USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 776 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 82 GLN : amide:sc= 0.125 X(o=0.22,f=-0.08) USER MOD Set 1.2: A 85 ASN : amide:sc= 0.0991 K(o=0.22,f=-1.1) USER MOD Set 2.1: A 69 SER OG : rot -118:sc= -0.0395 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.112 USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-4.3!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 0.929 (180deg=0.923) USER MOD Single : A 10 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.0088) USER MOD Single : A 11 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0868) USER MOD Single : A 25 TYR OH : rot 165:sc= -0.568 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -74:sc= -0.102 USER MOD Single : A 34 THR OG1 : rot 73:sc= 0.393 USER MOD Single : A 38 GLN : amide:sc= -0.876 X(o=-0.88,f=-0.71) USER MOD Single : A 43 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-3!) USER MOD Single : A 44 TYR OH : rot -95:sc= 0.624 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.843 K(o=-0.84,f=-6.2!) USER MOD Single : A 47 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.61) USER MOD Single : A 50 SER OG : rot -76:sc= 0.989 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.34 K(o=-1.3,f=-6.4!) USER MOD Single : A 56 GLN : amide:sc= 0.691 K(o=0.69,f=-6.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -156:sc= -0.0286 (180deg=-0.421) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 30:sc= 0.223 USER MOD Single : A 88 HIS : no HD1:sc= -0.425 K(o=-0.43,f=-1.3) USER MOD Single : A 89 HIS : no HE2:sc= -0.295 X(o=-0.29,f=-0.13) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.21) USER MOD Single : A 92 HIS : no HD1:sc= -0.0823 X(o=-0.082,f=0.0063) USER MOD Single : A 93 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 8.138 -20.513 1.537 1.00 0.00 N ATOM 2 CA GLN A 1 7.412 -19.274 1.935 1.00 0.00 C ATOM 3 C GLN A 1 6.003 -19.240 1.347 1.00 0.00 C ATOM 4 O GLN A 1 5.815 -19.484 0.152 1.00 0.00 O ATOM 5 CB GLN A 1 8.214 -18.060 1.451 1.00 0.00 C ATOM 6 CG GLN A 1 8.198 -16.887 2.422 1.00 0.00 C ATOM 7 CD GLN A 1 7.155 -15.847 2.057 1.00 0.00 C ATOM 8 OE1 GLN A 1 5.972 -16.159 1.921 1.00 0.00 O ATOM 9 NE2 GLN A 1 7.586 -14.600 1.897 1.00 0.00 N ATOM 0 H1 GLN A 1 9.091 -20.505 1.952 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.618 -21.346 1.880 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.212 -20.554 0.500 1.00 0.00 H new ATOM 0 HA GLN A 1 7.314 -19.254 3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 1 9.247 -18.363 1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 1 7.814 -17.731 0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.003 -17.255 3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.183 -16.420 2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 1 8.575 -14.383 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 1 6.928 -13.860 1.652 1.00 0.00 H new ATOM 18 N SER A 2 5.016 -18.933 2.188 1.00 0.00 N ATOM 19 CA SER A 2 3.627 -18.862 1.753 1.00 0.00 C ATOM 20 C SER A 2 2.845 -17.843 2.582 1.00 0.00 C ATOM 21 O SER A 2 3.130 -17.651 3.766 1.00 0.00 O ATOM 22 CB SER A 2 2.973 -20.239 1.862 1.00 0.00 C ATOM 23 OG SER A 2 1.730 -20.266 1.187 1.00 0.00 O ATOM 0 H SER A 2 5.156 -18.729 3.178 1.00 0.00 H new ATOM 0 HA SER A 2 3.611 -18.539 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.636 -20.995 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.826 -20.494 2.912 1.00 0.00 H new ATOM 0 HG SER A 2 1.332 -21.158 1.270 1.00 0.00 H new ATOM 29 N ASP A 3 1.864 -17.193 1.949 1.00 0.00 N ATOM 30 CA ASP A 3 1.031 -16.185 2.614 1.00 0.00 C ATOM 31 C ASP A 3 1.879 -15.017 3.118 1.00 0.00 C ATOM 32 O ASP A 3 2.407 -15.051 4.231 1.00 0.00 O ATOM 33 CB ASP A 3 0.240 -16.803 3.771 1.00 0.00 C ATOM 34 CG ASP A 3 -1.246 -16.508 3.673 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.622 -15.319 3.763 1.00 0.00 O ATOM 36 OD2 ASP A 3 -2.031 -17.463 3.507 1.00 0.00 O ATOM 0 H ASP A 3 1.626 -17.348 0.969 1.00 0.00 H new ATOM 0 HA ASP A 3 0.324 -15.804 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.395 -17.882 3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.623 -16.419 4.717 1.00 0.00 H new ATOM 41 N VAL A 4 2.006 -13.989 2.284 1.00 0.00 N ATOM 42 CA VAL A 4 2.790 -12.807 2.630 1.00 0.00 C ATOM 43 C VAL A 4 1.961 -11.820 3.451 1.00 0.00 C ATOM 44 O VAL A 4 0.886 -11.394 3.022 1.00 0.00 O ATOM 45 CB VAL A 4 3.326 -12.095 1.370 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.324 -11.012 1.747 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.966 -13.094 0.418 1.00 0.00 C ATOM 0 H VAL A 4 1.575 -13.951 1.361 1.00 0.00 H new ATOM 0 HA VAL A 4 3.635 -13.151 3.226 1.00 0.00 H new ATOM 0 HB VAL A 4 2.483 -11.626 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.689 -10.523 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.838 -10.276 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.162 -11.460 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.337 -12.571 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.795 -13.594 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.225 -13.834 0.115 1.00 0.00 H new ATOM 57 N ARG A 5 2.467 -11.460 4.631 1.00 0.00 N ATOM 58 CA ARG A 5 1.776 -10.521 5.513 1.00 0.00 C ATOM 59 C ARG A 5 2.243 -9.091 5.257 1.00 0.00 C ATOM 60 O ARG A 5 3.417 -8.769 5.450 1.00 0.00 O ATOM 61 CB ARG A 5 2.008 -10.895 6.979 1.00 0.00 C ATOM 62 CG ARG A 5 0.758 -11.394 7.686 1.00 0.00 C ATOM 63 CD ARG A 5 1.074 -12.532 8.643 1.00 0.00 C ATOM 64 NE ARG A 5 0.221 -12.502 9.829 1.00 0.00 N ATOM 65 CZ ARG A 5 0.415 -11.690 10.873 1.00 0.00 C ATOM 66 NH1 ARG A 5 1.440 -10.840 10.886 1.00 0.00 N ATOM 67 NH2 ARG A 5 -0.420 -11.729 11.906 1.00 0.00 N ATOM 0 H ARG A 5 3.354 -11.805 4.998 1.00 0.00 H new ATOM 0 HA ARG A 5 0.709 -10.579 5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.777 -11.666 7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.393 -10.025 7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.298 -10.573 8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.031 -11.730 6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.946 -13.484 8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.119 -12.471 8.946 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.573 -13.141 9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.084 -10.805 10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.581 -10.224 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -1.207 -12.378 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.274 -11.110 12.704 1.00 0.00 H new ATOM 81 N ILE A 6 1.317 -8.237 4.823 1.00 0.00 N ATOM 82 CA ILE A 6 1.629 -6.840 4.538 1.00 0.00 C ATOM 83 C ILE A 6 1.122 -5.924 5.652 1.00 0.00 C ATOM 84 O ILE A 6 -0.039 -6.012 6.060 1.00 0.00 O ATOM 85 CB ILE A 6 1.017 -6.390 3.191 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.335 -7.406 2.087 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.529 -5.007 2.803 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.108 -7.925 1.369 1.00 0.00 C ATOM 0 H ILE A 6 0.342 -8.491 4.661 1.00 0.00 H new ATOM 0 HA ILE A 6 2.715 -6.763 4.477 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.065 -6.336 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.002 -6.943 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.873 -8.247 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.087 -4.709 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.253 -4.287 3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.614 -5.035 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.410 -8.639 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.551 -8.418 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.420 -7.093 0.903 1.00 0.00 H new ATOM 100 N LYS A 7 1.999 -5.043 6.136 1.00 0.00 N ATOM 101 CA LYS A 7 1.647 -4.105 7.200 1.00 0.00 C ATOM 102 C LYS A 7 1.590 -2.675 6.663 1.00 0.00 C ATOM 103 O LYS A 7 2.608 -2.113 6.255 1.00 0.00 O ATOM 104 CB LYS A 7 2.662 -4.200 8.347 1.00 0.00 C ATOM 105 CG LYS A 7 2.238 -3.455 9.606 1.00 0.00 C ATOM 106 CD LYS A 7 3.234 -2.365 9.972 1.00 0.00 C ATOM 107 CE LYS A 7 3.514 -2.342 11.467 1.00 0.00 C ATOM 108 NZ LYS A 7 4.146 -1.065 11.899 1.00 0.00 N ATOM 0 H LYS A 7 2.961 -4.960 5.806 1.00 0.00 H new ATOM 0 HA LYS A 7 0.660 -4.370 7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.821 -5.250 8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.619 -3.804 8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.253 -3.013 9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.147 -4.159 10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.166 -2.525 9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.845 -1.396 9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.581 -2.487 12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.167 -3.175 11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.366 -1.112 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.023 -0.913 11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.491 -0.277 11.723 1.00 0.00 H new ATOM 122 N PHE A 8 0.395 -2.088 6.671 1.00 0.00 N ATOM 123 CA PHE A 8 0.213 -0.721 6.185 1.00 0.00 C ATOM 124 C PHE A 8 -0.173 0.220 7.324 1.00 0.00 C ATOM 125 O PHE A 8 -0.859 -0.180 8.267 1.00 0.00 O ATOM 126 CB PHE A 8 -0.843 -0.668 5.073 1.00 0.00 C ATOM 127 CG PHE A 8 -2.075 -1.488 5.348 1.00 0.00 C ATOM 128 CD1 PHE A 8 -3.153 -0.939 6.023 1.00 0.00 C ATOM 129 CD2 PHE A 8 -2.156 -2.803 4.921 1.00 0.00 C ATOM 130 CE1 PHE A 8 -4.287 -1.689 6.270 1.00 0.00 C ATOM 131 CE2 PHE A 8 -3.285 -3.557 5.166 1.00 0.00 C ATOM 132 CZ PHE A 8 -4.354 -2.999 5.841 1.00 0.00 C ATOM 0 H PHE A 8 -0.458 -2.535 7.007 1.00 0.00 H new ATOM 0 HA PHE A 8 1.166 -0.389 5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.139 0.370 4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.392 -1.013 4.143 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.107 0.086 6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.325 -3.244 4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.120 -1.250 6.798 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.333 -4.582 4.831 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.240 -3.587 6.032 1.00 0.00 H new ATOM 142 N GLU A 9 0.274 1.471 7.226 1.00 0.00 N ATOM 143 CA GLU A 9 -0.020 2.475 8.245 1.00 0.00 C ATOM 144 C GLU A 9 -0.686 3.702 7.631 1.00 0.00 C ATOM 145 O GLU A 9 -0.366 4.103 6.508 1.00 0.00 O ATOM 146 CB GLU A 9 1.261 2.880 8.982 1.00 0.00 C ATOM 147 CG GLU A 9 1.335 2.344 10.405 1.00 0.00 C ATOM 148 CD GLU A 9 2.716 2.465 11.020 1.00 0.00 C ATOM 149 OE1 GLU A 9 3.407 3.472 10.750 1.00 0.00 O ATOM 150 OE2 GLU A 9 3.108 1.552 11.779 1.00 0.00 O ATOM 0 H GLU A 9 0.841 1.813 6.450 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.714 2.034 8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.123 2.520 8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.328 3.968 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.620 2.883 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.034 1.296 10.407 1.00 0.00 H new ATOM 157 N HIS A 10 -1.619 4.290 8.378 1.00 0.00 N ATOM 158 CA HIS A 10 -2.347 5.470 7.924 1.00 0.00 C ATOM 159 C HIS A 10 -2.546 6.457 9.074 1.00 0.00 C ATOM 160 O HIS A 10 -3.287 6.182 10.019 1.00 0.00 O ATOM 161 CB HIS A 10 -3.704 5.055 7.347 1.00 0.00 C ATOM 162 CG HIS A 10 -4.515 6.202 6.825 1.00 0.00 C ATOM 163 ND1 HIS A 10 -5.797 6.470 7.254 1.00 0.00 N ATOM 164 CD2 HIS A 10 -4.223 7.149 5.902 1.00 0.00 C ATOM 165 CE1 HIS A 10 -6.260 7.529 6.616 1.00 0.00 C ATOM 166 NE2 HIS A 10 -5.324 7.960 5.792 1.00 0.00 N ATOM 0 H HIS A 10 -1.889 3.964 9.306 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.762 5.961 7.147 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.542 4.340 6.541 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.275 4.540 8.120 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.297 7.247 5.355 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.238 7.968 6.746 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.406 8.766 5.173 1.00 0.00 H new ATOM 175 N ASN A 11 -1.875 7.608 8.982 1.00 0.00 N ATOM 176 CA ASN A 11 -1.967 8.651 10.008 1.00 0.00 C ATOM 177 C ASN A 11 -1.630 8.105 11.402 1.00 0.00 C ATOM 178 O ASN A 11 -2.207 8.537 12.403 1.00 0.00 O ATOM 179 CB ASN A 11 -3.370 9.272 10.010 1.00 0.00 C ATOM 180 CG ASN A 11 -3.499 10.436 9.042 1.00 0.00 C ATOM 181 OD1 ASN A 11 -2.514 11.096 8.710 1.00 0.00 O ATOM 182 ND2 ASN A 11 -4.720 10.697 8.585 1.00 0.00 N ATOM 0 H ASN A 11 -1.259 7.842 8.203 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.234 9.420 9.765 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.102 8.507 9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.610 9.614 11.017 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.867 11.469 7.934 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.510 10.126 8.885 1.00 0.00 H new ATOM 189 N GLY A 12 -0.696 7.154 11.461 1.00 0.00 N ATOM 190 CA GLY A 12 -0.304 6.570 12.733 1.00 0.00 C ATOM 191 C GLY A 12 -0.870 5.173 12.938 1.00 0.00 C ATOM 192 O GLY A 12 -0.166 4.281 13.416 1.00 0.00 O ATOM 0 H GLY A 12 -0.205 6.779 10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.784 6.528 12.789 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.640 7.216 13.544 1.00 0.00 H new ATOM 196 N GLU A 13 -2.141 4.983 12.581 1.00 0.00 N ATOM 197 CA GLU A 13 -2.799 3.685 12.733 1.00 0.00 C ATOM 198 C GLU A 13 -2.148 2.631 11.839 1.00 0.00 C ATOM 199 O GLU A 13 -1.859 2.890 10.669 1.00 0.00 O ATOM 200 CB GLU A 13 -4.291 3.799 12.407 1.00 0.00 C ATOM 201 CG GLU A 13 -5.196 3.639 13.621 1.00 0.00 C ATOM 202 CD GLU A 13 -5.495 4.956 14.320 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.576 5.796 14.434 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.651 5.144 14.754 1.00 0.00 O ATOM 0 H GLU A 13 -2.735 5.711 12.185 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.686 3.372 13.771 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.481 4.770 11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.551 3.041 11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.134 3.179 13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.726 2.957 14.330 1.00 0.00 H new ATOM 211 N ARG A 14 -1.916 1.444 12.398 1.00 0.00 N ATOM 212 CA ARG A 14 -1.293 0.347 11.656 1.00 0.00 C ATOM 213 C ARG A 14 -2.253 -0.831 11.481 1.00 0.00 C ATOM 214 O ARG A 14 -3.168 -1.026 12.284 1.00 0.00 O ATOM 215 CB ARG A 14 -0.018 -0.120 12.370 1.00 0.00 C ATOM 216 CG ARG A 14 -0.249 -0.592 13.799 1.00 0.00 C ATOM 217 CD ARG A 14 0.897 -1.456 14.297 1.00 0.00 C ATOM 218 NE ARG A 14 1.823 -0.705 15.144 1.00 0.00 N ATOM 219 CZ ARG A 14 1.590 -0.411 16.426 1.00 0.00 C ATOM 220 NH1 ARG A 14 0.455 -0.788 17.011 1.00 0.00 N ATOM 221 NH2 ARG A 14 2.493 0.271 17.122 1.00 0.00 N ATOM 0 H ARG A 14 -2.150 1.216 13.364 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.036 0.722 10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.431 -0.932 11.798 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.702 0.699 12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.365 0.272 14.453 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.180 -1.157 13.850 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.497 -2.301 14.858 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.438 -1.867 13.445 1.00 0.00 H new ATOM 0 HE ARG A 14 2.700 -0.387 14.731 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.245 -1.306 16.480 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.286 -0.559 17.990 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.361 0.569 16.677 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.318 0.497 18.101 1.00 0.00 H new ATOM 235 N ARG A 15 -2.033 -1.618 10.425 1.00 0.00 N ATOM 236 CA ARG A 15 -2.870 -2.780 10.137 1.00 0.00 C ATOM 237 C ARG A 15 -2.084 -3.853 9.384 1.00 0.00 C ATOM 238 O ARG A 15 -1.334 -3.550 8.454 1.00 0.00 O ATOM 239 CB ARG A 15 -4.096 -2.364 9.319 1.00 0.00 C ATOM 240 CG ARG A 15 -5.349 -2.160 10.157 1.00 0.00 C ATOM 241 CD ARG A 15 -6.426 -3.179 9.814 1.00 0.00 C ATOM 242 NE ARG A 15 -7.048 -3.750 11.010 1.00 0.00 N ATOM 243 CZ ARG A 15 -8.220 -4.394 11.011 1.00 0.00 C ATOM 244 NH1 ARG A 15 -8.905 -4.556 9.882 1.00 0.00 N ATOM 245 NH2 ARG A 15 -8.708 -4.877 12.148 1.00 0.00 N ATOM 0 H ARG A 15 -1.279 -1.469 9.754 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.199 -3.199 11.088 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.871 -1.440 8.787 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.294 -3.125 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.097 -2.239 11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.735 -1.154 9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.191 -2.704 9.200 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.990 -3.979 9.216 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.557 -3.650 11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.537 -4.187 9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.798 -5.049 9.894 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.189 -4.756 13.018 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.602 -5.369 12.151 1.00 0.00 H new ATOM 259 N ILE A 16 -2.262 -5.110 9.795 1.00 0.00 N ATOM 260 CA ILE A 16 -1.574 -6.237 9.166 1.00 0.00 C ATOM 261 C ILE A 16 -2.565 -7.166 8.465 1.00 0.00 C ATOM 262 O ILE A 16 -3.530 -7.630 9.074 1.00 0.00 O ATOM 263 CB ILE A 16 -0.762 -7.054 10.196 1.00 0.00 C ATOM 264 CG1 ILE A 16 0.095 -6.131 11.069 1.00 0.00 C ATOM 265 CG2 ILE A 16 0.115 -8.081 9.491 1.00 0.00 C ATOM 266 CD1 ILE A 16 0.658 -6.812 12.300 1.00 0.00 C ATOM 0 H ILE A 16 -2.879 -5.373 10.563 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.890 -5.815 8.430 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.465 -7.581 10.841 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.919 -5.741 10.471 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.506 -5.277 11.380 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.680 -8.647 10.232 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.513 -8.761 8.915 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.806 -7.570 8.821 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.254 -6.099 12.870 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.161 -7.178 12.920 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.287 -7.649 11.997 1.00 0.00 H new ATOM 278 N ILE A 17 -2.316 -7.438 7.181 1.00 0.00 N ATOM 279 CA ILE A 17 -3.183 -8.316 6.395 1.00 0.00 C ATOM 280 C ILE A 17 -2.367 -9.377 5.654 1.00 0.00 C ATOM 281 O ILE A 17 -1.376 -9.060 4.993 1.00 0.00 O ATOM 282 CB ILE A 17 -4.022 -7.519 5.369 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.722 -6.333 6.044 1.00 0.00 C ATOM 284 CG2 ILE A 17 -5.041 -8.427 4.692 1.00 0.00 C ATOM 285 CD1 ILE A 17 -5.754 -6.736 7.078 1.00 0.00 C ATOM 0 H ILE A 17 -1.521 -7.062 6.665 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.857 -8.803 7.100 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.348 -7.128 4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.971 -5.704 6.521 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.206 -5.726 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.622 -7.849 3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.522 -9.234 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.709 -8.849 5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.204 -5.842 7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.528 -7.339 6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.273 -7.317 7.865 1.00 0.00 H new ATOM 297 N ALA A 18 -2.793 -10.637 5.768 1.00 0.00 N ATOM 298 CA ALA A 18 -2.107 -11.746 5.108 1.00 0.00 C ATOM 299 C ALA A 18 -2.762 -12.080 3.769 1.00 0.00 C ATOM 300 O ALA A 18 -3.988 -12.174 3.676 1.00 0.00 O ATOM 301 CB ALA A 18 -2.092 -12.972 6.011 1.00 0.00 C ATOM 0 H ALA A 18 -3.610 -10.913 6.312 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.079 -11.439 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.578 -13.790 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.572 -12.734 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.116 -13.271 6.236 1.00 0.00 H new ATOM 307 N PHE A 19 -1.938 -12.258 2.735 1.00 0.00 N ATOM 308 CA PHE A 19 -2.435 -12.582 1.399 1.00 0.00 C ATOM 309 C PHE A 19 -1.752 -13.832 0.843 1.00 0.00 C ATOM 310 O PHE A 19 -0.523 -13.891 0.756 1.00 0.00 O ATOM 311 CB PHE A 19 -2.215 -11.400 0.450 1.00 0.00 C ATOM 312 CG PHE A 19 -3.378 -10.447 0.393 1.00 0.00 C ATOM 313 CD1 PHE A 19 -4.444 -10.686 -0.459 1.00 0.00 C ATOM 314 CD2 PHE A 19 -3.403 -9.315 1.192 1.00 0.00 C ATOM 315 CE1 PHE A 19 -5.515 -9.813 -0.512 1.00 0.00 C ATOM 316 CE2 PHE A 19 -4.470 -8.439 1.145 1.00 0.00 C ATOM 317 CZ PHE A 19 -5.527 -8.689 0.291 1.00 0.00 C ATOM 0 H PHE A 19 -0.923 -12.183 2.798 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.503 -12.784 1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.325 -10.855 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.019 -11.781 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.438 -11.564 -1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.578 -9.115 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.341 -10.010 -1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.478 -7.561 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.362 -8.006 0.251 1.00 0.00 H new ATOM 327 N SER A 20 -2.558 -14.824 0.465 1.00 0.00 N ATOM 328 CA SER A 20 -2.039 -16.076 -0.086 1.00 0.00 C ATOM 329 C SER A 20 -1.695 -15.923 -1.569 1.00 0.00 C ATOM 330 O SER A 20 -2.313 -15.130 -2.281 1.00 0.00 O ATOM 331 CB SER A 20 -3.059 -17.203 0.098 1.00 0.00 C ATOM 332 OG SER A 20 -2.415 -18.445 0.319 1.00 0.00 O ATOM 0 H SER A 20 -3.575 -14.785 0.530 1.00 0.00 H new ATOM 0 HA SER A 20 -1.127 -16.328 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.711 -16.973 0.941 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.693 -17.271 -0.786 1.00 0.00 H new ATOM 0 HG SER A 20 -3.089 -19.147 0.435 1.00 0.00 H new ATOM 338 N ARG A 21 -0.706 -16.692 -2.027 1.00 0.00 N ATOM 339 CA ARG A 21 -0.276 -16.646 -3.424 1.00 0.00 C ATOM 340 C ARG A 21 -1.032 -17.674 -4.272 1.00 0.00 C ATOM 341 O ARG A 21 -1.464 -18.710 -3.763 1.00 0.00 O ATOM 342 CB ARG A 21 1.233 -16.899 -3.522 1.00 0.00 C ATOM 343 CG ARG A 21 2.053 -15.639 -3.754 1.00 0.00 C ATOM 344 CD ARG A 21 2.243 -14.843 -2.469 1.00 0.00 C ATOM 345 NE ARG A 21 3.645 -14.796 -2.046 1.00 0.00 N ATOM 346 CZ ARG A 21 4.608 -14.143 -2.704 1.00 0.00 C ATOM 347 NH1 ARG A 21 4.331 -13.469 -3.817 1.00 0.00 N ATOM 348 NH2 ARG A 21 5.855 -14.161 -2.240 1.00 0.00 N ATOM 0 H ARG A 21 -0.188 -17.354 -1.450 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.501 -15.652 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.572 -17.378 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.422 -17.599 -4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.027 -15.909 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.558 -15.015 -4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.876 -13.827 -2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.641 -15.288 -1.676 1.00 0.00 H new ATOM 0 HE ARG A 21 3.903 -15.294 -1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.376 -13.447 -4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.073 -12.974 -4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.074 -14.672 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.592 -13.664 -2.740 1.00 0.00 H new ATOM 362 N PRO A 22 -1.201 -17.400 -5.583 1.00 0.00 N ATOM 363 CA PRO A 22 -0.699 -16.175 -6.221 1.00 0.00 C ATOM 364 C PRO A 22 -1.557 -14.954 -5.889 1.00 0.00 C ATOM 365 O PRO A 22 -2.783 -14.996 -6.000 1.00 0.00 O ATOM 366 CB PRO A 22 -0.783 -16.498 -7.713 1.00 0.00 C ATOM 367 CG PRO A 22 -1.905 -17.472 -7.825 1.00 0.00 C ATOM 368 CD PRO A 22 -1.901 -18.272 -6.547 1.00 0.00 C ATOM 0 HA PRO A 22 0.304 -15.917 -5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.976 -15.602 -8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.151 -16.925 -8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.856 -16.956 -7.958 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.771 -18.121 -8.690 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.914 -18.501 -6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.384 -19.223 -6.673 1.00 0.00 H new ATOM 376 N VAL A 23 -0.900 -13.868 -5.483 1.00 0.00 N ATOM 377 CA VAL A 23 -1.599 -12.634 -5.134 1.00 0.00 C ATOM 378 C VAL A 23 -1.147 -11.476 -6.025 1.00 0.00 C ATOM 379 O VAL A 23 0.042 -11.161 -6.100 1.00 0.00 O ATOM 380 CB VAL A 23 -1.387 -12.263 -3.648 1.00 0.00 C ATOM 381 CG1 VAL A 23 0.079 -11.975 -3.356 1.00 0.00 C ATOM 382 CG2 VAL A 23 -2.258 -11.078 -3.262 1.00 0.00 C ATOM 0 H VAL A 23 0.114 -13.819 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.662 -12.812 -5.297 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.684 -13.119 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.197 -11.717 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.675 -12.859 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.416 -11.142 -3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.094 -10.833 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.998 -10.219 -3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.307 -11.332 -3.416 1.00 0.00 H new ATOM 392 N LYS A 24 -2.109 -10.850 -6.702 1.00 0.00 N ATOM 393 CA LYS A 24 -1.820 -9.729 -7.591 1.00 0.00 C ATOM 394 C LYS A 24 -1.929 -8.398 -6.850 1.00 0.00 C ATOM 395 O LYS A 24 -2.699 -8.271 -5.896 1.00 0.00 O ATOM 396 CB LYS A 24 -2.777 -9.738 -8.783 1.00 0.00 C ATOM 397 CG LYS A 24 -2.520 -10.873 -9.761 1.00 0.00 C ATOM 398 CD LYS A 24 -3.480 -10.819 -10.938 1.00 0.00 C ATOM 399 CE LYS A 24 -2.876 -11.447 -12.185 1.00 0.00 C ATOM 400 NZ LYS A 24 -2.380 -12.831 -11.934 1.00 0.00 N ATOM 0 H LYS A 24 -3.096 -11.102 -6.651 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.797 -9.841 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.801 -9.811 -8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.695 -8.788 -9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.494 -10.817 -10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.625 -11.829 -9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.403 -11.338 -10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.745 -9.782 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.624 -11.469 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.053 -10.827 -12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.150 -13.287 -12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.527 -12.792 -11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.116 -13.381 -11.447 1.00 0.00 H new ATOM 414 N TYR A 25 -1.160 -7.410 -7.304 1.00 0.00 N ATOM 415 CA TYR A 25 -1.170 -6.078 -6.696 1.00 0.00 C ATOM 416 C TYR A 25 -2.548 -5.428 -6.829 1.00 0.00 C ATOM 417 O TYR A 25 -2.997 -4.721 -5.926 1.00 0.00 O ATOM 418 CB TYR A 25 -0.104 -5.189 -7.346 1.00 0.00 C ATOM 419 CG TYR A 25 0.100 -3.857 -6.652 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.975 -3.737 -5.578 1.00 0.00 C ATOM 421 CD2 TYR A 25 -0.576 -2.718 -7.077 1.00 0.00 C ATOM 422 CE1 TYR A 25 1.168 -2.521 -4.948 1.00 0.00 C ATOM 423 CE2 TYR A 25 -0.385 -1.499 -6.453 1.00 0.00 C ATOM 424 CZ TYR A 25 0.488 -1.406 -5.389 1.00 0.00 C ATOM 425 OH TYR A 25 0.680 -0.195 -4.762 1.00 0.00 O ATOM 0 H TYR A 25 -0.520 -7.506 -8.093 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.943 -6.187 -5.636 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.843 -5.728 -7.360 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.382 -5.007 -8.384 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.512 -4.607 -5.230 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.262 -2.787 -7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.849 -2.445 -4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.917 -0.624 -6.797 1.00 0.00 H new ATOM 0 HH TYR A 25 0.325 0.525 -5.325 1.00 0.00 H new ATOM 435 N GLU A 26 -3.217 -5.679 -7.958 1.00 0.00 N ATOM 436 CA GLU A 26 -4.545 -5.122 -8.205 1.00 0.00 C ATOM 437 C GLU A 26 -5.556 -5.646 -7.187 1.00 0.00 C ATOM 438 O GLU A 26 -6.357 -4.881 -6.653 1.00 0.00 O ATOM 439 CB GLU A 26 -5.018 -5.463 -9.621 1.00 0.00 C ATOM 440 CG GLU A 26 -4.486 -4.517 -10.687 1.00 0.00 C ATOM 441 CD GLU A 26 -4.050 -5.236 -11.950 1.00 0.00 C ATOM 442 OE1 GLU A 26 -4.832 -6.063 -12.468 1.00 0.00 O ATOM 443 OE2 GLU A 26 -2.925 -4.972 -12.423 1.00 0.00 O ATOM 0 H GLU A 26 -2.859 -6.264 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.474 -4.039 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.709 -6.480 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.108 -5.447 -9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.258 -3.789 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.641 -3.960 -10.282 1.00 0.00 H new ATOM 450 N ASP A 27 -5.516 -6.952 -6.926 1.00 0.00 N ATOM 451 CA ASP A 27 -6.436 -7.571 -5.974 1.00 0.00 C ATOM 452 C ASP A 27 -6.222 -7.032 -4.562 1.00 0.00 C ATOM 453 O ASP A 27 -7.184 -6.720 -3.858 1.00 0.00 O ATOM 454 CB ASP A 27 -6.275 -9.095 -5.982 1.00 0.00 C ATOM 455 CG ASP A 27 -7.573 -9.810 -6.303 1.00 0.00 C ATOM 456 OD1 ASP A 27 -8.154 -9.535 -7.374 1.00 0.00 O ATOM 457 OD2 ASP A 27 -8.009 -10.645 -5.484 1.00 0.00 O ATOM 0 H ASP A 27 -4.858 -7.600 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.450 -7.319 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.518 -9.374 -6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.912 -9.425 -5.008 1.00 0.00 H new ATOM 462 N VAL A 28 -4.959 -6.920 -4.153 1.00 0.00 N ATOM 463 CA VAL A 28 -4.628 -6.415 -2.823 1.00 0.00 C ATOM 464 C VAL A 28 -4.987 -4.935 -2.703 1.00 0.00 C ATOM 465 O VAL A 28 -5.619 -4.516 -1.731 1.00 0.00 O ATOM 466 CB VAL A 28 -3.127 -6.600 -2.498 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.827 -6.184 -1.063 1.00 0.00 C ATOM 468 CG2 VAL A 28 -2.698 -8.042 -2.740 1.00 0.00 C ATOM 0 H VAL A 28 -4.151 -7.172 -4.722 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.213 -6.994 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.554 -5.955 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.765 -6.323 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.088 -5.135 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.412 -6.796 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.639 -8.151 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.281 -8.707 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.867 -8.301 -3.785 1.00 0.00 H new ATOM 478 N GLU A 29 -4.583 -4.153 -3.703 1.00 0.00 N ATOM 479 CA GLU A 29 -4.859 -2.718 -3.725 1.00 0.00 C ATOM 480 C GLU A 29 -6.360 -2.441 -3.789 1.00 0.00 C ATOM 481 O GLU A 29 -6.864 -1.577 -3.073 1.00 0.00 O ATOM 482 CB GLU A 29 -4.159 -2.066 -4.921 1.00 0.00 C ATOM 483 CG GLU A 29 -4.242 -0.547 -4.930 1.00 0.00 C ATOM 484 CD GLU A 29 -3.955 0.045 -6.296 1.00 0.00 C ATOM 485 OE1 GLU A 29 -4.665 -0.311 -7.261 1.00 0.00 O ATOM 486 OE2 GLU A 29 -3.020 0.867 -6.400 1.00 0.00 O ATOM 0 H GLU A 29 -4.061 -4.491 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.474 -2.289 -2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.110 -2.363 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.600 -2.450 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.236 -0.239 -4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.533 -0.144 -4.207 1.00 0.00 H new ATOM 493 N HIS A 30 -7.067 -3.178 -4.652 1.00 0.00 N ATOM 494 CA HIS A 30 -8.512 -3.006 -4.813 1.00 0.00 C ATOM 495 C HIS A 30 -9.248 -3.178 -3.483 1.00 0.00 C ATOM 496 O HIS A 30 -10.196 -2.447 -3.194 1.00 0.00 O ATOM 497 CB HIS A 30 -9.062 -3.995 -5.848 1.00 0.00 C ATOM 498 CG HIS A 30 -10.437 -3.648 -6.335 1.00 0.00 C ATOM 499 ND1 HIS A 30 -11.507 -4.514 -6.252 1.00 0.00 N ATOM 500 CD2 HIS A 30 -10.911 -2.519 -6.912 1.00 0.00 C ATOM 501 CE1 HIS A 30 -12.580 -3.930 -6.759 1.00 0.00 C ATOM 502 NE2 HIS A 30 -12.244 -2.720 -7.166 1.00 0.00 N ATOM 0 H HIS A 30 -6.661 -3.899 -5.249 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.683 -1.989 -5.167 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.382 -4.033 -6.699 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.081 -4.993 -5.411 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.345 -1.626 -7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.564 -4.369 -6.828 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.873 -2.044 -7.599 1.00 0.00 H new ATOM 511 N LYS A 31 -8.803 -4.138 -2.670 1.00 0.00 N ATOM 512 CA LYS A 31 -9.423 -4.381 -1.371 1.00 0.00 C ATOM 513 C LYS A 31 -9.244 -3.170 -0.456 1.00 0.00 C ATOM 514 O LYS A 31 -10.198 -2.712 0.172 1.00 0.00 O ATOM 515 CB LYS A 31 -8.825 -5.627 -0.710 1.00 0.00 C ATOM 516 CG LYS A 31 -9.727 -6.248 0.347 1.00 0.00 C ATOM 517 CD LYS A 31 -8.921 -6.815 1.508 1.00 0.00 C ATOM 518 CE LYS A 31 -9.653 -6.652 2.832 1.00 0.00 C ATOM 519 NZ LYS A 31 -8.932 -7.317 3.956 1.00 0.00 N ATOM 0 H LYS A 31 -8.021 -4.755 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.488 -4.547 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.615 -6.371 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.871 -5.363 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.423 -5.496 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.324 -7.041 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.720 -7.872 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.956 -6.312 1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.769 -5.591 3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.655 -7.071 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.465 -7.181 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.843 -8.334 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.985 -6.900 4.056 1.00 0.00 H new ATOM 533 N VAL A 32 -8.014 -2.658 -0.390 1.00 0.00 N ATOM 534 CA VAL A 32 -7.705 -1.502 0.450 1.00 0.00 C ATOM 535 C VAL A 32 -8.461 -0.254 -0.006 1.00 0.00 C ATOM 536 O VAL A 32 -8.945 0.517 0.826 1.00 0.00 O ATOM 537 CB VAL A 32 -6.190 -1.198 0.477 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.872 -0.131 1.518 1.00 0.00 C ATOM 539 CG2 VAL A 32 -5.391 -2.468 0.748 1.00 0.00 C ATOM 0 H VAL A 32 -7.216 -3.026 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.028 -1.764 1.457 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.902 -0.815 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.800 0.067 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.410 0.785 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.178 -0.482 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.327 -2.232 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.684 -2.884 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.590 -3.198 -0.037 1.00 0.00 H new ATOM 549 N THR A 33 -8.561 -0.057 -1.322 1.00 0.00 N ATOM 550 CA THR A 33 -9.257 1.098 -1.869 1.00 0.00 C ATOM 551 C THR A 33 -10.717 1.126 -1.417 1.00 0.00 C ATOM 552 O THR A 33 -11.241 2.184 -1.083 1.00 0.00 O ATOM 553 CB THR A 33 -9.177 1.108 -3.398 1.00 0.00 C ATOM 554 OG1 THR A 33 -8.835 -0.169 -3.909 1.00 0.00 O ATOM 555 CG2 THR A 33 -8.176 2.108 -3.935 1.00 0.00 C ATOM 0 H THR A 33 -8.168 -0.684 -2.024 1.00 0.00 H new ATOM 0 HA THR A 33 -8.763 1.992 -1.489 1.00 0.00 H new ATOM 0 HB THR A 33 -10.174 1.397 -3.730 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.885 -0.344 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.168 2.065 -5.024 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.456 3.111 -3.613 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.183 1.869 -3.555 1.00 0.00 H new ATOM 563 N THR A 34 -11.365 -0.040 -1.395 1.00 0.00 N ATOM 564 CA THR A 34 -12.761 -0.129 -0.964 1.00 0.00 C ATOM 565 C THR A 34 -12.883 0.059 0.551 1.00 0.00 C ATOM 566 O THR A 34 -13.876 0.604 1.034 1.00 0.00 O ATOM 567 CB THR A 34 -13.372 -1.471 -1.382 1.00 0.00 C ATOM 568 OG1 THR A 34 -13.115 -1.736 -2.750 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.873 -1.532 -1.180 1.00 0.00 C ATOM 0 H THR A 34 -10.949 -0.930 -1.669 1.00 0.00 H new ATOM 0 HA THR A 34 -13.312 0.674 -1.454 1.00 0.00 H new ATOM 0 HB THR A 34 -12.901 -2.215 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.172 -1.976 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.243 -2.508 -1.495 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.105 -1.379 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.352 -0.753 -1.774 1.00 0.00 H new ATOM 577 N VAL A 35 -11.874 -0.400 1.298 1.00 0.00 N ATOM 578 CA VAL A 35 -11.884 -0.280 2.757 1.00 0.00 C ATOM 579 C VAL A 35 -11.761 1.177 3.205 1.00 0.00 C ATOM 580 O VAL A 35 -12.572 1.657 3.997 1.00 0.00 O ATOM 581 CB VAL A 35 -10.746 -1.097 3.415 1.00 0.00 C ATOM 582 CG1 VAL A 35 -10.842 -1.026 4.933 1.00 0.00 C ATOM 583 CG2 VAL A 35 -10.771 -2.546 2.944 1.00 0.00 C ATOM 0 H VAL A 35 -11.044 -0.856 0.918 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.844 -0.680 3.082 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.796 -0.658 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.033 -1.607 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.762 0.012 5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.800 -1.433 5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.961 -3.098 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.726 -2.999 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.644 -2.579 1.862 1.00 0.00 H new ATOM 593 N PHE A 36 -10.735 1.870 2.709 1.00 0.00 N ATOM 594 CA PHE A 36 -10.507 3.268 3.083 1.00 0.00 C ATOM 595 C PHE A 36 -11.017 4.253 2.022 1.00 0.00 C ATOM 596 O PHE A 36 -10.750 5.453 2.117 1.00 0.00 O ATOM 597 CB PHE A 36 -9.016 3.510 3.336 1.00 0.00 C ATOM 598 CG PHE A 36 -8.414 2.597 4.368 1.00 0.00 C ATOM 599 CD1 PHE A 36 -8.966 2.500 5.638 1.00 0.00 C ATOM 600 CD2 PHE A 36 -7.295 1.835 4.069 1.00 0.00 C ATOM 601 CE1 PHE A 36 -8.411 1.663 6.586 1.00 0.00 C ATOM 602 CE2 PHE A 36 -6.737 0.997 5.015 1.00 0.00 C ATOM 603 CZ PHE A 36 -7.296 0.910 6.275 1.00 0.00 C ATOM 0 H PHE A 36 -10.053 1.491 2.052 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.074 3.449 3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.474 3.388 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.875 4.543 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.839 3.085 5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.854 1.897 3.085 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.849 1.597 7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.864 0.410 4.769 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.862 0.254 7.015 1.00 0.00 H new ATOM 613 N GLY A 37 -11.748 3.754 1.022 1.00 0.00 N ATOM 614 CA GLY A 37 -12.271 4.627 -0.017 1.00 0.00 C ATOM 615 C GLY A 37 -11.192 5.137 -0.959 1.00 0.00 C ATOM 616 O GLY A 37 -10.007 4.860 -0.771 1.00 0.00 O ATOM 0 H GLY A 37 -11.985 2.768 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.024 4.088 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.772 5.476 0.447 1.00 0.00 H new ATOM 620 N GLN A 38 -11.611 5.883 -1.978 1.00 0.00 N ATOM 621 CA GLN A 38 -10.683 6.438 -2.962 1.00 0.00 C ATOM 622 C GLN A 38 -10.833 7.957 -3.059 1.00 0.00 C ATOM 623 O GLN A 38 -11.869 8.508 -2.682 1.00 0.00 O ATOM 624 CB GLN A 38 -10.927 5.797 -4.332 1.00 0.00 C ATOM 625 CG GLN A 38 -10.190 4.482 -4.526 1.00 0.00 C ATOM 626 CD GLN A 38 -11.067 3.398 -5.127 1.00 0.00 C ATOM 627 OE1 GLN A 38 -10.830 2.943 -6.246 1.00 0.00 O ATOM 628 NE2 GLN A 38 -12.085 2.976 -4.385 1.00 0.00 N ATOM 0 H GLN A 38 -12.589 6.118 -2.145 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.666 6.216 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.996 5.627 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.620 6.495 -5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.328 4.646 -5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.806 4.141 -3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.246 3.380 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.706 2.248 -4.738 1.00 0.00 H new ATOM 637 N PRO A 39 -9.797 8.659 -3.560 1.00 0.00 N ATOM 638 CA PRO A 39 -8.546 8.052 -4.023 1.00 0.00 C ATOM 639 C PRO A 39 -7.489 7.930 -2.918 1.00 0.00 C ATOM 640 O PRO A 39 -7.486 8.708 -1.962 1.00 0.00 O ATOM 641 CB PRO A 39 -8.093 9.040 -5.092 1.00 0.00 C ATOM 642 CG PRO A 39 -8.565 10.373 -4.605 1.00 0.00 C ATOM 643 CD PRO A 39 -9.772 10.124 -3.729 1.00 0.00 C ATOM 0 HA PRO A 39 -8.684 7.029 -4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.010 9.024 -5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.525 8.798 -6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.779 10.878 -4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.824 11.020 -5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.681 10.634 -2.770 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.687 10.487 -4.198 1.00 0.00 H new ATOM 651 N LEU A 40 -6.592 6.953 -3.066 1.00 0.00 N ATOM 652 CA LEU A 40 -5.522 6.728 -2.092 1.00 0.00 C ATOM 653 C LEU A 40 -4.202 6.412 -2.794 1.00 0.00 C ATOM 654 O LEU A 40 -4.192 5.808 -3.868 1.00 0.00 O ATOM 655 CB LEU A 40 -5.884 5.573 -1.153 1.00 0.00 C ATOM 656 CG LEU A 40 -6.993 5.871 -0.143 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.454 4.590 0.532 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.518 6.880 0.893 1.00 0.00 C ATOM 0 H LEU A 40 -6.586 6.304 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.405 7.643 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.186 4.717 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.988 5.277 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.839 6.303 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.243 4.820 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.836 3.899 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.614 4.131 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.321 7.079 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.656 6.477 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.236 7.808 0.395 1.00 0.00 H new ATOM 670 N ASP A 41 -3.089 6.814 -2.175 1.00 0.00 N ATOM 671 CA ASP A 41 -1.763 6.561 -2.737 1.00 0.00 C ATOM 672 C ASP A 41 -0.964 5.620 -1.833 1.00 0.00 C ATOM 673 O ASP A 41 -0.773 5.899 -0.647 1.00 0.00 O ATOM 674 CB ASP A 41 -0.996 7.877 -2.930 1.00 0.00 C ATOM 675 CG ASP A 41 -1.297 8.551 -4.260 1.00 0.00 C ATOM 676 OD1 ASP A 41 -1.600 7.840 -5.242 1.00 0.00 O ATOM 677 OD2 ASP A 41 -1.226 9.796 -4.317 1.00 0.00 O ATOM 0 H ASP A 41 -3.081 7.315 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.895 6.086 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.247 8.560 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.074 7.681 -2.862 1.00 0.00 H new ATOM 682 N LEU A 42 -0.505 4.503 -2.401 1.00 0.00 N ATOM 683 CA LEU A 42 0.270 3.515 -1.649 1.00 0.00 C ATOM 684 C LEU A 42 1.765 3.841 -1.685 1.00 0.00 C ATOM 685 O LEU A 42 2.444 3.578 -2.681 1.00 0.00 O ATOM 686 CB LEU A 42 0.032 2.108 -2.208 1.00 0.00 C ATOM 687 CG LEU A 42 -1.354 1.518 -1.923 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.559 0.235 -2.716 1.00 0.00 C ATOM 689 CD2 LEU A 42 -1.529 1.262 -0.433 1.00 0.00 C ATOM 0 H LEU A 42 -0.657 4.260 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.065 3.550 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.184 2.133 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.786 1.438 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.108 2.240 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.548 -0.171 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.477 0.449 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.799 -0.493 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.519 0.843 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.769 0.559 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.425 2.200 0.112 1.00 0.00 H new ATOM 701 N HIS A 43 2.271 4.411 -0.591 1.00 0.00 N ATOM 702 CA HIS A 43 3.685 4.773 -0.493 1.00 0.00 C ATOM 703 C HIS A 43 4.481 3.685 0.228 1.00 0.00 C ATOM 704 O HIS A 43 4.187 3.344 1.374 1.00 0.00 O ATOM 705 CB HIS A 43 3.842 6.109 0.244 1.00 0.00 C ATOM 706 CG HIS A 43 4.729 7.088 -0.460 1.00 0.00 C ATOM 707 ND1 HIS A 43 4.540 7.468 -1.773 1.00 0.00 N ATOM 708 CD2 HIS A 43 5.815 7.772 -0.028 1.00 0.00 C ATOM 709 CE1 HIS A 43 5.471 8.339 -2.116 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.258 8.542 -1.076 1.00 0.00 N ATOM 0 H HIS A 43 1.722 4.632 0.240 1.00 0.00 H new ATOM 0 HA HIS A 43 4.078 4.874 -1.505 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.857 6.557 0.378 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.244 5.919 1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.252 7.722 0.958 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.572 8.807 -3.084 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.063 9.168 -1.054 1.00 0.00 H new ATOM 719 N TYR A 44 5.495 3.148 -0.446 1.00 0.00 N ATOM 720 CA TYR A 44 6.337 2.107 0.130 1.00 0.00 C ATOM 721 C TYR A 44 7.689 2.685 0.552 1.00 0.00 C ATOM 722 O TYR A 44 8.441 3.198 -0.277 1.00 0.00 O ATOM 723 CB TYR A 44 6.535 0.970 -0.883 1.00 0.00 C ATOM 724 CG TYR A 44 7.594 -0.035 -0.482 1.00 0.00 C ATOM 725 CD1 TYR A 44 8.939 0.225 -0.706 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.249 -1.238 0.119 1.00 0.00 C ATOM 727 CE1 TYR A 44 9.912 -0.685 -0.341 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.216 -2.153 0.487 1.00 0.00 C ATOM 729 CZ TYR A 44 9.547 -1.871 0.255 1.00 0.00 C ATOM 730 OH TYR A 44 10.512 -2.781 0.620 1.00 0.00 O ATOM 0 H TYR A 44 5.753 3.419 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 44 5.843 1.707 1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.587 0.449 -1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.803 1.400 -1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.230 1.154 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.208 -1.462 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.954 -0.467 -0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.932 -3.085 0.954 1.00 0.00 H new ATOM 0 HH TYR A 44 10.627 -3.440 -0.096 1.00 0.00 H new ATOM 740 N MET A 45 7.992 2.597 1.844 1.00 0.00 N ATOM 741 CA MET A 45 9.254 3.109 2.371 1.00 0.00 C ATOM 742 C MET A 45 10.303 2.001 2.436 1.00 0.00 C ATOM 743 O MET A 45 10.035 0.912 2.949 1.00 0.00 O ATOM 744 CB MET A 45 9.047 3.715 3.762 1.00 0.00 C ATOM 745 CG MET A 45 8.215 4.989 3.757 1.00 0.00 C ATOM 746 SD MET A 45 9.219 6.472 3.548 1.00 0.00 S ATOM 747 CE MET A 45 9.515 6.929 5.255 1.00 0.00 C ATOM 0 H MET A 45 7.382 2.177 2.545 1.00 0.00 H new ATOM 0 HA MET A 45 9.611 3.887 1.696 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.562 2.977 4.401 1.00 0.00 H new ATOM 0 HB3 MET A 45 10.020 3.929 4.204 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.481 4.936 2.953 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.660 5.060 4.692 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.125 7.832 5.289 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.563 7.115 5.752 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.037 6.119 5.763 1.00 0.00 H new ATOM 757 N ASN A 46 11.494 2.283 1.915 1.00 0.00 N ATOM 758 CA ASN A 46 12.586 1.309 1.917 1.00 0.00 C ATOM 759 C ASN A 46 13.306 1.322 3.262 1.00 0.00 C ATOM 760 O ASN A 46 13.504 0.277 3.883 1.00 0.00 O ATOM 761 CB ASN A 46 13.579 1.609 0.786 1.00 0.00 C ATOM 762 CG ASN A 46 12.928 1.604 -0.589 1.00 0.00 C ATOM 763 OD1 ASN A 46 11.717 1.790 -0.721 1.00 0.00 O ATOM 764 ND2 ASN A 46 13.729 1.391 -1.627 1.00 0.00 N ATOM 0 H ASN A 46 11.729 3.178 1.486 1.00 0.00 H new ATOM 0 HA ASN A 46 12.161 0.318 1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.039 2.582 0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.380 0.870 0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.346 1.378 -2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.727 1.241 -1.479 1.00 0.00 H new ATOM 771 N ASN A 47 13.682 2.521 3.704 1.00 0.00 N ATOM 772 CA ASN A 47 14.374 2.705 4.977 1.00 0.00 C ATOM 773 C ASN A 47 14.502 4.191 5.291 1.00 0.00 C ATOM 774 O ASN A 47 13.942 4.683 6.271 1.00 0.00 O ATOM 775 CB ASN A 47 15.764 2.058 4.938 1.00 0.00 C ATOM 776 CG ASN A 47 15.804 0.725 5.662 1.00 0.00 C ATOM 777 OD1 ASN A 47 15.309 0.600 6.783 1.00 0.00 O ATOM 778 ND2 ASN A 47 16.394 -0.281 5.025 1.00 0.00 N ATOM 0 H ASN A 47 13.516 3.388 3.192 1.00 0.00 H new ATOM 0 HA ASN A 47 13.789 2.221 5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.065 1.914 3.900 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.489 2.735 5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.450 -1.200 5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.791 -0.134 4.097 1.00 0.00 H new ATOM 785 N GLU A 48 15.238 4.898 4.438 1.00 0.00 N ATOM 786 CA GLU A 48 15.448 6.332 4.598 1.00 0.00 C ATOM 787 C GLU A 48 14.656 7.135 3.559 1.00 0.00 C ATOM 788 O GLU A 48 14.275 8.278 3.815 1.00 0.00 O ATOM 789 CB GLU A 48 16.939 6.654 4.484 1.00 0.00 C ATOM 790 CG GLU A 48 17.264 8.126 4.685 1.00 0.00 C ATOM 791 CD GLU A 48 18.670 8.349 5.205 1.00 0.00 C ATOM 792 OE1 GLU A 48 19.621 8.252 4.402 1.00 0.00 O ATOM 793 OE2 GLU A 48 18.818 8.615 6.415 1.00 0.00 O ATOM 0 H GLU A 48 15.702 4.496 3.623 1.00 0.00 H new ATOM 0 HA GLU A 48 15.088 6.618 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.486 6.066 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.295 6.343 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.143 8.653 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.549 8.559 5.385 1.00 0.00 H new ATOM 800 N LEU A 49 14.418 6.539 2.384 1.00 0.00 N ATOM 801 CA LEU A 49 13.683 7.214 1.317 1.00 0.00 C ATOM 802 C LEU A 49 12.295 6.605 1.120 1.00 0.00 C ATOM 803 O LEU A 49 12.022 5.490 1.572 1.00 0.00 O ATOM 804 CB LEU A 49 14.466 7.142 0.004 1.00 0.00 C ATOM 805 CG LEU A 49 15.821 7.854 0.012 1.00 0.00 C ATOM 806 CD1 LEU A 49 16.899 6.952 -0.574 1.00 0.00 C ATOM 807 CD2 LEU A 49 15.741 9.165 -0.759 1.00 0.00 C ATOM 0 H LEU A 49 14.724 5.594 2.152 1.00 0.00 H new ATOM 0 HA LEU A 49 13.561 8.256 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.626 6.094 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.853 7.570 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 49 16.086 8.081 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 49 17.856 7.473 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.974 6.041 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.640 6.695 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.714 9.657 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.454 8.963 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.998 9.815 -0.296 1.00 0.00 H new ATOM 819 N SER A 50 11.427 7.352 0.436 1.00 0.00 N ATOM 820 CA SER A 50 10.061 6.903 0.166 1.00 0.00 C ATOM 821 C SER A 50 9.866 6.588 -1.317 1.00 0.00 C ATOM 822 O SER A 50 10.124 7.431 -2.178 1.00 0.00 O ATOM 823 CB SER A 50 9.051 7.970 0.604 1.00 0.00 C ATOM 824 OG SER A 50 9.612 8.858 1.559 1.00 0.00 O ATOM 0 H SER A 50 11.647 8.273 0.058 1.00 0.00 H new ATOM 0 HA SER A 50 9.892 5.991 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.716 8.534 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.171 7.487 1.028 1.00 0.00 H new ATOM 0 HG SER A 50 9.660 8.413 2.431 1.00 0.00 H new ATOM 830 N ILE A 51 9.403 5.371 -1.605 1.00 0.00 N ATOM 831 CA ILE A 51 9.165 4.938 -2.983 1.00 0.00 C ATOM 832 C ILE A 51 7.680 4.645 -3.216 1.00 0.00 C ATOM 833 O ILE A 51 7.044 3.955 -2.422 1.00 0.00 O ATOM 834 CB ILE A 51 9.984 3.672 -3.325 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.452 3.838 -2.907 1.00 0.00 C ATOM 836 CG2 ILE A 51 9.889 3.353 -4.813 1.00 0.00 C ATOM 837 CD1 ILE A 51 12.140 5.036 -3.530 1.00 0.00 C ATOM 0 H ILE A 51 9.185 4.666 -0.901 1.00 0.00 H new ATOM 0 HA ILE A 51 9.482 5.754 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 51 9.561 2.838 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.502 3.927 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.000 2.936 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.473 2.459 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.847 3.181 -5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.280 4.191 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.173 5.083 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.124 4.941 -4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.618 5.948 -3.238 1.00 0.00 H new ATOM 849 N LEU A 52 7.135 5.167 -4.314 1.00 0.00 N ATOM 850 CA LEU A 52 5.726 4.951 -4.649 1.00 0.00 C ATOM 851 C LEU A 52 5.569 3.766 -5.603 1.00 0.00 C ATOM 852 O LEU A 52 6.206 3.723 -6.658 1.00 0.00 O ATOM 853 CB LEU A 52 5.125 6.214 -5.278 1.00 0.00 C ATOM 854 CG LEU A 52 3.650 6.105 -5.689 1.00 0.00 C ATOM 855 CD1 LEU A 52 2.749 6.055 -4.464 1.00 0.00 C ATOM 856 CD2 LEU A 52 3.257 7.268 -6.590 1.00 0.00 C ATOM 0 H LEU A 52 7.645 5.741 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 52 5.190 4.726 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.228 7.036 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.712 6.476 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 52 3.522 5.177 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.709 5.978 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.009 5.188 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.883 6.963 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.208 7.173 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.406 8.207 -6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.875 7.258 -7.488 1.00 0.00 H new ATOM 868 N LEU A 53 4.716 2.811 -5.229 1.00 0.00 N ATOM 869 CA LEU A 53 4.473 1.627 -6.057 1.00 0.00 C ATOM 870 C LEU A 53 3.502 1.950 -7.190 1.00 0.00 C ATOM 871 O LEU A 53 2.447 2.545 -6.966 1.00 0.00 O ATOM 872 CB LEU A 53 3.916 0.472 -5.212 1.00 0.00 C ATOM 873 CG LEU A 53 4.594 0.253 -3.855 1.00 0.00 C ATOM 874 CD1 LEU A 53 3.974 -0.936 -3.136 1.00 0.00 C ATOM 875 CD2 LEU A 53 6.093 0.050 -4.029 1.00 0.00 C ATOM 0 H LEU A 53 4.182 2.833 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 53 5.427 1.320 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.854 0.650 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.997 -0.448 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 53 4.439 1.144 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.467 -1.077 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.912 -0.751 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.098 -1.833 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.555 -0.104 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.271 -0.823 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.527 0.931 -4.501 1.00 0.00 H new ATOM 887 N LYS A 54 3.865 1.550 -8.407 1.00 0.00 N ATOM 888 CA LYS A 54 3.030 1.793 -9.580 1.00 0.00 C ATOM 889 C LYS A 54 2.382 0.501 -10.081 1.00 0.00 C ATOM 890 O LYS A 54 1.227 0.502 -10.513 1.00 0.00 O ATOM 891 CB LYS A 54 3.860 2.429 -10.697 1.00 0.00 C ATOM 892 CG LYS A 54 4.264 3.867 -10.414 1.00 0.00 C ATOM 893 CD LYS A 54 3.258 4.855 -10.988 1.00 0.00 C ATOM 894 CE LYS A 54 3.189 6.130 -10.161 1.00 0.00 C ATOM 895 NZ LYS A 54 1.976 6.937 -10.476 1.00 0.00 N ATOM 0 H LYS A 54 4.734 1.055 -8.606 1.00 0.00 H new ATOM 0 HA LYS A 54 2.235 2.478 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.759 1.833 -10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.289 2.397 -11.625 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.348 4.017 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.248 4.060 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.533 5.101 -12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.272 4.391 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.189 5.875 -9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.081 6.730 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.969 7.796 -9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.988 7.203 -11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.124 6.375 -10.277 1.00 0.00 H new ATOM 909 N ASN A 55 3.136 -0.599 -10.028 1.00 0.00 N ATOM 910 CA ASN A 55 2.644 -1.902 -10.481 1.00 0.00 C ATOM 911 C ASN A 55 3.351 -3.044 -9.743 1.00 0.00 C ATOM 912 O ASN A 55 4.107 -2.806 -8.800 1.00 0.00 O ATOM 913 CB ASN A 55 2.853 -2.041 -11.996 1.00 0.00 C ATOM 914 CG ASN A 55 4.300 -1.832 -12.413 1.00 0.00 C ATOM 915 OD1 ASN A 55 5.188 -1.683 -11.573 1.00 0.00 O ATOM 916 ND2 ASN A 55 4.548 -1.822 -13.717 1.00 0.00 N ATOM 0 H ASN A 55 4.093 -0.613 -9.675 1.00 0.00 H new ATOM 0 HA ASN A 55 1.579 -1.964 -10.258 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.528 -3.032 -12.314 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.223 -1.318 -12.513 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.501 -1.688 -14.054 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.785 -1.949 -14.382 1.00 0.00 H new ATOM 923 N GLN A 56 3.104 -4.286 -10.180 1.00 0.00 N ATOM 924 CA GLN A 56 3.726 -5.459 -9.560 1.00 0.00 C ATOM 925 C GLN A 56 5.246 -5.338 -9.566 1.00 0.00 C ATOM 926 O GLN A 56 5.912 -5.763 -8.621 1.00 0.00 O ATOM 927 CB GLN A 56 3.318 -6.741 -10.292 1.00 0.00 C ATOM 928 CG GLN A 56 3.266 -7.959 -9.385 1.00 0.00 C ATOM 929 CD GLN A 56 1.909 -8.147 -8.735 1.00 0.00 C ATOM 930 OE1 GLN A 56 0.881 -7.756 -9.290 1.00 0.00 O ATOM 931 NE2 GLN A 56 1.898 -8.749 -7.553 1.00 0.00 N ATOM 0 H GLN A 56 2.480 -4.502 -10.957 1.00 0.00 H new ATOM 0 HA GLN A 56 3.377 -5.508 -8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.339 -6.595 -10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.023 -6.929 -11.102 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.513 -8.849 -9.964 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.026 -7.862 -8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.773 -9.057 -7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.014 -8.904 -7.068 1.00 0.00 H new ATOM 940 N ASP A 57 5.785 -4.757 -10.639 1.00 0.00 N ATOM 941 CA ASP A 57 7.227 -4.574 -10.777 1.00 0.00 C ATOM 942 C ASP A 57 7.802 -3.847 -9.562 1.00 0.00 C ATOM 943 O ASP A 57 8.832 -4.249 -9.018 1.00 0.00 O ATOM 944 CB ASP A 57 7.543 -3.790 -12.055 1.00 0.00 C ATOM 945 CG ASP A 57 7.862 -4.698 -13.225 1.00 0.00 C ATOM 946 OD1 ASP A 57 6.947 -5.410 -13.691 1.00 0.00 O ATOM 947 OD2 ASP A 57 9.024 -4.692 -13.681 1.00 0.00 O ATOM 0 H ASP A 57 5.241 -4.405 -11.426 1.00 0.00 H new ATOM 0 HA ASP A 57 7.690 -5.559 -10.840 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.692 -3.158 -12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.389 -3.127 -11.872 1.00 0.00 H new ATOM 952 N ASP A 58 7.119 -2.784 -9.135 1.00 0.00 N ATOM 953 CA ASP A 58 7.547 -2.003 -7.978 1.00 0.00 C ATOM 954 C ASP A 58 7.464 -2.836 -6.697 1.00 0.00 C ATOM 955 O ASP A 58 8.300 -2.697 -5.804 1.00 0.00 O ATOM 956 CB ASP A 58 6.686 -0.747 -7.840 1.00 0.00 C ATOM 957 CG ASP A 58 7.197 0.401 -8.689 1.00 0.00 C ATOM 958 OD1 ASP A 58 6.979 0.373 -9.918 1.00 0.00 O ATOM 959 OD2 ASP A 58 7.807 1.332 -8.123 1.00 0.00 O ATOM 0 H ASP A 58 6.264 -2.445 -9.576 1.00 0.00 H new ATOM 0 HA ASP A 58 8.585 -1.709 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.661 -0.979 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.662 -0.439 -6.795 1.00 0.00 H new ATOM 964 N LEU A 59 6.456 -3.704 -6.620 1.00 0.00 N ATOM 965 CA LEU A 59 6.274 -4.562 -5.453 1.00 0.00 C ATOM 966 C LEU A 59 7.325 -5.674 -5.416 1.00 0.00 C ATOM 967 O LEU A 59 7.824 -6.029 -4.349 1.00 0.00 O ATOM 968 CB LEU A 59 4.869 -5.170 -5.448 1.00 0.00 C ATOM 969 CG LEU A 59 4.450 -5.822 -4.128 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.779 -4.806 -3.216 1.00 0.00 C ATOM 971 CD2 LEU A 59 3.530 -7.008 -4.386 1.00 0.00 C ATOM 0 H LEU A 59 5.755 -3.831 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 59 6.397 -3.944 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.150 -4.388 -5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.810 -5.917 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 59 5.346 -6.188 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.489 -5.290 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.474 -3.994 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.893 -4.405 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.243 -7.459 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.637 -6.669 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.051 -7.747 -4.995 1.00 0.00 H new ATOM 983 N ASP A 60 7.657 -6.218 -6.589 1.00 0.00 N ATOM 984 CA ASP A 60 8.649 -7.291 -6.691 1.00 0.00 C ATOM 985 C ASP A 60 10.023 -6.823 -6.212 1.00 0.00 C ATOM 986 O ASP A 60 10.709 -7.540 -5.482 1.00 0.00 O ATOM 987 CB ASP A 60 8.745 -7.795 -8.134 1.00 0.00 C ATOM 988 CG ASP A 60 7.710 -8.857 -8.448 1.00 0.00 C ATOM 989 OD1 ASP A 60 7.894 -10.015 -8.017 1.00 0.00 O ATOM 990 OD2 ASP A 60 6.714 -8.531 -9.127 1.00 0.00 O ATOM 0 H ASP A 60 7.254 -5.933 -7.481 1.00 0.00 H new ATOM 0 HA ASP A 60 8.322 -8.108 -6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.619 -6.956 -8.818 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.742 -8.201 -8.308 1.00 0.00 H new ATOM 995 N LYS A 61 10.415 -5.614 -6.616 1.00 0.00 N ATOM 996 CA LYS A 61 11.705 -5.054 -6.213 1.00 0.00 C ATOM 997 C LYS A 61 11.710 -4.720 -4.719 1.00 0.00 C ATOM 998 O LYS A 61 12.752 -4.790 -4.066 1.00 0.00 O ATOM 999 CB LYS A 61 12.034 -3.802 -7.035 1.00 0.00 C ATOM 1000 CG LYS A 61 11.008 -2.685 -6.902 1.00 0.00 C ATOM 1001 CD LYS A 61 11.635 -1.321 -7.135 1.00 0.00 C ATOM 1002 CE LYS A 61 12.057 -1.142 -8.585 1.00 0.00 C ATOM 1003 NZ LYS A 61 13.241 -0.246 -8.717 1.00 0.00 N ATOM 0 H LYS A 61 9.861 -5.006 -7.219 1.00 0.00 H new ATOM 0 HA LYS A 61 12.471 -5.806 -6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.009 -3.424 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.117 -4.081 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.202 -2.843 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.562 -2.716 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.924 -0.541 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.502 -1.202 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.289 -2.115 -9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.225 -0.730 -9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.495 -0.152 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.012 0.691 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.043 -0.651 -8.194 1.00 0.00 H new ATOM 1017 N ALA A 62 10.537 -4.363 -4.186 1.00 0.00 N ATOM 1018 CA ALA A 62 10.402 -4.024 -2.771 1.00 0.00 C ATOM 1019 C ALA A 62 10.728 -5.223 -1.879 1.00 0.00 C ATOM 1020 O ALA A 62 11.363 -5.074 -0.835 1.00 0.00 O ATOM 1021 CB ALA A 62 8.999 -3.512 -2.477 1.00 0.00 C ATOM 0 H ALA A 62 9.668 -4.302 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 62 11.119 -3.234 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.916 -3.264 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.804 -2.621 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.270 -4.283 -2.727 1.00 0.00 H new ATOM 1027 N ILE A 63 10.295 -6.412 -2.301 1.00 0.00 N ATOM 1028 CA ILE A 63 10.550 -7.635 -1.541 1.00 0.00 C ATOM 1029 C ILE A 63 12.050 -7.914 -1.447 1.00 0.00 C ATOM 1030 O ILE A 63 12.547 -8.318 -0.393 1.00 0.00 O ATOM 1031 CB ILE A 63 9.842 -8.856 -2.166 1.00 0.00 C ATOM 1032 CG1 ILE A 63 8.348 -8.572 -2.350 1.00 0.00 C ATOM 1033 CG2 ILE A 63 10.048 -10.092 -1.297 1.00 0.00 C ATOM 1034 CD1 ILE A 63 7.698 -9.412 -3.429 1.00 0.00 C ATOM 0 H ILE A 63 9.768 -6.553 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 63 10.147 -7.476 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 63 10.280 -9.046 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.834 -8.749 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.215 -7.518 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.543 -10.944 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.114 -10.304 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.635 -9.912 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.641 -9.156 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.185 -9.218 -4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.799 -10.468 -3.178 1.00 0.00 H new ATOM 1046 N ASP A 64 12.764 -7.694 -2.553 1.00 0.00 N ATOM 1047 CA ASP A 64 14.208 -7.918 -2.595 1.00 0.00 C ATOM 1048 C ASP A 64 14.921 -7.118 -1.503 1.00 0.00 C ATOM 1049 O ASP A 64 15.872 -7.606 -0.889 1.00 0.00 O ATOM 1050 CB ASP A 64 14.769 -7.544 -3.971 1.00 0.00 C ATOM 1051 CG ASP A 64 15.916 -8.442 -4.402 1.00 0.00 C ATOM 1052 OD1 ASP A 64 15.857 -9.662 -4.128 1.00 0.00 O ATOM 1053 OD2 ASP A 64 16.872 -7.927 -5.016 1.00 0.00 O ATOM 0 H ASP A 64 12.365 -7.361 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 64 14.387 -8.978 -2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.971 -7.601 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.111 -6.509 -3.950 1.00 0.00 H new ATOM 1058 N ILE A 65 14.452 -5.892 -1.258 1.00 0.00 N ATOM 1059 CA ILE A 65 15.042 -5.033 -0.232 1.00 0.00 C ATOM 1060 C ILE A 65 14.766 -5.583 1.166 1.00 0.00 C ATOM 1061 O ILE A 65 15.628 -5.520 2.045 1.00 0.00 O ATOM 1062 CB ILE A 65 14.508 -3.584 -0.320 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.601 -3.054 -1.757 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.273 -2.675 0.635 1.00 0.00 C ATOM 1065 CD1 ILE A 65 15.998 -3.103 -2.343 1.00 0.00 C ATOM 0 H ILE A 65 13.666 -5.474 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 65 16.117 -5.021 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 65 13.458 -3.590 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.931 -3.635 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.246 -2.024 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.884 -1.659 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.152 -3.036 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.331 -2.679 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.980 -2.712 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 65 16.670 -2.499 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 65 16.351 -4.134 -2.357 1.00 0.00 H new ATOM 1077 N LEU A 66 13.566 -6.127 1.363 1.00 0.00 N ATOM 1078 CA LEU A 66 13.179 -6.698 2.653 1.00 0.00 C ATOM 1079 C LEU A 66 14.079 -7.878 3.023 1.00 0.00 C ATOM 1080 O LEU A 66 14.417 -8.061 4.194 1.00 0.00 O ATOM 1081 CB LEU A 66 11.715 -7.146 2.623 1.00 0.00 C ATOM 1082 CG LEU A 66 11.007 -7.134 3.980 1.00 0.00 C ATOM 1083 CD1 LEU A 66 10.618 -5.712 4.368 1.00 0.00 C ATOM 1084 CD2 LEU A 66 9.782 -8.039 3.955 1.00 0.00 C ATOM 0 H LEU A 66 12.844 -6.185 0.645 1.00 0.00 H new ATOM 0 HA LEU A 66 13.297 -5.924 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.167 -6.499 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.668 -8.155 2.214 1.00 0.00 H new ATOM 0 HG LEU A 66 11.698 -7.517 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.116 -5.723 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.514 -5.094 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.946 -5.300 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.293 -8.016 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.087 -7.689 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.088 -9.060 3.726 1.00 0.00 H new ATOM 1096 N ASP A 67 14.466 -8.671 2.020 1.00 0.00 N ATOM 1097 CA ASP A 67 15.330 -9.831 2.243 1.00 0.00 C ATOM 1098 C ASP A 67 16.647 -9.414 2.896 1.00 0.00 C ATOM 1099 O ASP A 67 17.181 -10.130 3.744 1.00 0.00 O ATOM 1100 CB ASP A 67 15.612 -10.558 0.924 1.00 0.00 C ATOM 1101 CG ASP A 67 16.039 -12.000 1.133 1.00 0.00 C ATOM 1102 OD1 ASP A 67 15.356 -12.721 1.894 1.00 0.00 O ATOM 1103 OD2 ASP A 67 17.055 -12.408 0.534 1.00 0.00 O ATOM 0 H ASP A 67 14.194 -8.530 1.047 1.00 0.00 H new ATOM 0 HA ASP A 67 14.807 -10.510 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.717 -10.534 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.393 -10.027 0.380 1.00 0.00 H new ATOM 1108 N ARG A 68 17.161 -8.248 2.501 1.00 0.00 N ATOM 1109 CA ARG A 68 18.409 -7.729 3.056 1.00 0.00 C ATOM 1110 C ARG A 68 18.248 -7.398 4.541 1.00 0.00 C ATOM 1111 O ARG A 68 19.193 -7.526 5.320 1.00 0.00 O ATOM 1112 CB ARG A 68 18.857 -6.482 2.288 1.00 0.00 C ATOM 1113 CG ARG A 68 19.204 -6.748 0.829 1.00 0.00 C ATOM 1114 CD ARG A 68 19.046 -5.496 -0.020 1.00 0.00 C ATOM 1115 NE ARG A 68 20.038 -5.434 -1.096 1.00 0.00 N ATOM 1116 CZ ARG A 68 21.309 -5.064 -0.923 1.00 0.00 C ATOM 1117 NH1 ARG A 68 21.756 -4.723 0.284 1.00 0.00 N ATOM 1118 NH2 ARG A 68 22.139 -5.037 -1.961 1.00 0.00 N ATOM 0 H ARG A 68 16.731 -7.646 1.799 1.00 0.00 H new ATOM 0 HA ARG A 68 19.171 -8.501 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.064 -5.735 2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.727 -6.053 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.230 -7.109 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.561 -7.537 0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.044 -5.473 -0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.142 -4.614 0.613 1.00 0.00 H new ATOM 0 HE ARG A 68 19.739 -5.690 -2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.126 -4.743 1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.729 -4.442 0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.805 -5.299 -2.888 1.00 0.00 H new ATOM 0 HH22 ARG A 68 23.110 -4.754 -1.830 1.00 0.00 H new ATOM 1132 N SER A 69 17.040 -6.974 4.928 1.00 0.00 N ATOM 1133 CA SER A 69 16.751 -6.627 6.321 1.00 0.00 C ATOM 1134 C SER A 69 16.766 -7.871 7.215 1.00 0.00 C ATOM 1135 O SER A 69 16.731 -9.002 6.725 1.00 0.00 O ATOM 1136 CB SER A 69 15.394 -5.922 6.423 1.00 0.00 C ATOM 1137 OG SER A 69 15.151 -5.461 7.740 1.00 0.00 O ATOM 0 H SER A 69 16.248 -6.863 4.295 1.00 0.00 H new ATOM 0 HA SER A 69 17.531 -5.949 6.667 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.366 -5.081 5.730 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.602 -6.608 6.124 1.00 0.00 H new ATOM 0 HG SER A 69 14.360 -5.911 8.103 1.00 0.00 H new ATOM 1143 N SER A 70 16.824 -7.649 8.530 1.00 0.00 N ATOM 1144 CA SER A 70 16.851 -8.743 9.504 1.00 0.00 C ATOM 1145 C SER A 70 15.460 -9.331 9.738 1.00 0.00 C ATOM 1146 O SER A 70 15.316 -10.541 9.918 1.00 0.00 O ATOM 1147 CB SER A 70 17.429 -8.251 10.836 1.00 0.00 C ATOM 1148 OG SER A 70 18.254 -9.237 11.435 1.00 0.00 O ATOM 0 H SER A 70 16.853 -6.718 8.946 1.00 0.00 H new ATOM 0 HA SER A 70 17.485 -9.528 9.093 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.007 -7.342 10.670 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.616 -7.993 11.515 1.00 0.00 H new ATOM 0 HG SER A 70 18.610 -8.895 12.282 1.00 0.00 H new ATOM 1154 N SER A 71 14.441 -8.470 9.752 1.00 0.00 N ATOM 1155 CA SER A 71 13.066 -8.913 9.982 1.00 0.00 C ATOM 1156 C SER A 71 12.574 -9.821 8.854 1.00 0.00 C ATOM 1157 O SER A 71 12.379 -11.020 9.057 1.00 0.00 O ATOM 1158 CB SER A 71 12.127 -7.712 10.143 1.00 0.00 C ATOM 1159 OG SER A 71 12.613 -6.579 9.439 1.00 0.00 O ATOM 0 H SER A 71 14.542 -7.465 9.607 1.00 0.00 H new ATOM 0 HA SER A 71 13.059 -9.490 10.907 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.134 -7.972 9.776 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.023 -7.469 11.200 1.00 0.00 H new ATOM 0 HG SER A 71 11.993 -5.829 9.558 1.00 0.00 H new ATOM 1165 N MET A 72 12.366 -9.241 7.669 1.00 0.00 N ATOM 1166 CA MET A 72 11.889 -9.994 6.506 1.00 0.00 C ATOM 1167 C MET A 72 10.598 -10.762 6.826 1.00 0.00 C ATOM 1168 O MET A 72 10.339 -11.825 6.257 1.00 0.00 O ATOM 1169 CB MET A 72 12.975 -10.958 6.018 1.00 0.00 C ATOM 1170 CG MET A 72 12.671 -11.587 4.665 1.00 0.00 C ATOM 1171 SD MET A 72 12.812 -13.386 4.683 1.00 0.00 S ATOM 1172 CE MET A 72 14.505 -13.593 5.233 1.00 0.00 C ATOM 0 H MET A 72 12.521 -8.249 7.489 1.00 0.00 H new ATOM 0 HA MET A 72 11.664 -9.280 5.713 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.922 -10.423 5.955 1.00 0.00 H new ATOM 0 HB3 MET A 72 13.104 -11.750 6.756 1.00 0.00 H new ATOM 0 HG2 MET A 72 11.663 -11.309 4.359 1.00 0.00 H new ATOM 0 HG3 MET A 72 13.354 -11.181 3.919 1.00 0.00 H new ATOM 0 HE1 MET A 72 14.880 -14.561 4.901 1.00 0.00 H new ATOM 0 HE2 MET A 72 15.124 -12.800 4.812 1.00 0.00 H new ATOM 0 HE3 MET A 72 14.543 -13.544 6.321 1.00 0.00 H new ATOM 1182 N LYS A 73 9.788 -10.219 7.735 1.00 0.00 N ATOM 1183 CA LYS A 73 8.528 -10.856 8.120 1.00 0.00 C ATOM 1184 C LYS A 73 7.329 -9.967 7.779 1.00 0.00 C ATOM 1185 O LYS A 73 6.242 -10.468 7.481 1.00 0.00 O ATOM 1186 CB LYS A 73 8.524 -11.183 9.617 1.00 0.00 C ATOM 1187 CG LYS A 73 9.184 -12.513 9.953 1.00 0.00 C ATOM 1188 CD LYS A 73 8.213 -13.677 9.808 1.00 0.00 C ATOM 1189 CE LYS A 73 8.435 -14.433 8.504 1.00 0.00 C ATOM 1190 NZ LYS A 73 7.461 -15.551 8.330 1.00 0.00 N ATOM 0 H LYS A 73 9.981 -9.341 8.218 1.00 0.00 H new ATOM 0 HA LYS A 73 8.441 -11.783 7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.037 -10.386 10.156 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.494 -11.198 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.041 -12.670 9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.565 -12.482 10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.333 -14.359 10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.189 -13.304 9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.347 -13.742 7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.450 -14.830 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.648 -16.038 7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.562 -16.225 9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.493 -15.170 8.322 1.00 0.00 H new ATOM 1204 N SER A 74 7.533 -8.651 7.829 1.00 0.00 N ATOM 1205 CA SER A 74 6.475 -7.695 7.528 1.00 0.00 C ATOM 1206 C SER A 74 6.926 -6.700 6.456 1.00 0.00 C ATOM 1207 O SER A 74 8.115 -6.594 6.158 1.00 0.00 O ATOM 1208 CB SER A 74 6.066 -6.947 8.801 1.00 0.00 C ATOM 1209 OG SER A 74 7.203 -6.503 9.524 1.00 0.00 O ATOM 0 H SER A 74 8.426 -8.224 8.076 1.00 0.00 H new ATOM 0 HA SER A 74 5.616 -8.245 7.144 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.442 -6.092 8.539 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.463 -7.600 9.432 1.00 0.00 H new ATOM 0 HG SER A 74 6.913 -6.028 10.330 1.00 0.00 H new ATOM 1215 N LEU A 75 5.966 -5.973 5.885 1.00 0.00 N ATOM 1216 CA LEU A 75 6.263 -4.985 4.850 1.00 0.00 C ATOM 1217 C LEU A 75 5.967 -3.573 5.353 1.00 0.00 C ATOM 1218 O LEU A 75 4.843 -3.275 5.752 1.00 0.00 O ATOM 1219 CB LEU A 75 5.439 -5.275 3.589 1.00 0.00 C ATOM 1220 CG LEU A 75 6.160 -6.075 2.499 1.00 0.00 C ATOM 1221 CD1 LEU A 75 7.462 -5.395 2.101 1.00 0.00 C ATOM 1222 CD2 LEU A 75 6.418 -7.504 2.961 1.00 0.00 C ATOM 0 H LEU A 75 4.977 -6.050 6.122 1.00 0.00 H new ATOM 0 HA LEU A 75 7.323 -5.052 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.541 -5.819 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.113 -4.326 3.163 1.00 0.00 H new ATOM 0 HG LEU A 75 5.514 -6.111 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.956 -5.981 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.249 -4.396 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.114 -5.320 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.931 -8.054 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.039 -7.490 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.469 -7.991 3.185 1.00 0.00 H new ATOM 1234 N ARG A 76 6.982 -2.709 5.332 1.00 0.00 N ATOM 1235 CA ARG A 76 6.822 -1.327 5.788 1.00 0.00 C ATOM 1236 C ARG A 76 6.234 -0.456 4.680 1.00 0.00 C ATOM 1237 O ARG A 76 6.964 0.072 3.835 1.00 0.00 O ATOM 1238 CB ARG A 76 8.166 -0.758 6.255 1.00 0.00 C ATOM 1239 CG ARG A 76 8.443 -0.979 7.735 1.00 0.00 C ATOM 1240 CD ARG A 76 9.931 -1.123 8.011 1.00 0.00 C ATOM 1241 NE ARG A 76 10.219 -1.209 9.443 1.00 0.00 N ATOM 1242 CZ ARG A 76 10.271 -0.153 10.262 1.00 0.00 C ATOM 1243 NH1 ARG A 76 10.041 1.075 9.799 1.00 0.00 N ATOM 1244 NH2 ARG A 76 10.551 -0.327 11.550 1.00 0.00 N ATOM 0 H ARG A 76 7.920 -2.940 5.006 1.00 0.00 H new ATOM 0 HA ARG A 76 6.130 -1.324 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.966 -1.215 5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.190 0.311 6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.045 -0.142 8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.921 -1.874 8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.307 -2.016 7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.462 -0.272 7.585 1.00 0.00 H new ATOM 0 HE ARG A 76 10.391 -2.132 9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.823 1.216 8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.083 1.874 10.431 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.726 -1.265 11.912 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.591 0.477 12.176 1.00 0.00 H new ATOM 1258 N ILE A 77 4.907 -0.315 4.684 1.00 0.00 N ATOM 1259 CA ILE A 77 4.214 0.484 3.677 1.00 0.00 C ATOM 1260 C ILE A 77 3.317 1.537 4.330 1.00 0.00 C ATOM 1261 O ILE A 77 2.539 1.229 5.233 1.00 0.00 O ATOM 1262 CB ILE A 77 3.356 -0.403 2.746 1.00 0.00 C ATOM 1263 CG1 ILE A 77 4.154 -1.630 2.286 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.867 0.398 1.545 1.00 0.00 C ATOM 1265 CD1 ILE A 77 3.374 -2.558 1.380 1.00 0.00 C ATOM 0 H ILE A 77 4.292 -0.745 5.375 1.00 0.00 H new ATOM 0 HA ILE A 77 4.982 0.982 3.085 1.00 0.00 H new ATOM 0 HB ILE A 77 2.487 -0.748 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.050 -1.295 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.486 -2.186 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.265 -0.243 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.263 1.237 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.723 0.773 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.002 -3.402 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.492 -2.923 1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.065 -2.018 0.485 1.00 0.00 H new ATOM 1277 N LEU A 78 3.431 2.777 3.859 1.00 0.00 N ATOM 1278 CA LEU A 78 2.632 3.880 4.382 1.00 0.00 C ATOM 1279 C LEU A 78 1.692 4.418 3.305 1.00 0.00 C ATOM 1280 O LEU A 78 2.144 4.928 2.280 1.00 0.00 O ATOM 1281 CB LEU A 78 3.547 5.001 4.883 1.00 0.00 C ATOM 1282 CG LEU A 78 2.863 6.082 5.727 1.00 0.00 C ATOM 1283 CD1 LEU A 78 2.694 5.611 7.165 1.00 0.00 C ATOM 1284 CD2 LEU A 78 3.663 7.378 5.678 1.00 0.00 C ATOM 0 H LEU A 78 4.073 3.043 3.112 1.00 0.00 H new ATOM 0 HA LEU A 78 2.033 3.509 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.348 4.556 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.013 5.478 4.021 1.00 0.00 H new ATOM 0 HG LEU A 78 1.873 6.271 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.207 6.392 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.082 4.709 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.672 5.394 7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.165 8.136 6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.665 7.202 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.733 7.724 4.647 1.00 0.00 H new ATOM 1296 N LEU A 79 0.386 4.308 3.540 1.00 0.00 N ATOM 1297 CA LEU A 79 -0.602 4.793 2.582 1.00 0.00 C ATOM 1298 C LEU A 79 -1.332 6.016 3.124 1.00 0.00 C ATOM 1299 O LEU A 79 -1.735 6.045 4.288 1.00 0.00 O ATOM 1300 CB LEU A 79 -1.605 3.689 2.222 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.393 3.097 3.395 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -3.713 3.832 3.586 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -2.639 1.611 3.170 1.00 0.00 C ATOM 0 H LEU A 79 -0.010 3.889 4.382 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.071 5.084 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.314 4.090 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.066 2.882 1.726 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.801 3.220 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.255 3.394 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.517 4.885 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.313 3.744 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.200 1.204 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.210 1.472 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.684 1.093 3.086 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.494 7.027 2.272 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.173 8.259 2.661 1.00 0.00 C ATOM 1317 C LEU A 80 -3.145 8.705 1.573 1.00 0.00 C ATOM 1318 O LEU A 80 -2.967 8.383 0.396 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.154 9.371 2.946 1.00 0.00 C ATOM 1320 CG LEU A 80 0.090 8.939 3.736 1.00 0.00 C ATOM 1321 CD1 LEU A 80 1.230 9.925 3.524 1.00 0.00 C ATOM 1322 CD2 LEU A 80 -0.236 8.809 5.218 1.00 0.00 C ATOM 0 H LEU A 80 -1.163 7.016 1.307 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.738 8.061 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.830 9.796 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.655 10.167 3.497 1.00 0.00 H new ATOM 0 HG LEU A 80 0.408 7.964 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.102 9.601 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.482 9.967 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.923 10.914 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.658 8.502 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.581 9.770 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.018 8.062 5.354 1.00 0.00 H new ATOM 1334 N SER A 81 -4.173 9.448 1.973 1.00 0.00 N ATOM 1335 CA SER A 81 -5.176 9.940 1.033 1.00 0.00 C ATOM 1336 C SER A 81 -4.775 11.301 0.468 1.00 0.00 C ATOM 1337 O SER A 81 -4.177 12.123 1.165 1.00 0.00 O ATOM 1338 CB SER A 81 -6.542 10.039 1.721 1.00 0.00 C ATOM 1339 OG SER A 81 -7.593 10.113 0.772 1.00 0.00 O ATOM 0 H SER A 81 -4.334 9.723 2.942 1.00 0.00 H new ATOM 0 HA SER A 81 -5.243 9.232 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.691 9.172 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.566 10.920 2.362 1.00 0.00 H new ATOM 0 HG SER A 81 -7.332 9.636 -0.043 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.111 11.534 -0.800 1.00 0.00 N ATOM 1346 CA GLN A 82 -4.791 12.798 -1.464 1.00 0.00 C ATOM 1347 C GLN A 82 -5.884 13.853 -1.264 1.00 0.00 C ATOM 1348 O GLN A 82 -5.828 14.935 -1.851 1.00 0.00 O ATOM 1349 CB GLN A 82 -4.536 12.570 -2.959 1.00 0.00 C ATOM 1350 CG GLN A 82 -3.128 12.078 -3.260 1.00 0.00 C ATOM 1351 CD GLN A 82 -2.217 13.177 -3.773 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -1.618 13.054 -4.842 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -2.107 14.262 -3.014 1.00 0.00 N ATOM 0 H GLN A 82 -5.605 10.864 -1.389 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.882 13.182 -1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.256 11.844 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.711 13.502 -3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.697 11.648 -2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.178 11.279 -4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.621 14.324 -2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.509 15.033 -3.310 1.00 0.00 H new ATOM 1362 N ASP A 83 -6.872 13.530 -0.442 1.00 0.00 N ATOM 1363 CA ASP A 83 -7.983 14.446 -0.167 1.00 0.00 C ATOM 1364 C ASP A 83 -7.509 15.704 0.579 1.00 0.00 C ATOM 1365 O ASP A 83 -7.365 15.698 1.801 1.00 0.00 O ATOM 1366 CB ASP A 83 -9.098 13.732 0.627 1.00 0.00 C ATOM 1367 CG ASP A 83 -8.604 12.915 1.818 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -7.424 13.051 2.208 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -9.411 12.134 2.365 1.00 0.00 O ATOM 0 H ASP A 83 -6.932 12.639 0.050 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.390 14.764 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.807 14.479 0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.643 13.073 -0.049 1.00 0.00 H new ATOM 1374 N ARG A 84 -7.277 16.789 -0.175 1.00 0.00 N ATOM 1375 CA ARG A 84 -6.827 18.072 0.388 1.00 0.00 C ATOM 1376 C ARG A 84 -5.392 17.993 0.911 1.00 0.00 C ATOM 1377 O ARG A 84 -5.096 17.240 1.841 1.00 0.00 O ATOM 1378 CB ARG A 84 -7.768 18.538 1.509 1.00 0.00 C ATOM 1379 CG ARG A 84 -8.925 19.394 1.016 1.00 0.00 C ATOM 1380 CD ARG A 84 -8.477 20.817 0.707 1.00 0.00 C ATOM 1381 NE ARG A 84 -9.608 21.745 0.623 1.00 0.00 N ATOM 1382 CZ ARG A 84 -10.294 22.191 1.681 1.00 0.00 C ATOM 1383 NH1 ARG A 84 -9.978 21.787 2.911 1.00 0.00 N ATOM 1384 NH2 ARG A 84 -11.301 23.042 1.509 1.00 0.00 N ATOM 0 H ARG A 84 -7.395 16.803 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.850 18.801 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.167 17.664 2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.194 19.105 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.355 18.945 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.711 19.415 1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.788 21.156 1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.929 20.828 -0.235 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.890 22.072 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.208 21.133 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.506 22.132 3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.550 23.354 0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.824 23.382 2.316 1.00 0.00 H new ATOM 1398 N ASN A 85 -4.501 18.786 0.307 1.00 0.00 N ATOM 1399 CA ASN A 85 -3.096 18.816 0.708 1.00 0.00 C ATOM 1400 C ASN A 85 -2.564 20.251 0.711 1.00 0.00 C ATOM 1401 O ASN A 85 -2.172 20.778 -0.333 1.00 0.00 O ATOM 1402 CB ASN A 85 -2.251 17.951 -0.235 1.00 0.00 C ATOM 1403 CG ASN A 85 -2.705 16.505 -0.271 1.00 0.00 C ATOM 1404 OD1 ASN A 85 -3.366 16.076 -1.214 1.00 0.00 O ATOM 1405 ND2 ASN A 85 -2.348 15.741 0.756 1.00 0.00 N ATOM 0 H ASN A 85 -4.731 19.415 -0.462 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.025 18.414 1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.298 18.367 -1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -1.208 17.992 0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.623 14.759 0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.799 16.136 1.519 1.00 0.00 H new ATOM 1412 N LEU A 86 -2.549 20.877 1.889 1.00 0.00 N ATOM 1413 CA LEU A 86 -2.059 22.249 2.025 1.00 0.00 C ATOM 1414 C LEU A 86 -0.532 22.275 1.984 1.00 0.00 C ATOM 1415 O LEU A 86 0.127 21.624 2.796 1.00 0.00 O ATOM 1416 CB LEU A 86 -2.561 22.873 3.334 1.00 0.00 C ATOM 1417 CG LEU A 86 -3.696 23.894 3.187 1.00 0.00 C ATOM 1418 CD1 LEU A 86 -3.203 25.147 2.479 1.00 0.00 C ATOM 1419 CD2 LEU A 86 -4.876 23.284 2.442 1.00 0.00 C ATOM 0 H LEU A 86 -2.870 20.456 2.761 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.443 22.834 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.899 22.072 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.721 23.359 3.830 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.032 24.176 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.023 25.858 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.396 25.598 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.835 24.884 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.670 24.025 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.556 22.969 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.248 22.421 2.994 1.00 0.00 H new ATOM 1431 N GLU A 87 0.022 23.022 1.031 1.00 0.00 N ATOM 1432 CA GLU A 87 1.474 23.123 0.876 1.00 0.00 C ATOM 1433 C GLU A 87 2.058 24.210 1.782 1.00 0.00 C ATOM 1434 O GLU A 87 2.731 23.908 2.769 1.00 0.00 O ATOM 1435 CB GLU A 87 1.832 23.409 -0.586 1.00 0.00 C ATOM 1436 CG GLU A 87 2.746 22.363 -1.209 1.00 0.00 C ATOM 1437 CD GLU A 87 2.311 21.967 -2.607 1.00 0.00 C ATOM 1438 OE1 GLU A 87 2.502 22.778 -3.539 1.00 0.00 O ATOM 1439 OE2 GLU A 87 1.781 20.848 -2.769 1.00 0.00 O ATOM 0 H GLU A 87 -0.512 23.567 0.354 1.00 0.00 H new ATOM 0 HA GLU A 87 1.909 22.168 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.914 23.470 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.315 24.384 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.764 22.751 -1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.765 21.477 -0.574 1.00 0.00 H new ATOM 1446 N HIS A 88 1.804 25.473 1.436 1.00 0.00 N ATOM 1447 CA HIS A 88 2.311 26.602 2.216 1.00 0.00 C ATOM 1448 C HIS A 88 1.257 27.700 2.338 1.00 0.00 C ATOM 1449 O HIS A 88 0.675 28.132 1.340 1.00 0.00 O ATOM 1450 CB HIS A 88 3.589 27.165 1.584 1.00 0.00 C ATOM 1451 CG HIS A 88 3.499 27.375 0.103 1.00 0.00 C ATOM 1452 ND1 HIS A 88 3.801 26.391 -0.816 1.00 0.00 N ATOM 1453 CD2 HIS A 88 3.136 28.464 -0.620 1.00 0.00 C ATOM 1454 CE1 HIS A 88 3.631 26.864 -2.037 1.00 0.00 C ATOM 1455 NE2 HIS A 88 3.227 28.118 -1.946 1.00 0.00 N ATOM 0 H HIS A 88 1.251 25.739 0.621 1.00 0.00 H new ATOM 0 HA HIS A 88 2.546 26.238 3.216 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.829 28.115 2.061 1.00 0.00 H new ATOM 0 HB3 HIS A 88 4.415 26.486 1.794 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.832 29.423 -0.227 1.00 0.00 H new ATOM 0 HE1 HIS A 88 3.795 26.318 -2.954 1.00 0.00 H new ATOM 0 HE2 HIS A 88 3.016 28.731 -2.734 1.00 0.00 H new ATOM 1464 N HIS A 89 1.017 28.148 3.568 1.00 0.00 N ATOM 1465 CA HIS A 89 0.029 29.197 3.830 1.00 0.00 C ATOM 1466 C HIS A 89 0.685 30.573 3.997 1.00 0.00 C ATOM 1467 O HIS A 89 0.004 31.597 3.926 1.00 0.00 O ATOM 1468 CB HIS A 89 -0.800 28.854 5.075 1.00 0.00 C ATOM 1469 CG HIS A 89 0.021 28.557 6.295 1.00 0.00 C ATOM 1470 ND1 HIS A 89 0.323 29.506 7.252 1.00 0.00 N ATOM 1471 CD2 HIS A 89 0.603 27.408 6.714 1.00 0.00 C ATOM 1472 CE1 HIS A 89 1.053 28.952 8.204 1.00 0.00 C ATOM 1473 NE2 HIS A 89 1.238 27.680 7.901 1.00 0.00 N ATOM 0 H HIS A 89 1.493 27.802 4.401 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.629 29.247 2.962 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -1.468 29.687 5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.428 27.991 4.854 1.00 0.00 H new ATOM 0 HD1 HIS A 89 0.028 30.482 7.228 1.00 0.00 H new ATOM 0 HD2 HIS A 89 0.573 26.454 6.208 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.434 29.454 9.081 1.00 0.00 H new ATOM 1482 N HIS A 90 2.007 30.594 4.221 1.00 0.00 N ATOM 1483 CA HIS A 90 2.750 31.842 4.402 1.00 0.00 C ATOM 1484 C HIS A 90 2.329 32.555 5.690 1.00 0.00 C ATOM 1485 O HIS A 90 1.289 32.240 6.271 1.00 0.00 O ATOM 1486 CB HIS A 90 2.553 32.767 3.194 1.00 0.00 C ATOM 1487 CG HIS A 90 3.658 32.683 2.185 1.00 0.00 C ATOM 1488 ND1 HIS A 90 3.821 31.609 1.334 1.00 0.00 N ATOM 1489 CD2 HIS A 90 4.653 33.552 1.884 1.00 0.00 C ATOM 1490 CE1 HIS A 90 4.868 31.821 0.557 1.00 0.00 C ATOM 1491 NE2 HIS A 90 5.391 32.992 0.869 1.00 0.00 N ATOM 0 H HIS A 90 2.583 29.754 4.281 1.00 0.00 H new ATOM 0 HA HIS A 90 3.808 31.591 4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.609 32.519 2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.471 33.796 3.545 1.00 0.00 H new ATOM 0 HD2 HIS A 90 4.833 34.507 2.354 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.234 31.149 -0.205 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.209 33.413 0.429 1.00 0.00 H new ATOM 1500 N HIS A 91 3.148 33.514 6.132 1.00 0.00 N ATOM 1501 CA HIS A 91 2.871 34.276 7.353 1.00 0.00 C ATOM 1502 C HIS A 91 2.939 33.377 8.592 1.00 0.00 C ATOM 1503 O HIS A 91 2.036 32.576 8.842 1.00 0.00 O ATOM 1504 CB HIS A 91 1.495 34.956 7.264 1.00 0.00 C ATOM 1505 CG HIS A 91 1.241 35.960 8.349 1.00 0.00 C ATOM 1506 ND1 HIS A 91 2.249 36.581 9.063 1.00 0.00 N ATOM 1507 CD2 HIS A 91 0.080 36.454 8.842 1.00 0.00 C ATOM 1508 CE1 HIS A 91 1.718 37.409 9.945 1.00 0.00 C ATOM 1509 NE2 HIS A 91 0.404 37.351 9.831 1.00 0.00 N ATOM 0 H HIS A 91 4.012 33.782 5.660 1.00 0.00 H new ATOM 0 HA HIS A 91 3.637 35.045 7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.407 35.451 6.297 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.720 34.191 7.302 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.916 36.191 8.518 1.00 0.00 H new ATOM 0 HE1 HIS A 91 2.265 38.028 10.641 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.263 37.886 10.387 1.00 0.00 H new ATOM 1518 N HIS A 92 4.018 33.513 9.365 1.00 0.00 N ATOM 1519 CA HIS A 92 4.206 32.715 10.575 1.00 0.00 C ATOM 1520 C HIS A 92 4.838 33.544 11.690 1.00 0.00 C ATOM 1521 O HIS A 92 5.576 34.496 11.426 1.00 0.00 O ATOM 1522 CB HIS A 92 5.081 31.493 10.274 1.00 0.00 C ATOM 1523 CG HIS A 92 4.711 30.281 11.070 1.00 0.00 C ATOM 1524 ND1 HIS A 92 4.077 29.183 10.527 1.00 0.00 N ATOM 1525 CD2 HIS A 92 4.883 30.000 12.385 1.00 0.00 C ATOM 1526 CE1 HIS A 92 3.875 28.281 11.472 1.00 0.00 C ATOM 1527 NE2 HIS A 92 4.356 28.754 12.608 1.00 0.00 N ATOM 0 H HIS A 92 4.775 34.169 9.173 1.00 0.00 H new ATOM 0 HA HIS A 92 3.225 32.381 10.912 1.00 0.00 H new ATOM 0 HB2 HIS A 92 5.008 31.257 9.212 1.00 0.00 H new ATOM 0 HB3 HIS A 92 6.123 31.744 10.473 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.349 30.639 13.121 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.398 27.321 11.338 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.338 28.270 13.506 1.00 0.00 H new ATOM 1536 N HIS A 93 4.546 33.173 12.939 1.00 0.00 N ATOM 1537 CA HIS A 93 5.087 33.877 14.103 1.00 0.00 C ATOM 1538 C HIS A 93 6.243 33.096 14.730 1.00 0.00 C ATOM 1539 O HIS A 93 7.278 33.722 15.037 1.00 0.00 O ATOM 1540 CB HIS A 93 3.988 34.133 15.147 1.00 0.00 C ATOM 1541 CG HIS A 93 3.376 32.887 15.718 1.00 0.00 C ATOM 1542 ND1 HIS A 93 3.607 32.458 17.010 1.00 0.00 N ATOM 1543 CD2 HIS A 93 2.539 31.976 15.167 1.00 0.00 C ATOM 1544 CE1 HIS A 93 2.939 31.338 17.225 1.00 0.00 C ATOM 1545 NE2 HIS A 93 2.283 31.024 16.123 1.00 0.00 N ATOM 1546 OXT HIS A 93 6.105 31.866 14.910 1.00 0.00 O ATOM 0 H HIS A 93 3.937 32.388 13.170 1.00 0.00 H new ATOM 0 HA HIS A 93 5.470 34.838 13.760 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.407 34.724 15.961 1.00 0.00 H new ATOM 0 HB3 HIS A 93 3.202 34.733 14.690 1.00 0.00 H new ATOM 0 HD2 HIS A 93 2.146 31.995 14.161 1.00 0.00 H new ATOM 0 HE1 HIS A 93 2.931 30.775 18.146 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.684 30.208 16.002 1.00 0.00 H new TER 1555 HIS A 93