USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 CYS SG : rot 20:sc= 0.766 USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= 0.303 F(o=-1.1,f=1.1) USER MOD Set 2.1: A 69 CYS SG : rot 10:sc= -6.56! USER MOD Set 2.2: A 74 GLN :FLIP amide:sc= -1.39 F(o=-10!,f=-7.9) USER MOD Single : A 34 MET CE :methyl 162:sc= -0.12 (180deg=-0.539) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.334 F(o=-2.8!,f=-0.33) USER MOD Single : A 45 ASN :FLIP amide:sc= 1.25 F(o=-1.3,f=1.3) USER MOD Single : A 50 ASN : amide:sc= -1.24 K(o=-1.2,f=-8.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc=-0.000484 (180deg=-0.0628) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 61 CYS SG : rot 38:sc= 0.113 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-7!) USER MOD Single : A 71 GLN : amide:sc= 0.149 K(o=0.15,f=-0.36) USER MOD Single : A 80 SER OG : rot -167:sc= 0.843 USER MOD Single : A 84 GLN : amide:sc= -4.93! C(o=-4.9!,f=-11!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 160:sc= 0.116 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.128 X(o=0.13,f=-0.056) USER MOD Single : A 95 SER OG : rot 126:sc= 0.595 USER MOD Single : A 100 SER OG : rot 33:sc= 0.47 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc=-0.00336 K(o=-0.0034,f=-0.83) USER MOD Single : A 104 MET CE :methyl -141:sc= -0.0582 (180deg=-0.633) USER MOD Single : A 107 LYS NZ :NH3+ 128:sc= 1.28 (180deg=0.323) USER MOD Single : A 109 ASN : amide:sc= -5.7! C(o=-5.7!,f=-13!) USER MOD Single : A 115 LYS NZ :NH3+ -175:sc= 2.25 (180deg=1.98) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 3.593 9.862 -10.217 1.00 0.00 N ATOM 2 CA MET A 34 3.145 10.341 -8.889 1.00 0.00 C ATOM 3 C MET A 34 2.497 9.203 -8.117 1.00 0.00 C ATOM 4 O MET A 34 2.242 8.143 -8.685 1.00 0.00 O ATOM 5 CB MET A 34 2.155 11.505 -9.031 1.00 0.00 C ATOM 6 CG MET A 34 0.833 11.120 -9.678 1.00 0.00 C ATOM 7 SD MET A 34 -0.326 12.502 -9.768 1.00 0.00 S ATOM 8 CE MET A 34 0.561 13.621 -10.850 1.00 0.00 C ATOM 0 HA MET A 34 4.018 10.697 -8.342 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.956 11.922 -8.044 1.00 0.00 H new ATOM 0 HB3 MET A 34 2.620 12.294 -9.622 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.021 10.743 -10.683 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.379 10.307 -9.112 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.131 14.358 -11.257 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.343 14.130 -10.286 1.00 0.00 H new ATOM 0 HE3 MET A 34 1.012 13.057 -11.666 1.00 0.00 H new ATOM 20 N ALA A 35 2.226 9.439 -6.831 1.00 0.00 N ATOM 21 CA ALA A 35 1.650 8.427 -5.948 1.00 0.00 C ATOM 22 C ALA A 35 2.551 7.199 -5.885 1.00 0.00 C ATOM 23 O ALA A 35 2.409 6.259 -6.668 1.00 0.00 O ATOM 24 CB ALA A 35 0.237 8.055 -6.383 1.00 0.00 C ATOM 0 H ALA A 35 2.400 10.335 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 35 1.581 8.849 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.165 7.300 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.397 8.941 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.261 7.657 -7.398 1.00 0.00 H new ATOM 30 N GLU A 36 3.488 7.237 -4.955 1.00 0.00 N ATOM 31 CA GLU A 36 4.483 6.185 -4.792 1.00 0.00 C ATOM 32 C GLU A 36 3.827 4.831 -4.535 1.00 0.00 C ATOM 33 O GLU A 36 3.069 4.673 -3.581 1.00 0.00 O ATOM 34 CB GLU A 36 5.407 6.560 -3.637 1.00 0.00 C ATOM 35 CG GLU A 36 6.194 7.835 -3.895 1.00 0.00 C ATOM 36 CD GLU A 36 6.956 8.326 -2.680 1.00 0.00 C ATOM 37 OE1 GLU A 36 7.838 7.598 -2.192 1.00 0.00 O ATOM 38 OE2 GLU A 36 6.677 9.453 -2.212 1.00 0.00 O ATOM 0 H GLU A 36 3.583 8.001 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 36 5.058 6.094 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.815 6.683 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.103 5.741 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.897 7.661 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.509 8.616 -4.226 1.00 0.00 H new ATOM 45 N CYS A 37 4.115 3.865 -5.395 1.00 0.00 N ATOM 46 CA CYS A 37 3.525 2.537 -5.284 1.00 0.00 C ATOM 47 C CYS A 37 4.573 1.522 -4.841 1.00 0.00 C ATOM 48 O CYS A 37 5.732 1.592 -5.257 1.00 0.00 O ATOM 49 CB CYS A 37 2.949 2.101 -6.632 1.00 0.00 C ATOM 50 SG CYS A 37 2.120 3.418 -7.551 1.00 0.00 S ATOM 0 H CYS A 37 4.756 3.976 -6.181 1.00 0.00 H new ATOM 0 HA CYS A 37 2.728 2.581 -4.541 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.756 1.699 -7.245 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.241 1.290 -6.465 1.00 0.00 H new ATOM 0 HG CYS A 37 2.512 4.573 -7.103 1.00 0.00 H new ATOM 56 N VAL A 38 4.169 0.577 -4.009 1.00 0.00 N ATOM 57 CA VAL A 38 5.064 -0.481 -3.581 1.00 0.00 C ATOM 58 C VAL A 38 4.339 -1.826 -3.599 1.00 0.00 C ATOM 59 O VAL A 38 3.186 -1.932 -3.179 1.00 0.00 O ATOM 60 CB VAL A 38 5.651 -0.197 -2.176 1.00 0.00 C ATOM 61 CG1 VAL A 38 4.555 -0.126 -1.120 1.00 0.00 C ATOM 62 CG2 VAL A 38 6.701 -1.236 -1.805 1.00 0.00 C ATOM 0 H VAL A 38 3.229 0.522 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 38 5.897 -0.519 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 38 6.138 0.778 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.001 0.074 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.858 0.674 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.021 -1.075 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.098 -1.015 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.247 -2.227 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.511 -1.211 -2.534 1.00 0.00 H new ATOM 72 N SER A 39 5.001 -2.845 -4.120 1.00 0.00 N ATOM 73 CA SER A 39 4.422 -4.173 -4.183 1.00 0.00 C ATOM 74 C SER A 39 4.953 -5.033 -3.041 1.00 0.00 C ATOM 75 O SER A 39 6.150 -5.315 -2.969 1.00 0.00 O ATOM 76 CB SER A 39 4.744 -4.823 -5.529 1.00 0.00 C ATOM 77 OG SER A 39 4.304 -4.007 -6.605 1.00 0.00 O ATOM 0 H SER A 39 5.943 -2.776 -4.506 1.00 0.00 H new ATOM 0 HA SER A 39 3.340 -4.090 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.818 -4.989 -5.609 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.265 -5.800 -5.589 1.00 0.00 H new ATOM 0 HG SER A 39 4.522 -4.442 -7.456 1.00 0.00 H new ATOM 83 N GLN A 40 4.059 -5.428 -2.148 1.00 0.00 N ATOM 84 CA GLN A 40 4.411 -6.275 -1.015 1.00 0.00 C ATOM 85 C GLN A 40 3.213 -7.104 -0.603 1.00 0.00 C ATOM 86 O GLN A 40 2.082 -6.789 -0.963 1.00 0.00 O ATOM 87 CB GLN A 40 4.900 -5.431 0.161 1.00 0.00 C ATOM 88 CG GLN A 40 6.416 -5.425 0.318 1.00 0.00 C ATOM 89 CD GLN A 40 6.930 -6.539 1.215 1.00 0.00 C ATOM 90 OE1 GLN A 40 6.142 -6.909 2.218 1.00 0.00 O flip ATOM 91 NE2 GLN A 40 8.035 -7.048 1.022 1.00 0.00 N flip ATOM 0 H GLN A 40 3.072 -5.173 -2.186 1.00 0.00 H new ATOM 0 HA GLN A 40 5.220 -6.940 -1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.552 -4.406 0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.449 -5.807 1.080 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.877 -5.517 -0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.729 -4.464 0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.611 -6.736 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.374 -7.782 1.644 1.00 0.00 H new ATOM 100 N ALA A 41 3.463 -8.169 0.125 1.00 0.00 N ATOM 101 CA ALA A 41 2.410 -9.070 0.547 1.00 0.00 C ATOM 102 C ALA A 41 2.399 -9.213 2.063 1.00 0.00 C ATOM 103 O ALA A 41 3.427 -9.021 2.711 1.00 0.00 O ATOM 104 CB ALA A 41 2.625 -10.406 -0.121 1.00 0.00 C ATOM 0 H ALA A 41 4.396 -8.436 0.441 1.00 0.00 H new ATOM 0 HA ALA A 41 1.440 -8.668 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.840 -11.097 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.595 -10.281 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.596 -10.807 0.171 1.00 0.00 H new ATOM 110 N ILE A 42 1.240 -9.569 2.621 1.00 0.00 N ATOM 111 CA ILE A 42 1.071 -9.658 4.075 1.00 0.00 C ATOM 112 C ILE A 42 -0.024 -10.671 4.410 1.00 0.00 C ATOM 113 O ILE A 42 -0.743 -11.141 3.523 1.00 0.00 O ATOM 114 CB ILE A 42 0.696 -8.300 4.752 1.00 0.00 C ATOM 115 CG1 ILE A 42 -0.826 -8.114 4.803 1.00 0.00 C ATOM 116 CG2 ILE A 42 1.344 -7.118 4.045 1.00 0.00 C ATOM 117 CD1 ILE A 42 -1.263 -6.859 5.524 1.00 0.00 C ATOM 0 H ILE A 42 0.402 -9.801 2.088 1.00 0.00 H new ATOM 0 HA ILE A 42 2.041 -9.966 4.466 1.00 0.00 H new ATOM 0 HB ILE A 42 1.081 -8.334 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.214 -8.091 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.272 -8.978 5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.058 -6.193 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.428 -7.227 4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.010 -7.087 3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.351 -6.797 5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.906 -6.888 6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.847 -5.986 5.020 1.00 0.00 H new ATOM 129 N ASP A 43 -0.144 -10.990 5.693 1.00 0.00 N ATOM 130 CA ASP A 43 -1.224 -11.837 6.192 1.00 0.00 C ATOM 131 C ASP A 43 -2.558 -11.112 6.107 1.00 0.00 C ATOM 132 O ASP A 43 -2.659 -9.957 6.513 1.00 0.00 O ATOM 133 CB ASP A 43 -0.972 -12.197 7.650 1.00 0.00 C ATOM 134 CG ASP A 43 -0.166 -13.464 7.823 1.00 0.00 C ATOM 135 OD1 ASP A 43 -0.732 -14.561 7.640 1.00 0.00 O ATOM 136 OD2 ASP A 43 1.033 -13.370 8.166 1.00 0.00 O ATOM 0 H ASP A 43 0.501 -10.671 6.416 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.254 -12.737 5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.449 -11.373 8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.929 -12.311 8.159 1.00 0.00 H new ATOM 141 N ILE A 44 -3.599 -11.782 5.620 1.00 0.00 N ATOM 142 CA ILE A 44 -4.910 -11.152 5.543 1.00 0.00 C ATOM 143 C ILE A 44 -5.712 -11.451 6.795 1.00 0.00 C ATOM 144 O ILE A 44 -6.647 -10.739 7.135 1.00 0.00 O ATOM 145 CB ILE A 44 -5.731 -11.634 4.334 1.00 0.00 C ATOM 146 CG1 ILE A 44 -6.400 -12.976 4.612 1.00 0.00 C ATOM 147 CG2 ILE A 44 -4.852 -11.743 3.109 1.00 0.00 C ATOM 148 CD1 ILE A 44 -7.558 -13.237 3.692 1.00 0.00 C ATOM 0 H ILE A 44 -3.561 -12.743 5.279 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.726 -10.083 5.438 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.512 -10.896 4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.666 -13.775 4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.747 -12.999 5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.448 -12.085 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.424 -10.767 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.049 -12.456 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.001 -14.204 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.306 -12.455 3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.209 -13.242 2.660 1.00 0.00 H new ATOM 160 N ASN A 45 -5.355 -12.533 7.461 1.00 0.00 N ATOM 161 CA ASN A 45 -6.045 -12.936 8.673 1.00 0.00 C ATOM 162 C ASN A 45 -5.423 -12.182 9.837 1.00 0.00 C ATOM 163 O ASN A 45 -5.924 -12.203 10.959 1.00 0.00 O ATOM 164 CB ASN A 45 -5.899 -14.443 8.913 1.00 0.00 C ATOM 165 CG ASN A 45 -5.757 -15.237 7.628 1.00 0.00 C ATOM 166 OD1 ASN A 45 -4.526 -15.415 7.192 1.00 0.00 O flip ATOM 167 ND2 ASN A 45 -6.733 -15.678 7.033 1.00 0.00 N flip ATOM 0 H ASN A 45 -4.591 -13.149 7.184 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.107 -12.709 8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.027 -14.622 9.543 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.769 -14.804 9.462 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.670 -15.519 7.403 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.608 -16.204 6.168 1.00 0.00 H new ATOM 174 N GLU A 46 -4.323 -11.500 9.532 1.00 0.00 N ATOM 175 CA GLU A 46 -3.548 -10.763 10.505 1.00 0.00 C ATOM 176 C GLU A 46 -3.599 -9.268 10.174 1.00 0.00 C ATOM 177 O GLU A 46 -4.140 -8.892 9.134 1.00 0.00 O ATOM 178 CB GLU A 46 -2.106 -11.278 10.499 1.00 0.00 C ATOM 179 CG GLU A 46 -1.968 -12.719 10.960 1.00 0.00 C ATOM 180 CD GLU A 46 -2.307 -12.890 12.422 1.00 0.00 C ATOM 181 OE1 GLU A 46 -1.526 -12.419 13.273 1.00 0.00 O ATOM 182 OE2 GLU A 46 -3.359 -13.487 12.730 1.00 0.00 O ATOM 0 H GLU A 46 -3.946 -11.448 8.586 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.964 -10.908 11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.702 -11.189 9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.500 -10.641 11.143 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.622 -13.353 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.947 -13.058 10.784 1.00 0.00 H new ATOM 189 N PRO A 47 -3.038 -8.411 11.040 1.00 0.00 N ATOM 190 CA PRO A 47 -3.103 -6.942 10.908 1.00 0.00 C ATOM 191 C PRO A 47 -2.733 -6.434 9.516 1.00 0.00 C ATOM 192 O PRO A 47 -1.721 -6.835 8.953 1.00 0.00 O ATOM 193 CB PRO A 47 -2.058 -6.454 11.922 1.00 0.00 C ATOM 194 CG PRO A 47 -1.287 -7.670 12.305 1.00 0.00 C ATOM 195 CD PRO A 47 -2.265 -8.790 12.221 1.00 0.00 C ATOM 0 HA PRO A 47 -4.117 -6.580 11.078 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.407 -5.697 11.484 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.535 -6.000 12.791 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.444 -7.831 11.633 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.879 -7.577 13.311 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.774 -9.755 12.098 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.887 -8.860 13.114 1.00 0.00 H new ATOM 203 N ILE A 48 -3.555 -5.545 8.966 1.00 0.00 N ATOM 204 CA ILE A 48 -3.251 -4.942 7.672 1.00 0.00 C ATOM 205 C ILE A 48 -2.334 -3.745 7.855 1.00 0.00 C ATOM 206 O ILE A 48 -1.718 -3.260 6.909 1.00 0.00 O ATOM 207 CB ILE A 48 -4.531 -4.500 6.921 1.00 0.00 C ATOM 208 CG1 ILE A 48 -5.005 -3.110 7.350 1.00 0.00 C ATOM 209 CG2 ILE A 48 -5.635 -5.499 7.146 1.00 0.00 C ATOM 210 CD1 ILE A 48 -4.640 -2.037 6.364 1.00 0.00 C ATOM 0 H ILE A 48 -4.427 -5.229 9.390 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.754 -5.703 7.070 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.280 -4.453 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.087 -3.125 7.479 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.572 -2.867 8.320 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.530 -5.178 6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.323 -6.476 6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.852 -5.567 8.212 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.003 -1.074 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.556 -1.998 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.096 -2.259 5.399 1.00 0.00 H new ATOM 222 N GLY A 49 -2.240 -3.270 9.082 1.00 0.00 N ATOM 223 CA GLY A 49 -1.443 -2.100 9.343 1.00 0.00 C ATOM 224 C GLY A 49 0.013 -2.427 9.485 1.00 0.00 C ATOM 225 O GLY A 49 0.824 -1.547 9.770 1.00 0.00 O ATOM 0 H GLY A 49 -2.700 -3.673 9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.575 -1.384 8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.796 -1.618 10.255 1.00 0.00 H new ATOM 229 N ASN A 50 0.366 -3.689 9.262 1.00 0.00 N ATOM 230 CA ASN A 50 1.752 -4.090 9.328 1.00 0.00 C ATOM 231 C ASN A 50 2.499 -3.572 8.102 1.00 0.00 C ATOM 232 O ASN A 50 3.708 -3.742 7.974 1.00 0.00 O ATOM 233 CB ASN A 50 1.892 -5.622 9.462 1.00 0.00 C ATOM 234 CG ASN A 50 1.341 -6.410 8.281 1.00 0.00 C ATOM 235 OD1 ASN A 50 1.348 -5.947 7.145 1.00 0.00 O ATOM 236 ND2 ASN A 50 0.868 -7.620 8.545 1.00 0.00 N ATOM 0 H ASN A 50 -0.287 -4.439 9.037 1.00 0.00 H new ATOM 0 HA ASN A 50 2.197 -3.651 10.221 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.946 -5.869 9.587 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.379 -5.944 10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.495 -8.197 7.791 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.878 -7.974 9.502 1.00 0.00 H new ATOM 243 N LEU A 51 1.759 -2.920 7.207 1.00 0.00 N ATOM 244 CA LEU A 51 2.343 -2.269 6.043 1.00 0.00 C ATOM 245 C LEU A 51 3.316 -1.177 6.476 1.00 0.00 C ATOM 246 O LEU A 51 4.258 -0.850 5.762 1.00 0.00 O ATOM 247 CB LEU A 51 1.249 -1.679 5.146 1.00 0.00 C ATOM 248 CG LEU A 51 0.713 -2.615 4.055 1.00 0.00 C ATOM 249 CD1 LEU A 51 0.250 -3.931 4.644 1.00 0.00 C ATOM 250 CD2 LEU A 51 -0.428 -1.956 3.302 1.00 0.00 C ATOM 0 H LEU A 51 0.745 -2.830 7.270 1.00 0.00 H new ATOM 0 HA LEU A 51 2.890 -3.019 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.415 -1.369 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.640 -0.780 4.669 1.00 0.00 H new ATOM 0 HG LEU A 51 1.528 -2.817 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.125 -4.574 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.086 -4.421 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.545 -3.747 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.796 -2.634 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.235 -1.723 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.073 -1.037 2.836 1.00 0.00 H new ATOM 262 N LYS A 52 3.107 -0.649 7.674 1.00 0.00 N ATOM 263 CA LYS A 52 4.005 0.353 8.222 1.00 0.00 C ATOM 264 C LYS A 52 5.316 -0.312 8.630 1.00 0.00 C ATOM 265 O LYS A 52 6.362 0.328 8.714 1.00 0.00 O ATOM 266 CB LYS A 52 3.376 1.049 9.435 1.00 0.00 C ATOM 267 CG LYS A 52 2.199 1.955 9.098 1.00 0.00 C ATOM 268 CD LYS A 52 1.637 2.593 10.356 1.00 0.00 C ATOM 269 CE LYS A 52 0.568 3.617 10.031 1.00 0.00 C ATOM 270 NZ LYS A 52 -0.064 4.167 11.259 1.00 0.00 N ATOM 0 H LYS A 52 2.326 -0.898 8.281 1.00 0.00 H new ATOM 0 HA LYS A 52 4.195 1.107 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.044 0.290 10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.142 1.640 9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.518 2.731 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.421 1.378 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.218 1.820 11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.442 3.071 10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.008 4.430 9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.196 3.158 9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.789 4.864 10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.506 3.395 11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.661 4.628 11.846 1.00 0.00 H new ATOM 284 N LYS A 53 5.240 -1.611 8.888 1.00 0.00 N ATOM 285 CA LYS A 53 6.394 -2.386 9.312 1.00 0.00 C ATOM 286 C LYS A 53 7.131 -2.975 8.106 1.00 0.00 C ATOM 287 O LYS A 53 8.350 -2.849 7.982 1.00 0.00 O ATOM 288 CB LYS A 53 5.955 -3.511 10.255 1.00 0.00 C ATOM 289 CG LYS A 53 5.006 -3.061 11.357 1.00 0.00 C ATOM 290 CD LYS A 53 5.612 -1.963 12.215 1.00 0.00 C ATOM 291 CE LYS A 53 4.652 -1.504 13.301 1.00 0.00 C ATOM 292 NZ LYS A 53 4.384 -2.569 14.306 1.00 0.00 N ATOM 0 H LYS A 53 4.380 -2.153 8.809 1.00 0.00 H new ATOM 0 HA LYS A 53 7.076 -1.719 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.471 -4.293 9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.840 -3.955 10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.077 -2.703 10.912 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.750 -3.914 11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.533 -2.325 12.672 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.881 -1.115 11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.066 -0.630 13.803 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.712 -1.194 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.851 -2.167 15.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.828 -3.330 13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.286 -2.955 14.652 1.00 0.00 H new ATOM 306 N LEU A 54 6.376 -3.611 7.215 1.00 0.00 N ATOM 307 CA LEU A 54 6.947 -4.319 6.076 1.00 0.00 C ATOM 308 C LEU A 54 7.441 -3.357 5.000 1.00 0.00 C ATOM 309 O LEU A 54 8.400 -3.651 4.290 1.00 0.00 O ATOM 310 CB LEU A 54 5.919 -5.280 5.463 1.00 0.00 C ATOM 311 CG LEU A 54 5.738 -6.631 6.168 1.00 0.00 C ATOM 312 CD1 LEU A 54 5.145 -6.467 7.554 1.00 0.00 C ATOM 313 CD2 LEU A 54 4.852 -7.535 5.334 1.00 0.00 C ATOM 0 H LEU A 54 5.358 -3.650 7.262 1.00 0.00 H new ATOM 0 HA LEU A 54 7.800 -4.886 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.953 -4.776 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.205 -5.471 4.429 1.00 0.00 H new ATOM 0 HG LEU A 54 6.724 -7.082 6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.033 -7.446 8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.806 -5.850 8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.169 -5.987 7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.728 -8.492 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.877 -7.066 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.313 -7.698 4.360 1.00 0.00 H new ATOM 325 N LEU A 55 6.793 -2.208 4.879 1.00 0.00 N ATOM 326 CA LEU A 55 7.133 -1.270 3.818 1.00 0.00 C ATOM 327 C LEU A 55 8.076 -0.183 4.313 1.00 0.00 C ATOM 328 O LEU A 55 8.500 0.676 3.540 1.00 0.00 O ATOM 329 CB LEU A 55 5.872 -0.655 3.201 1.00 0.00 C ATOM 330 CG LEU A 55 5.071 -1.596 2.293 1.00 0.00 C ATOM 331 CD1 LEU A 55 6.006 -2.337 1.360 1.00 0.00 C ATOM 332 CD2 LEU A 55 4.232 -2.580 3.095 1.00 0.00 C ATOM 0 H LEU A 55 6.038 -1.904 5.494 1.00 0.00 H new ATOM 0 HA LEU A 55 7.653 -1.832 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.222 -0.311 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.159 0.225 2.625 1.00 0.00 H new ATOM 0 HG LEU A 55 4.384 -0.986 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.428 -3.003 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.548 -1.620 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.716 -2.922 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.681 -3.228 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.884 -3.186 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.529 -2.032 3.723 1.00 0.00 H new ATOM 344 N GLU A 56 8.397 -0.223 5.601 1.00 0.00 N ATOM 345 CA GLU A 56 9.387 0.681 6.181 1.00 0.00 C ATOM 346 C GLU A 56 10.711 0.621 5.397 1.00 0.00 C ATOM 347 O GLU A 56 11.201 1.653 4.943 1.00 0.00 O ATOM 348 CB GLU A 56 9.583 0.345 7.671 1.00 0.00 C ATOM 349 CG GLU A 56 10.256 1.438 8.489 1.00 0.00 C ATOM 350 CD GLU A 56 11.765 1.391 8.410 1.00 0.00 C ATOM 351 OE1 GLU A 56 12.366 0.518 9.070 1.00 0.00 O ATOM 352 OE2 GLU A 56 12.357 2.230 7.706 1.00 0.00 O ATOM 0 H GLU A 56 7.984 -0.875 6.268 1.00 0.00 H new ATOM 0 HA GLU A 56 9.025 1.707 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.610 0.129 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.177 -0.565 7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.910 2.411 8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.949 1.345 9.531 1.00 0.00 H new ATOM 359 N PRO A 57 11.297 -0.580 5.193 1.00 0.00 N ATOM 360 CA PRO A 57 12.530 -0.723 4.406 1.00 0.00 C ATOM 361 C PRO A 57 12.309 -0.422 2.926 1.00 0.00 C ATOM 362 O PRO A 57 13.201 0.069 2.232 1.00 0.00 O ATOM 363 CB PRO A 57 12.904 -2.196 4.586 1.00 0.00 C ATOM 364 CG PRO A 57 11.636 -2.880 4.953 1.00 0.00 C ATOM 365 CD PRO A 57 10.829 -1.878 5.719 1.00 0.00 C ATOM 0 HA PRO A 57 13.301 -0.027 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.323 -2.610 3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.657 -2.318 5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.101 -3.213 4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.832 -3.766 5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.760 -2.015 5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.001 -1.961 6.792 1.00 0.00 H new ATOM 373 N ARG A 58 11.102 -0.705 2.462 1.00 0.00 N ATOM 374 CA ARG A 58 10.758 -0.589 1.054 1.00 0.00 C ATOM 375 C ARG A 58 10.615 0.861 0.611 1.00 0.00 C ATOM 376 O ARG A 58 11.115 1.250 -0.445 1.00 0.00 O ATOM 377 CB ARG A 58 9.450 -1.332 0.791 1.00 0.00 C ATOM 378 CG ARG A 58 9.643 -2.804 0.469 1.00 0.00 C ATOM 379 CD ARG A 58 10.481 -2.984 -0.784 1.00 0.00 C ATOM 380 NE ARG A 58 10.731 -4.392 -1.087 1.00 0.00 N ATOM 381 CZ ARG A 58 10.906 -4.869 -2.317 1.00 0.00 C ATOM 382 NH1 ARG A 58 10.850 -4.052 -3.363 1.00 0.00 N ATOM 383 NH2 ARG A 58 11.147 -6.160 -2.501 1.00 0.00 N ATOM 0 H ARG A 58 10.333 -1.022 3.052 1.00 0.00 H new ATOM 0 HA ARG A 58 11.572 -1.029 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.807 -1.241 1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.929 -0.852 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.127 -3.303 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.672 -3.280 0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.973 -2.518 -1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.432 -2.467 -0.659 1.00 0.00 H new ATOM 0 HE ARG A 58 10.774 -5.049 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.673 -3.057 -3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.984 -4.420 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.198 -6.789 -1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.281 -6.524 -3.444 1.00 0.00 H new ATOM 397 N LEU A 59 9.937 1.654 1.418 1.00 0.00 N ATOM 398 CA LEU A 59 9.665 3.038 1.062 1.00 0.00 C ATOM 399 C LEU A 59 10.711 3.970 1.652 1.00 0.00 C ATOM 400 O LEU A 59 10.819 5.128 1.254 1.00 0.00 O ATOM 401 CB LEU A 59 8.275 3.446 1.554 1.00 0.00 C ATOM 402 CG LEU A 59 7.111 2.626 0.994 1.00 0.00 C ATOM 403 CD1 LEU A 59 5.808 3.022 1.670 1.00 0.00 C ATOM 404 CD2 LEU A 59 7.006 2.810 -0.513 1.00 0.00 C ATOM 0 H LEU A 59 9.564 1.367 2.323 1.00 0.00 H new ATOM 0 HA LEU A 59 9.703 3.120 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.258 3.373 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.113 4.494 1.302 1.00 0.00 H new ATOM 0 HG LEU A 59 7.301 1.573 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.990 2.429 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.885 2.841 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.613 4.080 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.173 2.220 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.839 3.863 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.931 2.479 -0.985 1.00 0.00 H new ATOM 416 N GLN A 60 11.476 3.439 2.610 1.00 0.00 N ATOM 417 CA GLN A 60 12.466 4.220 3.357 1.00 0.00 C ATOM 418 C GLN A 60 11.781 5.387 4.065 1.00 0.00 C ATOM 419 O GLN A 60 12.409 6.379 4.437 1.00 0.00 O ATOM 420 CB GLN A 60 13.567 4.725 2.422 1.00 0.00 C ATOM 421 CG GLN A 60 14.217 3.621 1.600 1.00 0.00 C ATOM 422 CD GLN A 60 15.267 4.145 0.641 1.00 0.00 C ATOM 423 OE1 GLN A 60 15.189 5.280 0.173 1.00 0.00 O ATOM 424 NE2 GLN A 60 16.248 3.316 0.327 1.00 0.00 N ATOM 0 H GLN A 60 11.427 2.459 2.889 1.00 0.00 H new ATOM 0 HA GLN A 60 12.928 3.579 4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.146 5.470 1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.333 5.227 3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.675 2.895 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.448 3.093 1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.277 2.382 0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.975 3.610 -0.325 1.00 0.00 H new ATOM 433 N CYS A 61 10.485 5.224 4.265 1.00 0.00 N ATOM 434 CA CYS A 61 9.648 6.272 4.818 1.00 0.00 C ATOM 435 C CYS A 61 9.313 5.979 6.270 1.00 0.00 C ATOM 436 O CYS A 61 9.330 4.825 6.700 1.00 0.00 O ATOM 437 CB CYS A 61 8.363 6.401 3.998 1.00 0.00 C ATOM 438 SG CYS A 61 8.630 6.880 2.274 1.00 0.00 S ATOM 0 H CYS A 61 9.984 4.362 4.049 1.00 0.00 H new ATOM 0 HA CYS A 61 10.196 7.213 4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.833 5.449 4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.715 7.138 4.472 1.00 0.00 H new ATOM 0 HG CYS A 61 9.698 6.293 1.821 1.00 0.00 H new ATOM 444 N SER A 62 9.023 7.021 7.025 1.00 0.00 N ATOM 445 CA SER A 62 8.622 6.860 8.403 1.00 0.00 C ATOM 446 C SER A 62 7.116 6.659 8.464 1.00 0.00 C ATOM 447 O SER A 62 6.358 7.618 8.576 1.00 0.00 O ATOM 448 CB SER A 62 9.038 8.085 9.216 1.00 0.00 C ATOM 449 OG SER A 62 10.425 8.349 9.064 1.00 0.00 O ATOM 0 H SER A 62 9.059 7.988 6.704 1.00 0.00 H new ATOM 0 HA SER A 62 9.115 5.987 8.830 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.462 8.952 8.894 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.808 7.922 10.269 1.00 0.00 H new ATOM 0 HG SER A 62 10.668 9.138 9.592 1.00 0.00 H new ATOM 455 N LEU A 63 6.703 5.400 8.405 1.00 0.00 N ATOM 456 CA LEU A 63 5.283 5.070 8.352 1.00 0.00 C ATOM 457 C LEU A 63 4.654 5.382 9.700 1.00 0.00 C ATOM 458 O LEU A 63 4.791 4.611 10.652 1.00 0.00 O ATOM 459 CB LEU A 63 5.033 3.597 8.003 1.00 0.00 C ATOM 460 CG LEU A 63 5.488 3.095 6.621 1.00 0.00 C ATOM 461 CD1 LEU A 63 5.255 4.119 5.529 1.00 0.00 C ATOM 462 CD2 LEU A 63 6.936 2.671 6.652 1.00 0.00 C ATOM 0 H LEU A 63 7.327 4.593 8.393 1.00 0.00 H new ATOM 0 HA LEU A 63 4.832 5.670 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.526 2.986 8.759 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.963 3.410 8.091 1.00 0.00 H new ATOM 0 HG LEU A 63 4.874 2.227 6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.593 3.716 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.192 4.351 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.813 5.027 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.234 2.320 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.558 3.519 6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.064 1.867 7.376 1.00 0.00 H new ATOM 474 N ASP A 64 3.977 6.515 9.787 1.00 0.00 N ATOM 475 CA ASP A 64 3.457 6.980 11.061 1.00 0.00 C ATOM 476 C ASP A 64 2.199 7.818 10.864 1.00 0.00 C ATOM 477 O ASP A 64 1.092 7.356 11.142 1.00 0.00 O ATOM 478 CB ASP A 64 4.526 7.784 11.805 1.00 0.00 C ATOM 479 CG ASP A 64 4.152 8.041 13.247 1.00 0.00 C ATOM 480 OD1 ASP A 64 3.433 9.022 13.514 1.00 0.00 O ATOM 481 OD2 ASP A 64 4.571 7.256 14.123 1.00 0.00 O ATOM 0 H ASP A 64 3.776 7.126 8.996 1.00 0.00 H new ATOM 0 HA ASP A 64 3.191 6.110 11.661 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.473 7.246 11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.680 8.736 11.297 1.00 0.00 H new ATOM 486 N ALA A 65 2.366 9.050 10.379 1.00 0.00 N ATOM 487 CA ALA A 65 1.234 9.940 10.125 1.00 0.00 C ATOM 488 C ALA A 65 0.318 9.388 9.040 1.00 0.00 C ATOM 489 O ALA A 65 -0.886 9.633 9.048 1.00 0.00 O ATOM 490 CB ALA A 65 1.733 11.325 9.741 1.00 0.00 C ATOM 0 H ALA A 65 3.276 9.453 10.154 1.00 0.00 H new ATOM 0 HA ALA A 65 0.652 10.010 11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.882 11.980 9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.333 11.734 10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.342 11.255 8.840 1.00 0.00 H new ATOM 496 N HIS A 66 0.891 8.640 8.115 1.00 0.00 N ATOM 497 CA HIS A 66 0.117 8.014 7.060 1.00 0.00 C ATOM 498 C HIS A 66 -0.531 6.720 7.504 1.00 0.00 C ATOM 499 O HIS A 66 0.136 5.756 7.884 1.00 0.00 O ATOM 500 CB HIS A 66 0.909 7.825 5.749 1.00 0.00 C ATOM 501 CG HIS A 66 2.399 7.646 5.851 1.00 0.00 C ATOM 502 ND1 HIS A 66 3.155 8.254 6.827 1.00 0.00 N ATOM 503 CD2 HIS A 66 3.226 7.006 4.999 1.00 0.00 C ATOM 504 CE1 HIS A 66 4.410 7.980 6.534 1.00 0.00 C ATOM 505 NE2 HIS A 66 4.506 7.226 5.435 1.00 0.00 N ATOM 0 H HIS A 66 1.892 8.451 8.073 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.683 8.720 6.839 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.501 6.955 5.234 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.718 8.690 5.114 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.934 6.428 4.135 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.256 8.322 7.111 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.364 6.882 5.005 1.00 0.00 H new ATOM 513 N GLU A 67 -1.854 6.737 7.448 1.00 0.00 N ATOM 514 CA GLU A 67 -2.684 5.600 7.815 1.00 0.00 C ATOM 515 C GLU A 67 -2.717 4.590 6.678 1.00 0.00 C ATOM 516 O GLU A 67 -2.290 4.891 5.566 1.00 0.00 O ATOM 517 CB GLU A 67 -4.102 6.089 8.117 1.00 0.00 C ATOM 518 CG GLU A 67 -4.767 6.780 6.934 1.00 0.00 C ATOM 519 CD GLU A 67 -6.099 7.403 7.287 1.00 0.00 C ATOM 520 OE1 GLU A 67 -7.099 6.663 7.407 1.00 0.00 O ATOM 521 OE2 GLU A 67 -6.154 8.641 7.444 1.00 0.00 O ATOM 0 H GLU A 67 -2.388 7.551 7.143 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.267 5.118 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.714 5.240 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.069 6.779 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.101 7.553 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.912 6.056 6.132 1.00 0.00 H new ATOM 528 N ILE A 68 -3.220 3.395 6.947 1.00 0.00 N ATOM 529 CA ILE A 68 -3.355 2.394 5.901 1.00 0.00 C ATOM 530 C ILE A 68 -4.763 2.456 5.323 1.00 0.00 C ATOM 531 O ILE A 68 -5.716 2.809 6.025 1.00 0.00 O ATOM 532 CB ILE A 68 -3.084 0.960 6.395 1.00 0.00 C ATOM 533 CG1 ILE A 68 -2.094 0.939 7.567 1.00 0.00 C ATOM 534 CG2 ILE A 68 -2.541 0.126 5.245 1.00 0.00 C ATOM 535 CD1 ILE A 68 -0.676 1.290 7.189 1.00 0.00 C ATOM 0 H ILE A 68 -3.538 3.097 7.869 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.605 2.625 5.145 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.025 0.540 6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.438 1.637 8.330 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.102 -0.054 8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.348 -0.889 5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.272 0.101 4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.613 0.568 4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.043 1.251 8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.310 0.578 6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.650 2.295 6.768 1.00 0.00 H new ATOM 547 N CYS A 69 -4.894 2.109 4.058 1.00 0.00 N ATOM 548 CA CYS A 69 -6.130 2.291 3.335 1.00 0.00 C ATOM 549 C CYS A 69 -6.220 1.284 2.203 1.00 0.00 C ATOM 550 O CYS A 69 -5.265 0.558 1.938 1.00 0.00 O ATOM 551 CB CYS A 69 -6.206 3.720 2.797 1.00 0.00 C ATOM 552 SG CYS A 69 -6.469 4.959 4.087 1.00 0.00 S ATOM 0 H CYS A 69 -4.144 1.693 3.505 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.972 2.127 4.008 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.283 3.950 2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.016 3.784 2.071 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.340 4.403 5.255 1.00 0.00 H new ATOM 558 N LEU A 70 -7.371 1.211 1.560 1.00 0.00 N ATOM 559 CA LEU A 70 -7.565 0.272 0.478 1.00 0.00 C ATOM 560 C LEU A 70 -8.449 0.879 -0.591 1.00 0.00 C ATOM 561 O LEU A 70 -9.608 1.170 -0.337 1.00 0.00 O ATOM 562 CB LEU A 70 -8.203 -0.996 1.016 1.00 0.00 C ATOM 563 CG LEU A 70 -7.930 -2.233 0.191 1.00 0.00 C ATOM 564 CD1 LEU A 70 -7.937 -3.447 1.087 1.00 0.00 C ATOM 565 CD2 LEU A 70 -8.962 -2.394 -0.911 1.00 0.00 C ATOM 0 H LEU A 70 -8.183 1.791 1.770 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.597 0.033 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.845 -1.165 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.281 -0.847 1.079 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.951 -2.128 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.740 -4.339 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.165 -3.341 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.911 -3.539 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.741 -3.292 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.955 -2.482 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.932 -1.524 -1.567 1.00 0.00 H new ATOM 577 N GLN A 71 -7.892 1.070 -1.784 1.00 0.00 N ATOM 578 CA GLN A 71 -8.612 1.707 -2.883 1.00 0.00 C ATOM 579 C GLN A 71 -9.203 3.031 -2.424 1.00 0.00 C ATOM 580 O GLN A 71 -10.308 3.407 -2.815 1.00 0.00 O ATOM 581 CB GLN A 71 -9.689 0.768 -3.432 1.00 0.00 C ATOM 582 CG GLN A 71 -9.109 -0.366 -4.263 1.00 0.00 C ATOM 583 CD GLN A 71 -9.912 -1.644 -4.165 1.00 0.00 C ATOM 584 OE1 GLN A 71 -11.129 -1.624 -3.973 1.00 0.00 O ATOM 585 NE2 GLN A 71 -9.228 -2.770 -4.291 1.00 0.00 N ATOM 0 H GLN A 71 -6.939 0.791 -2.015 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.914 1.916 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.259 0.350 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.388 1.340 -4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.058 -0.055 -5.306 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.087 -0.560 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.221 -2.740 -4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.708 -3.668 -4.230 1.00 0.00 H new ATOM 594 N ASP A 72 -8.448 3.693 -1.543 1.00 0.00 N ATOM 595 CA ASP A 72 -8.767 5.033 -1.032 1.00 0.00 C ATOM 596 C ASP A 72 -9.718 4.965 0.160 1.00 0.00 C ATOM 597 O ASP A 72 -9.843 5.935 0.909 1.00 0.00 O ATOM 598 CB ASP A 72 -9.311 5.966 -2.127 1.00 0.00 C ATOM 599 CG ASP A 72 -9.529 7.382 -1.634 1.00 0.00 C ATOM 600 OD1 ASP A 72 -8.546 8.153 -1.587 1.00 0.00 O ATOM 601 OD2 ASP A 72 -10.674 7.741 -1.302 1.00 0.00 O ATOM 0 H ASP A 72 -7.585 3.309 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.828 5.466 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.614 5.981 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.253 5.567 -2.503 1.00 0.00 H new ATOM 606 N ILE A 73 -10.366 3.817 0.364 1.00 0.00 N ATOM 607 CA ILE A 73 -11.107 3.595 1.600 1.00 0.00 C ATOM 608 C ILE A 73 -10.097 3.536 2.718 1.00 0.00 C ATOM 609 O ILE A 73 -8.983 3.079 2.505 1.00 0.00 O ATOM 610 CB ILE A 73 -11.860 2.251 1.641 1.00 0.00 C ATOM 611 CG1 ILE A 73 -12.442 1.867 0.290 1.00 0.00 C ATOM 612 CG2 ILE A 73 -12.964 2.301 2.688 1.00 0.00 C ATOM 613 CD1 ILE A 73 -12.737 0.387 0.214 1.00 0.00 C ATOM 0 H ILE A 73 -10.392 3.042 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.838 4.399 1.684 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.132 1.485 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.358 2.431 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.742 2.141 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.490 1.346 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.528 2.496 3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.666 3.096 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -13.152 0.148 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.816 -0.176 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.457 0.119 0.988 1.00 0.00 H new ATOM 625 N GLN A 74 -10.469 3.956 3.897 1.00 0.00 N ATOM 626 CA GLN A 74 -9.535 3.942 4.995 1.00 0.00 C ATOM 627 C GLN A 74 -9.696 2.654 5.791 1.00 0.00 C ATOM 628 O GLN A 74 -10.810 2.183 6.023 1.00 0.00 O ATOM 629 CB GLN A 74 -9.697 5.172 5.895 1.00 0.00 C ATOM 630 CG GLN A 74 -10.791 6.147 5.467 1.00 0.00 C ATOM 631 CD GLN A 74 -10.504 6.884 4.161 1.00 0.00 C ATOM 632 OE1 GLN A 74 -9.240 7.119 3.847 1.00 0.00 O flip ATOM 633 NE2 GLN A 74 -11.427 7.238 3.430 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.399 4.308 4.123 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.525 3.982 4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.909 4.835 6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.748 5.707 5.928 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.728 5.600 5.363 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.937 6.881 6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.392 7.044 3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.228 7.726 2.557 1.00 0.00 H new ATOM 642 N LEU A 75 -8.573 2.095 6.196 1.00 0.00 N ATOM 643 CA LEU A 75 -8.551 0.841 6.928 1.00 0.00 C ATOM 644 C LEU A 75 -8.091 1.113 8.351 1.00 0.00 C ATOM 645 O LEU A 75 -7.748 2.248 8.685 1.00 0.00 O ATOM 646 CB LEU A 75 -7.617 -0.164 6.236 1.00 0.00 C ATOM 647 CG LEU A 75 -8.112 -0.694 4.881 1.00 0.00 C ATOM 648 CD1 LEU A 75 -6.967 -1.268 4.066 1.00 0.00 C ATOM 649 CD2 LEU A 75 -9.169 -1.765 5.076 1.00 0.00 C ATOM 0 H LEU A 75 -7.650 2.496 6.028 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.551 0.407 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.646 0.309 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.462 -1.011 6.904 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.545 0.148 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.347 -1.635 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.224 -0.491 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.507 -2.090 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.505 -2.126 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.747 -2.594 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.016 -1.346 5.620 1.00 0.00 H new ATOM 661 N ASP A 76 -8.086 0.087 9.181 1.00 0.00 N ATOM 662 CA ASP A 76 -7.652 0.216 10.551 1.00 0.00 C ATOM 663 C ASP A 76 -6.589 -0.843 10.817 1.00 0.00 C ATOM 664 O ASP A 76 -6.898 -1.997 11.083 1.00 0.00 O ATOM 665 CB ASP A 76 -8.839 0.071 11.509 1.00 0.00 C ATOM 666 CG ASP A 76 -8.463 0.305 12.959 1.00 0.00 C ATOM 667 OD1 ASP A 76 -8.306 1.480 13.359 1.00 0.00 O ATOM 668 OD2 ASP A 76 -8.353 -0.678 13.714 1.00 0.00 O ATOM 0 H ASP A 76 -8.382 -0.854 8.922 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.227 1.205 10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.618 0.778 11.223 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.262 -0.928 11.406 1.00 0.00 H new ATOM 673 N PRO A 77 -5.325 -0.441 10.622 1.00 0.00 N ATOM 674 CA PRO A 77 -4.100 -1.226 10.851 1.00 0.00 C ATOM 675 C PRO A 77 -4.202 -2.326 11.908 1.00 0.00 C ATOM 676 O PRO A 77 -3.564 -3.374 11.786 1.00 0.00 O ATOM 677 CB PRO A 77 -3.139 -0.138 11.322 1.00 0.00 C ATOM 678 CG PRO A 77 -3.589 1.119 10.638 1.00 0.00 C ATOM 679 CD PRO A 77 -4.981 0.873 10.101 1.00 0.00 C ATOM 0 HA PRO A 77 -3.816 -1.783 9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.172 -0.028 12.406 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.110 -0.382 11.057 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.590 1.956 11.336 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.907 1.380 9.829 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.682 1.635 10.442 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.998 0.889 9.011 1.00 0.00 H new ATOM 687 N ASP A 78 -5.009 -2.082 12.922 1.00 0.00 N ATOM 688 CA ASP A 78 -5.159 -2.990 14.049 1.00 0.00 C ATOM 689 C ASP A 78 -5.922 -4.250 13.654 1.00 0.00 C ATOM 690 O ASP A 78 -5.845 -5.273 14.331 1.00 0.00 O ATOM 691 CB ASP A 78 -5.914 -2.264 15.155 1.00 0.00 C ATOM 692 CG ASP A 78 -5.128 -1.094 15.716 1.00 0.00 C ATOM 693 OD1 ASP A 78 -5.229 0.019 15.165 1.00 0.00 O ATOM 694 OD2 ASP A 78 -4.405 -1.278 16.720 1.00 0.00 O ATOM 0 H ASP A 78 -5.585 -1.243 12.990 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.169 -3.294 14.390 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.867 -1.906 14.766 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.141 -2.965 15.958 1.00 0.00 H new ATOM 699 N ARG A 79 -6.647 -4.170 12.551 1.00 0.00 N ATOM 700 CA ARG A 79 -7.533 -5.239 12.117 1.00 0.00 C ATOM 701 C ARG A 79 -6.977 -5.890 10.852 1.00 0.00 C ATOM 702 O ARG A 79 -6.108 -5.316 10.191 1.00 0.00 O ATOM 703 CB ARG A 79 -8.916 -4.649 11.844 1.00 0.00 C ATOM 704 CG ARG A 79 -9.411 -3.751 12.965 1.00 0.00 C ATOM 705 CD ARG A 79 -10.666 -2.992 12.572 1.00 0.00 C ATOM 706 NE ARG A 79 -10.894 -1.852 13.454 1.00 0.00 N ATOM 707 CZ ARG A 79 -12.086 -1.332 13.728 1.00 0.00 C ATOM 708 NH1 ARG A 79 -13.189 -1.874 13.223 1.00 0.00 N ATOM 709 NH2 ARG A 79 -12.173 -0.262 14.511 1.00 0.00 N ATOM 0 H ARG A 79 -6.638 -3.361 11.930 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.608 -6.000 12.893 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.885 -4.078 10.916 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.628 -5.461 11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.614 -4.354 13.850 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.628 -3.042 13.235 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.577 -2.646 11.542 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.525 -3.661 12.610 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.079 -1.423 13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.124 -2.695 12.621 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.100 -1.469 13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.327 0.156 14.899 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.085 0.141 14.724 1.00 0.00 H new ATOM 723 N SER A 80 -7.461 -7.086 10.523 1.00 0.00 N ATOM 724 CA SER A 80 -6.974 -7.841 9.369 1.00 0.00 C ATOM 725 C SER A 80 -7.809 -7.595 8.100 1.00 0.00 C ATOM 726 O SER A 80 -8.821 -6.916 8.159 1.00 0.00 O ATOM 727 CB SER A 80 -7.048 -9.320 9.723 1.00 0.00 C ATOM 728 OG SER A 80 -6.643 -9.540 11.066 1.00 0.00 O ATOM 0 H SER A 80 -8.199 -7.558 11.046 1.00 0.00 H new ATOM 0 HA SER A 80 -5.956 -7.516 9.152 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.067 -9.681 9.582 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.411 -9.892 9.048 1.00 0.00 H new ATOM 0 HG SER A 80 -6.494 -10.498 11.210 1.00 0.00 H new ATOM 734 N LEU A 81 -7.362 -8.126 6.949 1.00 0.00 N ATOM 735 CA LEU A 81 -8.206 -8.185 5.741 1.00 0.00 C ATOM 736 C LEU A 81 -9.476 -8.977 6.030 1.00 0.00 C ATOM 737 O LEU A 81 -10.563 -8.603 5.600 1.00 0.00 O ATOM 738 CB LEU A 81 -7.475 -8.812 4.540 1.00 0.00 C ATOM 739 CG LEU A 81 -6.704 -7.861 3.609 1.00 0.00 C ATOM 740 CD1 LEU A 81 -5.562 -7.167 4.322 1.00 0.00 C ATOM 741 CD2 LEU A 81 -6.179 -8.625 2.401 1.00 0.00 C ATOM 0 H LEU A 81 -6.428 -8.518 6.829 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.454 -7.157 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.773 -9.553 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.210 -9.349 3.940 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.400 -7.090 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.046 -6.506 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.954 -6.583 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.862 -7.912 4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.635 -7.943 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.511 -9.419 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.015 -9.061 1.854 1.00 0.00 H new ATOM 753 N PHE A 82 -9.331 -10.065 6.779 1.00 0.00 N ATOM 754 CA PHE A 82 -10.485 -10.803 7.286 1.00 0.00 C ATOM 755 C PHE A 82 -11.391 -9.926 8.158 1.00 0.00 C ATOM 756 O PHE A 82 -12.530 -10.284 8.443 1.00 0.00 O ATOM 757 CB PHE A 82 -10.059 -12.050 8.077 1.00 0.00 C ATOM 758 CG PHE A 82 -9.955 -13.312 7.272 1.00 0.00 C ATOM 759 CD1 PHE A 82 -10.143 -13.312 5.903 1.00 0.00 C ATOM 760 CD2 PHE A 82 -9.712 -14.518 7.910 1.00 0.00 C ATOM 761 CE1 PHE A 82 -10.089 -14.492 5.187 1.00 0.00 C ATOM 762 CE2 PHE A 82 -9.652 -15.698 7.197 1.00 0.00 C ATOM 763 CZ PHE A 82 -9.840 -15.683 5.833 1.00 0.00 C ATOM 0 H PHE A 82 -8.428 -10.456 7.049 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.052 -11.119 6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.093 -11.854 8.541 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -10.774 -12.211 8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.334 -12.382 5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.568 -14.535 8.980 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.242 -14.481 4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.458 -16.630 7.707 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.792 -16.604 5.270 1.00 0.00 H new ATOM 773 N ASP A 83 -10.864 -8.807 8.615 1.00 0.00 N ATOM 774 CA ASP A 83 -11.662 -7.862 9.381 1.00 0.00 C ATOM 775 C ASP A 83 -12.016 -6.644 8.524 1.00 0.00 C ATOM 776 O ASP A 83 -12.912 -5.871 8.860 1.00 0.00 O ATOM 777 CB ASP A 83 -10.904 -7.440 10.643 1.00 0.00 C ATOM 778 CG ASP A 83 -11.829 -7.017 11.765 1.00 0.00 C ATOM 779 OD1 ASP A 83 -12.383 -7.906 12.445 1.00 0.00 O ATOM 780 OD2 ASP A 83 -11.987 -5.804 11.995 1.00 0.00 O ATOM 0 H ASP A 83 -9.893 -8.528 8.472 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.592 -8.345 9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.282 -8.268 10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.233 -6.616 10.401 1.00 0.00 H new ATOM 785 N GLN A 84 -11.320 -6.504 7.398 1.00 0.00 N ATOM 786 CA GLN A 84 -11.465 -5.344 6.527 1.00 0.00 C ATOM 787 C GLN A 84 -11.364 -5.744 5.061 1.00 0.00 C ATOM 788 O GLN A 84 -10.266 -5.784 4.498 1.00 0.00 O ATOM 789 CB GLN A 84 -10.368 -4.318 6.819 1.00 0.00 C ATOM 790 CG GLN A 84 -10.532 -3.563 8.127 1.00 0.00 C ATOM 791 CD GLN A 84 -9.224 -3.299 8.822 1.00 0.00 C ATOM 792 OE1 GLN A 84 -9.090 -2.305 9.507 1.00 0.00 O ATOM 793 NE2 GLN A 84 -8.257 -4.185 8.670 1.00 0.00 N ATOM 0 H GLN A 84 -10.642 -7.190 7.066 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.447 -4.913 6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.406 -4.829 6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.337 -3.598 6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.031 -2.614 7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.181 -4.134 8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.407 -5.008 8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.360 -4.046 9.136 1.00 0.00 H new ATOM 802 N GLY A 85 -12.489 -6.058 4.448 1.00 0.00 N ATOM 803 CA GLY A 85 -12.495 -6.253 3.017 1.00 0.00 C ATOM 804 C GLY A 85 -12.705 -7.690 2.593 1.00 0.00 C ATOM 805 O GLY A 85 -13.835 -8.185 2.596 1.00 0.00 O ATOM 0 H GLY A 85 -13.391 -6.181 4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.281 -5.637 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.549 -5.899 2.608 1.00 0.00 H new ATOM 809 N VAL A 86 -11.619 -8.373 2.248 1.00 0.00 N ATOM 810 CA VAL A 86 -11.711 -9.670 1.592 1.00 0.00 C ATOM 811 C VAL A 86 -11.712 -10.816 2.582 1.00 0.00 C ATOM 812 O VAL A 86 -11.187 -10.703 3.689 1.00 0.00 O ATOM 813 CB VAL A 86 -10.539 -9.907 0.619 1.00 0.00 C ATOM 814 CG1 VAL A 86 -10.540 -8.882 -0.503 1.00 0.00 C ATOM 815 CG2 VAL A 86 -9.204 -9.902 1.356 1.00 0.00 C ATOM 0 H VAL A 86 -10.666 -8.049 2.412 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.656 -9.647 1.049 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.675 -10.892 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.702 -9.075 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.474 -8.954 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.445 -7.881 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.395 -10.071 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.062 -8.938 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.199 -10.693 2.106 1.00 0.00 H new ATOM 825 N LYS A 87 -12.294 -11.930 2.167 1.00 0.00 N ATOM 826 CA LYS A 87 -12.205 -13.153 2.933 1.00 0.00 C ATOM 827 C LYS A 87 -11.691 -14.268 2.036 1.00 0.00 C ATOM 828 O LYS A 87 -12.438 -15.160 1.633 1.00 0.00 O ATOM 829 CB LYS A 87 -13.568 -13.534 3.514 1.00 0.00 C ATOM 830 CG LYS A 87 -14.249 -12.404 4.257 1.00 0.00 C ATOM 831 CD LYS A 87 -13.457 -11.952 5.474 1.00 0.00 C ATOM 832 CE LYS A 87 -13.957 -10.601 5.946 1.00 0.00 C ATOM 833 NZ LYS A 87 -15.250 -10.714 6.673 1.00 0.00 N ATOM 0 H LYS A 87 -12.832 -12.008 1.304 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.516 -13.000 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.217 -13.869 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.441 -14.378 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.387 -11.559 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.242 -12.726 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.555 -12.685 6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.397 -11.890 5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.212 -10.145 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.078 -9.939 5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.559 -9.770 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.968 -11.126 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.128 -11.326 7.505 1.00 0.00 H new ATOM 847 N THR A 88 -10.407 -14.210 1.733 1.00 0.00 N ATOM 848 CA THR A 88 -9.767 -15.232 0.934 1.00 0.00 C ATOM 849 C THR A 88 -8.977 -16.159 1.861 1.00 0.00 C ATOM 850 O THR A 88 -9.562 -16.735 2.779 1.00 0.00 O ATOM 851 CB THR A 88 -8.887 -14.604 -0.185 1.00 0.00 C ATOM 852 OG1 THR A 88 -8.138 -15.604 -0.885 1.00 0.00 O ATOM 853 CG2 THR A 88 -7.941 -13.541 0.362 1.00 0.00 C ATOM 0 H THR A 88 -9.785 -13.459 2.032 1.00 0.00 H new ATOM 0 HA THR A 88 -10.520 -15.826 0.417 1.00 0.00 H new ATOM 0 HB THR A 88 -9.572 -14.124 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.856 -15.252 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.346 -13.129 -0.453 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.520 -12.743 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.280 -13.989 1.103 1.00 0.00 H new ATOM 861 N ASP A 89 -7.677 -16.298 1.662 1.00 0.00 N ATOM 862 CA ASP A 89 -6.885 -17.131 2.547 1.00 0.00 C ATOM 863 C ASP A 89 -5.403 -16.803 2.484 1.00 0.00 C ATOM 864 O ASP A 89 -4.787 -16.796 1.419 1.00 0.00 O ATOM 865 CB ASP A 89 -7.108 -18.621 2.245 1.00 0.00 C ATOM 866 CG ASP A 89 -6.867 -18.985 0.791 1.00 0.00 C ATOM 867 OD1 ASP A 89 -7.734 -18.673 -0.054 1.00 0.00 O ATOM 868 OD2 ASP A 89 -5.826 -19.604 0.485 1.00 0.00 O ATOM 0 H ASP A 89 -7.155 -15.852 0.907 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.225 -16.916 3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.446 -19.215 2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.129 -18.890 2.514 1.00 0.00 H new ATOM 873 N GLY A 90 -4.860 -16.466 3.646 1.00 0.00 N ATOM 874 CA GLY A 90 -3.424 -16.433 3.820 1.00 0.00 C ATOM 875 C GLY A 90 -2.810 -15.091 3.509 1.00 0.00 C ATOM 876 O GLY A 90 -3.156 -14.082 4.122 1.00 0.00 O ATOM 0 H GLY A 90 -5.395 -16.213 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.184 -16.703 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.971 -17.188 3.178 1.00 0.00 H new ATOM 880 N THR A 91 -1.888 -15.093 2.564 1.00 0.00 N ATOM 881 CA THR A 91 -1.151 -13.902 2.194 1.00 0.00 C ATOM 882 C THR A 91 -1.574 -13.411 0.814 1.00 0.00 C ATOM 883 O THR A 91 -1.526 -14.164 -0.153 1.00 0.00 O ATOM 884 CB THR A 91 0.362 -14.198 2.189 1.00 0.00 C ATOM 885 OG1 THR A 91 0.784 -14.598 3.501 1.00 0.00 O ATOM 886 CG2 THR A 91 1.168 -12.992 1.727 1.00 0.00 C ATOM 0 H THR A 91 -1.630 -15.923 2.031 1.00 0.00 H new ATOM 0 HA THR A 91 -1.370 -13.125 2.927 1.00 0.00 H new ATOM 0 HB THR A 91 0.543 -15.009 1.483 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.746 -14.787 3.492 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.230 -13.239 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.868 -12.720 0.715 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.984 -12.153 2.398 1.00 0.00 H new ATOM 894 N VAL A 92 -2.014 -12.163 0.729 1.00 0.00 N ATOM 895 CA VAL A 92 -2.316 -11.552 -0.560 1.00 0.00 C ATOM 896 C VAL A 92 -1.218 -10.589 -0.952 1.00 0.00 C ATOM 897 O VAL A 92 -0.421 -10.170 -0.116 1.00 0.00 O ATOM 898 CB VAL A 92 -3.656 -10.800 -0.566 1.00 0.00 C ATOM 899 CG1 VAL A 92 -4.784 -11.743 -0.208 1.00 0.00 C ATOM 900 CG2 VAL A 92 -3.618 -9.595 0.362 1.00 0.00 C ATOM 0 H VAL A 92 -2.170 -11.555 1.533 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.387 -12.369 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.835 -10.421 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.729 -11.199 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.826 -12.553 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.611 -12.157 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.581 -9.085 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.411 -9.926 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.835 -8.910 0.037 1.00 0.00 H new ATOM 910 N GLN A 93 -1.189 -10.238 -2.221 1.00 0.00 N ATOM 911 CA GLN A 93 -0.220 -9.292 -2.722 1.00 0.00 C ATOM 912 C GLN A 93 -0.889 -7.927 -2.827 1.00 0.00 C ATOM 913 O GLN A 93 -1.877 -7.762 -3.542 1.00 0.00 O ATOM 914 CB GLN A 93 0.321 -9.763 -4.077 1.00 0.00 C ATOM 915 CG GLN A 93 1.709 -9.240 -4.421 1.00 0.00 C ATOM 916 CD GLN A 93 1.715 -7.799 -4.890 1.00 0.00 C ATOM 917 OE1 GLN A 93 1.551 -7.520 -6.077 1.00 0.00 O ATOM 918 NE2 GLN A 93 1.941 -6.878 -3.973 1.00 0.00 N ATOM 0 H GLN A 93 -1.831 -10.598 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 93 0.629 -9.217 -2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.345 -10.853 -4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.373 -9.454 -4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.350 -9.331 -3.544 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.142 -9.868 -5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.072 -7.150 -2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.985 -5.894 -4.238 1.00 0.00 H new ATOM 927 N LEU A 94 -0.352 -6.969 -2.089 1.00 0.00 N ATOM 928 CA LEU A 94 -0.948 -5.647 -1.987 1.00 0.00 C ATOM 929 C LEU A 94 -0.251 -4.668 -2.912 1.00 0.00 C ATOM 930 O LEU A 94 0.943 -4.397 -2.754 1.00 0.00 O ATOM 931 CB LEU A 94 -0.870 -5.096 -0.555 1.00 0.00 C ATOM 932 CG LEU A 94 -1.604 -5.887 0.534 1.00 0.00 C ATOM 933 CD1 LEU A 94 -2.943 -6.408 0.046 1.00 0.00 C ATOM 934 CD2 LEU A 94 -0.738 -7.015 1.072 1.00 0.00 C ATOM 0 H LEU A 94 0.504 -7.085 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.994 -5.755 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.181 -5.028 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.265 -4.080 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.805 -5.198 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.431 -6.963 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.573 -5.570 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.788 -7.066 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.285 -7.558 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.482 -7.696 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.175 -6.601 1.499 1.00 0.00 H new ATOM 946 N SER A 95 -0.979 -4.146 -3.884 1.00 0.00 N ATOM 947 CA SER A 95 -0.489 -3.005 -4.633 1.00 0.00 C ATOM 948 C SER A 95 -0.877 -1.736 -3.879 1.00 0.00 C ATOM 949 O SER A 95 -1.814 -1.029 -4.245 1.00 0.00 O ATOM 950 CB SER A 95 -1.046 -3.007 -6.059 1.00 0.00 C ATOM 951 OG SER A 95 -0.515 -4.093 -6.810 1.00 0.00 O ATOM 0 H SER A 95 -1.897 -4.488 -4.169 1.00 0.00 H new ATOM 0 HA SER A 95 0.596 -3.054 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.133 -3.078 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.801 -2.065 -6.551 1.00 0.00 H new ATOM 0 HG SER A 95 -1.250 -4.615 -7.195 1.00 0.00 H new ATOM 957 N VAL A 96 -0.153 -1.497 -2.800 1.00 0.00 N ATOM 958 CA VAL A 96 -0.413 -0.378 -1.905 1.00 0.00 C ATOM 959 C VAL A 96 0.395 0.871 -2.295 1.00 0.00 C ATOM 960 O VAL A 96 1.595 0.801 -2.571 1.00 0.00 O ATOM 961 CB VAL A 96 -0.165 -0.803 -0.434 1.00 0.00 C ATOM 962 CG1 VAL A 96 1.153 -1.555 -0.294 1.00 0.00 C ATOM 963 CG2 VAL A 96 -0.214 0.395 0.502 1.00 0.00 C ATOM 0 H VAL A 96 0.637 -2.076 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.462 -0.098 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.968 -1.481 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.300 -1.840 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.129 -2.450 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.974 -0.913 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.037 0.065 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.554 1.113 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.194 0.867 0.438 1.00 0.00 H new ATOM 973 N GLN A 97 -0.311 1.996 -2.354 1.00 0.00 N ATOM 974 CA GLN A 97 0.253 3.287 -2.736 1.00 0.00 C ATOM 975 C GLN A 97 0.345 4.213 -1.537 1.00 0.00 C ATOM 976 O GLN A 97 -0.446 4.108 -0.606 1.00 0.00 O ATOM 977 CB GLN A 97 -0.632 3.977 -3.775 1.00 0.00 C ATOM 978 CG GLN A 97 -0.624 3.341 -5.149 1.00 0.00 C ATOM 979 CD GLN A 97 -1.110 4.296 -6.225 1.00 0.00 C ATOM 980 OE1 GLN A 97 -2.417 4.388 -6.406 1.00 0.00 O flip ATOM 981 NE2 GLN A 97 -0.317 4.978 -6.866 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.306 2.037 -2.134 1.00 0.00 H new ATOM 0 HA GLN A 97 1.245 3.093 -3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.657 3.992 -3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.313 5.015 -3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.387 3.010 -5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.257 2.453 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.685 4.883 -6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.660 5.640 -7.562 1.00 0.00 H new ATOM 990 N VAL A 98 1.309 5.118 -1.562 1.00 0.00 N ATOM 991 CA VAL A 98 1.370 6.170 -0.582 1.00 0.00 C ATOM 992 C VAL A 98 0.730 7.430 -1.179 1.00 0.00 C ATOM 993 O VAL A 98 1.127 7.911 -2.247 1.00 0.00 O ATOM 994 CB VAL A 98 2.823 6.424 -0.094 1.00 0.00 C ATOM 995 CG1 VAL A 98 3.642 5.144 -0.147 1.00 0.00 C ATOM 996 CG2 VAL A 98 3.518 7.545 -0.849 1.00 0.00 C ATOM 0 H VAL A 98 2.058 5.139 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 98 0.812 5.872 0.305 1.00 0.00 H new ATOM 0 HB VAL A 98 2.749 6.752 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.656 5.346 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.183 4.391 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.675 4.776 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.529 7.673 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.565 7.295 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.960 8.472 -0.719 1.00 0.00 H new ATOM 1006 N ILE A 99 -0.325 7.903 -0.544 1.00 0.00 N ATOM 1007 CA ILE A 99 -1.059 9.049 -1.053 1.00 0.00 C ATOM 1008 C ILE A 99 -0.931 10.264 -0.154 1.00 0.00 C ATOM 1009 O ILE A 99 -1.496 10.291 0.940 1.00 0.00 O ATOM 1010 CB ILE A 99 -2.569 8.768 -1.169 1.00 0.00 C ATOM 1011 CG1 ILE A 99 -2.862 7.477 -1.922 1.00 0.00 C ATOM 1012 CG2 ILE A 99 -3.267 9.929 -1.859 1.00 0.00 C ATOM 1013 CD1 ILE A 99 -4.344 7.174 -1.996 1.00 0.00 C ATOM 0 H ILE A 99 -0.694 7.514 0.324 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.618 9.241 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.951 8.654 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.458 7.549 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.349 6.650 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.334 9.719 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.117 10.840 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.851 10.062 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.498 6.244 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.746 7.073 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.856 7.987 -2.511 1.00 0.00 H new ATOM 1025 N SER A 100 -0.202 11.261 -0.599 1.00 0.00 N ATOM 1026 CA SER A 100 -0.348 12.584 -0.035 1.00 0.00 C ATOM 1027 C SER A 100 -0.866 13.517 -1.136 1.00 0.00 C ATOM 1028 O SER A 100 -0.104 14.097 -1.914 1.00 0.00 O ATOM 1029 CB SER A 100 0.981 13.050 0.571 1.00 0.00 C ATOM 1030 OG SER A 100 2.017 13.074 -0.400 1.00 0.00 O ATOM 0 H SER A 100 0.492 11.184 -1.343 1.00 0.00 H new ATOM 0 HA SER A 100 -1.070 12.587 0.782 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.858 14.045 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.262 12.385 1.388 1.00 0.00 H new ATOM 0 HG SER A 100 1.640 13.301 -1.275 1.00 0.00 H new ATOM 1036 N TYR A 101 -2.189 13.626 -1.202 1.00 0.00 N ATOM 1037 CA TYR A 101 -2.874 14.296 -2.304 1.00 0.00 C ATOM 1038 C TYR A 101 -3.224 15.731 -1.948 1.00 0.00 C ATOM 1039 O TYR A 101 -4.067 15.943 -1.101 1.00 0.00 O ATOM 1040 CB TYR A 101 -4.183 13.554 -2.612 1.00 0.00 C ATOM 1041 CG TYR A 101 -4.237 12.845 -3.949 1.00 0.00 C ATOM 1042 CD1 TYR A 101 -3.490 13.284 -5.034 1.00 0.00 C ATOM 1043 CD2 TYR A 101 -5.070 11.744 -4.128 1.00 0.00 C ATOM 1044 CE1 TYR A 101 -3.572 12.647 -6.258 1.00 0.00 C ATOM 1045 CE2 TYR A 101 -5.152 11.100 -5.342 1.00 0.00 C ATOM 1046 CZ TYR A 101 -4.404 11.553 -6.406 1.00 0.00 C ATOM 1047 OH TYR A 101 -4.500 10.921 -7.624 1.00 0.00 O ATOM 0 H TYR A 101 -2.818 13.252 -0.492 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.205 14.293 -3.164 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.357 12.820 -1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.004 14.270 -2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.835 14.135 -4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.663 11.388 -3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.989 13.002 -7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -5.800 10.244 -5.459 1.00 0.00 H new ATOM 0 HH TYR A 101 -5.127 10.171 -7.555 1.00 0.00 H new ATOM 1057 N GLN A 102 -2.594 16.703 -2.603 1.00 0.00 N ATOM 1058 CA GLN A 102 -2.937 18.132 -2.440 1.00 0.00 C ATOM 1059 C GLN A 102 -3.218 18.531 -0.986 1.00 0.00 C ATOM 1060 O GLN A 102 -4.195 19.227 -0.700 1.00 0.00 O ATOM 1061 CB GLN A 102 -4.134 18.517 -3.327 1.00 0.00 C ATOM 1062 CG GLN A 102 -5.374 17.647 -3.160 1.00 0.00 C ATOM 1063 CD GLN A 102 -6.467 17.981 -4.158 1.00 0.00 C ATOM 1064 OE1 GLN A 102 -6.195 18.409 -5.281 1.00 0.00 O ATOM 1065 NE2 GLN A 102 -7.713 17.789 -3.755 1.00 0.00 N ATOM 0 H GLN A 102 -1.833 16.534 -3.261 1.00 0.00 H new ATOM 0 HA GLN A 102 -2.053 18.685 -2.757 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.405 19.551 -3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -3.820 18.477 -4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.095 16.599 -3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.763 17.767 -2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.896 17.433 -2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.490 17.997 -4.383 1.00 0.00 H new ATOM 1074 N GLY A 103 -2.363 18.095 -0.072 1.00 0.00 N ATOM 1075 CA GLY A 103 -2.550 18.430 1.326 1.00 0.00 C ATOM 1076 C GLY A 103 -3.615 17.578 1.990 1.00 0.00 C ATOM 1077 O GLY A 103 -4.270 18.007 2.939 1.00 0.00 O ATOM 0 H GLY A 103 -1.546 17.518 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.606 18.304 1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.825 19.481 1.411 1.00 0.00 H new ATOM 1081 N MET A 104 -3.807 16.374 1.480 1.00 0.00 N ATOM 1082 CA MET A 104 -4.736 15.434 2.077 1.00 0.00 C ATOM 1083 C MET A 104 -4.036 14.648 3.169 1.00 0.00 C ATOM 1084 O MET A 104 -2.831 14.797 3.370 1.00 0.00 O ATOM 1085 CB MET A 104 -5.333 14.471 1.045 1.00 0.00 C ATOM 1086 CG MET A 104 -6.517 15.055 0.287 1.00 0.00 C ATOM 1087 SD MET A 104 -7.850 15.565 1.389 1.00 0.00 S ATOM 1088 CE MET A 104 -8.318 13.991 2.104 1.00 0.00 C ATOM 0 H MET A 104 -3.329 16.024 0.650 1.00 0.00 H new ATOM 0 HA MET A 104 -5.560 16.010 2.499 1.00 0.00 H new ATOM 0 HB2 MET A 104 -4.558 14.188 0.332 1.00 0.00 H new ATOM 0 HB3 MET A 104 -5.649 13.559 1.551 1.00 0.00 H new ATOM 0 HG2 MET A 104 -6.184 15.912 -0.298 1.00 0.00 H new ATOM 0 HG3 MET A 104 -6.895 14.315 -0.419 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.402 13.947 2.208 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.983 13.182 1.455 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.854 13.885 3.085 1.00 0.00 H new ATOM 1098 N GLU A 105 -4.794 13.828 3.875 1.00 0.00 N ATOM 1099 CA GLU A 105 -4.249 13.006 4.937 1.00 0.00 C ATOM 1100 C GLU A 105 -3.575 11.783 4.336 1.00 0.00 C ATOM 1101 O GLU A 105 -4.246 10.934 3.747 1.00 0.00 O ATOM 1102 CB GLU A 105 -5.361 12.586 5.896 1.00 0.00 C ATOM 1103 CG GLU A 105 -6.148 13.759 6.449 1.00 0.00 C ATOM 1104 CD GLU A 105 -7.279 13.324 7.352 1.00 0.00 C ATOM 1105 OE1 GLU A 105 -8.351 12.962 6.829 1.00 0.00 O ATOM 1106 OE2 GLU A 105 -7.104 13.359 8.588 1.00 0.00 O ATOM 0 H GLU A 105 -5.797 13.714 3.729 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.510 13.579 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.043 11.911 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.926 12.026 6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.476 14.414 7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.552 14.343 5.622 1.00 0.00 H new ATOM 1113 N PRO A 106 -2.232 11.722 4.428 1.00 0.00 N ATOM 1114 CA PRO A 106 -1.431 10.618 3.909 1.00 0.00 C ATOM 1115 C PRO A 106 -2.049 9.251 4.180 1.00 0.00 C ATOM 1116 O PRO A 106 -2.262 8.854 5.329 1.00 0.00 O ATOM 1117 CB PRO A 106 -0.086 10.756 4.635 1.00 0.00 C ATOM 1118 CG PRO A 106 -0.197 11.964 5.509 1.00 0.00 C ATOM 1119 CD PRO A 106 -1.378 12.749 5.020 1.00 0.00 C ATOM 0 HA PRO A 106 -1.347 10.672 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.128 9.867 5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.730 10.867 3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.330 11.675 6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.713 12.563 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.880 13.272 5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.087 13.503 4.289 1.00 0.00 H new ATOM 1127 N LYS A 107 -2.354 8.563 3.099 1.00 0.00 N ATOM 1128 CA LYS A 107 -2.920 7.221 3.150 1.00 0.00 C ATOM 1129 C LYS A 107 -2.040 6.241 2.401 1.00 0.00 C ATOM 1130 O LYS A 107 -1.550 6.553 1.324 1.00 0.00 O ATOM 1131 CB LYS A 107 -4.289 7.200 2.483 1.00 0.00 C ATOM 1132 CG LYS A 107 -5.400 7.855 3.272 1.00 0.00 C ATOM 1133 CD LYS A 107 -6.645 7.980 2.417 1.00 0.00 C ATOM 1134 CE LYS A 107 -6.435 8.943 1.263 1.00 0.00 C ATOM 1135 NZ LYS A 107 -7.722 9.426 0.698 1.00 0.00 N ATOM 0 H LYS A 107 -2.217 8.917 2.152 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.996 6.938 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.211 7.696 1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.565 6.164 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.619 7.266 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.083 8.841 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.920 7.000 2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.477 8.324 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.847 9.795 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.858 8.450 0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.716 10.465 0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.845 9.044 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.507 9.107 1.301 1.00 0.00 H new ATOM 1149 N LEU A 108 -1.840 5.062 2.959 1.00 0.00 N ATOM 1150 CA LEU A 108 -1.265 3.970 2.191 1.00 0.00 C ATOM 1151 C LEU A 108 -2.396 3.061 1.742 1.00 0.00 C ATOM 1152 O LEU A 108 -2.849 2.218 2.508 1.00 0.00 O ATOM 1153 CB LEU A 108 -0.260 3.150 3.028 1.00 0.00 C ATOM 1154 CG LEU A 108 1.084 3.818 3.367 1.00 0.00 C ATOM 1155 CD1 LEU A 108 1.232 5.172 2.695 1.00 0.00 C ATOM 1156 CD2 LEU A 108 1.249 3.948 4.873 1.00 0.00 C ATOM 0 H LEU A 108 -2.063 4.836 3.928 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.727 4.386 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.746 2.875 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.051 2.224 2.493 1.00 0.00 H new ATOM 0 HG LEU A 108 1.874 3.175 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.195 5.607 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.176 5.049 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.431 5.832 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.205 4.422 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.440 4.556 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.221 2.958 5.329 1.00 0.00 H new ATOM 1168 N ASN A 109 -2.830 3.193 0.496 1.00 0.00 N ATOM 1169 CA ASN A 109 -3.978 2.426 0.024 1.00 0.00 C ATOM 1170 C ASN A 109 -3.565 1.230 -0.779 1.00 0.00 C ATOM 1171 O ASN A 109 -2.770 1.323 -1.699 1.00 0.00 O ATOM 1172 CB ASN A 109 -4.948 3.233 -0.833 1.00 0.00 C ATOM 1173 CG ASN A 109 -4.292 3.963 -1.989 1.00 0.00 C ATOM 1174 OD1 ASN A 109 -3.113 4.291 -1.951 1.00 0.00 O ATOM 1175 ND2 ASN A 109 -5.069 4.238 -3.028 1.00 0.00 N ATOM 0 H ASN A 109 -2.413 3.813 -0.198 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.483 2.122 0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.712 2.563 -1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.457 3.960 -0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.688 4.739 -3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.047 3.949 -3.024 1.00 0.00 H new ATOM 1182 N ILE A 110 -4.136 0.111 -0.431 1.00 0.00 N ATOM 1183 CA ILE A 110 -4.012 -1.078 -1.225 1.00 0.00 C ATOM 1184 C ILE A 110 -4.970 -1.006 -2.388 1.00 0.00 C ATOM 1185 O ILE A 110 -6.179 -0.936 -2.195 1.00 0.00 O ATOM 1186 CB ILE A 110 -4.337 -2.313 -0.398 1.00 0.00 C ATOM 1187 CG1 ILE A 110 -3.490 -2.292 0.870 1.00 0.00 C ATOM 1188 CG2 ILE A 110 -4.102 -3.565 -1.222 1.00 0.00 C ATOM 1189 CD1 ILE A 110 -3.733 -3.454 1.799 1.00 0.00 C ATOM 0 H ILE A 110 -4.700 -0.002 0.411 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.985 -1.149 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.388 -2.313 -0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.437 -2.281 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.686 -1.365 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.337 -4.445 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.742 -3.545 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.058 -3.606 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.090 -3.361 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.777 -3.456 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.508 -4.387 1.282 1.00 0.00 H new ATOM 1201 N LEU A 111 -4.447 -1.015 -3.589 1.00 0.00 N ATOM 1202 CA LEU A 111 -5.296 -0.928 -4.756 1.00 0.00 C ATOM 1203 C LEU A 111 -5.632 -2.319 -5.258 1.00 0.00 C ATOM 1204 O LEU A 111 -6.532 -2.485 -6.075 1.00 0.00 O ATOM 1205 CB LEU A 111 -4.634 -0.123 -5.883 1.00 0.00 C ATOM 1206 CG LEU A 111 -4.540 1.389 -5.658 1.00 0.00 C ATOM 1207 CD1 LEU A 111 -5.896 1.970 -5.289 1.00 0.00 C ATOM 1208 CD2 LEU A 111 -3.508 1.704 -4.593 1.00 0.00 C ATOM 0 H LEU A 111 -3.448 -1.081 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 111 -6.208 -0.409 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.627 -0.511 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.189 -0.300 -6.804 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.222 1.854 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.801 3.045 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.605 1.780 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.255 1.502 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.454 2.783 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.793 1.224 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.533 1.332 -4.909 1.00 0.00 H new ATOM 1220 N GLU A 112 -4.940 -3.330 -4.740 1.00 0.00 N ATOM 1221 CA GLU A 112 -5.031 -4.647 -5.325 1.00 0.00 C ATOM 1222 C GLU A 112 -4.750 -5.709 -4.290 1.00 0.00 C ATOM 1223 O GLU A 112 -3.787 -5.607 -3.531 1.00 0.00 O ATOM 1224 CB GLU A 112 -4.049 -4.762 -6.487 1.00 0.00 C ATOM 1225 CG GLU A 112 -3.979 -6.145 -7.102 1.00 0.00 C ATOM 1226 CD GLU A 112 -3.037 -6.191 -8.283 1.00 0.00 C ATOM 1227 OE1 GLU A 112 -1.811 -6.282 -8.065 1.00 0.00 O ATOM 1228 OE2 GLU A 112 -3.516 -6.109 -9.431 1.00 0.00 O ATOM 0 H GLU A 112 -4.323 -3.257 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.044 -4.798 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.331 -4.046 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.055 -4.480 -6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.651 -6.861 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.975 -6.451 -7.421 1.00 0.00 H new ATOM 1235 N ILE A 113 -5.608 -6.708 -4.255 1.00 0.00 N ATOM 1236 CA ILE A 113 -5.453 -7.820 -3.345 1.00 0.00 C ATOM 1237 C ILE A 113 -5.612 -9.128 -4.089 1.00 0.00 C ATOM 1238 O ILE A 113 -6.704 -9.457 -4.555 1.00 0.00 O ATOM 1239 CB ILE A 113 -6.485 -7.764 -2.200 1.00 0.00 C ATOM 1240 CG1 ILE A 113 -6.154 -6.627 -1.240 1.00 0.00 C ATOM 1241 CG2 ILE A 113 -6.546 -9.089 -1.458 1.00 0.00 C ATOM 1242 CD1 ILE A 113 -7.057 -6.602 -0.041 1.00 0.00 C ATOM 0 H ILE A 113 -6.430 -6.770 -4.856 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.454 -7.753 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.466 -7.576 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.120 -6.725 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.231 -5.677 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.281 -9.023 -0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.834 -9.881 -2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.567 -9.315 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.776 -5.773 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.090 -6.475 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.961 -7.540 0.506 1.00 0.00 H new ATOM 1254 N VAL A 114 -4.528 -9.863 -4.225 1.00 0.00 N ATOM 1255 CA VAL A 114 -4.586 -11.173 -4.829 1.00 0.00 C ATOM 1256 C VAL A 114 -3.817 -12.169 -3.975 1.00 0.00 C ATOM 1257 O VAL A 114 -2.614 -12.026 -3.769 1.00 0.00 O ATOM 1258 CB VAL A 114 -4.038 -11.178 -6.279 1.00 0.00 C ATOM 1259 CG1 VAL A 114 -4.994 -10.454 -7.217 1.00 0.00 C ATOM 1260 CG2 VAL A 114 -2.655 -10.540 -6.341 1.00 0.00 C ATOM 0 H VAL A 114 -3.597 -9.574 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.635 -11.464 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.952 -12.216 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -4.591 -10.469 -8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.963 -10.953 -7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -5.113 -9.421 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.293 -10.556 -7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.714 -9.509 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.968 -11.099 -5.705 1.00 0.00 H new ATOM 1270 N LYS A 115 -4.541 -13.133 -3.422 1.00 0.00 N ATOM 1271 CA LYS A 115 -3.940 -14.135 -2.562 1.00 0.00 C ATOM 1272 C LYS A 115 -2.799 -14.846 -3.271 1.00 0.00 C ATOM 1273 O LYS A 115 -2.973 -15.462 -4.322 1.00 0.00 O ATOM 1274 CB LYS A 115 -4.975 -15.149 -2.063 1.00 0.00 C ATOM 1275 CG LYS A 115 -5.584 -15.999 -3.161 1.00 0.00 C ATOM 1276 CD LYS A 115 -5.770 -17.436 -2.713 1.00 0.00 C ATOM 1277 CE LYS A 115 -4.465 -18.046 -2.222 1.00 0.00 C ATOM 1278 NZ LYS A 115 -4.608 -19.486 -1.891 1.00 0.00 N ATOM 0 H LYS A 115 -5.547 -13.240 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.538 -13.615 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.503 -15.804 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.772 -14.615 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.547 -15.581 -3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.943 -15.972 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.513 -17.476 -1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.159 -18.028 -3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.699 -17.925 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.122 -17.505 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.719 -19.838 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.378 -19.609 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.827 -20.021 -2.756 1.00 0.00 H new ATOM 1292 N THR A 116 -1.631 -14.707 -2.683 1.00 0.00 N ATOM 1293 CA THR A 116 -0.418 -15.353 -3.152 1.00 0.00 C ATOM 1294 C THR A 116 0.041 -14.817 -4.512 1.00 0.00 C ATOM 1295 O THR A 116 0.958 -13.999 -4.599 1.00 0.00 O ATOM 1296 CB THR A 116 -0.638 -16.874 -3.225 1.00 0.00 C ATOM 1297 OG1 THR A 116 -0.862 -17.391 -1.908 1.00 0.00 O ATOM 1298 CG2 THR A 116 0.540 -17.567 -3.870 1.00 0.00 C ATOM 0 H THR A 116 -1.492 -14.133 -1.851 1.00 0.00 H new ATOM 0 HA THR A 116 0.374 -15.127 -2.438 1.00 0.00 H new ATOM 0 HB THR A 116 -1.515 -17.068 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.004 -18.359 -1.956 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.355 -18.641 -3.907 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.676 -17.187 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.440 -17.374 -3.286 1.00 0.00 H new ATOM 1306 N ALA A 117 -0.634 -15.268 -5.548 1.00 0.00 N ATOM 1307 CA ALA A 117 -0.292 -14.967 -6.923 1.00 0.00 C ATOM 1308 C ALA A 117 -1.418 -15.484 -7.783 1.00 0.00 C ATOM 1309 O ALA A 117 -1.774 -14.891 -8.797 1.00 0.00 O ATOM 1310 CB ALA A 117 1.029 -15.614 -7.315 1.00 0.00 C ATOM 0 H ALA A 117 -1.454 -15.867 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.165 -13.893 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.260 -15.371 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.823 -15.240 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.951 -16.696 -7.205 1.00 0.00 H new ATOM 1316 N GLU A 118 -1.962 -16.617 -7.341 1.00 0.00 N ATOM 1317 CA GLU A 118 -3.210 -17.152 -7.859 1.00 0.00 C ATOM 1318 C GLU A 118 -4.343 -16.171 -7.570 1.00 0.00 C ATOM 1319 O GLU A 118 -5.002 -16.242 -6.531 1.00 0.00 O ATOM 1320 CB GLU A 118 -3.480 -18.518 -7.220 1.00 0.00 C ATOM 1321 CG GLU A 118 -3.267 -18.532 -5.711 1.00 0.00 C ATOM 1322 CD GLU A 118 -3.356 -19.917 -5.107 1.00 0.00 C ATOM 1323 OE1 GLU A 118 -2.352 -20.656 -5.162 1.00 0.00 O ATOM 1324 OE2 GLU A 118 -4.415 -20.260 -4.547 1.00 0.00 O ATOM 0 H GLU A 118 -1.543 -17.190 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 118 -3.143 -17.286 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.505 -18.817 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.828 -19.261 -7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.289 -18.107 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.011 -17.889 -5.240 1.00 0.00 H new ATOM 1331 N THR A 119 -4.529 -15.251 -8.502 1.00 0.00 N ATOM 1332 CA THR A 119 -5.438 -14.118 -8.354 1.00 0.00 C ATOM 1333 C THR A 119 -6.770 -14.471 -7.686 1.00 0.00 C ATOM 1334 O THR A 119 -7.585 -15.220 -8.228 1.00 0.00 O ATOM 1335 CB THR A 119 -5.712 -13.449 -9.728 1.00 0.00 C ATOM 1336 OG1 THR A 119 -6.652 -12.371 -9.591 1.00 0.00 O ATOM 1337 CG2 THR A 119 -6.241 -14.454 -10.744 1.00 0.00 C ATOM 0 H THR A 119 -4.046 -15.268 -9.400 1.00 0.00 H new ATOM 0 HA THR A 119 -4.926 -13.422 -7.689 1.00 0.00 H new ATOM 0 HB THR A 119 -4.761 -13.057 -10.089 1.00 0.00 H new ATOM 0 HG1 THR A 119 -6.810 -11.962 -10.467 1.00 0.00 H new ATOM 0 HG21 THR A 119 -6.421 -13.951 -11.694 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.507 -15.247 -10.887 1.00 0.00 H new ATOM 0 HG23 THR A 119 -7.173 -14.884 -10.379 1.00 0.00 H new ATOM 1345 N VAL A 120 -6.963 -13.956 -6.479 1.00 0.00 N ATOM 1346 CA VAL A 120 -8.295 -13.907 -5.899 1.00 0.00 C ATOM 1347 C VAL A 120 -8.947 -12.592 -6.312 1.00 0.00 C ATOM 1348 O VAL A 120 -8.246 -11.624 -6.615 1.00 0.00 O ATOM 1349 CB VAL A 120 -8.286 -14.027 -4.357 1.00 0.00 C ATOM 1350 CG1 VAL A 120 -7.689 -12.784 -3.711 1.00 0.00 C ATOM 1351 CG2 VAL A 120 -9.693 -14.282 -3.835 1.00 0.00 C ATOM 0 H VAL A 120 -6.224 -13.571 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 120 -8.858 -14.763 -6.272 1.00 0.00 H new ATOM 0 HB VAL A 120 -7.657 -14.876 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.696 -12.898 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.663 -12.652 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -8.280 -11.911 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -9.669 -14.364 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -10.343 -13.455 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.076 -15.210 -4.260 1.00 0.00 H new ATOM 1361 N GLU A 121 -10.268 -12.555 -6.352 1.00 0.00 N ATOM 1362 CA GLU A 121 -10.973 -11.367 -6.796 1.00 0.00 C ATOM 1363 C GLU A 121 -12.114 -11.038 -5.848 1.00 0.00 C ATOM 1364 O GLU A 121 -12.410 -11.804 -4.927 1.00 0.00 O ATOM 1365 CB GLU A 121 -11.514 -11.573 -8.212 1.00 0.00 C ATOM 1366 CG GLU A 121 -10.449 -11.988 -9.213 1.00 0.00 C ATOM 1367 CD GLU A 121 -10.998 -12.166 -10.608 1.00 0.00 C ATOM 1368 OE1 GLU A 121 -11.773 -13.119 -10.831 1.00 0.00 O ATOM 1369 OE2 GLU A 121 -10.654 -11.353 -11.488 1.00 0.00 O ATOM 0 H GLU A 121 -10.872 -13.332 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.272 -10.532 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.294 -12.334 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.981 -10.649 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -9.660 -11.236 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -9.992 -12.922 -8.885 1.00 0.00 H new ATOM 1376 N TRP A 122 -12.736 -9.893 -6.072 1.00 0.00 N ATOM 1377 CA TRP A 122 -13.889 -9.478 -5.291 1.00 0.00 C ATOM 1378 C TRP A 122 -15.131 -10.207 -5.780 1.00 0.00 C ATOM 1379 O TRP A 122 -15.616 -11.103 -5.059 1.00 0.00 O ATOM 1380 CB TRP A 122 -14.096 -7.964 -5.389 1.00 0.00 C ATOM 1381 CG TRP A 122 -13.248 -7.158 -4.446 1.00 0.00 C ATOM 1382 CD1 TRP A 122 -13.700 -6.369 -3.429 1.00 0.00 C ATOM 1383 CD2 TRP A 122 -11.818 -7.050 -4.432 1.00 0.00 C ATOM 1384 NE1 TRP A 122 -12.644 -5.772 -2.786 1.00 0.00 N ATOM 1385 CE2 TRP A 122 -11.479 -6.175 -3.381 1.00 0.00 C ATOM 1386 CE3 TRP A 122 -10.791 -7.607 -5.197 1.00 0.00 C ATOM 1387 CZ2 TRP A 122 -10.161 -5.844 -3.086 1.00 0.00 C ATOM 1388 CZ3 TRP A 122 -9.485 -7.278 -4.905 1.00 0.00 C ATOM 1389 CH2 TRP A 122 -9.178 -6.404 -3.855 1.00 0.00 C ATOM 1390 OXT TRP A 122 -15.596 -9.906 -6.898 1.00 0.00 O ATOM 0 H TRP A 122 -12.459 -9.229 -6.795 1.00 0.00 H new ATOM 0 HA TRP A 122 -13.710 -9.731 -4.246 1.00 0.00 H new ATOM 0 HB2 TRP A 122 -13.885 -7.646 -6.410 1.00 0.00 H new ATOM 0 HB3 TRP A 122 -15.145 -7.740 -5.196 1.00 0.00 H new ATOM 0 HD1 TRP A 122 -14.739 -6.233 -3.167 1.00 0.00 H new ATOM 0 HE1 TRP A 122 -12.716 -5.133 -1.994 1.00 0.00 H new ATOM 0 HE3 TRP A 122 -11.017 -8.286 -6.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 -9.922 -5.168 -2.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 -8.686 -7.701 -5.495 1.00 0.00 H new ATOM 0 HH2 TRP A 122 -8.145 -6.167 -3.648 1.00 0.00 H new TER 1401 TRP A 122