USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=15 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 1 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Set 1.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.076 X(o=-0.076,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 135:sc= 0.176 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 34 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.766 X(o=-0.77,f=-0.37) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 47 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.97) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc=-0.00618 (180deg=-0.109) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.0478 X(o=-0.048,f=-0.4) USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0668) USER MOD Single : A 69 SER OG : rot 150:sc= -0.215 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) 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 47:sc= 0.36 USER MOD Single : A 82 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.00057) USER MOD Single : A 89 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.16) USER MOD Single : A 90 HIS : no HE2:sc= -1.17! C(o=-1.2!,f=-3.7!) USER MOD Single : A 91 HIS : no HD1:sc= -0.325 X(o=-0.33,f=-0.11) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.622 -19.158 3.952 1.00 0.00 N ATOM 2 CA GLN A 1 7.199 -19.750 2.651 1.00 0.00 C ATOM 3 C GLN A 1 5.711 -19.506 2.392 1.00 0.00 C ATOM 4 O GLN A 1 4.856 -20.140 3.014 1.00 0.00 O ATOM 5 CB GLN A 1 7.500 -21.256 2.665 1.00 0.00 C ATOM 6 CG GLN A 1 8.410 -21.706 1.532 1.00 0.00 C ATOM 7 CD GLN A 1 7.662 -22.449 0.439 1.00 0.00 C ATOM 8 OE1 GLN A 1 6.591 -22.024 0.005 1.00 0.00 O ATOM 9 NE2 GLN A 1 8.223 -23.566 -0.014 1.00 0.00 N ATOM 0 H1 GLN A 1 8.635 -19.338 4.102 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.451 -18.132 3.939 1.00 0.00 H new ATOM 0 H3 GLN A 1 7.075 -19.590 4.724 1.00 0.00 H new ATOM 0 HA GLN A 1 7.756 -19.271 1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 1 7.963 -21.517 3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 1 6.561 -21.806 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.904 -20.835 1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.192 -22.350 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 1 9.112 -23.884 0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.765 -24.105 -0.748 1.00 0.00 H new ATOM 18 N SER A 2 5.415 -18.578 1.476 1.00 0.00 N ATOM 19 CA SER A 2 4.034 -18.227 1.126 1.00 0.00 C ATOM 20 C SER A 2 3.338 -17.509 2.285 1.00 0.00 C ATOM 21 O SER A 2 3.815 -17.543 3.419 1.00 0.00 O ATOM 22 CB SER A 2 3.234 -19.475 0.728 1.00 0.00 C ATOM 23 OG SER A 2 4.028 -20.380 -0.019 1.00 0.00 O ATOM 0 H SER A 2 6.120 -18.052 0.959 1.00 0.00 H new ATOM 0 HA SER A 2 4.074 -17.551 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.860 -19.970 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.365 -19.180 0.140 1.00 0.00 H new ATOM 0 HG SER A 2 3.493 -21.166 -0.257 1.00 0.00 H new ATOM 29 N ASP A 3 2.206 -16.860 1.983 1.00 0.00 N ATOM 30 CA ASP A 3 1.426 -16.128 2.988 1.00 0.00 C ATOM 31 C ASP A 3 2.273 -15.055 3.676 1.00 0.00 C ATOM 32 O ASP A 3 2.960 -15.327 4.661 1.00 0.00 O ATOM 33 CB ASP A 3 0.847 -17.090 4.031 1.00 0.00 C ATOM 34 CG ASP A 3 -0.409 -17.783 3.542 1.00 0.00 C ATOM 35 OD1 ASP A 3 -0.288 -18.793 2.818 1.00 0.00 O ATOM 36 OD2 ASP A 3 -1.517 -17.312 3.878 1.00 0.00 O ATOM 0 H ASP A 3 1.808 -16.828 1.044 1.00 0.00 H new ATOM 0 HA ASP A 3 0.604 -15.634 2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.596 -17.839 4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.623 -16.539 4.945 1.00 0.00 H new ATOM 41 N VAL A 4 2.217 -13.833 3.147 1.00 0.00 N ATOM 42 CA VAL A 4 2.980 -12.722 3.707 1.00 0.00 C ATOM 43 C VAL A 4 2.068 -11.717 4.414 1.00 0.00 C ATOM 44 O VAL A 4 1.081 -11.251 3.842 1.00 0.00 O ATOM 45 CB VAL A 4 3.794 -11.992 2.617 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.739 -10.976 3.243 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.566 -12.986 1.761 1.00 0.00 C ATOM 0 H VAL A 4 1.652 -13.589 2.333 1.00 0.00 H new ATOM 0 HA VAL A 4 3.667 -13.150 4.437 1.00 0.00 H new ATOM 0 HB VAL A 4 3.096 -11.459 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.303 -10.472 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.163 -10.241 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.429 -11.486 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.132 -12.448 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.252 -13.553 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.868 -13.670 1.278 1.00 0.00 H new ATOM 57 N ARG A 5 2.414 -11.387 5.659 1.00 0.00 N ATOM 58 CA ARG A 5 1.635 -10.436 6.451 1.00 0.00 C ATOM 59 C ARG A 5 2.140 -9.010 6.237 1.00 0.00 C ATOM 60 O ARG A 5 3.262 -8.674 6.625 1.00 0.00 O ATOM 61 CB ARG A 5 1.700 -10.797 7.939 1.00 0.00 C ATOM 62 CG ARG A 5 0.623 -11.778 8.376 1.00 0.00 C ATOM 63 CD ARG A 5 1.105 -12.668 9.513 1.00 0.00 C ATOM 64 NE ARG A 5 0.704 -14.063 9.325 1.00 0.00 N ATOM 65 CZ ARG A 5 0.679 -14.975 10.302 1.00 0.00 C ATOM 66 NH1 ARG A 5 1.039 -14.653 11.541 1.00 0.00 N ATOM 67 NH2 ARG A 5 0.292 -16.218 10.034 1.00 0.00 N ATOM 0 H ARG A 5 3.230 -11.765 6.141 1.00 0.00 H new ATOM 0 HA ARG A 5 0.598 -10.490 6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.679 -11.224 8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.610 -9.885 8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.263 -11.229 8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.328 -12.397 7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.191 -12.609 9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.704 -12.299 10.457 1.00 0.00 H new ATOM 0 HE ARG A 5 0.426 -14.358 8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.338 -13.701 11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.016 -15.358 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.016 -16.473 9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.271 -16.917 10.777 1.00 0.00 H new ATOM 81 N ILE A 6 1.306 -8.177 5.616 1.00 0.00 N ATOM 82 CA ILE A 6 1.661 -6.786 5.346 1.00 0.00 C ATOM 83 C ILE A 6 0.966 -5.840 6.324 1.00 0.00 C ATOM 84 O ILE A 6 -0.236 -5.965 6.573 1.00 0.00 O ATOM 85 CB ILE A 6 1.294 -6.381 3.900 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.841 -7.403 2.897 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.822 -4.989 3.580 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.803 -7.902 1.915 1.00 0.00 C ATOM 0 H ILE A 6 0.377 -8.443 5.290 1.00 0.00 H new ATOM 0 HA ILE A 6 2.740 -6.704 5.473 1.00 0.00 H new ATOM 0 HB ILE A 6 0.207 -6.364 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.665 -6.952 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.251 -8.253 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.553 -4.724 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.385 -4.267 4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.907 -4.979 3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.261 -8.622 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.011 -8.382 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.410 -7.062 1.342 1.00 0.00 H new ATOM 100 N LYS A 7 1.729 -4.894 6.872 1.00 0.00 N ATOM 101 CA LYS A 7 1.188 -3.923 7.818 1.00 0.00 C ATOM 102 C LYS A 7 0.768 -2.643 7.099 1.00 0.00 C ATOM 103 O LYS A 7 1.548 -2.063 6.337 1.00 0.00 O ATOM 104 CB LYS A 7 2.215 -3.601 8.907 1.00 0.00 C ATOM 105 CG LYS A 7 1.702 -3.846 10.318 1.00 0.00 C ATOM 106 CD LYS A 7 2.192 -5.178 10.867 1.00 0.00 C ATOM 107 CE LYS A 7 2.368 -5.133 12.378 1.00 0.00 C ATOM 108 NZ LYS A 7 3.444 -6.054 12.845 1.00 0.00 N ATOM 0 H LYS A 7 2.724 -4.781 6.676 1.00 0.00 H new ATOM 0 HA LYS A 7 0.308 -4.363 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.107 -4.205 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.515 -2.557 8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.032 -3.039 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.612 -3.830 10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.482 -5.963 10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.141 -5.438 10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.605 -4.114 12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.428 -5.401 12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.530 -5.991 13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.207 -7.030 12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.347 -5.784 12.406 1.00 0.00 H new ATOM 122 N PHE A 8 -0.467 -2.212 7.345 1.00 0.00 N ATOM 123 CA PHE A 8 -1.002 -1.002 6.726 1.00 0.00 C ATOM 124 C PHE A 8 -1.326 0.053 7.782 1.00 0.00 C ATOM 125 O PHE A 8 -1.962 -0.247 8.795 1.00 0.00 O ATOM 126 CB PHE A 8 -2.258 -1.338 5.911 1.00 0.00 C ATOM 127 CG PHE A 8 -1.984 -2.224 4.724 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.662 -1.676 3.491 1.00 0.00 C ATOM 129 CD2 PHE A 8 -2.045 -3.603 4.843 1.00 0.00 C ATOM 130 CE1 PHE A 8 -1.406 -2.488 2.403 1.00 0.00 C ATOM 131 CE2 PHE A 8 -1.792 -4.420 3.758 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.472 -3.860 2.536 1.00 0.00 C ATOM 0 H PHE A 8 -1.118 -2.685 7.971 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.243 -0.594 6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.983 -1.828 6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.716 -0.411 5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.611 -0.603 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.294 -4.045 5.796 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.154 -2.049 1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.844 -5.493 3.865 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.274 -4.496 1.686 1.00 0.00 H new ATOM 142 N GLU A 9 -0.880 1.288 7.539 1.00 0.00 N ATOM 143 CA GLU A 9 -1.118 2.387 8.469 1.00 0.00 C ATOM 144 C GLU A 9 -1.930 3.500 7.807 1.00 0.00 C ATOM 145 O GLU A 9 -1.532 4.038 6.772 1.00 0.00 O ATOM 146 CB GLU A 9 0.215 2.943 8.980 1.00 0.00 C ATOM 147 CG GLU A 9 0.865 2.076 10.049 1.00 0.00 C ATOM 148 CD GLU A 9 2.338 1.822 9.783 1.00 0.00 C ATOM 149 OE1 GLU A 9 3.161 2.706 10.102 1.00 0.00 O ATOM 150 OE2 GLU A 9 2.668 0.735 9.263 1.00 0.00 O ATOM 0 H GLU A 9 -0.353 1.549 6.706 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.692 2.001 9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.902 3.047 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.052 3.942 9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.754 2.559 11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.341 1.122 10.105 1.00 0.00 H new ATOM 157 N HIS A 10 -3.068 3.837 8.415 1.00 0.00 N ATOM 158 CA HIS A 10 -3.945 4.882 7.892 1.00 0.00 C ATOM 159 C HIS A 10 -4.299 5.889 8.986 1.00 0.00 C ATOM 160 O HIS A 10 -4.919 5.532 9.988 1.00 0.00 O ATOM 161 CB HIS A 10 -5.223 4.258 7.325 1.00 0.00 C ATOM 162 CG HIS A 10 -6.084 5.218 6.563 1.00 0.00 C ATOM 163 ND1 HIS A 10 -7.456 5.254 6.683 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.763 6.177 5.660 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.943 6.191 5.889 1.00 0.00 C ATOM 166 NE2 HIS A 10 -6.937 6.767 5.258 1.00 0.00 N ATOM 0 H HIS A 10 -3.404 3.399 9.273 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.417 5.407 7.096 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.951 3.431 6.669 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.804 3.837 8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.770 6.430 5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.987 6.443 5.776 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.018 7.526 4.582 1.00 0.00 H new ATOM 175 N ASN A 11 -3.901 7.146 8.779 1.00 0.00 N ATOM 176 CA ASN A 11 -4.174 8.217 9.741 1.00 0.00 C ATOM 177 C ASN A 11 -3.590 7.894 11.121 1.00 0.00 C ATOM 178 O ASN A 11 -4.162 8.260 12.149 1.00 0.00 O ATOM 179 CB ASN A 11 -5.685 8.463 9.846 1.00 0.00 C ATOM 180 CG ASN A 11 -6.064 9.891 9.502 1.00 0.00 C ATOM 181 OD1 ASN A 11 -6.709 10.581 10.290 1.00 0.00 O ATOM 182 ND2 ASN A 11 -5.663 10.345 8.318 1.00 0.00 N ATOM 0 H ASN A 11 -3.387 7.448 7.951 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.690 9.124 9.379 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.209 7.780 9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.018 8.236 10.859 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.889 11.298 8.034 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.130 9.740 7.694 1.00 0.00 H new ATOM 189 N GLY A 12 -2.447 7.202 11.138 1.00 0.00 N ATOM 190 CA GLY A 12 -1.811 6.841 12.396 1.00 0.00 C ATOM 191 C GLY A 12 -2.191 5.446 12.876 1.00 0.00 C ATOM 192 O GLY A 12 -1.404 4.787 13.556 1.00 0.00 O ATOM 0 H GLY A 12 -1.953 6.887 10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.729 6.897 12.279 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.087 7.569 13.159 1.00 0.00 H new ATOM 196 N GLU A 13 -3.396 4.995 12.516 1.00 0.00 N ATOM 197 CA GLU A 13 -3.877 3.672 12.910 1.00 0.00 C ATOM 198 C GLU A 13 -3.028 2.567 12.281 1.00 0.00 C ATOM 199 O GLU A 13 -2.500 2.729 11.178 1.00 0.00 O ATOM 200 CB GLU A 13 -5.345 3.502 12.503 1.00 0.00 C ATOM 201 CG GLU A 13 -6.011 2.271 13.101 1.00 0.00 C ATOM 202 CD GLU A 13 -7.261 1.858 12.344 1.00 0.00 C ATOM 203 OE1 GLU A 13 -7.159 1.585 11.128 1.00 0.00 O ATOM 204 OE2 GLU A 13 -8.341 1.805 12.969 1.00 0.00 O ATOM 0 H GLU A 13 -4.056 5.530 11.951 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.793 3.590 13.994 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.901 4.388 12.808 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.406 3.445 11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.302 1.443 13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.270 2.471 14.141 1.00 0.00 H new ATOM 211 N ARG A 14 -2.896 1.447 12.994 1.00 0.00 N ATOM 212 CA ARG A 14 -2.108 0.314 12.516 1.00 0.00 C ATOM 213 C ARG A 14 -2.970 -0.944 12.391 1.00 0.00 C ATOM 214 O ARG A 14 -3.752 -1.262 13.290 1.00 0.00 O ATOM 215 CB ARG A 14 -0.935 0.049 13.464 1.00 0.00 C ATOM 216 CG ARG A 14 -0.022 1.250 13.655 1.00 0.00 C ATOM 217 CD ARG A 14 1.083 0.963 14.661 1.00 0.00 C ATOM 218 NE ARG A 14 2.359 0.665 14.010 1.00 0.00 N ATOM 219 CZ ARG A 14 3.544 0.713 14.624 1.00 0.00 C ATOM 220 NH1 ARG A 14 3.624 1.033 15.915 1.00 0.00 N ATOM 221 NH2 ARG A 14 4.654 0.434 13.949 1.00 0.00 N ATOM 0 H ARG A 14 -3.327 1.302 13.907 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.723 0.565 11.528 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.325 -0.258 14.434 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.348 -0.785 13.078 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.420 1.527 12.698 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.609 2.103 13.993 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.205 1.823 15.319 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.791 0.120 15.288 1.00 0.00 H new ATOM 0 HE ARG A 14 2.342 0.404 13.024 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.776 1.244 16.442 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.533 1.067 16.377 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.601 0.183 12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.559 0.471 14.418 1.00 0.00 H new ATOM 235 N ARG A 15 -2.822 -1.653 11.268 1.00 0.00 N ATOM 236 CA ARG A 15 -3.587 -2.876 11.021 1.00 0.00 C ATOM 237 C ARG A 15 -2.740 -3.925 10.293 1.00 0.00 C ATOM 238 O ARG A 15 -1.843 -3.584 9.519 1.00 0.00 O ATOM 239 CB ARG A 15 -4.841 -2.554 10.201 1.00 0.00 C ATOM 240 CG ARG A 15 -5.805 -1.607 10.906 1.00 0.00 C ATOM 241 CD ARG A 15 -7.139 -1.512 10.180 1.00 0.00 C ATOM 242 NE ARG A 15 -7.882 -2.773 10.217 1.00 0.00 N ATOM 243 CZ ARG A 15 -9.187 -2.879 9.944 1.00 0.00 C ATOM 244 NH1 ARG A 15 -9.901 -1.798 9.634 1.00 0.00 N ATOM 245 NH2 ARG A 15 -9.781 -4.067 9.987 1.00 0.00 N ATOM 0 H ARG A 15 -2.180 -1.400 10.517 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.882 -3.290 11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.540 -2.112 9.251 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.362 -3.483 9.969 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.971 -1.951 11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.357 -0.616 10.973 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.741 -0.724 10.633 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.966 -1.225 9.143 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.374 -3.622 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.453 -0.882 9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.896 -1.886 9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.242 -4.898 10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.776 -4.147 9.779 1.00 0.00 H new ATOM 259 N ILE A 16 -3.033 -5.203 10.550 1.00 0.00 N ATOM 260 CA ILE A 16 -2.303 -6.310 9.927 1.00 0.00 C ATOM 261 C ILE A 16 -3.211 -7.120 8.998 1.00 0.00 C ATOM 262 O ILE A 16 -4.335 -7.469 9.369 1.00 0.00 O ATOM 263 CB ILE A 16 -1.704 -7.263 10.989 1.00 0.00 C ATOM 264 CG1 ILE A 16 -0.939 -6.476 12.059 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.791 -8.291 10.333 1.00 0.00 C ATOM 266 CD1 ILE A 16 -1.314 -6.861 13.475 1.00 0.00 C ATOM 0 H ILE A 16 -3.773 -5.497 11.187 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.495 -5.863 9.348 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.527 -7.789 11.473 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.131 -6.633 11.919 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.126 -5.411 11.919 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.380 -8.952 11.096 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.362 -8.878 9.614 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.023 -7.779 9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.734 -6.265 14.180 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.377 -6.677 13.633 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.101 -7.918 13.633 1.00 0.00 H new ATOM 278 N ILE A 17 -2.715 -7.421 7.796 1.00 0.00 N ATOM 279 CA ILE A 17 -3.479 -8.196 6.817 1.00 0.00 C ATOM 280 C ILE A 17 -2.595 -9.238 6.123 1.00 0.00 C ATOM 281 O ILE A 17 -1.506 -8.918 5.642 1.00 0.00 O ATOM 282 CB ILE A 17 -4.123 -7.287 5.746 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.822 -6.093 6.403 1.00 0.00 C ATOM 284 CG2 ILE A 17 -5.110 -8.080 4.897 1.00 0.00 C ATOM 285 CD1 ILE A 17 -5.303 -5.054 5.413 1.00 0.00 C ATOM 0 H ILE A 17 -1.788 -7.140 7.478 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.269 -8.703 7.370 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.333 -6.909 5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.673 -6.454 6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.135 -5.622 7.106 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.554 -7.425 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.588 -8.897 4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.895 -8.486 5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.788 -4.238 5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.453 -4.665 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.015 -5.509 4.725 1.00 0.00 H new ATOM 297 N ALA A 18 -3.079 -10.482 6.076 1.00 0.00 N ATOM 298 CA ALA A 18 -2.340 -11.574 5.441 1.00 0.00 C ATOM 299 C ALA A 18 -2.745 -11.737 3.976 1.00 0.00 C ATOM 300 O ALA A 18 -3.920 -11.602 3.629 1.00 0.00 O ATOM 301 CB ALA A 18 -2.566 -12.874 6.202 1.00 0.00 C ATOM 0 H ALA A 18 -3.979 -10.757 6.470 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.279 -11.327 5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.011 -13.679 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.220 -12.759 7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.629 -13.115 6.202 1.00 0.00 H new ATOM 307 N PHE A 19 -1.762 -12.029 3.122 1.00 0.00 N ATOM 308 CA PHE A 19 -2.009 -12.212 1.690 1.00 0.00 C ATOM 309 C PHE A 19 -1.231 -13.411 1.145 1.00 0.00 C ATOM 310 O PHE A 19 -0.034 -13.555 1.399 1.00 0.00 O ATOM 311 CB PHE A 19 -1.617 -10.948 0.919 1.00 0.00 C ATOM 312 CG PHE A 19 -2.628 -9.840 1.021 1.00 0.00 C ATOM 313 CD1 PHE A 19 -3.689 -9.768 0.135 1.00 0.00 C ATOM 314 CD2 PHE A 19 -2.514 -8.869 2.005 1.00 0.00 C ATOM 315 CE1 PHE A 19 -4.620 -8.751 0.227 1.00 0.00 C ATOM 316 CE2 PHE A 19 -3.440 -7.850 2.102 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.495 -7.789 1.212 1.00 0.00 C ATOM 0 H PHE A 19 -0.787 -12.144 3.397 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.074 -12.402 1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.658 -10.588 1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.475 -11.203 -0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.790 -10.516 -0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.691 -8.911 2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.444 -8.708 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.340 -7.101 2.873 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.220 -6.992 1.286 1.00 0.00 H new ATOM 327 N SER A 20 -1.922 -14.264 0.385 1.00 0.00 N ATOM 328 CA SER A 20 -1.305 -15.450 -0.207 1.00 0.00 C ATOM 329 C SER A 20 -0.616 -15.104 -1.527 1.00 0.00 C ATOM 330 O SER A 20 -1.238 -14.546 -2.433 1.00 0.00 O ATOM 331 CB SER A 20 -2.358 -16.537 -0.441 1.00 0.00 C ATOM 332 OG SER A 20 -3.108 -16.787 0.735 1.00 0.00 O ATOM 0 H SER A 20 -2.912 -14.153 0.166 1.00 0.00 H new ATOM 0 HA SER A 20 -0.554 -15.823 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.028 -16.231 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.870 -17.456 -0.766 1.00 0.00 H new ATOM 0 HG SER A 20 -3.774 -17.484 0.556 1.00 0.00 H new ATOM 338 N ARG A 21 0.670 -15.441 -1.630 1.00 0.00 N ATOM 339 CA ARG A 21 1.441 -15.168 -2.841 1.00 0.00 C ATOM 340 C ARG A 21 1.345 -16.331 -3.829 1.00 0.00 C ATOM 341 O ARG A 21 1.104 -17.471 -3.430 1.00 0.00 O ATOM 342 CB ARG A 21 2.908 -14.903 -2.491 1.00 0.00 C ATOM 343 CG ARG A 21 3.128 -13.611 -1.718 1.00 0.00 C ATOM 344 CD ARG A 21 4.569 -13.137 -1.818 1.00 0.00 C ATOM 345 NE ARG A 21 5.499 -14.034 -1.125 1.00 0.00 N ATOM 346 CZ ARG A 21 6.820 -14.042 -1.329 1.00 0.00 C ATOM 347 NH1 ARG A 21 7.373 -13.206 -2.205 1.00 0.00 N ATOM 348 NH2 ARG A 21 7.593 -14.887 -0.657 1.00 0.00 N ATOM 0 H ARG A 21 1.198 -15.903 -0.890 1.00 0.00 H new ATOM 0 HA ARG A 21 1.019 -14.280 -3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.288 -15.738 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.492 -14.870 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.463 -12.838 -2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.867 -13.764 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.853 -13.063 -2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.650 -12.136 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 21 5.115 -14.691 -0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.788 -12.553 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.382 -13.218 -2.355 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.179 -15.532 0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.601 -14.891 -0.814 1.00 0.00 H new ATOM 362 N PRO A 22 1.531 -16.060 -5.139 1.00 0.00 N ATOM 363 CA PRO A 22 1.821 -14.718 -5.661 1.00 0.00 C ATOM 364 C PRO A 22 0.590 -13.812 -5.662 1.00 0.00 C ATOM 365 O PRO A 22 -0.421 -14.123 -6.296 1.00 0.00 O ATOM 366 CB PRO A 22 2.286 -14.972 -7.105 1.00 0.00 C ATOM 367 CG PRO A 22 2.398 -16.457 -7.245 1.00 0.00 C ATOM 368 CD PRO A 22 1.476 -17.049 -6.219 1.00 0.00 C ATOM 0 HA PRO A 22 2.560 -14.205 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.573 -14.565 -7.822 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.244 -14.488 -7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.117 -16.775 -8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.424 -16.786 -7.082 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.464 -17.173 -6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.813 -18.031 -5.888 1.00 0.00 H new ATOM 376 N VAL A 23 0.682 -12.685 -4.955 1.00 0.00 N ATOM 377 CA VAL A 23 -0.420 -11.732 -4.880 1.00 0.00 C ATOM 378 C VAL A 23 -0.171 -10.540 -5.805 1.00 0.00 C ATOM 379 O VAL A 23 0.914 -9.951 -5.796 1.00 0.00 O ATOM 380 CB VAL A 23 -0.647 -11.237 -3.432 1.00 0.00 C ATOM 381 CG1 VAL A 23 0.569 -10.480 -2.911 1.00 0.00 C ATOM 382 CG2 VAL A 23 -1.896 -10.371 -3.353 1.00 0.00 C ATOM 0 H VAL A 23 1.510 -12.412 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.320 -12.253 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.792 -12.111 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.379 -10.145 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.439 -11.137 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.760 -9.616 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.039 -10.032 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.782 -9.507 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.763 -10.953 -3.667 1.00 0.00 H new ATOM 392 N LYS A 24 -1.179 -10.190 -6.606 1.00 0.00 N ATOM 393 CA LYS A 24 -1.065 -9.069 -7.539 1.00 0.00 C ATOM 394 C LYS A 24 -1.232 -7.738 -6.811 1.00 0.00 C ATOM 395 O LYS A 24 -2.022 -7.632 -5.871 1.00 0.00 O ATOM 396 CB LYS A 24 -2.110 -9.179 -8.658 1.00 0.00 C ATOM 397 CG LYS A 24 -2.129 -10.525 -9.367 1.00 0.00 C ATOM 398 CD LYS A 24 -0.817 -10.804 -10.087 1.00 0.00 C ATOM 399 CE LYS A 24 -0.368 -12.244 -9.890 1.00 0.00 C ATOM 400 NZ LYS A 24 -0.681 -13.095 -11.072 1.00 0.00 N ATOM 0 H LYS A 24 -2.081 -10.666 -6.627 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.070 -9.108 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.097 -8.989 -8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.921 -8.397 -9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.320 -11.315 -8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.949 -10.546 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.935 -10.601 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.047 -10.128 -9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.705 -12.266 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.855 -12.658 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.358 -14.068 -10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.708 -13.096 -11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.196 -12.717 -11.910 1.00 0.00 H new ATOM 414 N TYR A 25 -0.490 -6.722 -7.259 1.00 0.00 N ATOM 415 CA TYR A 25 -0.563 -5.388 -6.658 1.00 0.00 C ATOM 416 C TYR A 25 -1.996 -4.855 -6.692 1.00 0.00 C ATOM 417 O TYR A 25 -2.457 -4.232 -5.734 1.00 0.00 O ATOM 418 CB TYR A 25 0.375 -4.423 -7.394 1.00 0.00 C ATOM 419 CG TYR A 25 0.432 -3.036 -6.785 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.881 -2.846 -5.484 1.00 0.00 C ATOM 421 CD2 TYR A 25 0.034 -1.920 -7.510 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.932 -1.585 -4.924 1.00 0.00 C ATOM 423 CE2 TYR A 25 0.083 -0.654 -6.955 1.00 0.00 C ATOM 424 CZ TYR A 25 0.532 -0.494 -5.662 1.00 0.00 C ATOM 425 OH TYR A 25 0.579 0.764 -5.103 1.00 0.00 O ATOM 0 H TYR A 25 0.168 -6.798 -8.035 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.248 -5.464 -5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.380 -4.846 -7.405 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.053 -4.340 -8.432 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.195 -3.699 -4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.319 -2.043 -8.523 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.284 -1.455 -3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.229 0.204 -7.532 1.00 0.00 H new ATOM 0 HH TYR A 25 0.973 1.392 -5.744 1.00 0.00 H new ATOM 435 N GLU A 26 -2.697 -5.112 -7.802 1.00 0.00 N ATOM 436 CA GLU A 26 -4.080 -4.666 -7.963 1.00 0.00 C ATOM 437 C GLU A 26 -4.994 -5.315 -6.922 1.00 0.00 C ATOM 438 O GLU A 26 -5.928 -4.681 -6.433 1.00 0.00 O ATOM 439 CB GLU A 26 -4.591 -4.983 -9.372 1.00 0.00 C ATOM 440 CG GLU A 26 -5.529 -3.920 -9.927 1.00 0.00 C ATOM 441 CD GLU A 26 -6.874 -4.478 -10.358 1.00 0.00 C ATOM 442 OE1 GLU A 26 -7.501 -5.210 -9.563 1.00 0.00 O ATOM 443 OE2 GLU A 26 -7.302 -4.176 -11.493 1.00 0.00 O ATOM 0 H GLU A 26 -2.327 -5.627 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.097 -3.586 -7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.739 -5.092 -10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.109 -5.942 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.687 -3.152 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.054 -3.434 -10.779 1.00 0.00 H new ATOM 450 N ASP A 27 -4.718 -6.576 -6.585 1.00 0.00 N ATOM 451 CA ASP A 27 -5.521 -7.295 -5.599 1.00 0.00 C ATOM 452 C ASP A 27 -5.336 -6.700 -4.204 1.00 0.00 C ATOM 453 O ASP A 27 -6.307 -6.508 -3.472 1.00 0.00 O ATOM 454 CB ASP A 27 -5.156 -8.783 -5.580 1.00 0.00 C ATOM 455 CG ASP A 27 -6.361 -9.665 -5.313 1.00 0.00 C ATOM 456 OD1 ASP A 27 -6.880 -9.636 -4.177 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.787 -10.382 -6.242 1.00 0.00 O ATOM 0 H ASP A 27 -3.948 -7.117 -6.979 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.567 -7.192 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.711 -9.058 -6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.401 -8.960 -4.814 1.00 0.00 H new ATOM 462 N VAL A 28 -4.085 -6.408 -3.844 1.00 0.00 N ATOM 463 CA VAL A 28 -3.780 -5.834 -2.534 1.00 0.00 C ATOM 464 C VAL A 28 -4.414 -4.450 -2.382 1.00 0.00 C ATOM 465 O VAL A 28 -5.045 -4.159 -1.366 1.00 0.00 O ATOM 466 CB VAL A 28 -2.257 -5.725 -2.289 1.00 0.00 C ATOM 467 CG1 VAL A 28 -1.971 -5.265 -0.864 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.564 -7.053 -2.573 1.00 0.00 C ATOM 0 H VAL A 28 -3.270 -6.559 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.201 -6.512 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.858 -4.979 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.894 -5.195 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.425 -4.288 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.390 -5.983 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.494 -6.951 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.970 -7.823 -1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.732 -7.336 -3.612 1.00 0.00 H new ATOM 478 N GLU A 29 -4.243 -3.605 -3.400 1.00 0.00 N ATOM 479 CA GLU A 29 -4.804 -2.256 -3.376 1.00 0.00 C ATOM 480 C GLU A 29 -6.332 -2.295 -3.413 1.00 0.00 C ATOM 481 O GLU A 29 -6.992 -1.465 -2.791 1.00 0.00 O ATOM 482 CB GLU A 29 -4.262 -1.423 -4.545 1.00 0.00 C ATOM 483 CG GLU A 29 -4.708 -1.914 -5.915 1.00 0.00 C ATOM 484 CD GLU A 29 -4.105 -1.108 -7.049 1.00 0.00 C ATOM 485 OE1 GLU A 29 -3.000 -1.466 -7.507 1.00 0.00 O ATOM 486 OE2 GLU A 29 -4.736 -0.122 -7.478 1.00 0.00 O ATOM 0 H GLU A 29 -3.722 -3.831 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.499 -1.784 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.582 -0.389 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.173 -1.427 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.428 -2.961 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.795 -1.865 -5.978 1.00 0.00 H new ATOM 493 N HIS A 30 -6.890 -3.267 -4.139 1.00 0.00 N ATOM 494 CA HIS A 30 -8.342 -3.411 -4.241 1.00 0.00 C ATOM 495 C HIS A 30 -8.974 -3.551 -2.855 1.00 0.00 C ATOM 496 O HIS A 30 -9.977 -2.904 -2.555 1.00 0.00 O ATOM 497 CB HIS A 30 -8.705 -4.619 -5.113 1.00 0.00 C ATOM 498 CG HIS A 30 -10.156 -4.685 -5.476 1.00 0.00 C ATOM 499 ND1 HIS A 30 -11.098 -5.340 -4.710 1.00 0.00 N ATOM 500 CD2 HIS A 30 -10.827 -4.174 -6.536 1.00 0.00 C ATOM 501 CE1 HIS A 30 -12.283 -5.233 -5.283 1.00 0.00 C ATOM 502 NE2 HIS A 30 -12.146 -4.528 -6.391 1.00 0.00 N ATOM 0 H HIS A 30 -6.359 -3.963 -4.663 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.737 -2.510 -4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.112 -4.587 -6.027 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.430 -5.532 -4.586 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.404 -3.596 -7.344 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.206 -5.651 -4.909 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.899 -4.285 -7.035 1.00 0.00 H new ATOM 511 N LYS A 31 -8.372 -4.392 -2.010 1.00 0.00 N ATOM 512 CA LYS A 31 -8.874 -4.609 -0.652 1.00 0.00 C ATOM 513 C LYS A 31 -8.689 -3.356 0.205 1.00 0.00 C ATOM 514 O LYS A 31 -9.625 -2.911 0.867 1.00 0.00 O ATOM 515 CB LYS A 31 -8.166 -5.800 0.011 1.00 0.00 C ATOM 516 CG LYS A 31 -8.183 -7.076 -0.821 1.00 0.00 C ATOM 517 CD LYS A 31 -9.455 -7.882 -0.597 1.00 0.00 C ATOM 518 CE LYS A 31 -9.432 -8.612 0.740 1.00 0.00 C ATOM 519 NZ LYS A 31 -10.028 -9.975 0.644 1.00 0.00 N ATOM 0 H LYS A 31 -7.539 -4.932 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.939 -4.830 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.131 -5.526 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.638 -6.000 0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.095 -6.822 -1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.317 -7.687 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.318 -7.217 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.575 -8.605 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.403 -8.690 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.979 -8.029 1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.992 -10.436 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.018 -9.900 0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.491 -10.541 -0.043 1.00 0.00 H new ATOM 533 N VAL A 32 -7.480 -2.794 0.188 1.00 0.00 N ATOM 534 CA VAL A 32 -7.180 -1.594 0.969 1.00 0.00 C ATOM 535 C VAL A 32 -8.053 -0.414 0.540 1.00 0.00 C ATOM 536 O VAL A 32 -8.528 0.353 1.381 1.00 0.00 O ATOM 537 CB VAL A 32 -5.692 -1.190 0.860 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.387 -0.013 1.777 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.786 -2.373 1.185 1.00 0.00 C ATOM 0 H VAL A 32 -6.694 -3.150 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.399 -1.844 2.007 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.497 -0.883 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.335 0.256 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.005 0.839 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.602 -0.290 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.743 -2.066 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.984 -2.715 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.982 -3.185 0.485 1.00 0.00 H new ATOM 549 N THR A 33 -8.260 -0.270 -0.771 1.00 0.00 N ATOM 550 CA THR A 33 -9.076 0.818 -1.305 1.00 0.00 C ATOM 551 C THR A 33 -10.542 0.661 -0.891 1.00 0.00 C ATOM 552 O THR A 33 -11.190 1.638 -0.535 1.00 0.00 O ATOM 553 CB THR A 33 -8.956 0.879 -2.833 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.615 1.120 -3.219 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.805 1.961 -3.466 1.00 0.00 C ATOM 0 H THR A 33 -7.874 -0.893 -1.480 1.00 0.00 H new ATOM 0 HA THR A 33 -8.704 1.754 -0.887 1.00 0.00 H new ATOM 0 HB THR A 33 -9.309 -0.091 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.114 0.278 -3.203 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.669 1.944 -4.547 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.854 1.785 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.504 2.934 -3.078 1.00 0.00 H new ATOM 563 N THR A 34 -11.064 -0.568 -0.938 1.00 0.00 N ATOM 564 CA THR A 34 -12.457 -0.816 -0.557 1.00 0.00 C ATOM 565 C THR A 34 -12.656 -0.713 0.957 1.00 0.00 C ATOM 566 O THR A 34 -13.637 -0.129 1.418 1.00 0.00 O ATOM 567 CB THR A 34 -12.929 -2.189 -1.056 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.659 -2.351 -2.438 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.410 -2.426 -0.851 1.00 0.00 C ATOM 0 H THR A 34 -10.550 -1.398 -1.233 1.00 0.00 H new ATOM 0 HA THR A 34 -13.060 -0.043 -1.032 1.00 0.00 H new ATOM 0 HB THR A 34 -12.372 -2.912 -0.460 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.747 -2.691 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.676 -3.415 -1.226 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.644 -2.366 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.978 -1.669 -1.391 1.00 0.00 H new ATOM 577 N VAL A 35 -11.733 -1.292 1.726 1.00 0.00 N ATOM 578 CA VAL A 35 -11.830 -1.269 3.187 1.00 0.00 C ATOM 579 C VAL A 35 -11.680 0.149 3.744 1.00 0.00 C ATOM 580 O VAL A 35 -12.424 0.546 4.642 1.00 0.00 O ATOM 581 CB VAL A 35 -10.775 -2.184 3.850 1.00 0.00 C ATOM 582 CG1 VAL A 35 -10.918 -2.164 5.368 1.00 0.00 C ATOM 583 CG2 VAL A 35 -10.884 -3.608 3.322 1.00 0.00 C ATOM 0 H VAL A 35 -10.914 -1.780 1.365 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.825 -1.643 3.428 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.788 -1.799 3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.165 -2.815 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.779 -1.146 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.912 -2.516 5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.132 -4.233 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.877 -4.002 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.722 -3.610 2.244 1.00 0.00 H new ATOM 593 N PHE A 36 -10.709 0.903 3.227 1.00 0.00 N ATOM 594 CA PHE A 36 -10.467 2.268 3.703 1.00 0.00 C ATOM 595 C PHE A 36 -10.999 3.337 2.739 1.00 0.00 C ATOM 596 O PHE A 36 -10.702 4.522 2.907 1.00 0.00 O ATOM 597 CB PHE A 36 -8.969 2.481 3.943 1.00 0.00 C ATOM 598 CG PHE A 36 -8.344 1.461 4.854 1.00 0.00 C ATOM 599 CD1 PHE A 36 -8.984 1.058 6.018 1.00 0.00 C ATOM 600 CD2 PHE A 36 -7.114 0.905 4.546 1.00 0.00 C ATOM 601 CE1 PHE A 36 -8.405 0.122 6.853 1.00 0.00 C ATOM 602 CE2 PHE A 36 -6.533 -0.032 5.377 1.00 0.00 C ATOM 603 CZ PHE A 36 -7.179 -0.424 6.532 1.00 0.00 C ATOM 0 H PHE A 36 -10.081 0.596 2.484 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.015 2.380 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.452 2.462 2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.817 3.473 4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.945 1.481 6.273 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.603 1.208 3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.912 -0.182 7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.574 -0.458 5.123 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.726 -1.157 7.183 1.00 0.00 H new ATOM 613 N GLY A 37 -11.789 2.929 1.739 1.00 0.00 N ATOM 614 CA GLY A 37 -12.341 3.885 0.789 1.00 0.00 C ATOM 615 C GLY A 37 -11.294 4.459 -0.156 1.00 0.00 C ATOM 616 O GLY A 37 -10.096 4.245 0.027 1.00 0.00 O ATOM 0 H GLY A 37 -12.054 1.958 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.122 3.398 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.814 4.700 1.336 1.00 0.00 H new ATOM 620 N GLN A 38 -11.750 5.199 -1.168 1.00 0.00 N ATOM 621 CA GLN A 38 -10.845 5.816 -2.142 1.00 0.00 C ATOM 622 C GLN A 38 -11.004 7.336 -2.143 1.00 0.00 C ATOM 623 O GLN A 38 -12.026 7.859 -1.696 1.00 0.00 O ATOM 624 CB GLN A 38 -11.083 5.259 -3.555 1.00 0.00 C ATOM 625 CG GLN A 38 -12.537 4.939 -3.877 1.00 0.00 C ATOM 626 CD GLN A 38 -12.763 4.723 -5.363 1.00 0.00 C ATOM 627 OE1 GLN A 38 -12.895 3.589 -5.825 1.00 0.00 O ATOM 628 NE2 GLN A 38 -12.805 5.813 -6.123 1.00 0.00 N ATOM 0 H GLN A 38 -12.739 5.386 -1.335 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.825 5.570 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.715 5.982 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.490 4.353 -3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.839 4.045 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.172 5.754 -3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.691 6.734 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.951 5.728 -7.129 1.00 0.00 H new ATOM 637 N PRO A 39 -9.986 8.072 -2.639 1.00 0.00 N ATOM 638 CA PRO A 39 -8.751 7.497 -3.181 1.00 0.00 C ATOM 639 C PRO A 39 -7.660 7.288 -2.125 1.00 0.00 C ATOM 640 O PRO A 39 -7.619 7.988 -1.112 1.00 0.00 O ATOM 641 CB PRO A 39 -8.323 8.561 -4.188 1.00 0.00 C ATOM 642 CG PRO A 39 -8.772 9.853 -3.587 1.00 0.00 C ATOM 643 CD PRO A 39 -9.971 9.545 -2.718 1.00 0.00 C ATOM 0 HA PRO A 39 -8.908 6.502 -3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.244 8.550 -4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.786 8.395 -5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.973 10.302 -2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.034 10.570 -4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.875 9.997 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.891 9.931 -3.157 1.00 0.00 H new ATOM 651 N LEU A 40 -6.774 6.322 -2.383 1.00 0.00 N ATOM 652 CA LEU A 40 -5.673 6.014 -1.469 1.00 0.00 C ATOM 653 C LEU A 40 -4.376 5.759 -2.240 1.00 0.00 C ATOM 654 O LEU A 40 -4.368 5.009 -3.218 1.00 0.00 O ATOM 655 CB LEU A 40 -6.009 4.784 -0.619 1.00 0.00 C ATOM 656 CG LEU A 40 -6.992 5.025 0.531 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.459 3.701 1.112 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.352 5.887 1.612 1.00 0.00 C ATOM 0 H LEU A 40 -6.799 5.739 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.532 6.876 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.422 4.015 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.083 4.386 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.859 5.557 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.157 3.888 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.955 3.118 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.600 3.146 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.066 6.047 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.468 5.383 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.063 6.848 1.187 1.00 0.00 H new ATOM 670 N ASP A 41 -3.282 6.374 -1.788 1.00 0.00 N ATOM 671 CA ASP A 41 -1.980 6.203 -2.431 1.00 0.00 C ATOM 672 C ASP A 41 -1.072 5.306 -1.589 1.00 0.00 C ATOM 673 O ASP A 41 -0.984 5.469 -0.370 1.00 0.00 O ATOM 674 CB ASP A 41 -1.309 7.564 -2.659 1.00 0.00 C ATOM 675 CG ASP A 41 -0.571 7.640 -3.985 1.00 0.00 C ATOM 676 OD1 ASP A 41 0.164 6.684 -4.316 1.00 0.00 O ATOM 677 OD2 ASP A 41 -0.728 8.656 -4.693 1.00 0.00 O ATOM 0 H ASP A 41 -3.273 6.995 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.141 5.724 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.066 8.348 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.609 7.760 -1.847 1.00 0.00 H new ATOM 682 N LEU A 42 -0.400 4.358 -2.245 1.00 0.00 N ATOM 683 CA LEU A 42 0.501 3.430 -1.560 1.00 0.00 C ATOM 684 C LEU A 42 1.945 3.938 -1.591 1.00 0.00 C ATOM 685 O LEU A 42 2.627 3.834 -2.613 1.00 0.00 O ATOM 686 CB LEU A 42 0.414 2.039 -2.202 1.00 0.00 C ATOM 687 CG LEU A 42 -0.631 1.102 -1.587 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.352 0.311 -2.671 1.00 0.00 C ATOM 689 CD2 LEU A 42 0.020 0.160 -0.586 1.00 0.00 C ATOM 0 H LEU A 42 -0.463 4.213 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 42 0.190 3.362 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.192 2.159 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.392 1.562 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.367 1.711 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.089 -0.348 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.854 0.999 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.629 -0.286 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.737 -0.498 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.779 -0.439 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.486 0.741 0.210 1.00 0.00 H new ATOM 701 N HIS A 43 2.402 4.490 -0.463 1.00 0.00 N ATOM 702 CA HIS A 43 3.763 5.022 -0.357 1.00 0.00 C ATOM 703 C HIS A 43 4.684 4.046 0.381 1.00 0.00 C ATOM 704 O HIS A 43 4.424 3.682 1.531 1.00 0.00 O ATOM 705 CB HIS A 43 3.745 6.372 0.368 1.00 0.00 C ATOM 706 CG HIS A 43 4.779 7.346 -0.121 1.00 0.00 C ATOM 707 ND1 HIS A 43 5.885 6.974 -0.860 1.00 0.00 N ATOM 708 CD2 HIS A 43 4.867 8.689 0.030 1.00 0.00 C ATOM 709 CE1 HIS A 43 6.606 8.043 -1.139 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.010 9.098 -0.612 1.00 0.00 N ATOM 0 H HIS A 43 1.849 4.580 0.389 1.00 0.00 H new ATOM 0 HA HIS A 43 4.151 5.159 -1.366 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.758 6.820 0.255 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.897 6.202 1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.168 9.321 0.557 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.527 8.054 -1.703 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.344 10.060 -0.672 1.00 0.00 H new ATOM 719 N TYR A 44 5.765 3.636 -0.286 1.00 0.00 N ATOM 720 CA TYR A 44 6.735 2.713 0.297 1.00 0.00 C ATOM 721 C TYR A 44 7.999 3.459 0.732 1.00 0.00 C ATOM 722 O TYR A 44 8.569 4.235 -0.036 1.00 0.00 O ATOM 723 CB TYR A 44 7.084 1.614 -0.717 1.00 0.00 C ATOM 724 CG TYR A 44 8.286 0.774 -0.339 1.00 0.00 C ATOM 725 CD1 TYR A 44 9.578 1.227 -0.578 1.00 0.00 C ATOM 726 CD2 TYR A 44 8.129 -0.474 0.249 1.00 0.00 C ATOM 727 CE1 TYR A 44 10.678 0.464 -0.240 1.00 0.00 C ATOM 728 CE2 TYR A 44 9.224 -1.245 0.592 1.00 0.00 C ATOM 729 CZ TYR A 44 10.497 -0.773 0.345 1.00 0.00 C ATOM 730 OH TYR A 44 11.590 -1.537 0.683 1.00 0.00 O ATOM 0 H TYR A 44 5.989 3.932 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 44 6.292 2.253 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.221 0.959 -0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.269 2.076 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.724 2.194 -1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.135 -0.849 0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.675 0.833 -0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.084 -2.212 1.051 1.00 0.00 H new ATOM 0 HH TYR A 44 11.289 -2.378 1.086 1.00 0.00 H new ATOM 740 N MET A 45 8.435 3.218 1.969 1.00 0.00 N ATOM 741 CA MET A 45 9.633 3.866 2.499 1.00 0.00 C ATOM 742 C MET A 45 10.707 2.829 2.823 1.00 0.00 C ATOM 743 O MET A 45 10.464 1.892 3.585 1.00 0.00 O ATOM 744 CB MET A 45 9.290 4.683 3.748 1.00 0.00 C ATOM 745 CG MET A 45 8.140 5.659 3.541 1.00 0.00 C ATOM 746 SD MET A 45 8.212 7.069 4.662 1.00 0.00 S ATOM 747 CE MET A 45 7.245 8.274 3.757 1.00 0.00 C ATOM 0 H MET A 45 7.977 2.580 2.620 1.00 0.00 H new ATOM 0 HA MET A 45 10.023 4.541 1.737 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.035 4.001 4.559 1.00 0.00 H new ATOM 0 HB3 MET A 45 10.174 5.238 4.063 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.154 6.018 2.512 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.195 5.135 3.683 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.198 9.203 4.325 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.711 8.463 2.790 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.236 7.891 3.605 1.00 0.00 H new ATOM 757 N ASN A 46 11.893 3.003 2.236 1.00 0.00 N ATOM 758 CA ASN A 46 13.005 2.079 2.457 1.00 0.00 C ATOM 759 C ASN A 46 13.784 2.443 3.720 1.00 0.00 C ATOM 760 O ASN A 46 13.853 1.656 4.665 1.00 0.00 O ATOM 761 CB ASN A 46 13.943 2.072 1.244 1.00 0.00 C ATOM 762 CG ASN A 46 14.386 0.672 0.862 1.00 0.00 C ATOM 763 OD1 ASN A 46 14.705 -0.147 1.724 1.00 0.00 O ATOM 764 ND2 ASN A 46 14.409 0.387 -0.434 1.00 0.00 N ATOM 0 H ASN A 46 12.107 3.775 1.605 1.00 0.00 H new ATOM 0 HA ASN A 46 12.588 1.081 2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.438 2.534 0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.820 2.680 1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.699 -0.539 -0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.137 1.094 -1.117 1.00 0.00 H new ATOM 771 N ASN A 47 14.369 3.643 3.726 1.00 0.00 N ATOM 772 CA ASN A 47 15.144 4.121 4.871 1.00 0.00 C ATOM 773 C ASN A 47 15.362 5.630 4.783 1.00 0.00 C ATOM 774 O ASN A 47 14.877 6.384 5.627 1.00 0.00 O ATOM 775 CB ASN A 47 16.493 3.395 4.951 1.00 0.00 C ATOM 776 CG ASN A 47 16.985 3.240 6.379 1.00 0.00 C ATOM 777 OD1 ASN A 47 16.201 2.996 7.293 1.00 0.00 O ATOM 778 ND2 ASN A 47 18.293 3.380 6.579 1.00 0.00 N ATOM 0 H ASN A 47 14.320 4.302 2.949 1.00 0.00 H new ATOM 0 HA ASN A 47 14.578 3.905 5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.400 2.410 4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.234 3.947 4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.678 3.285 7.519 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.910 3.582 5.793 1.00 0.00 H new ATOM 785 N GLU A 48 16.090 6.059 3.752 1.00 0.00 N ATOM 786 CA GLU A 48 16.371 7.478 3.541 1.00 0.00 C ATOM 787 C GLU A 48 15.677 8.008 2.278 1.00 0.00 C ATOM 788 O GLU A 48 15.600 9.222 2.073 1.00 0.00 O ATOM 789 CB GLU A 48 17.882 7.713 3.440 1.00 0.00 C ATOM 790 CG GLU A 48 18.663 7.218 4.649 1.00 0.00 C ATOM 791 CD GLU A 48 18.955 8.320 5.650 1.00 0.00 C ATOM 792 OE1 GLU A 48 18.004 8.792 6.309 1.00 0.00 O ATOM 793 OE2 GLU A 48 20.134 8.710 5.776 1.00 0.00 O ATOM 0 H GLU A 48 16.496 5.442 3.049 1.00 0.00 H new ATOM 0 HA GLU A 48 15.977 8.022 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.259 7.215 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.067 8.780 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.099 6.426 5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.603 6.779 4.314 1.00 0.00 H new ATOM 800 N LEU A 49 15.175 7.099 1.427 1.00 0.00 N ATOM 801 CA LEU A 49 14.500 7.495 0.193 1.00 0.00 C ATOM 802 C LEU A 49 13.058 6.984 0.159 1.00 0.00 C ATOM 803 O LEU A 49 12.769 5.882 0.633 1.00 0.00 O ATOM 804 CB LEU A 49 15.268 6.963 -1.021 1.00 0.00 C ATOM 805 CG LEU A 49 15.197 7.843 -2.273 1.00 0.00 C ATOM 806 CD1 LEU A 49 16.286 8.906 -2.244 1.00 0.00 C ATOM 807 CD2 LEU A 49 15.312 6.989 -3.528 1.00 0.00 C ATOM 0 H LEU A 49 15.226 6.091 1.575 1.00 0.00 H new ATOM 0 HA LEU A 49 14.476 8.584 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.314 6.838 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.884 5.974 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 49 14.231 8.347 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 49 16.219 9.521 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.157 9.535 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.263 8.425 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.260 7.628 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.264 6.458 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.495 6.268 -3.554 1.00 0.00 H new ATOM 819 N SER A 50 12.160 7.793 -0.411 1.00 0.00 N ATOM 820 CA SER A 50 10.747 7.428 -0.515 1.00 0.00 C ATOM 821 C SER A 50 10.420 6.926 -1.919 1.00 0.00 C ATOM 822 O SER A 50 10.667 7.619 -2.908 1.00 0.00 O ATOM 823 CB SER A 50 9.853 8.624 -0.170 1.00 0.00 C ATOM 824 OG SER A 50 10.409 9.399 0.878 1.00 0.00 O ATOM 0 H SER A 50 12.388 8.705 -0.807 1.00 0.00 H new ATOM 0 HA SER A 50 10.555 6.626 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.719 9.247 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.865 8.269 0.122 1.00 0.00 H new ATOM 0 HG SER A 50 9.818 10.155 1.075 1.00 0.00 H new ATOM 830 N ILE A 51 9.863 5.719 -1.997 1.00 0.00 N ATOM 831 CA ILE A 51 9.499 5.116 -3.280 1.00 0.00 C ATOM 832 C ILE A 51 7.994 4.856 -3.356 1.00 0.00 C ATOM 833 O ILE A 51 7.399 4.318 -2.423 1.00 0.00 O ATOM 834 CB ILE A 51 10.255 3.787 -3.512 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.754 3.960 -3.237 1.00 0.00 C ATOM 836 CG2 ILE A 51 10.028 3.287 -4.933 1.00 0.00 C ATOM 837 CD1 ILE A 51 12.512 2.650 -3.164 1.00 0.00 C ATOM 0 H ILE A 51 9.653 5.137 -1.186 1.00 0.00 H new ATOM 0 HA ILE A 51 9.782 5.825 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 51 9.864 3.045 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.190 4.579 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.883 4.498 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.567 2.351 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.963 3.122 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.392 4.030 -5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.565 2.850 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.103 2.037 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.414 2.120 -4.111 1.00 0.00 H new ATOM 849 N LEU A 52 7.382 5.234 -4.477 1.00 0.00 N ATOM 850 CA LEU A 52 5.950 5.032 -4.669 1.00 0.00 C ATOM 851 C LEU A 52 5.688 3.848 -5.597 1.00 0.00 C ATOM 852 O LEU A 52 6.323 3.717 -6.643 1.00 0.00 O ATOM 853 CB LEU A 52 5.300 6.295 -5.237 1.00 0.00 C ATOM 854 CG LEU A 52 3.772 6.317 -5.172 1.00 0.00 C ATOM 855 CD1 LEU A 52 3.298 6.612 -3.757 1.00 0.00 C ATOM 856 CD2 LEU A 52 3.206 7.335 -6.150 1.00 0.00 C ATOM 0 H LEU A 52 7.855 5.680 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 52 5.508 4.815 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.685 7.159 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.607 6.408 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 52 3.406 5.331 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.208 6.623 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.668 5.841 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.678 7.584 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.118 7.334 -6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.583 8.327 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.511 7.075 -7.163 1.00 0.00 H new ATOM 868 N LEU A 53 4.746 2.995 -5.203 1.00 0.00 N ATOM 869 CA LEU A 53 4.390 1.817 -5.992 1.00 0.00 C ATOM 870 C LEU A 53 3.364 2.175 -7.067 1.00 0.00 C ATOM 871 O LEU A 53 2.160 2.011 -6.872 1.00 0.00 O ATOM 872 CB LEU A 53 3.837 0.714 -5.079 1.00 0.00 C ATOM 873 CG LEU A 53 4.718 0.360 -3.874 1.00 0.00 C ATOM 874 CD1 LEU A 53 4.345 1.210 -2.667 1.00 0.00 C ATOM 875 CD2 LEU A 53 4.599 -1.120 -3.543 1.00 0.00 C ATOM 0 H LEU A 53 4.213 3.097 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 53 5.290 1.450 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.858 1.024 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.685 -0.186 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 53 5.755 0.573 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.982 0.943 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.484 2.264 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.302 1.032 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.231 -1.353 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.562 -1.357 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.919 -1.712 -4.401 1.00 0.00 H new ATOM 887 N LYS A 54 3.850 2.668 -8.204 1.00 0.00 N ATOM 888 CA LYS A 54 2.975 3.049 -9.312 1.00 0.00 C ATOM 889 C LYS A 54 2.747 1.876 -10.265 1.00 0.00 C ATOM 890 O LYS A 54 1.659 1.727 -10.825 1.00 0.00 O ATOM 891 CB LYS A 54 3.561 4.239 -10.075 1.00 0.00 C ATOM 892 CG LYS A 54 3.407 5.566 -9.345 1.00 0.00 C ATOM 893 CD LYS A 54 4.038 6.708 -10.126 1.00 0.00 C ATOM 894 CE LYS A 54 3.887 8.040 -9.402 1.00 0.00 C ATOM 895 NZ LYS A 54 2.460 8.457 -9.274 1.00 0.00 N ATOM 0 H LYS A 54 4.844 2.813 -8.383 1.00 0.00 H new ATOM 0 HA LYS A 54 2.012 3.339 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.620 4.056 -10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.075 4.311 -11.048 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.349 5.774 -9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.870 5.497 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.096 6.499 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.575 6.775 -11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.331 7.964 -8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.441 8.809 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.414 9.438 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.995 8.393 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.975 7.832 -8.600 1.00 0.00 H new ATOM 909 N ASN A 55 3.776 1.048 -10.445 1.00 0.00 N ATOM 910 CA ASN A 55 3.688 -0.112 -11.330 1.00 0.00 C ATOM 911 C ASN A 55 3.960 -1.405 -10.563 1.00 0.00 C ATOM 912 O ASN A 55 4.567 -1.384 -9.490 1.00 0.00 O ATOM 913 CB ASN A 55 4.681 0.027 -12.489 1.00 0.00 C ATOM 914 CG ASN A 55 4.046 0.625 -13.733 1.00 0.00 C ATOM 915 OD1 ASN A 55 3.972 -0.023 -14.776 1.00 0.00 O ATOM 916 ND2 ASN A 55 3.586 1.869 -13.630 1.00 0.00 N ATOM 0 H ASN A 55 4.681 1.160 -9.989 1.00 0.00 H new ATOM 0 HA ASN A 55 2.675 -0.155 -11.731 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.516 0.654 -12.174 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.092 -0.953 -12.730 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.152 2.321 -14.435 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.667 2.371 -12.746 1.00 0.00 H new ATOM 923 N GLN A 56 3.511 -2.533 -11.122 1.00 0.00 N ATOM 924 CA GLN A 56 3.713 -3.839 -10.490 1.00 0.00 C ATOM 925 C GLN A 56 5.201 -4.140 -10.321 1.00 0.00 C ATOM 926 O GLN A 56 5.602 -4.782 -9.349 1.00 0.00 O ATOM 927 CB GLN A 56 3.051 -4.952 -11.310 1.00 0.00 C ATOM 928 CG GLN A 56 2.344 -5.997 -10.460 1.00 0.00 C ATOM 929 CD GLN A 56 3.228 -7.191 -10.138 1.00 0.00 C ATOM 930 OE1 GLN A 56 3.884 -7.747 -11.018 1.00 0.00 O ATOM 931 NE2 GLN A 56 3.246 -7.594 -8.871 1.00 0.00 N ATOM 0 H GLN A 56 3.007 -2.568 -12.008 1.00 0.00 H new ATOM 0 HA GLN A 56 3.248 -3.803 -9.505 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.331 -4.507 -11.997 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.810 -5.444 -11.919 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.010 -5.537 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.452 -6.342 -10.983 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.687 -7.105 -8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.819 -8.392 -8.598 1.00 0.00 H new ATOM 940 N ASP A 57 6.017 -3.672 -11.270 1.00 0.00 N ATOM 941 CA ASP A 57 7.462 -3.892 -11.218 1.00 0.00 C ATOM 942 C ASP A 57 8.057 -3.337 -9.923 1.00 0.00 C ATOM 943 O ASP A 57 8.926 -3.962 -9.313 1.00 0.00 O ATOM 944 CB ASP A 57 8.147 -3.243 -12.424 1.00 0.00 C ATOM 945 CG ASP A 57 9.159 -4.164 -13.076 1.00 0.00 C ATOM 946 OD1 ASP A 57 10.216 -4.420 -12.458 1.00 0.00 O ATOM 947 OD2 ASP A 57 8.895 -4.629 -14.205 1.00 0.00 O ATOM 0 H ASP A 57 5.701 -3.140 -12.081 1.00 0.00 H new ATOM 0 HA ASP A 57 7.636 -4.968 -11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.393 -2.958 -13.158 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.645 -2.327 -12.107 1.00 0.00 H new ATOM 952 N ASP A 58 7.579 -2.160 -9.506 1.00 0.00 N ATOM 953 CA ASP A 58 8.059 -1.522 -8.280 1.00 0.00 C ATOM 954 C ASP A 58 7.792 -2.410 -7.067 1.00 0.00 C ATOM 955 O ASP A 58 8.650 -2.559 -6.195 1.00 0.00 O ATOM 956 CB ASP A 58 7.382 -0.161 -8.091 1.00 0.00 C ATOM 957 CG ASP A 58 8.135 0.967 -8.774 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.316 0.900 -10.009 1.00 0.00 O ATOM 959 OD2 ASP A 58 8.538 1.919 -8.075 1.00 0.00 O ATOM 0 H ASP A 58 6.860 -1.631 -10.001 1.00 0.00 H new ATOM 0 HA ASP A 58 9.135 -1.375 -8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.367 -0.206 -8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.300 0.055 -7.026 1.00 0.00 H new ATOM 964 N LEU A 59 6.599 -3.003 -7.022 1.00 0.00 N ATOM 965 CA LEU A 59 6.221 -3.884 -5.920 1.00 0.00 C ATOM 966 C LEU A 59 7.039 -5.175 -5.947 1.00 0.00 C ATOM 967 O LEU A 59 7.459 -5.672 -4.901 1.00 0.00 O ATOM 968 CB LEU A 59 4.728 -4.212 -5.987 1.00 0.00 C ATOM 969 CG LEU A 59 4.192 -5.036 -4.812 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.587 -4.126 -3.754 1.00 0.00 C ATOM 971 CD2 LEU A 59 3.173 -6.058 -5.295 1.00 0.00 C ATOM 0 H LEU A 59 5.879 -2.889 -7.736 1.00 0.00 H new ATOM 0 HA LEU A 59 6.429 -3.362 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.168 -3.278 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.532 -4.755 -6.911 1.00 0.00 H new ATOM 0 HG LEU A 59 5.025 -5.575 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.211 -4.729 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.349 -3.439 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.766 -3.557 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.804 -6.633 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.340 -5.543 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.644 -6.731 -6.012 1.00 0.00 H new ATOM 983 N ASP A 60 7.265 -5.712 -7.149 1.00 0.00 N ATOM 984 CA ASP A 60 8.036 -6.945 -7.305 1.00 0.00 C ATOM 985 C ASP A 60 9.462 -6.770 -6.788 1.00 0.00 C ATOM 986 O ASP A 60 9.989 -7.638 -6.092 1.00 0.00 O ATOM 987 CB ASP A 60 8.065 -7.383 -8.772 1.00 0.00 C ATOM 988 CG ASP A 60 7.997 -8.889 -8.926 1.00 0.00 C ATOM 989 OD1 ASP A 60 6.957 -9.479 -8.562 1.00 0.00 O ATOM 990 OD2 ASP A 60 8.985 -9.482 -9.410 1.00 0.00 O ATOM 0 H ASP A 60 6.926 -5.313 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 60 7.546 -7.719 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.227 -6.928 -9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.977 -7.013 -9.241 1.00 0.00 H new ATOM 995 N LYS A 61 10.077 -5.634 -7.121 1.00 0.00 N ATOM 996 CA LYS A 61 11.437 -5.344 -6.675 1.00 0.00 C ATOM 997 C LYS A 61 11.480 -5.133 -5.160 1.00 0.00 C ATOM 998 O LYS A 61 12.448 -5.516 -4.500 1.00 0.00 O ATOM 999 CB LYS A 61 11.985 -4.108 -7.392 1.00 0.00 C ATOM 1000 CG LYS A 61 13.421 -4.268 -7.866 1.00 0.00 C ATOM 1001 CD LYS A 61 13.592 -3.811 -9.307 1.00 0.00 C ATOM 1002 CE LYS A 61 13.353 -4.949 -10.290 1.00 0.00 C ATOM 1003 NZ LYS A 61 14.478 -5.930 -10.302 1.00 0.00 N ATOM 0 H LYS A 61 9.656 -4.904 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 61 12.063 -6.201 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.351 -3.884 -8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.926 -3.252 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.084 -3.692 -7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.719 -5.313 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.897 -2.998 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.598 -3.415 -9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.428 -5.463 -10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.219 -4.540 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.383 -6.557 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.383 -5.420 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.453 -6.498 -9.431 1.00 0.00 H new ATOM 1017 N ALA A 62 10.423 -4.523 -4.615 1.00 0.00 N ATOM 1018 CA ALA A 62 10.336 -4.259 -3.179 1.00 0.00 C ATOM 1019 C ALA A 62 10.330 -5.556 -2.369 1.00 0.00 C ATOM 1020 O ALA A 62 10.963 -5.637 -1.315 1.00 0.00 O ATOM 1021 CB ALA A 62 9.090 -3.440 -2.865 1.00 0.00 C ATOM 0 H ALA A 62 9.615 -4.203 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 62 11.220 -3.689 -2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.039 -3.252 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.135 -2.491 -3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.204 -3.991 -3.179 1.00 0.00 H new ATOM 1027 N ILE A 63 9.616 -6.570 -2.864 1.00 0.00 N ATOM 1028 CA ILE A 63 9.541 -7.860 -2.179 1.00 0.00 C ATOM 1029 C ILE A 63 10.912 -8.532 -2.125 1.00 0.00 C ATOM 1030 O ILE A 63 11.285 -9.112 -1.104 1.00 0.00 O ATOM 1031 CB ILE A 63 8.537 -8.822 -2.854 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.161 -8.160 -2.986 1.00 0.00 C ATOM 1033 CG2 ILE A 63 8.431 -10.120 -2.059 1.00 0.00 C ATOM 1034 CD1 ILE A 63 6.359 -8.653 -4.172 1.00 0.00 C ATOM 0 H ILE A 63 9.084 -6.522 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 63 9.193 -7.650 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 63 8.902 -9.056 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.592 -8.340 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.293 -7.081 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.720 -10.788 -2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.409 -10.600 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.088 -9.900 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.398 -8.140 -4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.907 -8.448 -5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.194 -9.726 -4.079 1.00 0.00 H new ATOM 1046 N ASP A 64 11.655 -8.450 -3.229 1.00 0.00 N ATOM 1047 CA ASP A 64 12.987 -9.050 -3.305 1.00 0.00 C ATOM 1048 C ASP A 64 13.881 -8.548 -2.169 1.00 0.00 C ATOM 1049 O ASP A 64 14.642 -9.320 -1.583 1.00 0.00 O ATOM 1050 CB ASP A 64 13.637 -8.743 -4.657 1.00 0.00 C ATOM 1051 CG ASP A 64 14.911 -9.537 -4.883 1.00 0.00 C ATOM 1052 OD1 ASP A 64 14.850 -10.785 -4.849 1.00 0.00 O ATOM 1053 OD2 ASP A 64 15.970 -8.911 -5.093 1.00 0.00 O ATOM 0 H ASP A 64 11.358 -7.975 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 64 12.874 -10.129 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.929 -8.964 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.861 -7.678 -4.715 1.00 0.00 H new ATOM 1058 N ILE A 65 13.778 -7.254 -1.862 1.00 0.00 N ATOM 1059 CA ILE A 65 14.573 -6.653 -0.791 1.00 0.00 C ATOM 1060 C ILE A 65 14.140 -7.190 0.574 1.00 0.00 C ATOM 1061 O ILE A 65 14.979 -7.492 1.426 1.00 0.00 O ATOM 1062 CB ILE A 65 14.465 -5.109 -0.791 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.751 -4.546 -2.189 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.422 -4.509 0.232 1.00 0.00 C ATOM 1065 CD1 ILE A 65 14.541 -3.050 -2.300 1.00 0.00 C ATOM 0 H ILE A 65 13.153 -6.604 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 65 15.612 -6.926 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 65 13.447 -4.836 -0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.780 -4.780 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.108 -5.048 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.334 -3.423 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.173 -4.882 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.445 -4.793 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 65 14.763 -2.726 -3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.505 -2.809 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 65 15.204 -2.537 -1.603 1.00 0.00 H new ATOM 1077 N LEU A 66 12.827 -7.315 0.774 1.00 0.00 N ATOM 1078 CA LEU A 66 12.285 -7.826 2.031 1.00 0.00 C ATOM 1079 C LEU A 66 12.677 -9.290 2.234 1.00 0.00 C ATOM 1080 O LEU A 66 13.109 -9.676 3.321 1.00 0.00 O ATOM 1081 CB LEU A 66 10.759 -7.684 2.060 1.00 0.00 C ATOM 1082 CG LEU A 66 10.143 -7.577 3.460 1.00 0.00 C ATOM 1083 CD1 LEU A 66 10.077 -6.122 3.903 1.00 0.00 C ATOM 1084 CD2 LEU A 66 8.757 -8.213 3.489 1.00 0.00 C ATOM 0 H LEU A 66 12.120 -7.069 0.081 1.00 0.00 H new ATOM 0 HA LEU A 66 12.707 -7.235 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.481 -6.798 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.320 -8.542 1.551 1.00 0.00 H new ATOM 0 HG LEU A 66 10.780 -8.120 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.637 -6.064 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.083 -5.703 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.464 -5.556 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.338 -8.126 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.107 -7.702 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.834 -9.266 3.218 1.00 0.00 H new ATOM 1096 N ASP A 67 12.527 -10.098 1.180 1.00 0.00 N ATOM 1097 CA ASP A 67 12.870 -11.521 1.242 1.00 0.00 C ATOM 1098 C ASP A 67 14.334 -11.718 1.641 1.00 0.00 C ATOM 1099 O ASP A 67 14.655 -12.618 2.416 1.00 0.00 O ATOM 1100 CB ASP A 67 12.606 -12.202 -0.107 1.00 0.00 C ATOM 1101 CG ASP A 67 12.004 -13.589 0.050 1.00 0.00 C ATOM 1102 OD1 ASP A 67 12.751 -14.522 0.411 1.00 0.00 O ATOM 1103 OD2 ASP A 67 10.787 -13.740 -0.193 1.00 0.00 O ATOM 0 H ASP A 67 12.171 -9.791 0.275 1.00 0.00 H new ATOM 0 HA ASP A 67 12.237 -11.979 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.932 -11.582 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.541 -12.276 -0.662 1.00 0.00 H new ATOM 1108 N ARG A 68 15.213 -10.864 1.111 1.00 0.00 N ATOM 1109 CA ARG A 68 16.642 -10.937 1.416 1.00 0.00 C ATOM 1110 C ARG A 68 16.902 -10.713 2.907 1.00 0.00 C ATOM 1111 O ARG A 68 17.814 -11.310 3.482 1.00 0.00 O ATOM 1112 CB ARG A 68 17.417 -9.904 0.593 1.00 0.00 C ATOM 1113 CG ARG A 68 17.936 -10.439 -0.732 1.00 0.00 C ATOM 1114 CD ARG A 68 19.438 -10.667 -0.690 1.00 0.00 C ATOM 1115 NE ARG A 68 19.938 -11.256 -1.933 1.00 0.00 N ATOM 1116 CZ ARG A 68 19.855 -12.557 -2.231 1.00 0.00 C ATOM 1117 NH1 ARG A 68 19.279 -13.409 -1.384 1.00 0.00 N ATOM 1118 NH2 ARG A 68 20.347 -13.006 -3.381 1.00 0.00 N ATOM 0 H ARG A 68 14.959 -10.114 0.468 1.00 0.00 H new ATOM 0 HA ARG A 68 16.987 -11.937 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.771 -9.048 0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.259 -9.541 1.183 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.431 -11.375 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.696 -9.735 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.944 -9.719 -0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.682 -11.323 0.146 1.00 0.00 H new ATOM 0 HE ARG A 68 20.377 -10.636 -2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.897 -13.070 -0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.220 -14.400 -1.619 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.787 -12.359 -4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.285 -13.998 -3.610 1.00 0.00 H new ATOM 1132 N SER A 69 16.092 -9.854 3.529 1.00 0.00 N ATOM 1133 CA SER A 69 16.235 -9.561 4.952 1.00 0.00 C ATOM 1134 C SER A 69 15.498 -10.596 5.798 1.00 0.00 C ATOM 1135 O SER A 69 14.269 -10.575 5.886 1.00 0.00 O ATOM 1136 CB SER A 69 15.704 -8.158 5.269 1.00 0.00 C ATOM 1137 OG SER A 69 15.791 -7.879 6.659 1.00 0.00 O ATOM 0 H SER A 69 15.333 -9.351 3.069 1.00 0.00 H new ATOM 0 HA SER A 69 17.296 -9.603 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.273 -7.416 4.710 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.667 -8.076 4.943 1.00 0.00 H new ATOM 0 HG SER A 69 15.920 -6.917 6.792 1.00 0.00 H new ATOM 1143 N SER A 70 16.255 -11.497 6.426 1.00 0.00 N ATOM 1144 CA SER A 70 15.668 -12.534 7.276 1.00 0.00 C ATOM 1145 C SER A 70 15.041 -11.924 8.533 1.00 0.00 C ATOM 1146 O SER A 70 14.050 -12.438 9.050 1.00 0.00 O ATOM 1147 CB SER A 70 16.723 -13.569 7.671 1.00 0.00 C ATOM 1148 OG SER A 70 17.693 -13.010 8.542 1.00 0.00 O ATOM 0 H SER A 70 17.272 -11.530 6.363 1.00 0.00 H new ATOM 0 HA SER A 70 14.884 -13.029 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.240 -14.416 8.157 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.213 -13.952 6.776 1.00 0.00 H new ATOM 0 HG SER A 70 18.353 -13.695 8.779 1.00 0.00 H new ATOM 1154 N SER A 71 15.630 -10.823 9.018 1.00 0.00 N ATOM 1155 CA SER A 71 15.135 -10.143 10.212 1.00 0.00 C ATOM 1156 C SER A 71 13.764 -9.512 9.954 1.00 0.00 C ATOM 1157 O SER A 71 12.865 -9.604 10.791 1.00 0.00 O ATOM 1158 CB SER A 71 16.141 -9.074 10.660 1.00 0.00 C ATOM 1159 OG SER A 71 15.523 -8.080 11.458 1.00 0.00 O ATOM 0 H SER A 71 16.451 -10.387 8.598 1.00 0.00 H new ATOM 0 HA SER A 71 15.022 -10.880 11.007 1.00 0.00 H new ATOM 0 HB2 SER A 71 16.947 -9.545 11.223 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.594 -8.609 9.784 1.00 0.00 H new ATOM 0 HG SER A 71 16.191 -7.415 11.728 1.00 0.00 H new ATOM 1165 N MET A 72 13.613 -8.874 8.792 1.00 0.00 N ATOM 1166 CA MET A 72 12.354 -8.231 8.429 1.00 0.00 C ATOM 1167 C MET A 72 11.357 -9.247 7.877 1.00 0.00 C ATOM 1168 O MET A 72 11.626 -9.916 6.878 1.00 0.00 O ATOM 1169 CB MET A 72 12.595 -7.125 7.399 1.00 0.00 C ATOM 1170 CG MET A 72 11.960 -5.799 7.777 1.00 0.00 C ATOM 1171 SD MET A 72 12.784 -5.017 9.178 1.00 0.00 S ATOM 1172 CE MET A 72 12.726 -3.296 8.682 1.00 0.00 C ATOM 0 H MET A 72 14.347 -8.790 8.089 1.00 0.00 H new ATOM 0 HA MET A 72 11.932 -7.790 9.332 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.668 -6.983 7.274 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.202 -7.446 6.434 1.00 0.00 H new ATOM 0 HG2 MET A 72 11.991 -5.127 6.919 1.00 0.00 H new ATOM 0 HG3 MET A 72 10.909 -5.958 8.020 1.00 0.00 H new ATOM 0 HE1 MET A 72 13.198 -2.681 9.448 1.00 0.00 H new ATOM 0 HE2 MET A 72 13.256 -3.171 7.738 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.688 -2.988 8.558 1.00 0.00 H new ATOM 1182 N LYS A 73 10.203 -9.350 8.537 1.00 0.00 N ATOM 1183 CA LYS A 73 9.152 -10.282 8.120 1.00 0.00 C ATOM 1184 C LYS A 73 7.939 -9.534 7.562 1.00 0.00 C ATOM 1185 O LYS A 73 7.343 -9.961 6.571 1.00 0.00 O ATOM 1186 CB LYS A 73 8.730 -11.183 9.290 1.00 0.00 C ATOM 1187 CG LYS A 73 8.473 -10.438 10.592 1.00 0.00 C ATOM 1188 CD LYS A 73 8.196 -11.398 11.738 1.00 0.00 C ATOM 1189 CE LYS A 73 6.864 -12.111 11.562 1.00 0.00 C ATOM 1190 NZ LYS A 73 6.998 -13.590 11.699 1.00 0.00 N ATOM 0 H LYS A 73 9.971 -8.799 9.364 1.00 0.00 H new ATOM 0 HA LYS A 73 9.559 -10.908 7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.826 -11.723 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.508 -11.928 9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.337 -9.819 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.625 -9.765 10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.998 -12.134 11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.194 -10.850 12.680 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.155 -11.741 12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.453 -11.874 10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.067 -14.036 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.655 -13.947 10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.366 -13.819 12.644 1.00 0.00 H new ATOM 1204 N SER A 74 7.580 -8.415 8.198 1.00 0.00 N ATOM 1205 CA SER A 74 6.441 -7.609 7.759 1.00 0.00 C ATOM 1206 C SER A 74 6.882 -6.520 6.775 1.00 0.00 C ATOM 1207 O SER A 74 8.077 -6.258 6.624 1.00 0.00 O ATOM 1208 CB SER A 74 5.739 -6.978 8.968 1.00 0.00 C ATOM 1209 OG SER A 74 6.491 -5.900 9.509 1.00 0.00 O ATOM 0 H SER A 74 8.063 -8.048 9.018 1.00 0.00 H new ATOM 0 HA SER A 74 5.740 -8.267 7.245 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.753 -6.621 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.585 -7.736 9.736 1.00 0.00 H new ATOM 0 HG SER A 74 6.014 -5.521 10.276 1.00 0.00 H new ATOM 1215 N LEU A 75 5.910 -5.891 6.110 1.00 0.00 N ATOM 1216 CA LEU A 75 6.199 -4.833 5.142 1.00 0.00 C ATOM 1217 C LEU A 75 5.810 -3.460 5.690 1.00 0.00 C ATOM 1218 O LEU A 75 4.700 -3.273 6.195 1.00 0.00 O ATOM 1219 CB LEU A 75 5.455 -5.098 3.828 1.00 0.00 C ATOM 1220 CG LEU A 75 6.345 -5.291 2.599 1.00 0.00 C ATOM 1221 CD1 LEU A 75 5.695 -6.252 1.613 1.00 0.00 C ATOM 1222 CD2 LEU A 75 6.631 -3.952 1.932 1.00 0.00 C ATOM 0 H LEU A 75 4.918 -6.096 6.225 1.00 0.00 H new ATOM 0 HA LEU A 75 7.273 -4.835 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.838 -5.988 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.778 -4.265 3.639 1.00 0.00 H new ATOM 0 HG LEU A 75 7.292 -5.722 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.343 -6.377 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.542 -7.218 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.734 -5.850 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.265 -4.108 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.693 -3.493 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.140 -3.295 2.638 1.00 0.00 H new ATOM 1234 N ARG A 76 6.731 -2.501 5.582 1.00 0.00 N ATOM 1235 CA ARG A 76 6.487 -1.141 6.058 1.00 0.00 C ATOM 1236 C ARG A 76 5.908 -0.273 4.940 1.00 0.00 C ATOM 1237 O ARG A 76 6.644 0.405 4.218 1.00 0.00 O ATOM 1238 CB ARG A 76 7.787 -0.524 6.592 1.00 0.00 C ATOM 1239 CG ARG A 76 7.598 0.845 7.231 1.00 0.00 C ATOM 1240 CD ARG A 76 8.579 1.072 8.372 1.00 0.00 C ATOM 1241 NE ARG A 76 9.155 2.418 8.344 1.00 0.00 N ATOM 1242 CZ ARG A 76 8.518 3.516 8.764 1.00 0.00 C ATOM 1243 NH1 ARG A 76 7.273 3.440 9.231 1.00 0.00 N ATOM 1244 NH2 ARG A 76 9.129 4.697 8.710 1.00 0.00 N ATOM 0 H ARG A 76 7.653 -2.642 5.169 1.00 0.00 H new ATOM 0 HA ARG A 76 5.760 -1.186 6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.225 -1.200 7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.501 -0.437 5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.731 1.621 6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.578 0.935 7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.070 0.916 9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.379 0.334 8.313 1.00 0.00 H new ATOM 0 HE ARG A 76 10.102 2.525 7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.797 2.539 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.795 4.283 9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.081 4.763 8.349 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.646 5.536 9.030 1.00 0.00 H new ATOM 1258 N ILE A 77 4.584 -0.306 4.799 1.00 0.00 N ATOM 1259 CA ILE A 77 3.897 0.472 3.772 1.00 0.00 C ATOM 1260 C ILE A 77 2.943 1.486 4.400 1.00 0.00 C ATOM 1261 O ILE A 77 2.124 1.132 5.251 1.00 0.00 O ATOM 1262 CB ILE A 77 3.097 -0.434 2.808 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.961 -1.593 2.303 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.556 0.377 1.638 1.00 0.00 C ATOM 1265 CD1 ILE A 77 3.164 -2.686 1.621 1.00 0.00 C ATOM 0 H ILE A 77 3.965 -0.865 5.386 1.00 0.00 H new ATOM 0 HA ILE A 77 4.669 0.995 3.208 1.00 0.00 H new ATOM 0 HB ILE A 77 2.255 -0.853 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.703 -1.206 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.507 -2.022 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.996 -0.277 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.899 1.162 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.386 0.827 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.839 -3.475 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.440 -3.100 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.639 -2.271 0.761 1.00 0.00 H new ATOM 1277 N LEU A 78 3.052 2.744 3.975 1.00 0.00 N ATOM 1278 CA LEU A 78 2.196 3.808 4.494 1.00 0.00 C ATOM 1279 C LEU A 78 1.257 4.327 3.409 1.00 0.00 C ATOM 1280 O LEU A 78 1.704 4.863 2.393 1.00 0.00 O ATOM 1281 CB LEU A 78 3.047 4.954 5.045 1.00 0.00 C ATOM 1282 CG LEU A 78 2.537 5.571 6.349 1.00 0.00 C ATOM 1283 CD1 LEU A 78 3.180 4.894 7.551 1.00 0.00 C ATOM 1284 CD2 LEU A 78 2.803 7.069 6.367 1.00 0.00 C ATOM 0 H LEU A 78 3.725 3.051 3.273 1.00 0.00 H new ATOM 0 HA LEU A 78 1.593 3.395 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.061 4.588 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.107 5.737 4.289 1.00 0.00 H new ATOM 0 HG LEU A 78 1.460 5.413 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.804 5.347 8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.935 3.832 7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.262 5.017 7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.434 7.493 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.875 7.249 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.291 7.540 5.528 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.049 4.167 3.632 1.00 0.00 N ATOM 1297 CA LEU A 79 -1.052 4.621 2.672 1.00 0.00 C ATOM 1298 C LEU A 79 -1.633 5.969 3.086 1.00 0.00 C ATOM 1299 O LEU A 79 -2.040 6.157 4.235 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.179 3.590 2.525 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.803 3.102 3.838 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.311 3.301 3.822 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -2.457 1.640 4.081 1.00 0.00 C ATOM 0 H LEU A 79 -0.434 3.727 4.468 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.556 4.735 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.966 4.024 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.790 2.727 1.985 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.390 3.693 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.735 2.948 4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.537 4.360 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.744 2.737 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.908 1.310 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.840 1.034 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.374 1.527 4.140 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.677 6.906 2.139 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.220 8.238 2.399 1.00 0.00 C ATOM 1317 C LEU A 80 -3.360 8.553 1.436 1.00 0.00 C ATOM 1318 O LEU A 80 -3.225 8.386 0.222 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.123 9.309 2.289 1.00 0.00 C ATOM 1320 CG LEU A 80 -0.310 9.298 0.988 1.00 0.00 C ATOM 1321 CD1 LEU A 80 -0.811 10.371 0.030 1.00 0.00 C ATOM 1322 CD2 LEU A 80 1.170 9.498 1.287 1.00 0.00 C ATOM 0 H LEU A 80 -1.343 6.767 1.185 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.610 8.247 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.586 10.290 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.436 9.186 3.126 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.440 8.327 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.221 10.345 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.858 10.186 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.713 11.351 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.734 9.488 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.314 10.455 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.523 8.694 1.933 1.00 0.00 H new ATOM 1334 N SER A 81 -4.482 9.014 1.984 1.00 0.00 N ATOM 1335 CA SER A 81 -5.643 9.358 1.172 1.00 0.00 C ATOM 1336 C SER A 81 -5.430 10.690 0.461 1.00 0.00 C ATOM 1337 O SER A 81 -4.960 11.660 1.061 1.00 0.00 O ATOM 1338 CB SER A 81 -6.905 9.422 2.037 1.00 0.00 C ATOM 1339 OG SER A 81 -8.029 9.836 1.276 1.00 0.00 O ATOM 0 H SER A 81 -4.610 9.157 2.986 1.00 0.00 H new ATOM 0 HA SER A 81 -5.771 8.579 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.099 8.443 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.747 10.114 2.864 1.00 0.00 H new ATOM 0 HG SER A 81 -8.061 9.330 0.437 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.786 10.732 -0.820 1.00 0.00 N ATOM 1346 CA GLN A 82 -5.644 11.945 -1.620 1.00 0.00 C ATOM 1347 C GLN A 82 -6.875 12.848 -1.515 1.00 0.00 C ATOM 1348 O GLN A 82 -6.975 13.858 -2.215 1.00 0.00 O ATOM 1349 CB GLN A 82 -5.354 11.591 -3.081 1.00 0.00 C ATOM 1350 CG GLN A 82 -4.694 12.717 -3.861 1.00 0.00 C ATOM 1351 CD GLN A 82 -3.268 12.979 -3.414 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -2.368 12.182 -3.679 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -3.056 14.096 -2.727 1.00 0.00 N ATOM 0 H GLN A 82 -6.176 9.938 -1.327 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.799 12.505 -1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.710 10.712 -3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.288 11.319 -3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.698 12.470 -4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.281 13.628 -3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.832 14.728 -2.530 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.118 14.321 -2.397 1.00 0.00 H new ATOM 1362 N ASP A 83 -7.805 12.475 -0.640 1.00 0.00 N ATOM 1363 CA ASP A 83 -9.034 13.238 -0.432 1.00 0.00 C ATOM 1364 C ASP A 83 -8.729 14.670 0.023 1.00 0.00 C ATOM 1365 O ASP A 83 -8.641 14.950 1.221 1.00 0.00 O ATOM 1366 CB ASP A 83 -9.924 12.536 0.604 1.00 0.00 C ATOM 1367 CG ASP A 83 -10.858 11.511 -0.016 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -11.629 11.880 -0.927 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -10.819 10.337 0.412 1.00 0.00 O ATOM 0 H ASP A 83 -7.730 11.641 -0.058 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.562 13.290 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.293 12.044 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.514 13.283 1.135 1.00 0.00 H new ATOM 1374 N ARG A 84 -8.569 15.571 -0.948 1.00 0.00 N ATOM 1375 CA ARG A 84 -8.275 16.977 -0.668 1.00 0.00 C ATOM 1376 C ARG A 84 -9.341 17.881 -1.282 1.00 0.00 C ATOM 1377 O ARG A 84 -9.888 18.760 -0.612 1.00 0.00 O ATOM 1378 CB ARG A 84 -6.895 17.351 -1.214 1.00 0.00 C ATOM 1379 CG ARG A 84 -5.999 18.030 -0.192 1.00 0.00 C ATOM 1380 CD ARG A 84 -4.775 18.652 -0.845 1.00 0.00 C ATOM 1381 NE ARG A 84 -5.091 19.913 -1.515 1.00 0.00 N ATOM 1382 CZ ARG A 84 -5.264 21.078 -0.881 1.00 0.00 C ATOM 1383 NH1 ARG A 84 -5.163 21.148 0.446 1.00 0.00 N ATOM 1384 NH2 ARG A 84 -5.540 22.177 -1.575 1.00 0.00 N ATOM 0 H ARG A 84 -8.639 15.350 -1.941 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.278 17.118 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.401 16.450 -1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.020 18.012 -2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.564 18.801 0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.683 17.303 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.010 18.826 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.355 17.953 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.185 19.903 -2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.952 20.309 0.986 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.296 22.041 0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.620 22.132 -2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.672 23.066 -1.092 1.00 0.00 H new ATOM 1398 N ASN A 85 -9.630 17.647 -2.564 1.00 0.00 N ATOM 1399 CA ASN A 85 -10.633 18.414 -3.304 1.00 0.00 C ATOM 1400 C ASN A 85 -10.177 19.855 -3.538 1.00 0.00 C ATOM 1401 O ASN A 85 -10.082 20.647 -2.599 1.00 0.00 O ATOM 1402 CB ASN A 85 -11.977 18.391 -2.569 1.00 0.00 C ATOM 1403 CG ASN A 85 -13.147 18.677 -3.492 1.00 0.00 C ATOM 1404 OD1 ASN A 85 -13.280 19.781 -4.019 1.00 0.00 O ATOM 1405 ND2 ASN A 85 -14.004 17.681 -3.695 1.00 0.00 N ATOM 0 H ASN A 85 -9.175 16.921 -3.118 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.757 17.942 -4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -12.116 17.416 -2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.962 19.129 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.808 17.817 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.857 16.781 -3.239 1.00 0.00 H new ATOM 1412 N LEU A 86 -9.893 20.182 -4.799 1.00 0.00 N ATOM 1413 CA LEU A 86 -9.445 21.524 -5.167 1.00 0.00 C ATOM 1414 C LEU A 86 -10.619 22.490 -5.299 1.00 0.00 C ATOM 1415 O LEU A 86 -11.766 22.071 -5.466 1.00 0.00 O ATOM 1416 CB LEU A 86 -8.663 21.482 -6.481 1.00 0.00 C ATOM 1417 CG LEU A 86 -7.442 22.401 -6.537 1.00 0.00 C ATOM 1418 CD1 LEU A 86 -6.485 22.093 -5.394 1.00 0.00 C ATOM 1419 CD2 LEU A 86 -6.740 22.267 -7.880 1.00 0.00 C ATOM 0 H LEU A 86 -9.966 19.534 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.796 21.883 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.336 20.458 -6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.337 21.748 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.779 23.432 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.623 22.758 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.995 22.242 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.151 21.058 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.873 22.927 -7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.415 21.236 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.428 22.542 -8.679 1.00 0.00 H new ATOM 1431 N GLU A 87 -10.319 23.788 -5.229 1.00 0.00 N ATOM 1432 CA GLU A 87 -11.341 24.827 -5.342 1.00 0.00 C ATOM 1433 C GLU A 87 -11.195 25.610 -6.647 1.00 0.00 C ATOM 1434 O GLU A 87 -12.146 25.718 -7.423 1.00 0.00 O ATOM 1435 CB GLU A 87 -11.264 25.781 -4.147 1.00 0.00 C ATOM 1436 CG GLU A 87 -11.692 25.149 -2.832 1.00 0.00 C ATOM 1437 CD GLU A 87 -13.175 24.838 -2.792 1.00 0.00 C ATOM 1438 OE1 GLU A 87 -13.968 25.756 -2.497 1.00 0.00 O ATOM 1439 OE2 GLU A 87 -13.542 23.675 -3.061 1.00 0.00 O ATOM 0 H GLU A 87 -9.373 24.144 -5.094 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.315 24.338 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.241 26.145 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.893 26.649 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.127 24.230 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.443 25.822 -2.011 1.00 0.00 H new ATOM 1446 N HIS A 88 -10.002 26.161 -6.880 1.00 0.00 N ATOM 1447 CA HIS A 88 -9.736 26.939 -8.090 1.00 0.00 C ATOM 1448 C HIS A 88 -8.886 26.145 -9.086 1.00 0.00 C ATOM 1449 O HIS A 88 -8.168 25.218 -8.705 1.00 0.00 O ATOM 1450 CB HIS A 88 -9.030 28.256 -7.740 1.00 0.00 C ATOM 1451 CG HIS A 88 -9.713 29.056 -6.670 1.00 0.00 C ATOM 1452 ND1 HIS A 88 -11.085 29.161 -6.556 1.00 0.00 N ATOM 1453 CD2 HIS A 88 -9.198 29.802 -5.662 1.00 0.00 C ATOM 1454 CE1 HIS A 88 -11.383 29.936 -5.528 1.00 0.00 C ATOM 1455 NE2 HIS A 88 -10.257 30.337 -4.970 1.00 0.00 N ATOM 0 H HIS A 88 -9.206 26.083 -6.247 1.00 0.00 H new ATOM 0 HA HIS A 88 -10.696 27.160 -8.556 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.012 28.035 -7.419 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -8.955 28.865 -8.641 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.150 29.948 -5.444 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -12.379 30.197 -5.201 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -10.184 30.947 -4.155 1.00 0.00 H new ATOM 1464 N HIS A 89 -8.974 26.529 -10.365 1.00 0.00 N ATOM 1465 CA HIS A 89 -8.221 25.878 -11.441 1.00 0.00 C ATOM 1466 C HIS A 89 -8.666 24.426 -11.631 1.00 0.00 C ATOM 1467 O HIS A 89 -8.116 23.507 -11.019 1.00 0.00 O ATOM 1468 CB HIS A 89 -6.712 25.943 -11.165 1.00 0.00 C ATOM 1469 CG HIS A 89 -5.893 26.333 -12.360 1.00 0.00 C ATOM 1470 ND1 HIS A 89 -4.535 26.109 -12.449 1.00 0.00 N ATOM 1471 CD2 HIS A 89 -6.248 26.938 -13.521 1.00 0.00 C ATOM 1472 CE1 HIS A 89 -4.091 26.560 -13.610 1.00 0.00 C ATOM 1473 NE2 HIS A 89 -5.111 27.067 -14.278 1.00 0.00 N ATOM 0 H HIS A 89 -9.567 27.296 -10.681 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.430 26.418 -12.364 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -6.530 26.658 -10.363 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.375 24.970 -10.808 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -7.241 27.259 -13.798 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -3.068 26.520 -13.954 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -5.062 27.487 -15.206 1.00 0.00 H new ATOM 1482 N HIS A 90 -9.670 24.230 -12.491 1.00 0.00 N ATOM 1483 CA HIS A 90 -10.204 22.896 -12.778 1.00 0.00 C ATOM 1484 C HIS A 90 -10.668 22.792 -14.235 1.00 0.00 C ATOM 1485 O HIS A 90 -10.312 21.848 -14.941 1.00 0.00 O ATOM 1486 CB HIS A 90 -11.371 22.572 -11.834 1.00 0.00 C ATOM 1487 CG HIS A 90 -11.027 21.603 -10.738 1.00 0.00 C ATOM 1488 ND1 HIS A 90 -9.736 21.358 -10.316 1.00 0.00 N ATOM 1489 CD2 HIS A 90 -11.824 20.820 -9.971 1.00 0.00 C ATOM 1490 CE1 HIS A 90 -9.755 20.468 -9.340 1.00 0.00 C ATOM 1491 NE2 HIS A 90 -11.009 20.126 -9.110 1.00 0.00 N ATOM 0 H HIS A 90 -10.131 24.983 -13.003 1.00 0.00 H new ATOM 0 HA HIS A 90 -9.404 22.173 -12.618 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.728 23.499 -11.385 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.194 22.163 -12.420 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -8.898 21.796 -10.698 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.901 20.754 -10.026 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -8.890 20.085 -8.818 1.00 0.00 H new ATOM 1500 N HIS A 91 -11.465 23.771 -14.674 1.00 0.00 N ATOM 1501 CA HIS A 91 -11.984 23.795 -16.045 1.00 0.00 C ATOM 1502 C HIS A 91 -11.168 24.737 -16.934 1.00 0.00 C ATOM 1503 O HIS A 91 -10.429 25.590 -16.438 1.00 0.00 O ATOM 1504 CB HIS A 91 -13.462 24.213 -16.052 1.00 0.00 C ATOM 1505 CG HIS A 91 -13.742 25.476 -15.293 1.00 0.00 C ATOM 1506 ND1 HIS A 91 -13.775 26.721 -15.885 1.00 0.00 N ATOM 1507 CD2 HIS A 91 -13.998 25.680 -13.978 1.00 0.00 C ATOM 1508 CE1 HIS A 91 -14.037 27.635 -14.966 1.00 0.00 C ATOM 1509 NE2 HIS A 91 -14.176 27.030 -13.801 1.00 0.00 N ATOM 0 H HIS A 91 -11.765 24.558 -14.099 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.897 22.787 -16.450 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.788 24.342 -17.084 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -14.059 23.406 -15.628 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.052 24.921 -13.211 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.123 28.698 -15.139 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.382 27.490 -12.914 1.00 0.00 H new ATOM 1518 N HIS A 92 -11.309 24.573 -18.251 1.00 0.00 N ATOM 1519 CA HIS A 92 -10.589 25.403 -19.220 1.00 0.00 C ATOM 1520 C HIS A 92 -11.484 26.510 -19.778 1.00 0.00 C ATOM 1521 O HIS A 92 -12.708 26.370 -19.822 1.00 0.00 O ATOM 1522 CB HIS A 92 -10.059 24.539 -20.369 1.00 0.00 C ATOM 1523 CG HIS A 92 -8.625 24.804 -20.709 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -8.233 25.757 -21.625 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -7.487 24.232 -20.252 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -6.915 25.758 -21.718 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -6.438 24.843 -20.895 1.00 0.00 N ATOM 0 H HIS A 92 -11.917 23.871 -18.672 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.752 25.869 -18.700 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -10.172 23.488 -20.104 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.671 24.712 -21.254 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.417 23.442 -19.519 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.328 26.399 -22.359 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -5.451 24.625 -20.759 1.00 0.00 H new ATOM 1536 N HIS A 93 -10.861 27.608 -20.211 1.00 0.00 N ATOM 1537 CA HIS A 93 -11.589 28.746 -20.777 1.00 0.00 C ATOM 1538 C HIS A 93 -12.001 28.475 -22.226 1.00 0.00 C ATOM 1539 O HIS A 93 -11.383 27.599 -22.870 1.00 0.00 O ATOM 1540 CB HIS A 93 -10.725 30.012 -20.705 1.00 0.00 C ATOM 1541 CG HIS A 93 -11.493 31.258 -20.379 1.00 0.00 C ATOM 1542 ND1 HIS A 93 -11.020 32.233 -19.523 1.00 0.00 N ATOM 1543 CD2 HIS A 93 -12.704 31.692 -20.806 1.00 0.00 C ATOM 1544 CE1 HIS A 93 -11.906 33.211 -19.439 1.00 0.00 C ATOM 1545 NE2 HIS A 93 -12.935 32.906 -20.207 1.00 0.00 N ATOM 1546 OXT HIS A 93 -12.941 29.144 -22.706 1.00 0.00 O ATOM 0 H HIS A 93 -9.849 27.733 -20.180 1.00 0.00 H new ATOM 0 HA HIS A 93 -12.495 28.894 -20.189 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.950 29.868 -19.952 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -10.219 30.149 -21.661 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -13.364 31.179 -21.490 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -11.805 34.106 -18.844 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -13.768 33.480 -20.335 1.00 0.00 H new TER 1555 HIS A 93