.875 -0.560 -4.692 1.00 0.00 C ATOM 260 C LEU A 18 -15.227 0.025 -4.849 1.00 0.00 C ATOM 261 O LEU A 18 -15.354 1.101 -5.401 1.00 0.00 O ATOM 262 CB LEU A 18 -12.983 0.486 -4.016 1.00 0.00 C ATOM 263 CG LEU A 18 -11.503 0.163 -3.925 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.720 1.418 -3.611 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.240 -0.875 -2.852 1.00 0.00 C ATOM 0 H LEU A 18 -12.928 -0.094 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.862 -1.462 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.093 1.427 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.358 0.651 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.184 -0.239 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.659 1.178 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.879 2.153 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.057 1.829 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.172 -1.089 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.575 -0.494 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.784 -1.789 -3.089 1.00 0.00 H new ATOM 277 N GLU A 19 -16.254 -0.655 -4.452 1.00 0.00 N ATOM 278 CA GLU A 19 -17.520 -0.010 -4.526 1.00 0.00 C ATOM 279 C GLU A 19 -17.575 0.995 -3.383 1.00 0.00 C ATOM 280 O GLU A 19 -18.031 0.700 -2.282 1.00 0.00 O ATOM 281 CB GLU A 19 -18.590 -1.086 -4.414 1.00 0.00 C ATOM 282 CG GLU A 19 -18.168 -2.230 -3.502 1.00 0.00 C ATOM 283 CD GLU A 19 -18.929 -3.509 -3.759 1.00 0.00 C ATOM 284 OE1 GLU A 19 -20.154 -3.539 -3.541 1.00 0.00 O ATOM 285 OE2 GLU A 19 -18.295 -4.494 -4.190 1.00 0.00 O ATOM 0 H GLU A 19 -16.246 -1.609 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.681 0.525 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.510 -0.642 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.812 -1.479 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.102 -2.417 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.313 -1.931 -2.464 1.00 0.00 H new ATOM 292 N ALA A 20 -17.091 2.195 -3.682 1.00 0.00 N ATOM 293 CA ALA A 20 -17.054 3.277 -2.715 1.00 0.00 C ATOM 294 C ALA A 20 -17.021 4.619 -3.414 1.00 0.00 C ATOM 295 O ALA A 20 -16.743 4.688 -4.596 1.00 0.00 O ATOM 296 CB ALA A 20 -15.843 3.132 -1.818 1.00 0.00 C ATOM 0 H ALA A 20 -16.716 2.441 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.957 3.225 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.825 3.949 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.894 2.181 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.937 3.162 -2.423 1.00 0.00 H new ATOM 302 N PRO A 21 -17.244 5.707 -2.698 1.00 0.00 N ATOM 303 CA PRO A 21 -16.944 7.031 -3.220 1.00 0.00 C ATOM 304 C PRO A 21 -15.459 7.339 -3.041 1.00 0.00 C ATOM 305 O PRO A 21 -14.813 6.761 -2.159 1.00 0.00 O ATOM 306 CB PRO A 21 -17.791 7.935 -2.345 1.00 0.00 C ATOM 307 CG PRO A 21 -17.824 7.230 -1.028 1.00 0.00 C ATOM 308 CD PRO A 21 -17.781 5.755 -1.330 1.00 0.00 C ATOM 0 HA PRO A 21 -17.154 7.145 -4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.353 8.929 -2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.793 8.064 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.976 7.524 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.727 7.486 -0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.143 5.219 -0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.771 5.303 -1.270 1.00 0.00 H new ATOM 316 N ILE A 22 -14.916 8.241 -3.852 1.00 0.00 N ATOM 317 CA ILE A 22 -13.487 8.576 -3.784 1.00 0.00 C ATOM 318 C ILE A 22 -13.095 8.989 -2.367 1.00 0.00 C ATOM 319 O ILE A 22 -12.006 8.696 -1.891 1.00 0.00 O ATOM 320 CB ILE A 22 -13.131 9.697 -4.789 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.645 10.063 -4.707 1.00 0.00 C ATOM 322 CG2 ILE A 22 -13.999 10.920 -4.551 1.00 0.00 C ATOM 323 CD1 ILE A 22 -11.190 11.049 -5.758 1.00 0.00 C ATOM 0 H ILE A 22 -15.436 8.755 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.922 7.684 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.327 9.323 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.439 10.479 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.053 9.153 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.735 11.698 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.048 10.652 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.838 11.289 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.127 11.254 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.361 10.629 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.753 11.976 -5.655 1.00 0.00 H new ATOM 335 N GLN A 23 -14.036 9.626 -1.705 1.00 0.00 N ATOM 336 CA GLN A 23 -13.888 10.114 -0.343 1.00 0.00 C ATOM 337 C GLN A 23 -13.687 9.001 0.698 1.00 0.00 C ATOM 338 O GLN A 23 -13.037 9.218 1.720 1.00 0.00 O ATOM 339 CB GLN A 23 -15.118 10.918 -0.009 1.00 0.00 C ATOM 340 CG GLN A 23 -16.350 10.100 -0.219 1.00 0.00 C ATOM 341 CD GLN A 23 -17.623 10.923 -0.244 1.00 0.00 C ATOM 342 OE1 GLN A 23 -18.287 11.085 0.779 1.00 0.00 O ATOM 343 NE2 GLN A 23 -17.955 11.476 -1.398 1.00 0.00 N ATOM 0 H GLN A 23 -14.952 9.826 -2.107 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.982 10.719 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.070 11.254 1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -15.156 11.811 -0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.260 9.556 -1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.423 9.356 0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.378 11.318 -2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.788 12.061 -1.462 1.00 0.00 H new ATOM 352 N LYS A 24 -14.253 7.823 0.479 1.00 0.00 N ATOM 353 CA LYS A 24 -14.136 6.775 1.484 1.00 0.00 C ATOM 354 C LYS A 24 -12.785 6.082 1.327 1.00 0.00 C ATOM 355 O LYS A 24 -12.097 5.760 2.296 1.00 0.00 O ATOM 356 CB LYS A 24 -15.276 5.765 1.338 1.00 0.00 C ATOM 357 CG LYS A 24 -15.899 5.342 2.665 1.00 0.00 C ATOM 358 CD LYS A 24 -14.910 4.598 3.549 1.00 0.00 C ATOM 359 CE LYS A 24 -15.503 4.290 4.917 1.00 0.00 C ATOM 360 NZ LYS A 24 -15.594 5.504 5.769 1.00 0.00 N ATOM 0 H LYS A 24 -14.781 7.572 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.203 7.217 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.051 6.196 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.901 4.879 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.263 6.224 3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.763 4.706 2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.614 3.669 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.007 5.196 3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.496 3.859 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.890 3.540 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.518 5.525 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.837 5.485 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.490 6.352 5.177 1.00 0.00 H new ATOM 374 N VAL A 25 -12.393 5.925 0.083 1.00 0.00 N ATOM 375 CA VAL A 25 -11.051 5.505 -0.270 1.00 0.00 C ATOM 376 C VAL A 25 -10.045 6.571 0.171 1.00 0.00 C ATOM 377 O VAL A 25 -8.920 6.270 0.537 1.00 0.00 O ATOM 378 CB VAL A 25 -10.926 5.208 -1.776 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.681 4.378 -2.035 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.176 4.489 -2.289 1.00 0.00 C ATOM 0 H VAL A 25 -13.000 6.086 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.831 4.574 0.253 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.837 6.150 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.597 4.171 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.801 4.928 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.750 3.438 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.068 4.288 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.300 3.548 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.051 5.118 -2.125 1.00 0.00 H new ATOM 390 N TRP A 26 -10.473 7.819 0.105 1.00 0.00 N ATOM 391 CA TRP A 26 -9.707 8.967 0.602 1.00 0.00 C ATOM 392 C TRP A 26 -9.343 8.754 2.051 1.00 0.00 C ATOM 393 O TRP A 26 -8.246 9.072 2.479 1.00 0.00 O ATOM 394 CB TRP A 26 -10.630 10.173 0.529 1.00 0.00 C ATOM 395 CG TRP A 26 -10.019 11.504 0.281 1.00 0.00 C ATOM 396 CD1 TRP A 26 -9.158 12.227 1.053 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.325 12.297 -0.843 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.907 13.439 0.443 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.619 13.497 -0.734 1.00 0.00 C ATOM 400 CE3 TRP A 26 -11.137 12.074 -1.943 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.716 14.494 -1.704 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -11.235 13.040 -2.901 1.00 0.00 C ATOM 403 CH2 TRP A 26 -10.528 14.247 -2.786 1.00 0.00 C ATOM 0 H TRP A 26 -11.374 8.076 -0.299 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.798 9.101 0.015 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.359 9.988 -0.260 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.182 10.228 1.467 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.739 11.902 1.994 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -8.295 14.171 0.804 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.685 11.148 -2.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -9.175 15.424 -1.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.866 12.874 -3.761 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.623 14.994 -3.560 1.00 0.00 H new ATOM 414 N GLU A 27 -10.306 8.263 2.793 1.00 0.00 N ATOM 415 CA GLU A 27 -10.110 7.848 4.168 1.00 0.00 C ATOM 416 C GLU A 27 -9.217 6.604 4.249 1.00 0.00 C ATOM 417 O GLU A 27 -8.583 6.344 5.270 1.00 0.00 O ATOM 418 CB GLU A 27 -11.469 7.572 4.793 1.00 0.00 C ATOM 419 CG GLU A 27 -11.441 7.382 6.296 1.00 0.00 C ATOM 420 CD GLU A 27 -12.829 7.235 6.879 1.00 0.00 C ATOM 421 OE1 GLU A 27 -13.322 6.094 6.968 1.00 0.00 O ATOM 422 OE2 GLU A 27 -13.436 8.261 7.253 1.00 0.00 O ATOM 0 H GLU A 27 -11.261 8.137 2.458 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.606 8.645 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.139 8.399 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.891 6.678 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.852 6.498 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.943 8.234 6.759 1.00 0.00 H new ATOM 429 N THR A 28 -9.252 5.793 3.197 1.00 0.00 N ATOM 430 CA THR A 28 -8.603 4.487 3.212 1.00 0.00 C ATOM 431 C THR A 28 -7.225 4.357 2.501 1.00 0.00 C ATOM 432 O THR A 28 -6.594 3.322 2.635 1.00 0.00 O ATOM 433 CB THR A 28 -9.561 3.406 2.704 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.866 3.617 3.263 1.00 0.00 O ATOM 435 CG2 THR A 28 -9.068 2.039 3.127 1.00 0.00 C ATOM 0 H THR A 28 -9.724 6.018 2.321 1.00 0.00 H new ATOM 0 HA THR A 28 -8.359 4.347 4.265 1.00 0.00 H new ATOM 0 HB THR A 28 -9.607 3.461 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.252 4.438 2.892 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.755 1.275 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.076 1.865 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.017 1.991 4.215 1.00 0.00 H new ATOM 443 N VAL A 29 -6.746 5.336 1.731 1.00 0.00 N ATOM 444 CA VAL A 29 -5.483 5.126 0.978 1.00 0.00 C ATOM 445 C VAL A 29 -4.465 6.262 1.139 1.00 0.00 C ATOM 446 O VAL A 29 -3.393 6.063 1.687 1.00 0.00 O ATOM 447 CB VAL A 29 -5.686 4.826 -0.534 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.449 3.542 -0.722 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.377 5.958 -1.270 1.00 0.00 C ATOM 0 H VAL A 29 -7.183 6.249 1.607 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.071 4.232 1.446 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.691 4.723 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.581 3.350 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.894 2.720 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.425 3.626 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.492 5.692 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.359 6.132 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.777 6.865 -1.188 1.00 0.00 H new ATOM 459 N SER A 30 -4.760 7.439 0.663 1.00 0.00 N ATOM 460 CA SER A 30 -3.787 8.514 0.763 1.00 0.00 C ATOM 461 C SER A 30 -4.119 9.380 1.944 1.00 0.00 C ATOM 462 O SER A 30 -4.501 10.542 1.808 1.00 0.00 O ATOM 463 CB SER A 30 -3.746 9.325 -0.518 1.00 0.00 C ATOM 464 OG SER A 30 -5.021 9.371 -1.131 1.00 0.00 O ATOM 0 H SER A 30 -5.641 7.685 0.211 1.00 0.00 H new ATOM 0 HA SER A 30 -2.795 8.087 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.406 10.338 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.023 8.887 -1.207 1.00 0.00 H new ATOM 0 HG SER A 30 -4.915 9.482 -2.099 1.00 0.00 H new ATOM 470 N THR A 31 -3.996 8.788 3.108 1.00 0.00 N ATOM 471 CA THR A 31 -4.534 9.374 4.294 1.00 0.00 C ATOM 472 C THR A 31 -3.805 8.868 5.513 1.00 0.00 C ATOM 473 O THR A 31 -2.791 8.183 5.400 1.00 0.00 O ATOM 474 CB THR A 31 -6.046 9.109 4.357 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.629 9.574 5.584 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.307 7.633 4.154 1.00 0.00 C ATOM 0 H THR A 31 -3.523 7.895 3.251 1.00 0.00 H new ATOM 0 HA THR A 31 -4.388 10.454 4.272 1.00 0.00 H new ATOM 0 HB THR A 31 -6.524 9.674 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.591 9.387 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.380 7.444 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.924 7.326 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.805 7.064 4.937 1.00 0.00 H new ATOM 484 N SER A 32 -4.293 9.269 6.660 1.00 0.00 N ATOM 485 CA SER A 32 -3.742 8.873 7.924 1.00 0.00 C ATOM 486 C SER A 32 -3.833 7.368 8.056 1.00 0.00 C ATOM 487 O SER A 32 -4.455 6.689 7.233 1.00 0.00 O ATOM 488 CB SER A 32 -4.481 9.522 9.082 1.00 0.00 C ATOM 489 OG SER A 32 -4.543 10.931 8.924 1.00 0.00 O ATOM 0 H SER A 32 -5.098 9.890 6.739 1.00 0.00 H new ATOM 0 HA SER A 32 -2.702 9.198 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.490 9.116 9.147 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.979 9.280 10.019 1.00 0.00 H new ATOM 0 HG SER A 32 -5.025 11.324 9.681 1.00 0.00 H new ATOM 495 N GLU A 33 -3.157 6.872 9.069 1.00 0.00 N ATOM 496 CA GLU A 33 -2.676 5.506 9.186 1.00 0.00 C ATOM 497 C GLU A 33 -3.746 4.433 8.934 1.00 0.00 C ATOM 498 O GLU A 33 -3.420 3.249 8.875 1.00 0.00 O ATOM 499 CB GLU A 33 -2.071 5.339 10.575 1.00 0.00 C ATOM 500 CG GLU A 33 -1.776 6.661 11.279 1.00 0.00 C ATOM 501 CD GLU A 33 -2.910 7.097 12.187 1.00 0.00 C ATOM 502 OE1 GLU A 33 -4.003 7.404 11.672 1.00 0.00 O ATOM 503 OE2 GLU A 33 -2.718 7.132 13.417 1.00 0.00 O ATOM 0 H GLU A 33 -2.913 7.440 9.880 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.935 5.351 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.754 4.754 11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.147 4.767 10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.862 6.562 11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.594 7.434 10.533 1.00 0.00 H new ATOM 510 N GLY A 34 -5.003 4.834 8.800 1.00 0.00 N ATOM 511 CA GLY A 34 -6.052 3.883 8.490 1.00 0.00 C ATOM 512 C GLY A 34 -5.793 3.144 7.191 1.00 0.00 C ATOM 513 O GLY A 34 -6.108 1.959 7.085 1.00 0.00 O ATOM 0 H GLY A 34 -5.315 5.800 8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.139 3.163 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.006 4.406 8.424 1.00 0.00 H new ATOM 517 N ILE A 35 -5.215 3.827 6.196 1.00 0.00 N ATOM 518 CA ILE A 35 -4.833 3.172 4.971 1.00 0.00 C ATOM 519 C ILE A 35 -3.783 2.089 5.201 1.00 0.00 C ATOM 520 O ILE A 35 -3.823 1.015 4.610 1.00 0.00 O ATOM 521 CB ILE A 35 -4.324 4.185 3.932 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.497 3.488 2.847 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.539 5.326 4.571 1.00 0.00 C ATOM 524 CD1 ILE A 35 -2.007 3.590 3.076 1.00 0.00 C ATOM 0 H ILE A 35 -5.009 4.825 6.228 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.731 2.691 4.583 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.202 4.629 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.780 2.436 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.740 3.924 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.201 6.014 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.179 5.858 5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.675 4.922 5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.479 3.076 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.712 4.639 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.753 3.128 4.030 1.00 0.00 H new ATOM 536 N ALA A 36 -2.853 2.384 6.070 1.00 0.00 N ATOM 537 CA ALA A 36 -1.757 1.465 6.369 1.00 0.00 C ATOM 538 C ALA A 36 -2.279 0.089 6.810 1.00 0.00 C ATOM 539 O ALA A 36 -1.650 -0.939 6.551 1.00 0.00 O ATOM 540 CB ALA A 36 -0.846 2.063 7.429 1.00 0.00 C ATOM 0 H ALA A 36 -2.822 3.259 6.594 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.182 1.317 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.033 1.369 7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.433 3.004 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.417 2.245 8.339 1.00 0.00 H new ATOM 546 N LYS A 37 -3.435 0.091 7.469 1.00 0.00 N ATOM 547 CA LYS A 37 -3.979 -1.100 8.120 1.00 0.00 C ATOM 548 C LYS A 37 -4.292 -2.260 7.153 1.00 0.00 C ATOM 549 O LYS A 37 -4.325 -3.415 7.586 1.00 0.00 O ATOM 550 CB LYS A 37 -5.223 -0.717 8.930 1.00 0.00 C ATOM 551 CG LYS A 37 -4.931 0.353 9.977 1.00 0.00 C ATOM 552 CD LYS A 37 -6.163 0.744 10.784 1.00 0.00 C ATOM 553 CE LYS A 37 -6.646 -0.388 11.680 1.00 0.00 C ATOM 554 NZ LYS A 37 -7.648 0.084 12.674 1.00 0.00 N ATOM 0 H LYS A 37 -4.022 0.919 7.567 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.199 -1.479 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.997 -0.356 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.619 -1.605 9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.159 -0.010 10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.530 1.238 9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.933 1.616 11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.964 1.034 10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.085 -1.175 11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.796 -0.827 12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.953 -0.715 13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.221 0.817 13.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.471 0.480 12.176 1.00 0.00 H new ATOM 568 N TRP A 38 -4.517 -1.997 5.860 1.00 0.00 N ATOM 569 CA TRP A 38 -4.709 -3.105 4.912 1.00 0.00 C ATOM 570 C TRP A 38 -3.383 -3.518 4.278 1.00 0.00 C ATOM 571 O TRP A 38 -3.259 -3.595 3.056 1.00 0.00 O ATOM 572 CB TRP A 38 -5.784 -2.826 3.824 1.00 0.00 C ATOM 573 CG TRP A 38 -5.764 -1.446 3.253 1.00 0.00 C ATOM 574 CD1 TRP A 38 -6.303 -0.349 3.831 1.00 0.00 C ATOM 575 CD2 TRP A 38 -5.228 -1.008 1.985 1.00 0.00 C ATOM 576 NE1 TRP A 38 -6.071 0.750 3.049 1.00 0.00 N ATOM 577 CE2 TRP A 38 -5.415 0.371 1.917 1.00 0.00 C ATOM 578 CE3 TRP A 38 -4.585 -1.628 0.914 1.00 0.00 C ATOM 579 CZ2 TRP A 38 -4.982 1.131 0.835 1.00 0.00 C ATOM 580 CZ3 TRP A 38 -4.171 -0.852 -0.160 1.00 0.00 C ATOM 581 CH2 TRP A 38 -4.368 0.505 -0.181 1.00 0.00 C ATOM 0 H TRP A 38 -4.570 -1.062 5.455 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.095 -3.936 5.502 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.651 -3.541 3.012 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.769 -3.011 4.253 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.837 -0.341 4.770 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -6.347 1.705 3.278 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.412 -2.694 0.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.136 2.200 0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.683 -1.328 -0.998 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.024 1.079 -1.029 1.00 0.00 H new ATOM 592 N PHE A 39 -2.401 -3.792 5.136 1.00 0.00 N ATOM 593 CA PHE A 39 -1.131 -4.381 4.720 1.00 0.00 C ATOM 594 C PHE A 39 -0.225 -4.592 5.930 1.00 0.00 C ATOM 595 O PHE A 39 0.238 -5.703 6.192 1.00 0.00 O ATOM 596 CB PHE A 39 -0.411 -3.503 3.688 1.00 0.00 C ATOM 597 CG PHE A 39 0.853 -4.123 3.159 1.00 0.00 C ATOM 598 CD1 PHE A 39 0.867 -5.442 2.735 1.00 0.00 C ATOM 599 CD2 PHE A 39 2.024 -3.388 3.082 1.00 0.00 C ATOM 600 CE1 PHE A 39 2.024 -6.015 2.246 1.00 0.00 C ATOM 601 CE2 PHE A 39 3.186 -3.955 2.594 1.00 0.00 C ATOM 602 CZ PHE A 39 3.185 -5.273 2.176 1.00 0.00 C ATOM 0 H PHE A 39 -2.464 -3.612 6.138 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.353 -5.342 4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.086 -3.305 2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.173 -2.541 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.038 -6.029 2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.029 -2.358 3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.020 -7.044 1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.092 -3.370 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.091 -5.721 1.795 1.00 0.00 H new ATOM 612 N MET A 40 0.007 -3.520 6.669 1.00 0.00 N ATOM 613 CA MET A 40 0.931 -3.537 7.795 1.00 0.00 C ATOM 614 C MET A 40 0.303 -2.823 8.988 1.00 0.00 C ATOM 615 O MET A 40 -0.879 -2.477 8.938 1.00 0.00 O ATOM 616 CB MET A 40 2.243 -2.848 7.391 1.00 0.00 C ATOM 617 CG MET A 40 3.095 -3.652 6.422 1.00 0.00 C ATOM 618 SD MET A 40 4.553 -2.746 5.868 1.00 0.00 S ATOM 619 CE MET A 40 5.361 -2.409 7.431 1.00 0.00 C ATOM 0 H MET A 40 -0.437 -2.616 6.508 1.00 0.00 H new ATOM 0 HA MET A 40 1.144 -4.568 8.077 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.010 -1.884 6.939 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.826 -2.646 8.289 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.408 -4.579 6.902 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.493 -3.928 5.557 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.409 -2.167 7.254 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.871 -1.567 7.920 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.295 -3.288 8.072 1.00 0.00 H new ATOM 629 N PRO A 41 1.048 -2.626 10.098 1.00 0.00 N ATOM 630 CA PRO A 41 0.633 -1.711 11.168 1.00 0.00 C ATOM 631 C PRO A 41 0.351 -0.305 10.625 1.00 0.00 C ATOM 632 O PRO A 41 0.427 -0.063 9.420 1.00 0.00 O ATOM 633 CB PRO A 41 1.836 -1.685 12.127 1.00 0.00 C ATOM 634 CG PRO A 41 2.954 -2.346 11.391 1.00 0.00 C ATOM 635 CD PRO A 41 2.306 -3.307 10.439 1.00 0.00 C ATOM 0 HA PRO A 41 -0.289 -2.036 11.650 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.097 -0.662 12.400 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.610 -2.214 13.053 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.557 -1.613 10.856 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.621 -2.867 12.078 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.923 -3.482 9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.128 -4.278 10.902 1.00 0.00 H new ATOM 643 N ASN A 42 0.060 0.631 11.505 1.00 0.00 N ATOM 644 CA ASN A 42 -0.337 1.957 11.061 1.00 0.00 C ATOM 645 C ASN A 42 0.846 2.913 11.099 1.00 0.00 C ATOM 646 O ASN A 42 1.687 2.838 11.996 1.00 0.00 O ATOM 647 CB ASN A 42 -1.499 2.487 11.911 1.00 0.00 C ATOM 648 CG ASN A 42 -1.155 2.648 13.380 1.00 0.00 C ATOM 649 OD1 ASN A 42 -0.676 3.697 13.808 1.00 0.00 O ATOM 650 ND2 ASN A 42 -1.431 1.623 14.168 1.00 0.00 N ATOM 0 H ASN A 42 0.089 0.505 12.517 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.679 1.885 10.029 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.818 3.451 11.514 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.346 1.807 11.817 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.247 1.686 15.169 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.828 0.770 13.775 1.00 0.00 H new ATOM 657 N ASP A 43 0.896 3.807 10.111 1.00 0.00 N ATOM 658 CA ASP A 43 2.055 4.675 9.914 1.00 0.00 C ATOM 659 C ASP A 43 1.771 5.759 8.869 1.00 0.00 C ATOM 660 O ASP A 43 1.877 6.950 9.163 1.00 0.00 O ATOM 661 CB ASP A 43 3.264 3.833 9.483 1.00 0.00 C ATOM 662 CG ASP A 43 4.493 4.662 9.150 1.00 0.00 C ATOM 663 OD1 ASP A 43 5.090 5.247 10.082 1.00 0.00 O ATOM 664 OD2 ASP A 43 4.872 4.702 7.954 1.00 0.00 O ATOM 0 H ASP A 43 0.146 3.948 9.434 1.00 0.00 H new ATOM 0 HA ASP A 43 2.273 5.172 10.859 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.513 3.134 10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.990 3.238 8.612 1.00 0.00 H new ATOM 669 N PHE A 44 1.372 5.340 7.664 1.00 0.00 N ATOM 670 CA PHE A 44 1.222 6.273 6.537 1.00 0.00 C ATOM 671 C PHE A 44 0.182 7.358 6.805 1.00 0.00 C ATOM 672 O PHE A 44 -0.891 7.098 7.333 1.00 0.00 O ATOM 673 CB PHE A 44 0.852 5.555 5.232 1.00 0.00 C ATOM 674 CG PHE A 44 0.822 6.517 4.072 1.00 0.00 C ATOM 675 CD1 PHE A 44 1.892 7.361 3.857 1.00 0.00 C ATOM 676 CD2 PHE A 44 -0.275 6.613 3.227 1.00 0.00 C ATOM 677 CE1 PHE A 44 1.883 8.280 2.833 1.00 0.00 C ATOM 678 CE2 PHE A 44 -0.285 7.532 2.188 1.00 0.00 C ATOM 679 CZ PHE A 44 0.795 8.366 1.995 1.00 0.00 C ATOM 0 H PHE A 44 1.148 4.370 7.442 1.00 0.00 H new ATOM 0 HA PHE A 44 2.201 6.740 6.428 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.573 4.763 5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.123 5.079 5.339 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.754 7.299 4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.127 5.967 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.730 8.934 2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.139 7.594 1.530 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.787 9.085 1.189 1.00 0.00 H new ATOM 689 N GLN A 45 0.553 8.572 6.431 1.00 0.00 N ATOM 690 CA GLN A 45 -0.305 9.750 6.469 1.00 0.00 C ATOM 691 C GLN A 45 0.028 10.520 5.210 1.00 0.00 C ATOM 692 O GLN A 45 1.197 10.523 4.825 1.00 0.00 O ATOM 693 CB GLN A 45 0.018 10.576 7.720 1.00 0.00 C ATOM 694 CG GLN A 45 -0.136 9.785 9.010 1.00 0.00 C ATOM 695 CD GLN A 45 0.556 10.431 10.192 1.00 0.00 C ATOM 696 OE1 GLN A 45 0.658 11.652 10.285 1.00 0.00 O ATOM 697 NE2 GLN A 45 1.062 9.607 11.094 1.00 0.00 N ATOM 0 H GLN A 45 1.490 8.773 6.081 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.365 9.501 6.513 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.040 10.949 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.637 11.446 7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.197 9.672 9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.267 8.783 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.956 8.599 10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.558 9.979 11.903 1.00 0.00 H new ATOM 706 N LEU A 46 -0.926 11.163 4.541 1.00 0.00 N ATOM 707 CA LEU A 46 -0.583 11.719 3.243 1.00 0.00 C ATOM 708 C LEU A 46 0.303 12.945 3.419 1.00 0.00 C ATOM 709 O LEU A 46 -0.090 14.007 3.901 1.00 0.00 O ATOM 710 CB LEU A 46 -1.813 11.945 2.323 1.00 0.00 C ATOM 711 CG LEU A 46 -2.766 13.135 2.576 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.143 13.269 4.044 1.00 0.00 C ATOM 713 CD2 LEU A 46 -2.210 14.439 2.017 1.00 0.00 C ATOM 0 H LEU A 46 -1.886 11.305 4.854 1.00 0.00 H new ATOM 0 HA LEU A 46 0.001 10.976 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.440 12.041 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.414 11.036 2.359 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.685 12.917 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.814 14.119 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.643 12.359 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.243 13.425 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.912 15.249 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.255 14.661 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.066 14.341 0.941 1.00 0.00 H new ATOM 725 N LYS A 47 1.550 12.683 3.126 1.00 0.00 N ATOM 726 CA LYS A 47 2.644 13.615 3.220 1.00 0.00 C ATOM 727 C LYS A 47 3.445 13.493 1.954 1.00 0.00 C ATOM 728 O LYS A 47 3.298 12.507 1.282 1.00 0.00 O ATOM 729 CB LYS A 47 3.479 13.315 4.451 1.00 0.00 C ATOM 730 CG LYS A 47 2.999 14.081 5.667 1.00 0.00 C ATOM 731 CD LYS A 47 3.640 13.589 6.955 1.00 0.00 C ATOM 732 CE LYS A 47 3.143 14.387 8.150 1.00 0.00 C ATOM 733 NZ LYS A 47 3.697 13.886 9.436 1.00 0.00 N ATOM 0 H LYS A 47 1.846 11.764 2.798 1.00 0.00 H new ATOM 0 HA LYS A 47 2.286 14.639 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.444 12.246 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.521 13.567 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.221 15.140 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.916 13.989 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.412 12.533 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.724 13.674 6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.417 15.434 8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.054 14.344 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.329 14.462 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.415 12.894 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.735 13.951 9.416 1.00 0.00 H new ATOM 747 N GLU A 48 4.138 14.521 1.534 1.00 0.00 N ATOM 748 CA GLU A 48 5.009 14.390 0.374 1.00 0.00 C ATOM 749 C GLU A 48 6.453 14.761 0.677 1.00 0.00 C ATOM 750 O GLU A 48 6.725 15.816 1.255 1.00 0.00 O ATOM 751 CB GLU A 48 4.476 15.177 -0.802 1.00 0.00 C ATOM 752 CG GLU A 48 3.431 14.425 -1.596 1.00 0.00 C ATOM 753 CD GLU A 48 2.748 15.325 -2.599 1.00 0.00 C ATOM 754 OE1 GLU A 48 2.039 16.262 -2.181 1.00 0.00 O ATOM 755 OE2 GLU A 48 2.947 15.118 -3.814 1.00 0.00 O ATOM 0 H GLU A 48 4.124 15.446 1.963 1.00 0.00 H new ATOM 0 HA GLU A 48 5.011 13.334 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.046 16.111 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.304 15.440 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.899 13.588 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.689 14.005 -0.917 1.00 0.00 H new ATOM 762 N GLY A 49 7.367 13.888 0.268 1.00 0.00 N ATOM 763 CA GLY A 49 8.798 14.124 0.432 1.00 0.00 C ATOM 764 C GLY A 49 9.163 14.379 1.874 1.00 0.00 C ATOM 765 O GLY A 49 10.049 15.173 2.188 1.00 0.00 O ATOM 0 H GLY A 49 7.140 13.002 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.353 13.261 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.097 14.978 -0.175 1.00 0.00 H new ATOM 769 N GLN A 50 8.448 13.699 2.734 1.00 0.00 N ATOM 770 CA GLN A 50 8.504 13.885 4.151 1.00 0.00 C ATOM 771 C GLN A 50 9.231 12.719 4.769 1.00 0.00 C ATOM 772 O GLN A 50 9.569 11.762 4.080 1.00 0.00 O ATOM 773 CB GLN A 50 7.072 13.929 4.669 1.00 0.00 C ATOM 774 CG GLN A 50 6.547 12.562 5.043 1.00 0.00 C ATOM 775 CD GLN A 50 6.523 11.635 3.861 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.254 12.052 2.741 1.00 0.00 O ATOM 777 NE2 GLN A 50 6.891 10.394 4.085 1.00 0.00 N ATOM 0 H GLN A 50 7.788 12.975 2.450 1.00 0.00 H new ATOM 0 HA GLN A 50 9.027 14.807 4.404 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.024 14.583 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.427 14.366 3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.171 12.135 5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.541 12.657 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.106 10.089 5.034 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.962 9.735 3.310 1.00 0.00 H new ATOM 786 N GLU A 51 9.489 12.798 6.042 1.00 0.00 N ATOM 787 CA GLU A 51 9.710 11.589 6.781 1.00 0.00 C ATOM 788 C GLU A 51 8.650 11.471 7.866 1.00 0.00 C ATOM 789 O GLU A 51 8.418 12.419 8.616 1.00 0.00 O ATOM 790 CB GLU A 51 11.109 11.556 7.379 1.00 0.00 C ATOM 791 CG GLU A 51 12.202 11.415 6.336 1.00 0.00 C ATOM 792 CD GLU A 51 13.221 12.526 6.414 1.00 0.00 C ATOM 793 OE1 GLU A 51 14.101 12.472 7.296 1.00 0.00 O ATOM 794 OE2 GLU A 51 13.150 13.458 5.592 1.00 0.00 O ATOM 0 H GLU A 51 9.551 13.663 6.579 1.00 0.00 H new ATOM 0 HA GLU A 51 9.632 10.738 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.275 12.470 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.177 10.726 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.704 10.456 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.753 11.407 5.343 1.00 0.00 H new ATOM 801 N PHE A 52 8.003 10.313 7.947 1.00 0.00 N ATOM 802 CA PHE A 52 6.978 10.086 8.962 1.00 0.00 C ATOM 803 C PHE A 52 7.187 8.779 9.694 1.00 0.00 C ATOM 804 O PHE A 52 7.483 7.765 9.091 1.00 0.00 O ATOM 805 CB PHE A 52 5.548 10.161 8.399 1.00 0.00 C ATOM 806 CG PHE A 52 5.285 9.544 7.060 1.00 0.00 C ATOM 807 CD1 PHE A 52 5.878 8.372 6.643 1.00 0.00 C ATOM 808 CD2 PHE A 52 4.419 10.186 6.203 1.00 0.00 C ATOM 809 CE1 PHE A 52 5.610 7.857 5.396 1.00 0.00 C ATOM 810 CE2 PHE A 52 4.150 9.686 4.962 1.00 0.00 C ATOM 811 CZ PHE A 52 4.745 8.515 4.549 1.00 0.00 C ATOM 0 H PHE A 52 8.168 9.521 7.326 1.00 0.00 H new ATOM 0 HA PHE A 52 7.088 10.902 9.676 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.880 9.690 9.120 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.266 11.212 8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.559 7.853 7.301 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.944 11.103 6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.078 6.936 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.471 10.208 4.304 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.535 8.115 3.568 1.00 0.00 H new ATOM 821 N HIS A 53 7.040 8.818 11.003 1.00 0.00 N ATOM 822 CA HIS A 53 7.177 7.622 11.815 1.00 0.00 C ATOM 823 C HIS A 53 6.115 7.607 12.899 1.00 0.00 C ATOM 824 O HIS A 53 5.813 8.640 13.499 1.00 0.00 O ATOM 825 CB HIS A 53 8.583 7.537 12.435 1.00 0.00 C ATOM 826 CG HIS A 53 9.041 8.787 13.134 1.00 0.00 C ATOM 827 ND1 HIS A 53 8.718 9.092 14.439 1.00 0.00 N ATOM 828 CD2 HIS A 53 9.817 9.808 12.697 1.00 0.00 C ATOM 829 CE1 HIS A 53 9.272 10.242 14.772 1.00 0.00 C ATOM 830 NE2 HIS A 53 9.946 10.699 13.734 1.00 0.00 N ATOM 0 H HIS A 53 6.825 9.665 11.529 1.00 0.00 H new ATOM 0 HA HIS A 53 7.040 6.751 11.174 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.601 6.712 13.147 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.298 7.295 11.648 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.254 9.904 11.714 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.188 10.728 15.733 1.00 0.00 H new ATOM 0 HE2 HIS A 53 10.476 11.570 13.706 1.00 0.00 H new ATOM 839 N LEU A 54 5.546 6.438 13.134 1.00 0.00 N ATOM 840 CA LEU A 54 4.513 6.285 14.146 1.00 0.00 C ATOM 841 C LEU A 54 5.043 5.459 15.315 1.00 0.00 C ATOM 842 O LEU A 54 5.012 5.897 16.465 1.00 0.00 O ATOM 843 CB LEU A 54 3.270 5.627 13.525 1.00 0.00 C ATOM 844 CG LEU A 54 1.946 5.810 14.286 1.00 0.00 C ATOM 845 CD1 LEU A 54 1.930 5.009 15.583 1.00 0.00 C ATOM 846 CD2 LEU A 54 1.692 7.285 14.566 1.00 0.00 C ATOM 0 H LEU A 54 5.782 5.579 12.637 1.00 0.00 H new ATOM 0 HA LEU A 54 4.230 7.267 14.526 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.142 6.022 12.517 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.462 4.559 13.427 1.00 0.00 H new ATOM 0 HG LEU A 54 1.144 5.430 13.653 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.979 5.163 16.094 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.054 3.950 15.358 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.745 5.341 16.226 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.751 7.396 15.105 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.506 7.686 15.170 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.637 7.830 13.624 1.00 0.00 H new ATOM 858 N GLN A 55 5.548 4.271 15.013 1.00 0.00 N ATOM 859 CA GLN A 55 6.038 3.361 16.047 1.00 0.00 C ATOM 860 C GLN A 55 7.556 3.442 16.180 1.00 0.00 C ATOM 861 O GLN A 55 8.201 2.494 16.631 1.00 0.00 O ATOM 862 CB GLN A 55 5.621 1.921 15.733 1.00 0.00 C ATOM 863 CG GLN A 55 6.071 1.436 14.362 1.00 0.00 C ATOM 864 CD GLN A 55 5.817 -0.043 14.146 1.00 0.00 C ATOM 865 OE1 GLN A 55 5.573 -0.485 13.027 1.00 0.00 O ATOM 866 NE2 GLN A 55 5.883 -0.820 15.215 1.00 0.00 N ATOM 0 H GLN A 55 5.630 3.912 14.062 1.00 0.00 H new ATOM 0 HA GLN A 55 5.593 3.665 16.995 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.032 1.259 16.495 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.536 1.845 15.797 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.550 2.005 13.592 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.135 1.638 14.242 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.088 -0.415 16.128 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.729 -1.824 15.126 1.00 0.00 H new ATOM 875 N SER A 56 8.125 4.577 15.804 1.00 0.00 N ATOM 876 CA SER A 56 9.569 4.743 15.833 1.00 0.00 C ATOM 877 C SER A 56 9.970 5.978 16.645 1.00 0.00 C ATOM 878 O SER A 56 10.081 7.075 16.099 1.00 0.00 O ATOM 879 CB SER A 56 10.110 4.855 14.403 1.00 0.00 C ATOM 880 OG SER A 56 9.640 3.789 13.594 1.00 0.00 O ATOM 0 H SER A 56 7.610 5.394 15.476 1.00 0.00 H new ATOM 0 HA SER A 56 10.002 3.867 16.316 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.805 5.807 13.969 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.200 4.848 14.422 1.00 0.00 H new ATOM 0 HG SER A 56 9.998 3.885 12.687 1.00 0.00 H new ATOM 886 N PRO A 57 10.173 5.818 17.967 1.00 0.00 N ATOM 887 CA PRO A 57 10.696 6.893 18.817 1.00 0.00 C ATOM 888 C PRO A 57 12.153 7.195 18.478 1.00 0.00 C ATOM 889 O PRO A 57 12.662 8.290 18.726 1.00 0.00 O ATOM 890 CB PRO A 57 10.567 6.332 20.236 1.00 0.00 C ATOM 891 CG PRO A 57 10.547 4.851 20.065 1.00 0.00 C ATOM 892 CD PRO A 57 9.894 4.591 18.736 1.00 0.00 C ATOM 0 HA PRO A 57 10.160 7.833 18.687 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.402 6.646 20.862 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.656 6.686 20.719 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.557 4.443 20.089 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.991 4.373 20.872 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.312 3.709 18.250 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.823 4.419 18.842 1.00 0.00 H new ATOM 900 N PHE A 58 12.810 6.199 17.903 1.00 0.00 N ATOM 901 CA PHE A 58 14.160 6.342 17.401 1.00 0.00 C ATOM 902 C PHE A 58 14.209 5.837 15.966 1.00 0.00 C ATOM 903 O PHE A 58 14.284 4.633 15.725 1.00 0.00 O ATOM 904 CB PHE A 58 15.150 5.567 18.277 1.00 0.00 C ATOM 905 CG PHE A 58 16.569 5.625 17.781 1.00 0.00 C ATOM 906 CD1 PHE A 58 17.311 6.790 17.895 1.00 0.00 C ATOM 907 CD2 PHE A 58 17.158 4.514 17.196 1.00 0.00 C ATOM 908 CE1 PHE A 58 18.612 6.845 17.434 1.00 0.00 C ATOM 909 CE2 PHE A 58 18.458 4.565 16.734 1.00 0.00 C ATOM 910 CZ PHE A 58 19.185 5.732 16.852 1.00 0.00 C ATOM 0 H PHE A 58 12.417 5.267 17.773 1.00 0.00 H new ATOM 0 HA PHE A 58 14.446 7.394 17.428 1.00 0.00 H new ATOM 0 HB2 PHE A 58 15.112 5.964 19.291 1.00 0.00 H new ATOM 0 HB3 PHE A 58 14.835 4.525 18.331 1.00 0.00 H new ATOM 0 HD1 PHE A 58 16.867 7.664 18.349 1.00 0.00 H new ATOM 0 HD2 PHE A 58 16.593 3.598 17.101 1.00 0.00 H new ATOM 0 HE1 PHE A 58 19.181 7.758 17.529 1.00 0.00 H new ATOM 0 HE2 PHE A 58 18.905 3.693 16.281 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.201 5.775 16.489 1.00 0.00 H new ATOM 920 N GLY A 59 14.129 6.756 15.020 1.00 0.00 N ATOM 921 CA GLY A 59 14.131 6.378 13.624 1.00 0.00 C ATOM 922 C GLY A 59 14.120 7.579 12.701 1.00 0.00 C ATOM 923 O GLY A 59 13.066 7.958 12.186 1.00 0.00 O ATOM 0 H GLY A 59 14.063 7.759 15.193 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.012 5.771 13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.260 5.756 13.417 1.00 0.00 H new ATOM 927 N PRO A 60 15.282 8.217 12.494 1.00 0.00 N ATOM 928 CA PRO A 60 15.412 9.338 11.567 1.00 0.00 C ATOM 929 C PRO A 60 15.318 8.870 10.121 1.00 0.00 C ATOM 930 O PRO A 60 15.927 7.866 9.747 1.00 0.00 O ATOM 931 CB PRO A 60 16.811 9.905 11.859 1.00 0.00 C ATOM 932 CG PRO A 60 17.272 9.222 13.104 1.00 0.00 C ATOM 933 CD PRO A 60 16.559 7.903 13.142 1.00 0.00 C ATOM 0 HA PRO A 60 14.620 10.075 11.697 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.493 9.711 11.031 1.00 0.00 H new ATOM 0 HB3 PRO A 60 16.775 10.986 11.996 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.353 9.081 13.094 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.037 9.818 13.986 1.00 0.00 H new ATOM 0 HD2 PRO A 60 17.108 7.129 12.605 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.420 7.546 14.162 1.00 0.00 H new ATOM 941 N SER A 61 14.552 9.602 9.323 1.00 0.00 N ATOM 942 CA SER A 61 14.315 9.259 7.924 1.00 0.00 C ATOM 943 C SER A 61 13.753 7.838 7.774 1.00 0.00 C ATOM 944 O SER A 61 14.427 6.940 7.261 1.00 0.00 O ATOM 945 CB SER A 61 15.607 9.413 7.114 1.00 0.00 C ATOM 946 OG SER A 61 16.105 10.741 7.204 1.00 0.00 O ATOM 0 H SER A 61 14.076 10.452 9.626 1.00 0.00 H new ATOM 0 HA SER A 61 13.567 9.950 7.535 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.357 8.713 7.482 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.419 9.160 6.070 1.00 0.00 H new ATOM 0 HG SER A 61 15.408 11.328 7.566 1.00 0.00 H new ATOM 952 N PRO A 62 12.506 7.612 8.226 1.00 0.00 N ATOM 953 CA PRO A 62 11.852 6.313 8.074 1.00 0.00 C ATOM 954 C PRO A 62 11.388 6.076 6.649 1.00 0.00 C ATOM 955 O PRO A 62 12.098 5.520 5.809 1.00 0.00 O ATOM 956 CB PRO A 62 10.630 6.419 8.989 1.00 0.00 C ATOM 957 CG PRO A 62 10.314 7.882 9.025 1.00 0.00 C ATOM 958 CD PRO A 62 11.639 8.592 8.912 1.00 0.00 C ATOM 0 HA PRO A 62 12.526 5.491 8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.792 5.841 8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.846 6.035 9.986 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.651 8.159 8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.805 8.149 9.951 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.550 9.516 8.341 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.035 8.859 9.892 1.00 0.00 H new ATOM 966 N CYS A 63 10.186 6.536 6.399 1.00 0.00 N ATOM 967 CA CYS A 63 9.534 6.401 5.137 1.00 0.00 C ATOM 968 C CYS A 63 9.227 7.786 4.573 1.00 0.00 C ATOM 969 O CYS A 63 9.001 8.736 5.330 1.00 0.00 O ATOM 970 CB CYS A 63 8.290 5.556 5.374 1.00 0.00 C ATOM 971 SG CYS A 63 7.548 5.806 6.997 1.00 0.00 S ATOM 0 H CYS A 63 9.625 7.028 7.095 1.00 0.00 H new ATOM 0 HA CYS A 63 10.157 5.905 4.393 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.552 5.788 4.606 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.549 4.503 5.260 1.00 0.00 H new ATOM 0 HG CYS A 63 6.411 6.422 6.864 1.00 0.00 H new ATOM 977 N LYS A 64 9.220 7.901 3.253 1.00 0.00 N ATOM 978 CA LYS A 64 9.190 9.197 2.593 1.00 0.00 C ATOM 979 C LYS A 64 8.270 9.120 1.394 1.00 0.00 C ATOM 980 O LYS A 64 8.364 8.183 0.607 1.00 0.00 O ATOM 981 CB LYS A 64 10.607 9.585 2.145 1.00 0.00 C ATOM 982 CG LYS A 64 11.254 8.549 1.236 1.00 0.00 C ATOM 983 CD LYS A 64 12.631 8.977 0.757 1.00 0.00 C ATOM 984 CE LYS A 64 13.193 7.980 -0.243 1.00 0.00 C ATOM 985 NZ LYS A 64 13.380 6.631 0.357 1.00 0.00 N ATOM 0 H LYS A 64 9.235 7.106 2.614 1.00 0.00 H new ATOM 0 HA LYS A 64 8.822 9.954 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.567 10.542 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.233 9.728 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.336 7.602 1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.611 8.374 0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.570 9.964 0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.306 9.063 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.521 7.906 -1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.149 8.344 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.356 6.311 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.196 6.677 1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.719 5.960 -0.084 1.00 0.00 H new ATOM 999 N VAL A 65 7.359 10.063 1.246 1.00 0.00 N ATOM 1000 CA VAL A 65 6.446 9.980 0.135 1.00 0.00 C ATOM 1001 C VAL A 65 7.077 10.538 -1.127 1.00 0.00 C ATOM 1002 O VAL A 65 7.613 11.640 -1.140 1.00 0.00 O ATOM 1003 CB VAL A 65 5.128 10.696 0.420 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.299 10.835 -0.839 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.329 9.953 1.475 1.00 0.00 C ATOM 0 H VAL A 65 7.236 10.868 1.861 1.00 0.00 H new ATOM 0 HA VAL A 65 6.226 8.923 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 65 5.370 11.692 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.366 11.349 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.855 11.411 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.078 9.846 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.394 10.481 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.112 8.944 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.906 9.899 2.398 1.00 0.00 H new ATOM 1015 N LEU A 66 7.019 9.747 -2.175 1.00 0.00 N ATOM 1016 CA LEU A 66 7.477 10.154 -3.483 1.00 0.00 C ATOM 1017 C LEU A 66 6.558 11.234 -4.040 1.00 0.00 C ATOM 1018 O LEU A 66 7.009 12.266 -4.536 1.00 0.00 O ATOM 1019 CB LEU A 66 7.497 8.933 -4.412 1.00 0.00 C ATOM 1020 CG LEU A 66 8.810 8.149 -4.436 1.00 0.00 C ATOM 1021 CD1 LEU A 66 9.962 9.042 -4.869 1.00 0.00 C ATOM 1022 CD2 LEU A 66 9.086 7.541 -3.073 1.00 0.00 C ATOM 0 H LEU A 66 6.650 8.797 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 66 8.485 10.563 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.695 8.257 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.273 9.265 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 66 8.716 7.342 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.886 8.464 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.766 9.430 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.061 9.873 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.024 6.986 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.159 8.334 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.274 6.866 -2.805 1.00 0.00 H new ATOM 1034 N ALA A 67 5.266 10.969 -3.963 1.00 0.00 N ATOM 1035 CA ALA A 67 4.250 11.861 -4.464 1.00 0.00 C ATOM 1036 C ALA A 67 2.939 11.530 -3.786 1.00 0.00 C ATOM 1037 O ALA A 67 2.685 10.371 -3.484 1.00 0.00 O ATOM 1038 CB ALA A 67 4.122 11.714 -5.963 1.00 0.00 C ATOM 0 H ALA A 67 4.894 10.116 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 67 4.523 12.894 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.352 12.392 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.074 11.956 -6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.847 10.687 -6.206 1.00 0.00 H new ATOM 1044 N VAL A 68 2.109 12.504 -3.530 1.00 0.00 N ATOM 1045 CA VAL A 68 0.802 12.191 -3.010 1.00 0.00 C ATOM 1046 C VAL A 68 -0.262 13.103 -3.596 1.00 0.00 C ATOM 1047 O VAL A 68 -0.097 14.319 -3.688 1.00 0.00 O ATOM 1048 CB VAL A 68 0.728 12.156 -1.461 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.349 13.500 -0.852 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.253 11.076 -1.052 1.00 0.00 C ATOM 0 H VAL A 68 2.304 13.496 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 68 0.598 11.170 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 68 1.722 11.931 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.314 13.411 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.091 14.248 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.630 13.804 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.318 11.037 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.236 11.301 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.088 10.112 -1.430 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.334 12.479 -4.034 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.410 13.145 -4.730 1.00 0.00 C ATOM 1062 C GLN A 69 -3.732 12.565 -4.286 1.00 0.00 C ATOM 1063 O GLN A 69 -3.880 11.338 -4.205 1.00 0.00 O ATOM 1064 CB GLN A 69 -2.234 12.938 -6.223 1.00 0.00 C ATOM 1065 CG GLN A 69 -1.100 13.748 -6.832 1.00 0.00 C ATOM 1066 CD GLN A 69 -1.306 15.248 -6.720 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -2.434 15.742 -6.737 1.00 0.00 O ATOM 1068 NE2 GLN A 69 -0.214 15.987 -6.600 1.00 0.00 N ATOM 0 H GLN A 69 -1.483 11.477 -3.914 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.395 14.211 -4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.054 11.880 -6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.164 13.199 -6.727 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.165 13.479 -6.340 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.995 13.480 -7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.704 15.543 -6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.291 17.001 -6.518 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.709 13.438 -4.095 1.00 0.00 N ATOM 1078 CA ALA A 70 -5.934 13.068 -3.427 1.00 0.00 C ATOM 1079 C ALA A 70 -6.683 12.065 -4.267 1.00 0.00 C ATOM 1080 O ALA A 70 -7.009 12.342 -5.422 1.00 0.00 O ATOM 1081 CB ALA A 70 -6.800 14.284 -3.173 1.00 0.00 C ATOM 0 H ALA A 70 -4.671 14.411 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.685 12.623 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.717 13.979 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.259 14.991 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.049 14.758 -4.122 1.00 0.00 H new ATOM 1087 N PRO A 71 -7.049 10.940 -3.635 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.328 9.664 -4.256 1.00 0.00 C ATOM 1089 C PRO A 71 -7.261 9.640 -5.773 1.00 0.00 C ATOM 1090 O PRO A 71 -8.245 9.399 -6.464 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.702 9.418 -3.686 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.519 9.803 -2.251 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.397 10.832 -2.220 1.00 0.00 C ATOM 0 HA PRO A 71 -6.588 8.892 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.462 10.025 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.008 8.377 -3.793 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.439 10.219 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.265 8.933 -1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.728 11.785 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.553 10.498 -1.616 1.00 0.00 H new ATOM 1101 N THR A 72 -6.069 9.922 -6.266 1.00 0.00 N ATOM 1102 CA THR A 72 -5.725 9.678 -7.641 1.00 0.00 C ATOM 1103 C THR A 72 -4.408 8.924 -7.684 1.00 0.00 C ATOM 1104 O THR A 72 -4.323 7.848 -8.264 1.00 0.00 O ATOM 1105 CB THR A 72 -5.611 10.982 -8.455 1.00 0.00 C ATOM 1106 OG1 THR A 72 -4.762 11.919 -7.776 1.00 0.00 O ATOM 1107 CG2 THR A 72 -6.981 11.602 -8.688 1.00 0.00 C ATOM 0 H THR A 72 -5.313 10.329 -5.715 1.00 0.00 H new ATOM 0 HA THR A 72 -6.522 9.089 -8.095 1.00 0.00 H new ATOM 0 HB THR A 72 -5.174 10.737 -9.423 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.212 12.242 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.871 12.521 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.609 10.901 -9.238 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.446 11.829 -7.728 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.399 9.464 -7.003 1.00 0.00 N ATOM 1116 CA GLU A 73 -2.060 8.881 -7.031 1.00 0.00 C ATOM 1117 C GLU A 73 -1.423 8.987 -5.666 1.00 0.00 C ATOM 1118 O GLU A 73 -1.502 10.014 -5.006 1.00 0.00 O ATOM 1119 CB GLU A 73 -1.182 9.598 -8.055 1.00 0.00 C ATOM 1120 CG GLU A 73 0.199 8.979 -8.226 1.00 0.00 C ATOM 1121 CD GLU A 73 1.082 9.798 -9.144 1.00 0.00 C ATOM 1122 OE1 GLU A 73 1.492 10.909 -8.749 1.00 0.00 O ATOM 1123 OE2 GLU A 73 1.355 9.342 -10.272 1.00 0.00 O ATOM 0 H GLU A 73 -3.483 10.302 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.149 7.832 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.691 9.598 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.068 10.640 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.678 8.887 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.096 7.971 -8.627 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.814 7.916 -5.243 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.083 7.898 -4.012 1.00 0.00 C ATOM 1132 C LEU A 74 1.212 7.176 -4.259 1.00 0.00 C ATOM 1133 O LEU A 74 1.193 6.074 -4.735 1.00 0.00 O ATOM 1134 CB LEU A 74 -0.943 7.161 -2.984 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.396 7.008 -1.586 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.534 6.735 -0.639 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.609 5.889 -1.497 1.00 0.00 C ATOM 0 H LEU A 74 -0.812 7.028 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 74 0.140 8.899 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.899 7.680 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.149 6.164 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 74 0.112 7.934 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.146 6.623 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.239 7.566 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.042 5.818 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.978 5.812 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.135 4.950 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.442 6.094 -2.169 1.00 0.00 H new ATOM 1149 N SER A 75 2.321 7.782 -3.949 1.00 0.00 N ATOM 1150 CA SER A 75 3.594 7.091 -4.053 1.00 0.00 C ATOM 1151 C SER A 75 4.439 7.410 -2.851 1.00 0.00 C ATOM 1152 O SER A 75 4.684 8.568 -2.564 1.00 0.00 O ATOM 1153 CB SER A 75 4.332 7.517 -5.315 1.00 0.00 C ATOM 1154 OG SER A 75 3.619 7.159 -6.481 1.00 0.00 O ATOM 0 H SER A 75 2.381 8.747 -3.623 1.00 0.00 H new ATOM 0 HA SER A 75 3.406 6.018 -4.100 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.487 8.596 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.318 7.053 -5.334 1.00 0.00 H new ATOM 0 HG SER A 75 4.120 7.448 -7.272 1.00 0.00 H new ATOM 1160 N PHE A 76 4.892 6.401 -2.162 1.00 0.00 N ATOM 1161 CA PHE A 76 5.713 6.603 -0.993 1.00 0.00 C ATOM 1162 C PHE A 76 6.654 5.437 -0.809 1.00 0.00 C ATOM 1163 O PHE A 76 6.399 4.354 -1.326 1.00 0.00 O ATOM 1164 CB PHE A 76 4.849 6.926 0.227 1.00 0.00 C ATOM 1165 CG PHE A 76 4.204 5.768 0.932 1.00 0.00 C ATOM 1166 CD1 PHE A 76 3.070 5.157 0.422 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.735 5.302 2.123 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.481 4.097 1.088 1.00 0.00 C ATOM 1169 CE2 PHE A 76 4.154 4.245 2.791 1.00 0.00 C ATOM 1170 CZ PHE A 76 3.025 3.639 2.272 1.00 0.00 C ATOM 0 H PHE A 76 4.708 5.424 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 76 6.350 7.477 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.468 7.460 0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.062 7.612 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.642 5.511 -0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.616 5.773 2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.597 3.628 0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.580 3.891 3.718 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.569 2.809 2.791 1.00 0.00 H new ATOM 1180 N GLU A 77 7.735 5.651 -0.094 1.00 0.00 N ATOM 1181 CA GLU A 77 8.712 4.599 0.100 1.00 0.00 C ATOM 1182 C GLU A 77 8.783 4.251 1.559 1.00 0.00 C ATOM 1183 O GLU A 77 8.893 5.124 2.418 1.00 0.00 O ATOM 1184 CB GLU A 77 10.107 5.035 -0.348 1.00 0.00 C ATOM 1185 CG GLU A 77 10.422 4.795 -1.813 1.00 0.00 C ATOM 1186 CD GLU A 77 11.855 5.166 -2.141 1.00 0.00 C ATOM 1187 OE1 GLU A 77 12.768 4.716 -1.410 1.00 0.00 O ATOM 1188 OE2 GLU A 77 12.074 5.937 -3.096 1.00 0.00 O ATOM 0 H GLU A 77 7.961 6.536 0.360 1.00 0.00 H new ATOM 0 HA GLU A 77 8.399 3.743 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.222 6.098 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.846 4.509 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.252 3.746 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.743 5.380 -2.433 1.00 0.00 H new ATOM 1195 N TRP A 78 8.704 2.956 1.824 1.00 0.00 N ATOM 1196 CA TRP A 78 8.522 2.479 3.186 1.00 0.00 C ATOM 1197 C TRP A 78 9.833 2.047 3.850 1.00 0.00 C ATOM 1198 O TRP A 78 10.470 1.081 3.430 1.00 0.00 O ATOM 1199 CB TRP A 78 7.498 1.342 3.243 1.00 0.00 C ATOM 1200 CG TRP A 78 6.384 1.616 4.212 1.00 0.00 C ATOM 1201 CD1 TRP A 78 6.436 2.423 5.314 1.00 0.00 C ATOM 1202 CD2 TRP A 78 5.054 1.081 4.173 1.00 0.00 C ATOM 1203 NE1 TRP A 78 5.221 2.436 5.952 1.00 0.00 N ATOM 1204 CE2 TRP A 78 4.356 1.616 5.275 1.00 0.00 C ATOM 1205 CE3 TRP A 78 4.385 0.206 3.314 1.00 0.00 C ATOM 1206 CZ2 TRP A 78 3.023 1.302 5.537 1.00 0.00 C ATOM 1207 CZ3 TRP A 78 3.063 -0.106 3.575 1.00 0.00 C ATOM 1208 CH2 TRP A 78 2.396 0.442 4.677 1.00 0.00 C ATOM 0 H TRP A 78 8.763 2.221 1.119 1.00 0.00 H new ATOM 0 HA TRP A 78 8.141 3.328 3.754 1.00 0.00 H new ATOM 0 HB2 TRP A 78 7.079 1.185 2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 78 8.002 0.418 3.526 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.308 2.972 5.637 1.00 0.00 H new ATOM 0 HE1 TRP A 78 4.998 2.969 6.793 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.891 -0.220 2.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.505 1.722 6.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 2.537 -0.783 2.918 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.363 0.180 4.852 1.00 0.00 H new ATOM 1219 N ASP A 79 10.202 2.810 4.879 1.00 0.00 N ATOM 1220 CA ASP A 79 11.318 2.521 5.799 1.00 0.00 C ATOM 1221 C ASP A 79 12.581 1.986 5.128 1.00 0.00 C ATOM 1222 O ASP A 79 13.203 2.648 4.297 1.00 0.00 O ATOM 1223 CB ASP A 79 10.886 1.552 6.913 1.00 0.00 C ATOM 1224 CG ASP A 79 11.797 1.645 8.133 1.00 0.00 C ATOM 1225 OD1 ASP A 79 11.966 2.758 8.674 1.00 0.00 O ATOM 1226 OD2 ASP A 79 12.362 0.605 8.543 1.00 0.00 O ATOM 0 H ASP A 79 9.719 3.679 5.109 1.00 0.00 H new ATOM 0 HA ASP A 79 11.579 3.493 6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.860 1.773 7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.895 0.531 6.530 1.00 0.00 H new ATOM 1231 N THR A 80 12.934 0.777 5.523 1.00 0.00 N ATOM 1232 CA THR A 80 14.227 0.182 5.232 1.00 0.00 C ATOM 1233 C THR A 80 14.318 -0.347 3.812 1.00 0.00 C ATOM 1234 O THR A 80 15.370 -0.276 3.170 1.00 0.00 O ATOM 1235 CB THR A 80 14.510 -0.948 6.242 1.00 0.00 C ATOM 1236 OG1 THR A 80 15.735 -1.615 5.930 1.00 0.00 O ATOM 1237 CG2 THR A 80 13.353 -1.940 6.271 1.00 0.00 C ATOM 0 H THR A 80 12.320 0.169 6.065 1.00 0.00 H new ATOM 0 HA THR A 80 14.980 0.965 5.325 1.00 0.00 H new ATOM 0 HB THR A 80 14.609 -0.502 7.232 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.896 -2.327 6.584 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.570 -2.731 6.989 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.439 -1.424 6.564 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.222 -2.375 5.280 1.00 0.00 H new ATOM 1245 N GLU A 81 13.223 -0.872 3.329 1.00 0.00 N ATOM 1246 CA GLU A 81 13.165 -1.397 1.985 1.00 0.00 C ATOM 1247 C GLU A 81 12.910 -0.246 1.032 1.00 0.00 C ATOM 1248 O GLU A 81 12.629 0.873 1.462 1.00 0.00 O ATOM 1249 CB GLU A 81 12.082 -2.454 1.875 1.00 0.00 C ATOM 1250 CG GLU A 81 12.176 -3.496 2.968 1.00 0.00 C ATOM 1251 CD GLU A 81 11.260 -3.220 4.142 1.00 0.00 C ATOM 1252 OE1 GLU A 81 10.807 -2.068 4.292 1.00 0.00 O ATOM 1253 OE2 GLU A 81 10.991 -4.159 4.917 1.00 0.00 O ATOM 0 H GLU A 81 12.350 -0.949 3.850 1.00 0.00 H new ATOM 0 HA GLU A 81 14.110 -1.875 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.104 -1.974 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.154 -2.943 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.934 -4.473 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.205 -3.547 3.324 1.00 0.00 H new ATOM 1260 N GLY A 82 12.998 -0.498 -0.250 1.00 0.00 N ATOM 1261 CA GLY A 82 12.895 0.584 -1.187 1.00 0.00 C ATOM 1262 C GLY A 82 11.576 0.583 -1.900 1.00 0.00 C ATOM 1263 O GLY A 82 11.527 0.822 -3.101 1.00 0.00 O ATOM 0 H GLY A 82 13.138 -1.422 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.024 1.531 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.702 0.511 -1.916 1.00 0.00 H new ATOM 1267 N TRP A 83 10.489 0.307 -1.184 1.00 0.00 N ATOM 1268 CA TRP A 83 9.207 0.233 -1.861 1.00 0.00 C ATOM 1269 C TRP A 83 8.783 1.610 -2.254 1.00 0.00 C ATOM 1270 O TRP A 83 8.442 2.405 -1.393 1.00 0.00 O ATOM 1271 CB TRP A 83 8.049 -0.287 -1.005 1.00 0.00 C ATOM 1272 CG TRP A 83 8.386 -1.164 0.161 1.00 0.00 C ATOM 1273 CD1 TRP A 83 9.076 -0.788 1.274 1.00 0.00 C ATOM 1274 CD2 TRP A 83 7.994 -2.527 0.375 1.00 0.00 C ATOM 1275 NE1 TRP A 83 9.157 -1.829 2.156 1.00 0.00 N ATOM 1276 CE2 TRP A 83 8.508 -2.910 1.630 1.00 0.00 C ATOM 1277 CE3 TRP A 83 7.272 -3.468 -0.368 1.00 0.00 C ATOM 1278 CZ2 TRP A 83 8.322 -4.180 2.157 1.00 0.00 C ATOM 1279 CZ3 TRP A 83 7.092 -4.735 0.161 1.00 0.00 C ATOM 1280 CH2 TRP A 83 7.616 -5.078 1.415 1.00 0.00 C ATOM 0 H TRP A 83 10.470 0.138 -0.178 1.00 0.00 H new ATOM 0 HA TRP A 83 9.378 -0.455 -2.689 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.497 0.574 -0.629 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.372 -0.840 -1.656 1.00 0.00 H new ATOM 0 HD1 TRP A 83 9.499 0.193 1.436 1.00 0.00 H new ATOM 0 HE1 TRP A 83 9.626 -1.803 3.061 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.864 -3.211 -1.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 8.724 -4.448 3.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 6.538 -5.472 -0.402 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.457 -6.074 1.801 1.00 0.00 H new ATOM 1291 N VAL A 84 8.745 1.858 -3.538 1.00 0.00 N ATOM 1292 CA VAL A 84 8.010 2.978 -4.064 1.00 0.00 C ATOM 1293 C VAL A 84 6.610 2.465 -4.330 1.00 0.00 C ATOM 1294 O VAL A 84 6.250 2.138 -5.459 1.00 0.00 O ATOM 1295 CB VAL A 84 8.622 3.543 -5.360 1.00 0.00 C ATOM 1296 CG1 VAL A 84 7.958 4.865 -5.746 1.00 0.00 C ATOM 1297 CG2 VAL A 84 10.128 3.718 -5.220 1.00 0.00 C ATOM 0 H VAL A 84 9.219 1.294 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 84 8.028 3.801 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 84 8.437 2.824 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.407 5.244 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.892 4.704 -5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.101 5.591 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.536 4.118 -6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.340 4.408 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.588 2.753 -5.008 1.00 0.00 H new ATOM 1307 N VAL A 85 5.887 2.262 -3.249 1.00 0.00 N ATOM 1308 CA VAL A 85 4.553 1.737 -3.296 1.00 0.00 C ATOM 1309 C VAL A 85 3.569 2.837 -3.672 1.00 0.00 C ATOM 1310 O VAL A 85 3.492 3.878 -3.019 1.00 0.00 O ATOM 1311 CB VAL A 85 4.186 1.065 -1.951 1.00 0.00 C ATOM 1312 CG1 VAL A 85 4.934 -0.242 -1.811 1.00 0.00 C ATOM 1313 CG2 VAL A 85 4.512 1.960 -0.764 1.00 0.00 C ATOM 0 H VAL A 85 6.220 2.462 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 85 4.498 0.968 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 85 3.111 0.885 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.672 -0.711 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.663 -0.906 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.007 -0.052 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.239 1.452 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.580 2.180 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.951 2.891 -0.845 1.00 0.00 H new ATOM 1323 N THR A 86 2.839 2.600 -4.746 1.00 0.00 N ATOM 1324 CA THR A 86 1.989 3.610 -5.332 1.00 0.00 C ATOM 1325 C THR A 86 0.532 3.153 -5.375 1.00 0.00 C ATOM 1326 O THR A 86 0.233 2.019 -5.700 1.00 0.00 O ATOM 1327 CB THR A 86 2.478 3.963 -6.759 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.825 4.454 -6.687 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.580 5.011 -7.431 1.00 0.00 C ATOM 0 H THR A 86 2.821 1.704 -5.233 1.00 0.00 H new ATOM 0 HA THR A 86 2.046 4.499 -4.705 1.00 0.00 H new ATOM 0 HB THR A 86 2.435 3.058 -7.365 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.821 5.431 -6.757 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.959 5.229 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.563 4.625 -7.505 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.579 5.924 -6.836 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.378 4.032 -5.023 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.785 3.718 -5.108 1.00 0.00 C ATOM 1339 C PHE A 87 -2.418 4.571 -6.196 1.00 0.00 C ATOM 1340 O PHE A 87 -2.195 5.778 -6.253 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.471 3.945 -3.744 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.907 3.067 -2.642 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.336 1.836 -2.933 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.911 3.490 -1.323 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.789 1.047 -1.933 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.358 2.711 -0.326 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.799 1.484 -0.636 1.00 0.00 C ATOM 0 H PHE A 87 -0.169 4.968 -4.676 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.914 2.667 -5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.362 4.991 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.539 3.751 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.318 1.487 -3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.353 4.443 -1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.355 0.088 -2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.362 3.060 0.696 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.371 0.872 0.144 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.184 3.944 -7.069 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.903 4.663 -8.101 1.00 0.00 C ATOM 1359 C GLN A 88 -5.394 4.486 -7.855 1.00 0.00 C ATOM 1360 O GLN A 88 -5.902 3.368 -7.803 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.511 4.113 -9.465 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.344 4.828 -10.104 1.00 0.00 C ATOM 1363 CD GLN A 88 -2.726 6.111 -10.820 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -3.123 6.086 -11.986 1.00 0.00 O ATOM 1365 NE2 GLN A 88 -2.569 7.235 -10.155 1.00 0.00 N ATOM 0 H GLN A 88 -3.324 2.934 -7.083 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.657 5.724 -8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.264 3.056 -9.362 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.371 4.176 -10.131 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.607 5.058 -9.335 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.864 4.156 -10.815 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.238 7.215 -9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.778 8.127 -10.604 1.00 0.00 H new ATOM 1374 N LEU A 89 -6.086 5.586 -7.689 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.491 5.546 -7.324 1.00 0.00 C ATOM 1376 C LEU A 89 -8.332 6.343 -8.322 1.00 0.00 C ATOM 1377 O LEU A 89 -7.893 7.373 -8.836 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.672 5.970 -5.847 1.00 0.00 C ATOM 1379 CG LEU A 89 -9.098 5.877 -5.258 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -9.980 7.030 -5.704 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -9.746 4.552 -5.629 1.00 0.00 C ATOM 0 H LEU A 89 -5.703 6.525 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.864 4.524 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.012 5.355 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.331 7.000 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.999 5.938 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.972 6.921 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.540 7.972 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.062 7.026 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.749 4.506 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.807 4.468 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.147 3.731 -5.234 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.523 5.846 -8.617 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.407 6.488 -9.575 1.00 0.00 C ATOM 1395 C GLU A 90 -11.614 7.076 -8.878 1.00 0.00 C ATOM 1396 O GLU A 90 -12.281 6.393 -8.095 1.00 0.00 O ATOM 1397 CB GLU A 90 -10.905 5.476 -10.599 1.00 0.00 C ATOM 1398 CG GLU A 90 -12.171 5.920 -11.320 1.00 0.00 C ATOM 1399 CD GLU A 90 -11.913 7.026 -12.325 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -11.406 8.099 -11.932 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -12.209 6.823 -13.521 1.00 0.00 O ATOM 0 H GLU A 90 -9.901 4.994 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.839 7.277 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.120 5.298 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.095 4.527 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.612 5.065 -11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.901 6.264 -10.587 1.00 0.00 H new ATOM 1408 N ASP A 91 -11.929 8.310 -9.248 1.00 0.00 N ATOM 1409 CA ASP A 91 -13.049 9.028 -8.655 1.00 0.00 C ATOM 1410 C ASP A 91 -14.263 8.822 -9.468 1.00 0.00 C ATOM 1411 O ASP A 91 -14.367 9.282 -10.606 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.868 10.540 -8.537 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.191 11.284 -8.443 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.860 11.196 -7.399 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -14.561 11.973 -9.416 1.00 0.00 O ATOM 0 H ASP A 91 -11.422 8.837 -9.959 1.00 0.00 H new ATOM 0 HA ASP A 91 -13.123 8.619 -7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.268 10.762 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.312 10.904 -9.401 1.00 0.00 H new ATOM 1420 N LEU A 92 -15.158 8.124 -8.892 1.00 0.00 N ATOM 1421 CA LEU A 92 -16.482 8.126 -9.346 1.00 0.00 C ATOM 1422 C LEU A 92 -17.340 8.540 -8.167 1.00 0.00 C ATOM 1423 O LEU A 92 -17.172 8.025 -7.067 1.00 0.00 O ATOM 1424 CB LEU A 92 -16.850 6.740 -9.853 1.00 0.00 C ATOM 1425 CG LEU A 92 -16.125 6.216 -11.099 1.00 0.00 C ATOM 1426 CD1 LEU A 92 -16.865 5.024 -11.673 1.00 0.00 C ATOM 1427 CD2 LEU A 92 -15.969 7.294 -12.160 1.00 0.00 C ATOM 0 H LEU A 92 -14.987 7.528 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 92 -16.631 8.817 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.678 6.031 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.920 6.733 -10.061 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.126 5.908 -10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.340 4.661 -12.557 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -16.911 4.230 -10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -17.877 5.322 -11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.451 6.881 -13.025 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -16.953 7.651 -12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.391 8.124 -11.753 1.00 0.00 H new ATOM 1439 N GLY A 93 -18.124 9.583 -8.372 1.00 0.00 N ATOM 1440 CA GLY A 93 -19.313 9.824 -7.522 1.00 0.00 C ATOM 1441 C GLY A 93 -20.136 8.546 -7.431 1.00 0.00 C ATOM 1442 O GLY A 93 -20.885 8.297 -6.487 1.00 0.00 O ATOM 0 H GLY A 93 -17.976 10.277 -9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -19.004 10.142 -6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -19.916 10.629 -7.941 1.00 0.00 H new ATOM 1446 N GLU A 94 -19.984 7.798 -8.500 1.00 0.00 N ATOM 1447 CA GLU A 94 -20.096 6.350 -8.570 1.00 0.00 C ATOM 1448 C GLU A 94 -19.174 5.716 -7.522 1.00 0.00 C ATOM 1449 O GLU A 94 -18.899 6.282 -6.470 1.00 0.00 O ATOM 1450 CB GLU A 94 -19.716 5.852 -9.957 1.00 0.00 C ATOM 1451 CG GLU A 94 -20.329 4.506 -10.324 1.00 0.00 C ATOM 1452 CD GLU A 94 -21.825 4.457 -10.115 1.00 0.00 C ATOM 1453 OE1 GLU A 94 -22.263 4.248 -8.965 1.00 0.00 O ATOM 1454 OE2 GLU A 94 -22.573 4.602 -11.103 1.00 0.00 O ATOM 0 H GLU A 94 -19.764 8.208 -9.407 1.00 0.00 H new ATOM 0 HA GLU A 94 -21.129 6.066 -8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.025 6.593 -10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -18.631 5.774 -10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.107 4.285 -11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.859 3.725 -9.726 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.802 4.490 -7.759 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.961 3.767 -6.854 1.00 0.00 C ATOM 1463 C LYS A 95 -16.552 3.836 -7.430 1.00 0.00 C ATOM 1464 O LYS A 95 -16.364 4.354 -8.518 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.439 2.318 -6.828 1.00 0.00 C ATOM 1466 CG LYS A 95 -18.584 1.710 -8.228 1.00 0.00 C ATOM 1467 CD LYS A 95 -17.339 0.952 -8.665 1.00 0.00 C ATOM 1468 CE LYS A 95 -16.513 1.721 -9.696 1.00 0.00 C ATOM 1469 NZ LYS A 95 -17.055 1.610 -11.076 1.00 0.00 N ATOM 0 H LYS A 95 -19.076 3.964 -8.589 1.00 0.00 H new ATOM 0 HA LYS A 95 -17.985 4.173 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.736 1.719 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.399 2.267 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -19.440 1.035 -8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.793 2.503 -8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.720 0.743 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.633 -0.010 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.474 2.772 -9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.489 1.349 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.454 2.151 -11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -17.068 0.611 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.023 1.990 -11.101 1.00 0.00 H new ATOM 1483 N THR A 96 -15.563 3.319 -6.748 1.00 0.00 N ATOM 1484 CA THR A 96 -14.211 3.766 -6.969 1.00 0.00 C ATOM 1485 C THR A 96 -13.391 2.702 -7.657 1.00 0.00 C ATOM 1486 O THR A 96 -13.467 1.520 -7.330 1.00 0.00 O ATOM 1487 CB THR A 96 -13.568 4.108 -5.615 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.356 3.558 -4.563 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.438 5.610 -5.413 1.00 0.00 C ATOM 0 H THR A 96 -15.666 2.593 -6.039 1.00 0.00 H new ATOM 0 HA THR A 96 -14.237 4.646 -7.611 1.00 0.00 H new ATOM 0 HB THR A 96 -12.566 3.679 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 96 -15.172 4.089 -4.454 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.979 5.808 -4.444 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.815 6.031 -6.203 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.426 6.069 -5.447 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.614 3.119 -8.630 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.831 2.158 -9.366 1.00 0.00 C ATOM 1499 C GLY A 97 -10.433 2.107 -8.818 1.00 0.00 C ATOM 1500 O GLY A 97 -9.705 3.091 -8.900 1.00 0.00 O ATOM 0 H GLY A 97 -12.509 4.090 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.293 1.173 -9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.807 2.428 -10.422 1.00 0.00 H new ATOM 1504 N PHE A 98 -10.036 0.985 -8.235 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.746 0.956 -7.589 1.00 0.00 C ATOM 1506 C PHE A 98 -7.717 0.192 -8.399 1.00 0.00 C ATOM 1507 O PHE A 98 -7.927 -0.953 -8.801 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.788 0.379 -6.178 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.587 0.837 -5.406 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.486 2.162 -5.016 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.551 -0.025 -5.106 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.381 2.624 -4.337 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.440 0.428 -4.421 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.354 1.753 -4.035 1.00 0.00 C ATOM 0 H PHE A 98 -10.570 0.117 -8.199 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.451 2.003 -7.520 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.700 0.697 -5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.810 -0.710 -6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.289 2.846 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.609 -1.060 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.318 3.661 -4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.637 -0.255 -4.186 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.485 2.105 -3.499 1.00 0.00 H new ATOM 1524 N THR A 99 -6.605 0.847 -8.637 1.00 0.00 N ATOM 1525 CA THR A 99 -5.459 0.217 -9.248 1.00 0.00 C ATOM 1526 C THR A 99 -4.274 0.403 -8.328 1.00 0.00 C ATOM 1527 O THR A 99 -3.857 1.522 -8.069 1.00 0.00 O ATOM 1528 CB THR A 99 -5.161 0.815 -10.635 1.00 0.00 C ATOM 1529 OG1 THR A 99 -6.356 0.796 -11.429 1.00 0.00 O ATOM 1530 CG2 THR A 99 -4.071 0.027 -11.341 1.00 0.00 C ATOM 0 H THR A 99 -6.470 1.833 -8.412 1.00 0.00 H new ATOM 0 HA THR A 99 -5.664 -0.843 -9.395 1.00 0.00 H new ATOM 0 HB THR A 99 -4.817 1.841 -10.504 1.00 0.00 H new ATOM 0 HG1 THR A 99 -6.168 1.178 -12.312 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.878 0.468 -12.319 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.159 0.053 -10.745 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.393 -1.007 -11.467 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.727 -0.664 -7.813 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.658 -0.517 -6.872 1.00 0.00 C ATOM 1540 C LEU A 100 -1.337 -0.884 -7.490 1.00 0.00 C ATOM 1541 O LEU A 100 -1.217 -1.876 -8.194 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.903 -1.345 -5.616 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.124 -0.861 -4.405 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.795 -1.308 -3.136 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.690 -1.344 -4.454 1.00 0.00 C ATOM 0 H LEU A 100 -3.998 -1.624 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.624 0.534 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.968 -1.329 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.637 -2.383 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.110 0.229 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.224 -0.953 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.804 -0.899 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.844 -2.397 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.154 -0.984 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.673 -2.434 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.208 -0.963 -5.354 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.349 -0.065 -7.214 1.00 0.00 N ATOM 1558 CA ILE A 101 0.990 -0.309 -7.669 1.00 0.00 C ATOM 1559 C ILE A 101 1.882 -0.569 -6.460 1.00 0.00 C ATOM 1560 O ILE A 101 1.965 0.229 -5.539 1.00 0.00 O ATOM 1561 CB ILE A 101 1.563 0.916 -8.426 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.514 1.579 -9.353 1.00 0.00 C ATOM 1563 CG2 ILE A 101 2.803 0.520 -9.224 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.439 2.514 -8.649 1.00 0.00 C ATOM 0 H ILE A 101 -0.456 0.789 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 101 0.966 -1.165 -8.343 1.00 0.00 H new ATOM 0 HB ILE A 101 1.842 1.655 -7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.036 2.132 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.062 0.797 -9.847 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.192 1.393 -9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.565 0.135 -8.546 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.539 -0.251 -9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.138 2.933 -9.372 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.991 1.964 -7.887 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.124 3.321 -8.179 1.00 0.00 H new ATOM 1576 N HIS A 102 2.533 -1.683 -6.438 1.00 0.00 N ATOM 1577 CA HIS A 102 3.587 -1.898 -5.485 1.00 0.00 C ATOM 1578 C HIS A 102 4.833 -2.109 -6.289 1.00 0.00 C ATOM 1579 O HIS A 102 4.970 -3.098 -7.001 1.00 0.00 O ATOM 1580 CB HIS A 102 3.255 -3.092 -4.589 1.00 0.00 C ATOM 1581 CG HIS A 102 2.762 -2.696 -3.229 1.00 0.00 C ATOM 1582 ND1 HIS A 102 3.012 -3.451 -2.098 1.00 0.00 N ATOM 1583 CD2 HIS A 102 2.059 -1.602 -2.807 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.505 -2.839 -1.043 1.00 0.00 C ATOM 1585 NE2 HIS A 102 1.923 -1.720 -1.444 1.00 0.00 N ATOM 0 H HIS A 102 2.358 -2.466 -7.068 1.00 0.00 H new ATOM 0 HA HIS A 102 3.717 -1.051 -4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.497 -3.704 -5.078 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.144 -3.713 -4.479 1.00 0.00 H new ATOM 0 HD1 HIS A 102 3.510 -4.341 -2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.683 -0.800 -3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.557 -3.193 -0.024 1.00 0.00 H new ATOM 1594 N SER A 103 5.720 -1.160 -6.181 1.00 0.00 N ATOM 1595 CA SER A 103 6.890 -1.103 -7.009 1.00 0.00 C ATOM 1596 C SER A 103 8.021 -0.609 -6.149 1.00 0.00 C ATOM 1597 O SER A 103 7.764 0.003 -5.117 1.00 0.00 O ATOM 1598 CB SER A 103 6.624 -0.160 -8.186 1.00 0.00 C ATOM 1599 OG SER A 103 5.575 -0.653 -8.998 1.00 0.00 O ATOM 0 H SER A 103 5.650 -0.397 -5.508 1.00 0.00 H new ATOM 0 HA SER A 103 7.146 -2.080 -7.420 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.366 0.831 -7.813 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.530 -0.050 -8.782 1.00 0.00 H new ATOM 0 HG SER A 103 5.420 -0.035 -9.743 1.00 0.00 H new ATOM 1605 N GLY A 104 9.248 -0.855 -6.548 1.00 0.00 N ATOM 1606 CA GLY A 104 10.354 -0.596 -5.656 1.00 0.00 C ATOM 1607 C GLY A 104 11.576 -0.020 -6.348 1.00 0.00 C ATOM 1608 O GLY A 104 11.814 -0.274 -7.531 1.00 0.00 O ATOM 0 H GLY A 104 9.502 -1.226 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.028 0.096 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.633 -1.525 -5.159 1.00 0.00 H new ATOM 1612 N TRP A 105 12.332 0.767 -5.599 1.00 0.00 N ATOM 1613 CA TRP A 105 13.637 1.247 -6.026 1.00 0.00 C ATOM 1614 C TRP A 105 14.655 0.127 -5.809 1.00 0.00 C ATOM 1615 O TRP A 105 14.397 -0.798 -5.036 1.00 0.00 O ATOM 1616 CB TRP A 105 14.008 2.482 -5.198 1.00 0.00 C ATOM 1617 CG TRP A 105 14.849 3.482 -5.927 1.00 0.00 C ATOM 1618 CD1 TRP A 105 16.184 3.711 -5.762 1.00 0.00 C ATOM 1619 CD2 TRP A 105 14.402 4.403 -6.928 1.00 0.00 C ATOM 1620 NE1 TRP A 105 16.593 4.719 -6.601 1.00 0.00 N ATOM 1621 CE2 TRP A 105 15.519 5.157 -7.328 1.00 0.00 C ATOM 1622 CE3 TRP A 105 13.165 4.660 -7.527 1.00 0.00 C ATOM 1623 CZ2 TRP A 105 15.436 6.154 -8.297 1.00 0.00 C ATOM 1624 CZ3 TRP A 105 13.085 5.648 -8.489 1.00 0.00 C ATOM 1625 CH2 TRP A 105 14.215 6.384 -8.866 1.00 0.00 C ATOM 0 H TRP A 105 12.056 1.093 -4.673 1.00 0.00 H new ATOM 0 HA TRP A 105 13.625 1.524 -7.080 1.00 0.00 H new ATOM 0 HB2 TRP A 105 13.092 2.970 -4.864 1.00 0.00 H new ATOM 0 HB3 TRP A 105 14.541 2.159 -4.304 1.00 0.00 H new ATOM 0 HD1 TRP A 105 16.824 3.179 -5.074 1.00 0.00 H new ATOM 0 HE1 TRP A 105 17.544 5.082 -6.671 1.00 0.00 H new ATOM 0 HE3 TRP A 105 12.289 4.097 -7.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 16.305 6.725 -8.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 12.135 5.856 -8.958 1.00 0.00 H new ATOM 0 HH2 TRP A 105 14.120 7.149 -9.622 1.00 0.00 H new ATOM 1636 N LYS A 106 15.795 0.186 -6.482 1.00 0.00 N ATOM 1637 CA LYS A 106 16.750 -0.914 -6.412 1.00 0.00 C ATOM 1638 C LYS A 106 17.758 -0.738 -5.282 1.00 0.00 C ATOM 1639 O LYS A 106 18.286 0.353 -5.055 1.00 0.00 O ATOM 1640 CB LYS A 106 17.498 -1.099 -7.738 1.00 0.00 C ATOM 1641 CG LYS A 106 18.358 0.088 -8.146 1.00 0.00 C ATOM 1642 CD LYS A 106 19.391 -0.314 -9.188 1.00 0.00 C ATOM 1643 CE LYS A 106 20.039 0.898 -9.840 1.00 0.00 C ATOM 1644 NZ LYS A 106 19.061 1.678 -10.643 1.00 0.00 N ATOM 0 H LYS A 106 16.079 0.967 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 106 16.160 -1.808 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 106 18.132 -1.983 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 106 16.771 -1.294 -8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 106 17.724 0.880 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 106 18.861 0.494 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 106 20.160 -0.929 -8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 106 18.915 -0.927 -9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 106 20.471 1.538 -9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 106 20.858 0.572 -10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 19.570 2.273 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 18.431 1.026 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 18.497 2.282 -10.012 1.00 0.00 H new ATOM 1658 N GLU A 107 18.003 -1.830 -4.581 1.00 0.00 N ATOM 1659 CA GLU A 107 19.059 -1.919 -3.588 1.00 0.00 C ATOM 1660 C GLU A 107 19.824 -3.215 -3.855 1.00 0.00 C ATOM 1661 O GLU A 107 19.212 -4.183 -4.294 1.00 0.00 O ATOM 1662 CB GLU A 107 18.456 -1.902 -2.171 1.00 0.00 C ATOM 1663 CG GLU A 107 19.485 -1.986 -1.052 1.00 0.00 C ATOM 1664 CD GLU A 107 18.901 -1.688 0.315 1.00 0.00 C ATOM 1665 OE1 GLU A 107 18.244 -2.573 0.901 1.00 0.00 O ATOM 1666 OE2 GLU A 107 19.118 -0.565 0.826 1.00 0.00 O ATOM 0 H GLU A 107 17.467 -2.692 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 107 19.737 -1.068 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.875 -0.988 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 107 17.762 -2.737 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 107 19.924 -2.984 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 107 20.294 -1.284 -1.256 1.00 0.00 H new ATOM 1673 N PRO A 108 21.166 -3.231 -3.666 1.00 0.00 N ATOM 1674 CA PRO A 108 22.003 -4.425 -3.897 1.00 0.00 C ATOM 1675 C PRO A 108 21.357 -5.720 -3.400 1.00 0.00 C ATOM 1676 O PRO A 108 20.733 -5.736 -2.338 1.00 0.00 O ATOM 1677 CB PRO A 108 23.263 -4.105 -3.103 1.00 0.00 C ATOM 1678 CG PRO A 108 23.385 -2.622 -3.190 1.00 0.00 C ATOM 1679 CD PRO A 108 21.979 -2.080 -3.232 1.00 0.00 C ATOM 0 HA PRO A 108 22.174 -4.608 -4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 108 23.177 -4.437 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 108 24.136 -4.602 -3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 108 23.928 -2.226 -2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 108 23.940 -2.330 -4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 108 21.663 -1.714 -2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 108 21.893 -1.246 -3.928 1.00 0.00 H new ATOM 1687 N ASN A 109 21.559 -6.806 -4.168 1.00 0.00 N ATOM 1688 CA ASN A 109 20.784 -8.052 -4.022 1.00 0.00 C ATOM 1689 C ASN A 109 19.394 -7.795 -4.576 1.00 0.00 C ATOM 1690 O ASN A 109 19.154 -6.726 -5.122 1.00 0.00 O ATOM 1691 CB ASN A 109 20.698 -8.523 -2.562 1.00 0.00 C ATOM 1692 CG ASN A 109 22.053 -8.838 -1.967 1.00 0.00 C ATOM 1693 OD1 ASN A 109 22.954 -9.311 -2.658 1.00 0.00 O ATOM 1694 ND2 ASN A 109 22.212 -8.564 -0.682 1.00 0.00 N ATOM 0 H ASN A 109 22.262 -6.845 -4.906 1.00 0.00 H new ATOM 0 HA ASN A 109 21.286 -8.849 -4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 109 20.214 -7.751 -1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 109 20.067 -9.410 -2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 109 23.108 -8.745 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 109 21.439 -8.172 -0.145 1.00 0.00 H new ATOM 1701 N GLN A 110 18.460 -8.734 -4.494 1.00 0.00 N ATOM 1702 CA GLN A 110 17.123 -8.343 -4.868 1.00 0.00 C ATOM 1703 C GLN A 110 16.050 -8.828 -3.912 1.00 0.00 C ATOM 1704 O GLN A 110 15.699 -10.004 -3.842 1.00 0.00 O ATOM 1705 CB GLN A 110 16.806 -8.805 -6.293 1.00 0.00 C ATOM 1706 CG GLN A 110 17.073 -10.282 -6.559 1.00 0.00 C ATOM 1707 CD GLN A 110 16.564 -10.731 -7.918 1.00 0.00 C ATOM 1708 OE1 GLN A 110 16.223 -11.899 -8.114 1.00 0.00 O ATOM 1709 NE2 GLN A 110 16.476 -9.801 -8.858 1.00 0.00 N ATOM 0 H GLN A 110 18.592 -9.700 -4.194 1.00 0.00 H new ATOM 0 HA GLN A 110 17.108 -7.254 -4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.757 -8.596 -6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.395 -8.212 -6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.145 -10.471 -6.496 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.597 -10.879 -5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.768 -8.844 -8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.116 -10.042 -9.781 1.00 0.00 H new ATOM 1718 N VAL A 111 15.540 -7.839 -3.216 1.00 0.00 N ATOM 1719 CA VAL A 111 14.245 -7.759 -2.631 1.00 0.00 C ATOM 1720 C VAL A 111 13.964 -6.266 -2.618 1.00 0.00 C ATOM 1721 O VAL A 111 14.771 -5.511 -3.154 1.00 0.00 O ATOM 1722 CB VAL A 111 14.140 -8.367 -1.222 1.00 0.00 C ATOM 1723 CG1 VAL A 111 14.790 -7.489 -0.165 1.00 0.00 C ATOM 1724 CG2 VAL A 111 12.682 -8.632 -0.905 1.00 0.00 C ATOM 0 H VAL A 111 16.083 -6.995 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 111 13.521 -8.345 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 111 14.690 -9.308 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 111 14.690 -7.961 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 111 15.847 -7.360 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 111 14.300 -6.515 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.599 -9.063 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 111 12.125 -7.696 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.271 -9.328 -1.636 1.00 0.00 H new ATOM 1734 N ILE A 112 12.857 -5.822 -2.068 1.00 0.00 N ATOM 1735 CA ILE A 112 12.633 -4.382 -1.936 1.00 0.00 C ATOM 1736 C ILE A 112 13.785 -3.717 -1.173 1.00 0.00 C ATOM 1737 O ILE A 112 14.173 -2.595 -1.470 1.00 0.00 O ATOM 1738 CB ILE A 112 11.333 -4.062 -1.194 1.00 0.00 C ATOM 1739 CG1 ILE A 112 10.312 -5.165 -1.406 1.00 0.00 C ATOM 1740 CG2 ILE A 112 10.793 -2.747 -1.713 1.00 0.00 C ATOM 1741 CD1 ILE A 112 9.936 -5.364 -2.848 1.00 0.00 C ATOM 0 H ILE A 112 12.107 -6.413 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 112 12.570 -3.993 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 112 11.532 -3.988 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.710 -6.099 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.414 -4.933 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.866 -2.504 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.525 -1.958 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.599 -2.830 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.203 -6.167 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.508 -4.443 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.824 -5.627 -3.423 1.00 0.00 H new ATOM 1753 N GLY A 113 14.309 -4.431 -0.191 1.00 0.00 N ATOM 1754 CA GLY A 113 15.434 -3.951 0.596 1.00 0.00 C ATOM 1755 C GLY A 113 15.806 -4.963 1.659 1.00 0.00 C ATOM 1756 O GLY A 113 16.702 -5.782 1.471 1.00 0.00 O ATOM 0 H GLY A 113 13.970 -5.353 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 113 16.289 -3.767 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 113 15.179 -3.000 1.064 1.00 0.00 H new ATOM 1760 N LYS A 114 15.092 -4.924 2.769 1.00 0.00 N ATOM 1761 CA LYS A 114 15.176 -5.969 3.784 1.00 0.00 C ATOM 1762 C LYS A 114 13.783 -6.549 4.008 1.00 0.00 C ATOM 1763 O LYS A 114 13.449 -7.017 5.090 1.00 0.00 O ATOM 1764 CB LYS A 114 15.750 -5.425 5.099 1.00 0.00 C ATOM 1765 CG LYS A 114 17.264 -5.564 5.232 1.00 0.00 C ATOM 1766 CD LYS A 114 18.021 -4.729 4.207 1.00 0.00 C ATOM 1767 CE LYS A 114 17.771 -3.243 4.398 1.00 0.00 C ATOM 1768 NZ LYS A 114 18.576 -2.417 3.461 1.00 0.00 N ATOM 0 H LYS A 114 14.440 -4.173 2.996 1.00 0.00 H new ATOM 0 HA LYS A 114 15.851 -6.750 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 114 15.485 -4.372 5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 114 15.275 -5.945 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 114 17.566 -5.263 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 114 17.540 -6.612 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 114 19.089 -4.932 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 114 17.717 -5.023 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 114 16.712 -3.032 4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 114 18.011 -2.964 5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 18.661 -1.451 3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 19.524 -2.833 3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 18.107 -2.389 2.533 1.00 0.00 H new ATOM 1782 N ALA A 115 12.990 -6.515 2.940 1.00 0.00 N ATOM 1783 CA ALA A 115 11.566 -6.842 2.992 1.00 0.00 C ATOM 1784 C ALA A 115 11.307 -8.326 3.208 1.00 0.00 C ATOM 1785 O ALA A 115 10.422 -8.704 3.973 1.00 0.00 O ATOM 1786 CB ALA A 115 10.917 -6.391 1.697 1.00 0.00 C ATOM 0 H ALA A 115 13.318 -6.259 2.009 1.00 0.00 H new ATOM 0 HA ALA A 115 11.135 -6.322 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.853 -6.629 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 115 11.046 -5.315 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 115 11.385 -6.905 0.857 1.00 0.00 H new ATOM 1792 N ASN A 116 12.084 -9.165 2.535 1.00 0.00 N ATOM 1793 CA ASN A 116 11.881 -10.608 2.603 1.00 0.00 C ATOM 1794 C ASN A 116 13.023 -11.334 1.901 1.00 0.00 C ATOM 1795 O ASN A 116 12.929 -12.529 1.629 1.00 0.00 O ATOM 1796 CB ASN A 116 10.548 -10.987 1.938 1.00 0.00 C ATOM 1797 CG ASN A 116 9.911 -12.235 2.530 1.00 0.00 C ATOM 1798 OD1 ASN A 116 9.103 -12.149 3.453 1.00 0.00 O ATOM 1799 ND2 ASN A 116 10.259 -13.400 2.005 1.00 0.00 N ATOM 0 H ASN A 116 12.858 -8.874 1.938 1.00 0.00 H new ATOM 0 HA ASN A 116 11.858 -10.905 3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 116 9.853 -10.153 2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 116 10.714 -11.143 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 116 9.853 -14.264 2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 116 10.933 -13.434 1.240 1.00 0.00 H new ATOM 1806 N GLU A 117 14.093 -10.585 1.590 1.00 0.00 N ATOM 1807 CA GLU A 117 15.249 -11.090 0.827 1.00 0.00 C ATOM 1808 C GLU A 117 14.898 -11.410 -0.632 1.00 0.00 C ATOM 1809 O GLU A 117 15.708 -11.212 -1.526 1.00 0.00 O ATOM 1810 CB GLU A 117 15.854 -12.327 1.497 1.00 0.00 C ATOM 1811 CG GLU A 117 16.450 -12.049 2.861 1.00 0.00 C ATOM 1812 CD GLU A 117 16.989 -13.302 3.510 1.00 0.00 C ATOM 1813 OE1 GLU A 117 17.993 -13.848 3.006 1.00 0.00 O ATOM 1814 OE2 GLU A 117 16.414 -13.744 4.525 1.00 0.00 O ATOM 0 H GLU A 117 14.182 -9.606 1.862 1.00 0.00 H new ATOM 0 HA GLU A 117 15.986 -10.287 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 117 15.082 -13.090 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 117 16.628 -12.739 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 117 17.252 -11.317 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.690 -11.605 3.505 1.00 0.00 H new ATOM 1821 N LYS A 118 13.705 -11.932 -0.846 1.00 0.00 N ATOM 1822 CA LYS A 118 13.229 -12.345 -2.162 1.00 0.00 C ATOM 1823 C LYS A 118 12.415 -11.250 -2.874 1.00 0.00 C ATOM 1824 O LYS A 118 11.247 -11.046 -2.541 1.00 0.00 O ATOM 1825 CB LYS A 118 12.354 -13.572 -1.981 1.00 0.00 C ATOM 1826 CG LYS A 118 13.079 -14.876 -1.675 1.00 0.00 C ATOM 1827 CD LYS A 118 13.783 -14.844 -0.327 1.00 0.00 C ATOM 1828 CE LYS A 118 14.582 -16.111 -0.070 1.00 0.00 C ATOM 1829 NZ LYS A 118 15.701 -16.276 -1.034 1.00 0.00 N ATOM 0 H LYS A 118 13.025 -12.085 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 118 14.099 -12.553 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 118 11.649 -13.374 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 118 11.767 -13.711 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 118 12.364 -15.698 -1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 118 13.810 -15.075 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 118 14.448 -13.982 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 118 13.045 -14.715 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 118 14.980 -16.088 0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 118 13.920 -16.975 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 16.353 -17.008 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 15.322 -16.560 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 16.212 -15.375 -1.131 1.00 0.00 H new ATOM 1843 N SER A 119 13.015 -10.548 -3.844 1.00 0.00 N ATOM 1844 CA SER A 119 12.277 -9.554 -4.644 1.00 0.00 C ATOM 1845 C SER A 119 11.118 -10.192 -5.430 1.00 0.00 C ATOM 1846 O SER A 119 10.035 -9.621 -5.535 1.00 0.00 O ATOM 1847 CB SER A 119 13.225 -8.819 -5.612 1.00 0.00 C ATOM 1848 OG SER A 119 13.817 -9.717 -6.534 1.00 0.00 O ATOM 0 H SER A 119 13.999 -10.646 -4.094 1.00 0.00 H new ATOM 0 HA SER A 119 11.851 -8.835 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.672 -8.051 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.005 -8.310 -5.045 1.00 0.00 H new ATOM 0 HG SER A 119 13.940 -9.267 -7.396 1.00 0.00 H new ATOM 1854 N SER A 120 11.339 -11.360 -5.996 1.00 0.00 N ATOM 1855 CA SER A 120 10.288 -12.037 -6.743 1.00 0.00 C ATOM 1856 C SER A 120 9.177 -12.520 -5.810 1.00 0.00 C ATOM 1857 O SER A 120 7.996 -12.498 -6.153 1.00 0.00 O ATOM 1858 CB SER A 120 10.881 -13.204 -7.529 1.00 0.00 C ATOM 1859 OG SER A 120 11.687 -14.023 -6.693 1.00 0.00 O ATOM 0 H SER A 120 12.227 -11.861 -5.957 1.00 0.00 H new ATOM 0 HA SER A 120 9.846 -11.328 -7.444 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.078 -13.800 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 120 11.479 -12.823 -8.357 1.00 0.00 H new ATOM 0 HG SER A 120 12.055 -14.765 -7.218 1.00 0.00 H new ATOM 1865 N VAL A 121 9.578 -12.957 -4.630 1.00 0.00 N ATOM 1866 CA VAL A 121 8.668 -13.533 -3.651 1.00 0.00 C ATOM 1867 C VAL A 121 7.799 -12.475 -3.010 1.00 0.00 C ATOM 1868 O VAL A 121 6.624 -12.700 -2.746 1.00 0.00 O ATOM 1869 CB VAL A 121 9.485 -14.318 -2.627 1.00 0.00 C ATOM 1870 CG1 VAL A 121 8.688 -14.754 -1.423 1.00 0.00 C ATOM 1871 CG2 VAL A 121 10.097 -15.512 -3.317 1.00 0.00 C ATOM 0 H VAL A 121 10.549 -12.923 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 121 7.980 -14.217 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 121 10.257 -13.653 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.334 -15.306 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.287 -13.877 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.867 -15.395 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.685 -16.085 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.306 -16.142 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.743 -15.173 -4.127 1.00 0.00 H new ATOM 1881 N VAL A 122 8.382 -11.313 -2.780 1.00 0.00 N ATOM 1882 CA VAL A 122 7.642 -10.185 -2.257 1.00 0.00 C ATOM 1883 C VAL A 122 6.607 -9.723 -3.289 1.00 0.00 C ATOM 1884 O VAL A 122 5.487 -9.330 -2.948 1.00 0.00 O ATOM 1885 CB VAL A 122 8.584 -9.057 -1.849 1.00 0.00 C ATOM 1886 CG1 VAL A 122 9.267 -8.520 -3.056 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.853 -7.965 -1.095 1.00 0.00 C ATOM 0 H VAL A 122 9.371 -11.128 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 122 7.109 -10.492 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 122 9.335 -9.458 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.940 -7.714 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.839 -9.315 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.523 -8.137 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.556 -7.179 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.070 -7.547 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.406 -8.382 -0.193 1.00 0.00 H new ATOM 1897 N ARG A 123 6.983 -9.814 -4.565 1.00 0.00 N ATOM 1898 CA ARG A 123 6.042 -9.600 -5.653 1.00 0.00 C ATOM 1899 C ARG A 123 4.946 -10.658 -5.588 1.00 0.00 C ATOM 1900 O ARG A 123 3.789 -10.386 -5.894 1.00 0.00 O ATOM 1901 CB ARG A 123 6.777 -9.636 -7.006 1.00 0.00 C ATOM 1902 CG ARG A 123 5.901 -9.998 -8.197 1.00 0.00 C ATOM 1903 CD ARG A 123 5.932 -11.493 -8.469 1.00 0.00 C ATOM 1904 NE ARG A 123 4.744 -11.961 -9.176 1.00 0.00 N ATOM 1905 CZ ARG A 123 4.754 -12.959 -10.057 1.00 0.00 C ATOM 1906 NH1 ARG A 123 5.910 -13.499 -10.438 1.00 0.00 N ATOM 1907 NH2 ARG A 123 3.613 -13.401 -10.570 1.00 0.00 N ATOM 0 H ARG A 123 7.933 -10.034 -4.865 1.00 0.00 H new ATOM 0 HA ARG A 123 5.581 -8.617 -5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 123 7.226 -8.659 -7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.594 -10.355 -6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 123 4.875 -9.682 -8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 123 6.242 -9.458 -9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.818 -11.733 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 123 6.022 -12.028 -7.524 1.00 0.00 H new ATOM 0 HE ARG A 123 3.856 -11.497 -8.984 1.00 0.00 H new ATOM 0 HH11 ARG A 123 6.788 -13.148 -10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 123 5.918 -14.264 -11.113 1.00 0.00 H new ATOM 0 HH21 ARG A 123 2.729 -12.976 -10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 123 3.620 -14.166 -11.245 1.00 0.00 H new ATOM 1921 N GLY A 124 5.321 -11.850 -5.143 1.00 0.00 N ATOM 1922 CA GLY A 124 4.368 -12.938 -5.002 1.00 0.00 C ATOM 1923 C GLY A 124 3.405 -12.684 -3.860 1.00 0.00 C ATOM 1924 O GLY A 124 2.234 -13.084 -3.908 1.00 0.00 O ATOM 0 H GLY A 124 6.276 -12.086 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.810 -13.058 -5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.903 -13.872 -4.828 1.00 0.00 H new ATOM 1928 N LYS A 125 3.891 -11.975 -2.846 1.00 0.00 N ATOM 1929 CA LYS A 125 3.081 -11.597 -1.704 1.00 0.00 C ATOM 1930 C LYS A 125 1.931 -10.750 -2.168 1.00 0.00 C ATOM 1931 O LYS A 125 0.785 -10.923 -1.757 1.00 0.00 O ATOM 1932 CB LYS A 125 3.933 -10.787 -0.739 1.00 0.00 C ATOM 1933 CG LYS A 125 5.230 -11.494 -0.403 1.00 0.00 C ATOM 1934 CD LYS A 125 6.021 -10.774 0.683 1.00 0.00 C ATOM 1935 CE LYS A 125 5.272 -10.739 2.011 1.00 0.00 C ATOM 1936 NZ LYS A 125 5.065 -12.097 2.585 1.00 0.00 N ATOM 0 H LYS A 125 4.856 -11.649 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 125 2.703 -12.492 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.153 -9.814 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.371 -10.604 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.012 -12.511 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.841 -11.572 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.981 -11.271 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.234 -9.755 0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.828 -10.128 2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.305 -10.258 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.707 -12.012 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.375 -12.617 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.968 -12.612 2.592 1.00 0.00 H new ATOM 1950 N MET A 126 2.253 -9.858 -3.075 1.00 0.00 N ATOM 1951 CA MET A 126 1.271 -8.969 -3.643 1.00 0.00 C ATOM 1952 C MET A 126 0.507 -9.703 -4.734 1.00 0.00 C ATOM 1953 O MET A 126 -0.640 -9.388 -5.043 1.00 0.00 O ATOM 1954 CB MET A 126 1.968 -7.734 -4.207 1.00 0.00 C ATOM 1955 CG MET A 126 3.141 -7.284 -3.355 1.00 0.00 C ATOM 1956 SD MET A 126 2.653 -6.718 -1.715 1.00 0.00 S ATOM 1957 CE MET A 126 4.250 -6.647 -0.910 1.00 0.00 C ATOM 0 H MET A 126 3.198 -9.729 -3.437 1.00 0.00 H new ATOM 0 HA MET A 126 0.567 -8.648 -2.876 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.319 -7.949 -5.217 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.248 -6.920 -4.286 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.845 -8.110 -3.252 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.667 -6.479 -3.868 1.00 0.00 H new ATOM 0 HE1 MET A 126 4.324 -7.450 -0.177 1.00 0.00 H new ATOM 0 HE2 MET A 126 5.038 -6.761 -1.654 1.00 0.00 H new ATOM 0 HE3 MET A 126 4.362 -5.686 -0.408 1.00 0.00 H new ATOM 1967 N ASP A 127 1.109 -10.758 -5.242 1.00 0.00 N ATOM 1968 CA ASP A 127 0.581 -11.428 -6.422 1.00 0.00 C ATOM 1969 C ASP A 127 -0.620 -12.300 -6.056 1.00 0.00 C ATOM 1970 O ASP A 127 -1.415 -12.669 -6.916 1.00 0.00 O ATOM 1971 CB ASP A 127 1.701 -12.254 -7.064 1.00 0.00 C ATOM 1972 CG ASP A 127 1.253 -13.057 -8.267 1.00 0.00 C ATOM 1973 OD1 ASP A 127 1.250 -12.500 -9.388 1.00 0.00 O ATOM 1974 OD2 ASP A 127 0.924 -14.247 -8.109 1.00 0.00 O ATOM 0 H ASP A 127 1.960 -11.172 -4.862 1.00 0.00 H new ATOM 0 HA ASP A 127 0.230 -10.688 -7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.507 -11.585 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 127 2.113 -12.933 -6.318 1.00 0.00 H new ATOM 1979 N GLY A 128 -0.791 -12.558 -4.768 1.00 0.00 N ATOM 1980 CA GLY A 128 -2.027 -13.172 -4.298 1.00 0.00 C ATOM 1981 C GLY A 128 -2.632 -12.420 -3.121 1.00 0.00 C ATOM 1982 O GLY A 128 -3.818 -12.038 -3.125 1.00 0.00 O ATOM 0 H GLY A 128 -0.105 -12.357 -4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.748 -13.205 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.830 -14.203 -4.005 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.805 -12.166 -2.124 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.279 -11.554 -0.909 1.00 0.00 C ATOM 1988 C GLY A 129 -2.764 -10.138 -1.112 1.00 0.00 C ATOM 1989 O GLY A 129 -3.570 -9.641 -0.327 1.00 0.00 O ATOM 0 H GLY A 129 -0.807 -12.375 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.091 -12.155 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.477 -11.555 -0.171 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.303 -9.483 -2.174 1.00 0.00 N ATOM 1994 CA TRP A 130 -2.617 -8.085 -2.364 1.00 0.00 C ATOM 1995 C TRP A 130 -4.084 -7.884 -2.732 1.00 0.00 C ATOM 1996 O TRP A 130 -4.680 -6.885 -2.348 1.00 0.00 O ATOM 1997 CB TRP A 130 -1.711 -7.497 -3.420 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.310 -6.090 -3.176 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -0.865 -5.228 -4.119 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -1.298 -5.376 -1.929 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -0.586 -4.024 -3.553 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -0.849 -4.078 -2.214 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -1.631 -5.695 -0.606 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -0.724 -3.092 -1.237 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -1.504 -4.719 0.365 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -1.056 -3.429 0.045 1.00 0.00 C ATOM 0 H TRP A 130 -1.720 -9.897 -2.902 1.00 0.00 H new ATOM 0 HA TRP A 130 -2.449 -7.565 -1.421 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -0.812 -8.110 -3.491 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -2.214 -7.555 -4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -0.749 -5.462 -5.167 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -0.234 -3.206 -4.051 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -1.980 -6.684 -0.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -0.378 -2.099 -1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -1.754 -4.954 1.389 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -0.972 -2.688 0.826 1.00 0.00 H new ATOM 2017 N THR A 131 -4.677 -8.818 -3.470 1.00 0.00 N ATOM 2018 CA THR A 131 -6.107 -8.749 -3.708 1.00 0.00 C ATOM 2019 C THR A 131 -6.862 -9.072 -2.437 1.00 0.00 C ATOM 2020 O THR A 131 -7.866 -8.457 -2.135 1.00 0.00 O ATOM 2021 CB THR A 131 -6.588 -9.696 -4.807 1.00 0.00 C ATOM 2022 OG1 THR A 131 -5.706 -10.820 -4.903 1.00 0.00 O ATOM 2023 CG2 THR A 131 -6.675 -8.990 -6.151 1.00 0.00 C ATOM 0 H THR A 131 -4.201 -9.610 -3.902 1.00 0.00 H new ATOM 0 HA THR A 131 -6.306 -7.729 -4.038 1.00 0.00 H new ATOM 0 HB THR A 131 -7.588 -10.038 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 131 -6.021 -11.424 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 131 -7.020 -9.693 -6.909 1.00 0.00 H new ATOM 0 HG22 THR A 131 -7.376 -8.159 -6.081 1.00 0.00 H new ATOM 0 HG23 THR A 131 -5.691 -8.612 -6.428 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.381 -10.034 -1.682 1.00 0.00 N ATOM 2032 CA GLY A 132 -7.001 -10.297 -0.410 1.00 0.00 C ATOM 2033 C GLY A 132 -7.174 -9.022 0.388 1.00 0.00 C ATOM 2034 O GLY A 132 -8.290 -8.640 0.738 1.00 0.00 O ATOM 0 H GLY A 132 -5.587 -10.629 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -7.972 -10.766 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.393 -11.003 0.155 1.00 0.00 H new ATOM 2038 N ILE A 133 -6.089 -8.308 0.600 1.00 0.00 N ATOM 2039 CA ILE A 133 -6.150 -7.130 1.436 1.00 0.00 C ATOM 2040 C ILE A 133 -6.668 -5.899 0.675 1.00 0.00 C ATOM 2041 O ILE A 133 -7.559 -5.219 1.156 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.788 -6.806 2.062 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.942 -8.072 2.228 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -5.009 -6.160 3.417 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -2.552 -7.808 2.768 1.00 0.00 C ATOM 0 H ILE A 133 -5.169 -8.518 0.212 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.858 -7.366 2.230 1.00 0.00 H new ATOM 0 HB ILE A 133 -4.252 -6.124 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -4.459 -8.758 2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -3.859 -8.572 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -4.046 -5.926 3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -5.584 -5.242 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -5.556 -6.847 4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.012 -8.750 2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -2.016 -7.147 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -2.626 -7.336 3.748 1.00 0.00 H new ATOM 2057 N VAL A 134 -6.139 -5.603 -0.505 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.603 -4.432 -1.244 1.00 0.00 C ATOM 2059 C VAL A 134 -7.905 -4.718 -1.974 1.00 0.00 C ATOM 2060 O VAL A 134 -8.847 -3.943 -1.898 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.565 -3.949 -2.266 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -6.017 -2.660 -2.910 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -4.233 -3.743 -1.607 1.00 0.00 C ATOM 0 H VAL A 134 -5.405 -6.142 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.762 -3.649 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 134 -5.465 -4.715 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -5.269 -2.332 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -6.967 -2.821 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -6.142 -1.895 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -3.510 -3.401 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.328 -2.995 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -3.892 -4.683 -1.174 1.00 0.00 H new ATOM 2073 N ASN A 135 -8.002 -5.861 -2.619 1.00 0.00 N ATOM 2074 CA ASN A 135 -9.182 -6.127 -3.423 1.00 0.00 C ATOM 2075 C ASN A 135 -10.345 -6.389 -2.504 1.00 0.00 C ATOM 2076 O ASN A 135 -11.448 -5.886 -2.718 1.00 0.00 O ATOM 2077 CB ASN A 135 -8.959 -7.322 -4.365 1.00 0.00 C ATOM 2078 CG ASN A 135 -10.209 -7.796 -5.096 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -10.517 -7.343 -6.195 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -10.911 -8.751 -4.507 1.00 0.00 N ATOM 0 H ASN A 135 -7.302 -6.603 -2.607 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.391 -5.258 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -8.204 -7.050 -5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.555 -8.153 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -11.737 -9.134 -4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -10.626 -9.104 -3.593 1.00 0.00 H new ATOM 2087 N GLU A 136 -10.102 -7.117 -1.429 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.194 -7.460 -0.590 1.00 0.00 C ATOM 2089 C GLU A 136 -11.331 -6.484 0.587 1.00 0.00 C ATOM 2090 O GLU A 136 -12.419 -5.961 0.816 1.00 0.00 O ATOM 2091 CB GLU A 136 -11.030 -8.924 -0.169 1.00 0.00 C ATOM 2092 CG GLU A 136 -11.659 -9.261 1.171 1.00 0.00 C ATOM 2093 CD GLU A 136 -11.581 -10.733 1.509 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -12.070 -11.557 0.710 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -11.052 -11.077 2.588 1.00 0.00 O ATOM 0 H GLU A 136 -9.188 -7.463 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 136 -12.137 -7.367 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.471 -9.562 -0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -9.967 -9.162 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -11.162 -8.688 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -12.704 -8.951 1.164 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.229 -6.153 1.265 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.292 -5.242 2.419 1.00 0.00 C ATOM 2104 C ARG A 137 -10.290 -3.773 2.039 1.00 0.00 C ATOM 2105 O ARG A 137 -10.901 -2.990 2.731 1.00 0.00 O ATOM 2106 CB ARG A 137 -9.221 -5.532 3.473 1.00 0.00 C ATOM 2107 CG ARG A 137 -8.875 -4.346 4.394 1.00 0.00 C ATOM 2108 CD ARG A 137 -10.060 -3.872 5.246 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.343 -4.754 6.380 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.446 -4.661 7.132 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.381 -3.766 6.832 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -11.609 -5.445 8.189 1.00 0.00 N ATOM 0 H ARG A 137 -9.294 -6.494 1.042 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.262 -5.450 2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.556 -6.366 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.312 -5.856 2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.055 -4.634 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.519 -3.515 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.854 -2.868 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.947 -3.803 4.617 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.663 -5.479 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.258 -3.150 6.028 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.222 -3.695 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -10.890 -6.126 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.453 -5.367 8.756 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.613 -3.358 0.989 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.686 -1.956 0.635 1.00 0.00 C ATOM 2128 C LEU A 138 -11.114 -1.666 0.286 1.00 0.00 C ATOM 2129 O LEU A 138 -11.668 -0.657 0.698 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.734 -1.607 -0.499 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.677 -0.141 -0.901 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.424 0.760 0.286 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.593 0.056 -1.921 1.00 0.00 C ATOM 0 H LEU A 138 -9.030 -3.941 0.389 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.370 -1.334 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.731 -1.923 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.015 -2.192 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.646 0.128 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.391 1.798 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.226 0.637 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.472 0.496 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.552 1.106 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.635 -0.242 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.805 -0.554 -2.799 1.00 0.00 H new ATOM 2145 N ARG A 139 -11.730 -2.612 -0.410 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.145 -2.542 -0.670 1.00 0.00 C ATOM 2147 C ARG A 139 -13.915 -2.679 0.639 1.00 0.00 C ATOM 2148 O ARG A 139 -14.995 -2.136 0.780 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.550 -3.615 -1.693 1.00 0.00 C ATOM 2150 CG ARG A 139 -14.915 -3.404 -2.342 1.00 0.00 C ATOM 2151 CD ARG A 139 -16.049 -3.867 -1.443 1.00 0.00 C ATOM 2152 NE ARG A 139 -15.904 -5.272 -1.049 1.00 0.00 N ATOM 2153 CZ ARG A 139 -16.915 -6.030 -0.626 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -18.135 -5.513 -0.522 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -16.706 -7.305 -0.305 1.00 0.00 N ATOM 0 H ARG A 139 -11.265 -3.432 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.393 -1.573 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -12.794 -3.652 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -13.545 -4.587 -1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.046 -2.348 -2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -14.956 -3.947 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -16.081 -3.242 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -16.999 -3.733 -1.960 1.00 0.00 H new ATOM 0 HE ARG A 139 -14.976 -5.693 -1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -18.297 -4.536 -0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -18.909 -6.093 -0.198 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.770 -7.704 -0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -17.482 -7.883 0.019 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.368 -3.408 1.603 1.00 0.00 N ATOM 2170 CA LYS A 140 -13.994 -3.502 2.897 1.00 0.00 C ATOM 2171 C LYS A 140 -13.936 -2.182 3.668 1.00 0.00 C ATOM 2172 O LYS A 140 -14.939 -1.690 4.150 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.322 -4.589 3.734 1.00 0.00 C ATOM 2174 CG LYS A 140 -14.132 -5.859 3.864 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.440 -7.032 3.214 1.00 0.00 C ATOM 2176 CE LYS A 140 -12.172 -7.429 3.952 1.00 0.00 C ATOM 2177 NZ LYS A 140 -12.451 -8.106 5.248 1.00 0.00 N ATOM 0 H LYS A 140 -12.500 -3.935 1.507 1.00 0.00 H new ATOM 0 HA LYS A 140 -15.041 -3.750 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.357 -4.831 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -13.123 -4.194 4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -14.302 -6.076 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -15.111 -5.715 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -14.122 -7.882 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -13.195 -6.781 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.581 -8.092 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.568 -6.540 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.557 -8.431 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.917 -7.438 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -13.074 -8.923 5.086 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.782 -1.582 3.719 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.585 -0.380 4.497 1.00 0.00 C ATOM 2193 C ALA A 141 -13.390 0.759 3.911 1.00 0.00 C ATOM 2194 O ALA A 141 -13.816 1.667 4.621 1.00 0.00 O ATOM 2195 CB ALA A 141 -11.115 -0.035 4.553 1.00 0.00 C ATOM 0 H ALA A 141 -11.950 -1.906 3.226 1.00 0.00 H new ATOM 0 HA ALA A 141 -12.934 -0.551 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -10.976 0.872 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.566 -0.855 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.741 0.127 3.542 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.611 0.690 2.608 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.350 1.711 1.923 1.00 0.00 C ATOM 2203 C VAL A 142 -15.811 1.300 1.796 1.00 0.00 C ATOM 2204 O VAL A 142 -16.676 2.131 1.515 1.00 0.00 O ATOM 2205 CB VAL A 142 -13.750 2.013 0.538 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.299 2.459 0.675 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -13.860 0.830 -0.411 1.00 0.00 C ATOM 0 H VAL A 142 -13.283 -0.070 2.011 1.00 0.00 H new ATOM 0 HA VAL A 142 -14.287 2.626 2.512 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.333 2.824 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.888 2.669 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -12.251 3.360 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.718 1.668 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.423 1.094 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.327 -0.023 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -14.910 0.570 -0.548 1.00 0.00 H new ATOM 2217 N GLU A 143 -16.088 0.012 2.026 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.453 -0.492 1.890 1.00 0.00 C ATOM 2219 C GLU A 143 -17.752 -1.671 2.845 1.00 0.00 C ATOM 2220 O GLU A 143 -18.688 -1.599 3.639 1.00 0.00 O ATOM 2221 CB GLU A 143 -17.695 -0.855 0.419 1.00 0.00 C ATOM 2222 CG GLU A 143 -18.355 -2.194 0.187 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.870 -2.151 0.270 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -20.510 -1.578 -0.640 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -20.428 -2.720 1.222 1.00 0.00 O ATOM 0 H GLU A 143 -15.398 -0.687 2.302 1.00 0.00 H new ATOM 0 HA GLU A 143 -18.151 0.291 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -18.314 -0.080 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -16.738 -0.844 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -18.064 -2.567 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -17.980 -2.906 0.922 1.00 0.00 H new ATOM 2232 N GLU A 144 -16.917 -2.711 2.785 1.00 0.00 N ATOM 2233 CA GLU A 144 -17.067 -3.949 3.584 1.00 0.00 C ATOM 2234 C GLU A 144 -18.486 -4.524 3.599 1.00 0.00 C ATOM 2235 O GLU A 144 -19.321 -4.143 4.423 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.586 -3.719 5.018 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.649 -4.951 5.904 1.00 0.00 C ATOM 2238 CD GLU A 144 -15.839 -4.786 7.170 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -15.045 -3.827 7.251 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -15.971 -5.627 8.079 1.00 0.00 O ATOM 0 H GLU A 144 -16.101 -2.726 2.173 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.444 -4.693 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -15.558 -3.358 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -17.189 -2.931 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -17.687 -5.157 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -16.281 -5.814 5.349 1.00 0.00 H new ATOM 2247 N LEU A 145 -18.737 -5.469 2.704 1.00 0.00 N ATOM 2248 CA LEU A 145 -19.963 -6.256 2.738 1.00 0.00 C ATOM 2249 C LEU A 145 -19.818 -7.480 1.846 1.00 0.00 C ATOM 2250 O LEU A 145 -19.794 -7.368 0.620 1.00 0.00 O ATOM 2251 CB LEU A 145 -21.170 -5.431 2.298 1.00 0.00 C ATOM 2252 CG LEU A 145 -22.521 -6.138 2.427 1.00 0.00 C ATOM 2253 CD1 LEU A 145 -22.791 -6.518 3.876 1.00 0.00 C ATOM 2254 CD2 LEU A 145 -23.637 -5.257 1.890 1.00 0.00 C ATOM 0 H LEU A 145 -18.104 -5.711 1.941 1.00 0.00 H new ATOM 0 HA LEU A 145 -20.130 -6.572 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -21.199 -4.515 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -21.029 -5.136 1.258 1.00 0.00 H new ATOM 0 HG LEU A 145 -22.488 -7.052 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -23.756 -7.019 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -22.007 -7.188 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -22.803 -5.619 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -24.590 -5.776 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -23.670 -4.326 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -23.452 -5.036 0.839 1.00 0.00 H new ATOM 2266 N GLU A 146 -19.698 -8.641 2.465 1.00 0.00 N ATOM 2267 CA GLU A 146 -19.522 -9.888 1.733 1.00 0.00 C ATOM 2268 C GLU A 146 -20.697 -10.836 1.957 1.00 0.00 C ATOM 2269 O GLU A 146 -20.758 -11.902 1.351 1.00 0.00 O ATOM 2270 CB GLU A 146 -18.202 -10.562 2.137 1.00 0.00 C ATOM 2271 CG GLU A 146 -17.760 -10.275 3.569 1.00 0.00 C ATOM 2272 CD GLU A 146 -18.785 -10.678 4.610 1.00 0.00 C ATOM 2273 OE1 GLU A 146 -19.684 -9.857 4.913 1.00 0.00 O ATOM 2274 OE2 GLU A 146 -18.696 -11.806 5.134 1.00 0.00 O ATOM 0 H GLU A 146 -19.719 -8.749 3.479 1.00 0.00 H new ATOM 0 HA GLU A 146 -19.485 -9.650 0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -18.305 -11.640 2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -17.417 -10.235 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -16.827 -10.803 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -17.551 -9.210 3.670 1.00 0.00 H new ATOM 2281 N HIS A 147 -21.624 -10.423 2.825 1.00 0.00 N ATOM 2282 CA HIS A 147 -22.810 -11.219 3.146 1.00 0.00 C ATOM 2283 C HIS A 147 -23.559 -11.613 1.873 1.00 0.00 C ATOM 2284 O HIS A 147 -23.756 -12.797 1.601 1.00 0.00 O ATOM 2285 CB HIS A 147 -23.727 -10.427 4.088 1.00 0.00 C ATOM 2286 CG HIS A 147 -24.904 -11.203 4.599 1.00 0.00 C ATOM 2287 ND1 HIS A 147 -26.214 -10.812 4.407 1.00 0.00 N ATOM 2288 CD2 HIS A 147 -24.960 -12.347 5.321 1.00 0.00 C ATOM 2289 CE1 HIS A 147 -27.020 -11.684 4.985 1.00 0.00 C ATOM 2290 NE2 HIS A 147 -26.285 -12.623 5.545 1.00 0.00 N ATOM 0 H HIS A 147 -21.574 -9.534 3.322 1.00 0.00 H new ATOM 0 HA HIS A 147 -22.493 -12.134 3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -23.141 -10.077 4.938 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -24.089 -9.542 3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -24.118 -12.933 5.658 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -28.099 -11.636 4.997 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -26.643 -13.426 6.062 1.00 0.00 H new ATOM 2299 N HIS A 148 -23.986 -10.617 1.106 1.00 0.00 N ATOM 2300 CA HIS A 148 -24.566 -10.856 -0.210 1.00 0.00 C ATOM 2301 C HIS A 148 -24.626 -9.555 -1.001 1.00 0.00 C ATOM 2302 O HIS A 148 -25.648 -8.871 -1.020 1.00 0.00 O ATOM 2303 CB HIS A 148 -25.968 -11.473 -0.095 1.00 0.00 C ATOM 2304 CG HIS A 148 -26.529 -11.938 -1.410 1.00 0.00 C ATOM 2305 ND1 HIS A 148 -27.707 -11.459 -1.939 1.00 0.00 N ATOM 2306 CD2 HIS A 148 -26.064 -12.847 -2.299 1.00 0.00 C ATOM 2307 CE1 HIS A 148 -27.940 -12.049 -3.097 1.00 0.00 C ATOM 2308 NE2 HIS A 148 -26.958 -12.896 -3.340 1.00 0.00 N ATOM 0 H HIS A 148 -23.941 -9.634 1.374 1.00 0.00 H new ATOM 0 HA HIS A 148 -23.928 -11.565 -0.738 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -25.929 -12.317 0.593 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -26.645 -10.738 0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -25.157 -13.427 -2.206 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -28.791 -11.869 -3.737 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -26.876 -13.490 -4.165 1.00 0.00 H new ATOM 2317 N HIS A 149 -23.514 -9.206 -1.636 1.00 0.00 N ATOM 2318 CA HIS A 149 -23.453 -8.010 -2.468 1.00 0.00 C ATOM 2319 C HIS A 149 -23.493 -8.417 -3.940 1.00 0.00 C ATOM 2320 O HIS A 149 -24.532 -8.339 -4.592 1.00 0.00 O ATOM 2321 CB HIS A 149 -22.172 -7.218 -2.180 1.00 0.00 C ATOM 2322 CG HIS A 149 -22.376 -5.740 -2.007 1.00 0.00 C ATOM 2323 ND1 HIS A 149 -23.165 -4.976 -2.834 1.00 0.00 N ATOM 2324 CD2 HIS A 149 -21.880 -4.890 -1.079 1.00 0.00 C ATOM 2325 CE1 HIS A 149 -23.142 -3.722 -2.420 1.00 0.00 C ATOM 2326 NE2 HIS A 149 -22.367 -3.642 -1.354 1.00 0.00 N ATOM 0 H HIS A 149 -22.642 -9.734 -1.591 1.00 0.00 H new ATOM 0 HA HIS A 149 -24.309 -7.374 -2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 149 -21.710 -7.616 -1.276 1.00 0.00 H new ATOM 0 HB3 HIS A 149 -21.468 -7.381 -2.996 1.00 0.00 H new ATOM 0 HD2 HIS A 149 -21.218 -5.150 -0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 149 -23.670 -2.898 -2.878 1.00 0.00 H new ATOM 0 HE2 HIS A 149 -22.166 -2.793 -0.825 1.00 0.00 H new ATOM 2335 N HIS A 150 -22.347 -8.869 -4.435 1.00 0.00 N ATOM 2336 CA HIS A 150 -22.221 -9.425 -5.778 1.00 0.00 C ATOM 2337 C HIS A 150 -20.984 -10.313 -5.840 1.00 0.00 C ATOM 2338 O HIS A 150 -19.969 -9.965 -6.441 1.00 0.00 O ATOM 2339 CB HIS A 150 -22.180 -8.329 -6.866 1.00 0.00 C ATOM 2340 CG HIS A 150 -21.328 -7.130 -6.551 1.00 0.00 C ATOM 2341 ND1 HIS A 150 -21.730 -5.846 -6.833 1.00 0.00 N ATOM 2342 CD2 HIS A 150 -20.100 -7.017 -5.990 1.00 0.00 C ATOM 2343 CE1 HIS A 150 -20.795 -4.999 -6.461 1.00 0.00 C ATOM 2344 NE2 HIS A 150 -19.792 -5.679 -5.942 1.00 0.00 N ATOM 0 H HIS A 150 -21.471 -8.860 -3.912 1.00 0.00 H new ATOM 0 HA HIS A 150 -23.108 -10.024 -5.985 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -21.819 -8.776 -7.792 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -23.199 -7.989 -7.052 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -19.478 -7.829 -5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -20.841 -3.925 -6.564 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -18.932 -5.279 -5.568 1.00 0.00 H new ATOM 2353 N HIS A 151 -21.082 -11.456 -5.177 1.00 0.00 N ATOM 2354 CA HIS A 151 -19.972 -12.388 -5.059 1.00 0.00 C ATOM 2355 C HIS A 151 -19.627 -12.989 -6.418 1.00 0.00 C ATOM 2356 O HIS A 151 -20.505 -13.463 -7.139 1.00 0.00 O ATOM 2357 CB HIS A 151 -20.331 -13.496 -4.052 1.00 0.00 C ATOM 2358 CG HIS A 151 -19.277 -14.554 -3.882 1.00 0.00 C ATOM 2359 ND1 HIS A 151 -18.405 -14.590 -2.813 1.00 0.00 N ATOM 2360 CD2 HIS A 151 -18.970 -15.627 -4.649 1.00 0.00 C ATOM 2361 CE1 HIS A 151 -17.605 -15.634 -2.938 1.00 0.00 C ATOM 2362 NE2 HIS A 151 -17.930 -16.278 -4.041 1.00 0.00 N ATOM 0 H HIS A 151 -21.933 -11.763 -4.706 1.00 0.00 H new ATOM 0 HA HIS A 151 -19.096 -11.850 -4.697 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -20.527 -13.038 -3.082 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -21.257 -13.973 -4.372 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -19.455 -15.916 -5.570 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -16.818 -15.912 -2.253 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -17.479 -17.125 -4.386 1.00 0.00 H new ATOM 2371 N HIS A 152 -18.346 -12.966 -6.756 1.00 0.00 N ATOM 2372 CA HIS A 152 -17.868 -13.557 -7.998 1.00 0.00 C ATOM 2373 C HIS A 152 -16.551 -14.287 -7.760 1.00 0.00 C ATOM 2374 O HIS A 152 -15.484 -13.731 -8.071 1.00 0.00 O ATOM 2375 CB HIS A 152 -17.729 -12.498 -9.113 1.00 0.00 C ATOM 2376 CG HIS A 152 -16.923 -11.276 -8.757 1.00 0.00 C ATOM 2377 ND1 HIS A 152 -15.583 -11.138 -9.056 1.00 0.00 N ATOM 2378 CD2 HIS A 152 -17.291 -10.112 -8.167 1.00 0.00 C ATOM 2379 CE1 HIS A 152 -15.165 -9.948 -8.668 1.00 0.00 C ATOM 2380 NE2 HIS A 152 -16.182 -9.303 -8.125 1.00 0.00 N ATOM 2381 OXT HIS A 152 -16.593 -15.410 -7.222 1.00 0.00 O ATOM 0 H HIS A 152 -17.615 -12.542 -6.184 1.00 0.00 H new ATOM 0 HA HIS A 152 -18.608 -14.282 -8.337 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -17.273 -12.971 -9.983 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -18.727 -12.178 -9.411 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -18.276 -9.866 -7.798 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -14.161 -9.566 -8.776 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -16.149 -8.360 -7.738 1.00 0.00 H new TER 2390 HIS A 152