USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1067 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 83 SER OG : rot 79:sc= 1.78 USER MOD Set 1.2: A 96 TYR OH : rot -5:sc= 0.622 USER MOD Set 1.3: A 119 TYR OH : rot 13:sc= 0.0467 USER MOD Set 2.1: A 82 THR OG1 : rot 84:sc= 1.26 USER MOD Set 2.2: A 99 ASN : amide:sc= 0 K(o=1.3,f=0.16) USER MOD Set 3.1: A 48 ASN : amide:sc= -1.51! C(o=-0.34!,f=-12!) USER MOD Set 3.2: A 62 LYS NZ :NH3+ 170:sc= 1.18 (180deg=-0.168) USER MOD Set 4.1: A 40 TYR OH : rot 84:sc= 0.0132 USER MOD Set 4.2: A 110 THR OG1 : rot 73:sc= 0.59 USER MOD Set 5.1: A 38 SER OG : rot -75:sc= 1.28 USER MOD Set 5.2: A 39 HIS : no HD1:sc= 1.11 K(o=2.4,f=-6!) USER MOD Set 6.1: A 8 GLN :FLIP amide:sc= 0.164 F(o=-1.2,f=-0.15) USER MOD Set 6.2: A 57 ASN :FLIP amide:sc= -0.31 F(o=-2.2,f=-0.15) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.16) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= 1.2 (180deg=1.06) USER MOD Single : A 21 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.282 K(o=0.28,f=-7.8!) USER MOD Single : A 25 TYR OH : rot 165:sc= -0.381 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 94:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= -0.547 (180deg=-2.04!) USER MOD Single : A 35 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-3.1!) USER MOD Single : A 36 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.7!) USER MOD Single : A 42 TYR OH : rot -17:sc= 0.00557 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.0153 (180deg=-0.245) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 69 SER OG : rot -80:sc= -2.21! USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0.629 (180deg=0.623) USER MOD Single : A 73 SER OG : rot 180:sc= -0.012 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HE2:sc= 1.04 K(o=1,f=-5.6!) USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.705 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0335) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 94 GLN : amide:sc= -1.34! X(o=-1.3!,f=-1.5) USER MOD Single : A 102 LYS NZ :NH3+ -168:sc= -0.0376 (180deg=-0.304) USER MOD Single : A 111 ASN : amide:sc= -2.43! C(o=-2.4!,f=-6.5!) USER MOD Single : A 113 HIS : no HD1:sc= -0.0687 X(o=-0.069,f=-0.0068) USER MOD Single : A 115 GLN : amide:sc= 0.896 K(o=0.9,f=-0.13) USER MOD Single : A 116 LYS NZ :NH3+ -137:sc= 1.13 (180deg=0.13) USER MOD Single : A 118 TYR OH : rot 59:sc= 1.25 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 56:sc= 0.406 USER MOD Single : A 124 ASN :FLIP amide:sc= -0.366 F(o=-1.3,f=-0.37) USER MOD Single : A 125 SER OG : rot 112:sc= -0.0108! USER MOD Single : A 129 THR OG1 : rot 110:sc= -0.351 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -5.964 14.558 -16.216 1.00 0.00 N ATOM 2 CA ASP A 7 -5.589 13.188 -15.930 1.00 0.00 C ATOM 3 C ASP A 7 -5.464 13.000 -14.428 1.00 0.00 C ATOM 4 O ASP A 7 -4.434 13.310 -13.830 1.00 0.00 O ATOM 5 CB ASP A 7 -4.283 12.816 -16.631 1.00 0.00 C ATOM 6 CG ASP A 7 -4.070 11.317 -16.680 1.00 0.00 C ATOM 7 OD1 ASP A 7 -3.748 10.717 -15.636 1.00 0.00 O ATOM 8 OD2 ASP A 7 -4.234 10.726 -17.772 1.00 0.00 O ATOM 0 HA ASP A 7 -6.366 12.525 -16.311 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.290 13.214 -17.646 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.447 13.284 -16.111 1.00 0.00 H new ATOM 13 N GLN A 8 -6.533 12.508 -13.825 1.00 0.00 N ATOM 14 CA GLN A 8 -6.612 12.353 -12.382 1.00 0.00 C ATOM 15 C GLN A 8 -5.659 11.260 -11.911 1.00 0.00 C ATOM 16 O GLN A 8 -5.244 11.230 -10.749 1.00 0.00 O ATOM 17 CB GLN A 8 -8.055 12.032 -11.996 1.00 0.00 C ATOM 18 CG GLN A 8 -8.324 12.022 -10.504 1.00 0.00 C ATOM 19 CD GLN A 8 -9.805 11.952 -10.192 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.575 11.334 -11.079 1.00 0.00 O flip ATOM 21 NE2 GLN A 8 -10.259 12.458 -9.169 1.00 0.00 N flip ATOM 0 H GLN A 8 -7.371 12.205 -14.322 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.312 13.281 -11.894 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.714 12.763 -12.465 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.318 11.057 -12.405 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.818 11.170 -10.051 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.901 12.920 -10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.635 12.925 -8.511 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.260 12.411 -8.978 1.00 0.00 H new ATOM 30 N VAL A 9 -5.304 10.378 -12.836 1.00 0.00 N ATOM 31 CA VAL A 9 -4.351 9.318 -12.558 1.00 0.00 C ATOM 32 C VAL A 9 -2.979 9.910 -12.246 1.00 0.00 C ATOM 33 O VAL A 9 -2.273 9.413 -11.368 1.00 0.00 O ATOM 34 CB VAL A 9 -4.244 8.329 -13.743 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.257 7.212 -13.437 1.00 0.00 C ATOM 36 CG2 VAL A 9 -5.611 7.748 -14.076 1.00 0.00 C ATOM 0 H VAL A 9 -5.666 10.378 -13.790 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.711 8.766 -11.690 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.876 8.880 -14.608 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.202 6.532 -14.287 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.272 7.638 -13.249 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.589 6.664 -12.555 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.518 7.054 -14.912 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.003 7.219 -13.207 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.293 8.554 -14.348 1.00 0.00 H new ATOM 46 N VAL A 10 -2.616 10.991 -12.939 1.00 0.00 N ATOM 47 CA VAL A 10 -1.329 11.642 -12.706 1.00 0.00 C ATOM 48 C VAL A 10 -1.222 12.142 -11.264 1.00 0.00 C ATOM 49 O VAL A 10 -0.195 11.957 -10.614 1.00 0.00 O ATOM 50 CB VAL A 10 -1.097 12.821 -13.678 1.00 0.00 C ATOM 51 CG1 VAL A 10 0.169 13.583 -13.318 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.012 12.325 -15.112 1.00 0.00 C ATOM 0 H VAL A 10 -3.190 11.430 -13.659 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.559 10.892 -12.886 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.947 13.498 -13.588 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.309 14.407 -14.017 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.081 13.977 -12.306 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.026 12.911 -13.373 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.849 13.170 -15.780 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.184 11.623 -15.206 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.943 11.825 -15.380 1.00 0.00 H new ATOM 62 N ILE A 11 -2.298 12.740 -10.766 1.00 0.00 N ATOM 63 CA ILE A 11 -2.304 13.318 -9.423 1.00 0.00 C ATOM 64 C ILE A 11 -2.086 12.244 -8.358 1.00 0.00 C ATOM 65 O ILE A 11 -1.186 12.357 -7.523 1.00 0.00 O ATOM 66 CB ILE A 11 -3.620 14.089 -9.127 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.672 15.421 -9.890 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.774 14.348 -7.633 1.00 0.00 C ATOM 69 CD1 ILE A 11 -3.874 15.282 -11.385 1.00 0.00 C ATOM 0 H ILE A 11 -3.179 12.838 -11.271 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.478 14.028 -9.386 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.445 13.462 -9.466 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.481 16.027 -9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.744 15.964 -9.711 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.703 14.889 -7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.797 13.398 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.932 14.943 -7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.898 16.271 -11.842 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.053 14.705 -11.811 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.816 14.769 -11.579 1.00 0.00 H new ATOM 81 N PHE A 12 -2.901 11.197 -8.395 1.00 0.00 N ATOM 82 CA PHE A 12 -2.819 10.138 -7.393 1.00 0.00 C ATOM 83 C PHE A 12 -1.529 9.330 -7.534 1.00 0.00 C ATOM 84 O PHE A 12 -0.881 9.005 -6.536 1.00 0.00 O ATOM 85 CB PHE A 12 -4.039 9.219 -7.476 1.00 0.00 C ATOM 86 CG PHE A 12 -5.284 9.811 -6.874 1.00 0.00 C ATOM 87 CD1 PHE A 12 -6.125 10.610 -7.629 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.611 9.565 -5.549 1.00 0.00 C ATOM 89 CE1 PHE A 12 -7.267 11.154 -7.076 1.00 0.00 C ATOM 90 CE2 PHE A 12 -6.753 10.106 -4.991 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.582 10.902 -5.755 1.00 0.00 C ATOM 0 H PHE A 12 -3.622 11.057 -9.103 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.807 10.614 -6.412 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.231 8.978 -8.522 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.812 8.281 -6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.885 10.810 -8.663 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.965 8.943 -4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.914 11.777 -7.676 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.997 9.906 -3.958 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.475 11.327 -5.321 1.00 0.00 H new ATOM 101 N LYS A 13 -1.146 9.019 -8.770 1.00 0.00 N ATOM 102 CA LYS A 13 0.076 8.262 -9.017 1.00 0.00 C ATOM 103 C LYS A 13 1.284 9.061 -8.546 1.00 0.00 C ATOM 104 O LYS A 13 2.270 8.497 -8.075 1.00 0.00 O ATOM 105 CB LYS A 13 0.223 7.926 -10.507 1.00 0.00 C ATOM 106 CG LYS A 13 1.371 6.969 -10.805 1.00 0.00 C ATOM 107 CD LYS A 13 2.217 7.433 -11.984 1.00 0.00 C ATOM 108 CE LYS A 13 3.027 8.673 -11.637 1.00 0.00 C ATOM 109 NZ LYS A 13 3.967 9.054 -12.727 1.00 0.00 N ATOM 0 H LYS A 13 -1.662 9.278 -9.611 1.00 0.00 H new ATOM 0 HA LYS A 13 0.018 7.327 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.708 7.487 -10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.376 8.849 -11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.003 6.876 -9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.970 5.978 -11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.890 6.631 -12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.570 7.646 -12.835 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.350 9.503 -11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.589 8.493 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.497 9.904 -12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.631 8.273 -12.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.430 9.252 -13.595 1.00 0.00 H new ATOM 123 N GLN A 14 1.186 10.382 -8.674 1.00 0.00 N ATOM 124 CA GLN A 14 2.253 11.281 -8.251 1.00 0.00 C ATOM 125 C GLN A 14 2.521 11.113 -6.763 1.00 0.00 C ATOM 126 O GLN A 14 3.668 11.027 -6.339 1.00 0.00 O ATOM 127 CB GLN A 14 1.874 12.735 -8.541 1.00 0.00 C ATOM 128 CG GLN A 14 3.058 13.686 -8.569 1.00 0.00 C ATOM 129 CD GLN A 14 3.917 13.498 -9.802 1.00 0.00 C ATOM 130 OE1 GLN A 14 4.873 12.720 -9.806 1.00 0.00 O ATOM 131 NE2 GLN A 14 3.571 14.203 -10.865 1.00 0.00 N ATOM 0 H GLN A 14 0.373 10.854 -9.070 1.00 0.00 H new ATOM 0 HA GLN A 14 3.154 11.031 -8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.360 12.782 -9.501 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.166 13.074 -7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.697 14.714 -8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.666 13.531 -7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.772 14.836 -10.819 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.102 14.114 -11.731 1.00 0.00 H new ATOM 140 N ILE A 15 1.446 11.051 -5.982 1.00 0.00 N ATOM 141 CA ILE A 15 1.545 10.885 -4.536 1.00 0.00 C ATOM 142 C ILE A 15 2.323 9.618 -4.184 1.00 0.00 C ATOM 143 O ILE A 15 3.292 9.666 -3.423 1.00 0.00 O ATOM 144 CB ILE A 15 0.145 10.823 -3.883 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.669 12.068 -4.246 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.264 10.687 -2.370 1.00 0.00 C ATOM 147 CD1 ILE A 15 -2.097 12.034 -3.742 1.00 0.00 C ATOM 0 H ILE A 15 0.489 11.114 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 15 2.078 11.753 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.375 9.945 -4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.171 12.948 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.679 12.181 -5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.732 10.645 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.807 9.773 -2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.803 11.546 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.609 12.949 -4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.613 11.175 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.097 11.954 -2.655 1.00 0.00 H new ATOM 159 N PHE A 16 1.912 8.493 -4.758 1.00 0.00 N ATOM 160 CA PHE A 16 2.545 7.210 -4.470 1.00 0.00 C ATOM 161 C PHE A 16 3.987 7.172 -4.975 1.00 0.00 C ATOM 162 O PHE A 16 4.867 6.598 -4.333 1.00 0.00 O ATOM 163 CB PHE A 16 1.750 6.061 -5.091 1.00 0.00 C ATOM 164 CG PHE A 16 0.433 5.797 -4.416 1.00 0.00 C ATOM 165 CD1 PHE A 16 0.353 4.918 -3.348 1.00 0.00 C ATOM 166 CD2 PHE A 16 -0.724 6.422 -4.850 1.00 0.00 C ATOM 167 CE1 PHE A 16 -0.856 4.672 -2.724 1.00 0.00 C ATOM 168 CE2 PHE A 16 -1.935 6.180 -4.230 1.00 0.00 C ATOM 169 CZ PHE A 16 -2.001 5.304 -3.166 1.00 0.00 C ATOM 0 H PHE A 16 1.143 8.443 -5.426 1.00 0.00 H new ATOM 0 HA PHE A 16 2.557 7.091 -3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.570 6.284 -6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.353 5.154 -5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.245 4.419 -2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.679 7.107 -5.684 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.905 3.986 -1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.829 6.676 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.946 5.113 -2.680 1.00 0.00 H new ATOM 179 N ASP A 17 4.234 7.787 -6.120 1.00 0.00 N ATOM 180 CA ASP A 17 5.571 7.793 -6.696 1.00 0.00 C ATOM 181 C ASP A 17 6.499 8.708 -5.906 1.00 0.00 C ATOM 182 O ASP A 17 7.660 8.373 -5.670 1.00 0.00 O ATOM 183 CB ASP A 17 5.530 8.229 -8.159 1.00 0.00 C ATOM 184 CG ASP A 17 6.875 8.080 -8.835 1.00 0.00 C ATOM 185 OD1 ASP A 17 7.146 6.989 -9.386 1.00 0.00 O ATOM 186 OD2 ASP A 17 7.670 9.043 -8.822 1.00 0.00 O ATOM 0 H ASP A 17 3.532 8.286 -6.667 1.00 0.00 H new ATOM 0 HA ASP A 17 5.959 6.776 -6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.788 7.635 -8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.208 9.269 -8.218 1.00 0.00 H new ATOM 191 N LYS A 18 5.972 9.847 -5.480 1.00 0.00 N ATOM 192 CA LYS A 18 6.763 10.829 -4.756 1.00 0.00 C ATOM 193 C LYS A 18 7.102 10.330 -3.357 1.00 0.00 C ATOM 194 O LYS A 18 8.214 10.539 -2.875 1.00 0.00 O ATOM 195 CB LYS A 18 6.026 12.168 -4.680 1.00 0.00 C ATOM 196 CG LYS A 18 6.900 13.302 -4.180 1.00 0.00 C ATOM 197 CD LYS A 18 6.173 14.634 -4.207 1.00 0.00 C ATOM 198 CE LYS A 18 7.110 15.771 -3.839 1.00 0.00 C ATOM 199 NZ LYS A 18 7.648 15.628 -2.460 1.00 0.00 N ATOM 0 H LYS A 18 4.998 10.113 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 18 7.695 10.977 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.643 12.421 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.164 12.064 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.226 13.087 -3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.798 13.366 -4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.758 14.806 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.334 14.609 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.937 15.803 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.580 16.719 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.069 16.529 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.877 15.370 -1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.375 14.885 -2.446 1.00 0.00 H new ATOM 213 N VAL A 19 6.161 9.649 -2.709 1.00 0.00 N ATOM 214 CA VAL A 19 6.420 9.096 -1.386 1.00 0.00 C ATOM 215 C VAL A 19 7.441 7.962 -1.483 1.00 0.00 C ATOM 216 O VAL A 19 8.140 7.653 -0.521 1.00 0.00 O ATOM 217 CB VAL A 19 5.131 8.596 -0.683 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.583 7.345 -1.349 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.391 8.350 0.796 1.00 0.00 C ATOM 0 H VAL A 19 5.225 9.469 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 19 6.822 9.904 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 19 4.376 9.376 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.680 7.023 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.346 7.562 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.330 6.552 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.476 8.000 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.170 7.596 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.714 9.278 1.268 1.00 0.00 H new ATOM 229 N ARG A 20 7.538 7.364 -2.666 1.00 0.00 N ATOM 230 CA ARG A 20 8.543 6.342 -2.927 1.00 0.00 C ATOM 231 C ARG A 20 9.937 6.975 -2.980 1.00 0.00 C ATOM 232 O ARG A 20 10.952 6.292 -2.831 1.00 0.00 O ATOM 233 CB ARG A 20 8.208 5.615 -4.236 1.00 0.00 C ATOM 234 CG ARG A 20 9.118 4.438 -4.559 1.00 0.00 C ATOM 235 CD ARG A 20 10.148 4.793 -5.621 1.00 0.00 C ATOM 236 NE ARG A 20 9.521 5.219 -6.875 1.00 0.00 N ATOM 237 CZ ARG A 20 9.549 4.509 -8.005 1.00 0.00 C ATOM 238 NH1 ARG A 20 10.165 3.334 -8.041 1.00 0.00 N ATOM 239 NH2 ARG A 20 8.954 4.976 -9.095 1.00 0.00 N ATOM 0 H ARG A 20 6.931 7.571 -3.460 1.00 0.00 H new ATOM 0 HA ARG A 20 8.541 5.611 -2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.179 5.258 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.257 6.331 -5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.628 4.114 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.516 3.597 -4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.792 5.590 -5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.786 3.930 -5.810 1.00 0.00 H new ATOM 0 HE ARG A 20 9.032 6.114 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.619 2.970 -7.203 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.184 2.795 -8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.476 5.877 -9.069 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.975 4.434 -9.959 1.00 0.00 H new ATOM 253 N ASN A 21 9.974 8.289 -3.186 1.00 0.00 N ATOM 254 CA ASN A 21 11.232 9.035 -3.198 1.00 0.00 C ATOM 255 C ASN A 21 11.488 9.664 -1.833 1.00 0.00 C ATOM 256 O ASN A 21 12.525 9.432 -1.214 1.00 0.00 O ATOM 257 CB ASN A 21 11.210 10.144 -4.259 1.00 0.00 C ATOM 258 CG ASN A 21 10.969 9.637 -5.666 1.00 0.00 C ATOM 259 OD1 ASN A 21 11.443 8.437 -5.964 1.00 0.00 O flip ATOM 260 ND2 ASN A 21 10.374 10.329 -6.490 1.00 0.00 N flip ATOM 0 H ASN A 21 9.145 8.862 -3.347 1.00 0.00 H new ATOM 0 HA ASN A 21 12.028 8.330 -3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.432 10.863 -4.003 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.160 10.678 -4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.023 11.249 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.232 9.983 -7.439 1.00 0.00 H new ATOM 267 N ASP A 22 10.529 10.461 -1.373 1.00 0.00 N ATOM 268 CA ASP A 22 10.660 11.192 -0.114 1.00 0.00 C ATOM 269 C ASP A 22 10.670 10.261 1.089 1.00 0.00 C ATOM 270 O ASP A 22 11.366 10.521 2.073 1.00 0.00 O ATOM 271 CB ASP A 22 9.509 12.188 0.051 1.00 0.00 C ATOM 272 CG ASP A 22 9.647 13.423 -0.811 1.00 0.00 C ATOM 273 OD1 ASP A 22 10.284 14.398 -0.358 1.00 0.00 O ATOM 274 OD2 ASP A 22 9.089 13.445 -1.924 1.00 0.00 O ATOM 0 H ASP A 22 9.645 10.619 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 22 11.613 11.719 -0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.571 11.689 -0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.448 12.490 1.097 1.00 0.00 H new ATOM 279 N LEU A 23 9.887 9.184 1.005 1.00 0.00 N ATOM 280 CA LEU A 23 9.633 8.303 2.145 1.00 0.00 C ATOM 281 C LEU A 23 8.946 9.091 3.255 1.00 0.00 C ATOM 282 O LEU A 23 9.046 8.764 4.438 1.00 0.00 O ATOM 283 CB LEU A 23 10.928 7.652 2.650 1.00 0.00 C ATOM 284 CG LEU A 23 11.625 6.730 1.645 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.826 6.051 2.282 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.652 5.688 1.108 1.00 0.00 C ATOM 0 H LEU A 23 9.413 8.899 0.148 1.00 0.00 H new ATOM 0 HA LEU A 23 8.975 7.496 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.623 8.440 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.702 7.079 3.549 1.00 0.00 H new ATOM 0 HG LEU A 23 11.975 7.340 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.306 5.401 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.536 6.807 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.498 5.457 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.166 5.043 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.271 5.086 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.821 6.188 0.610 1.00 0.00 H new ATOM 298 N ASN A 24 8.224 10.126 2.846 1.00 0.00 N ATOM 299 CA ASN A 24 7.519 10.994 3.773 1.00 0.00 C ATOM 300 C ASN A 24 6.167 10.385 4.121 1.00 0.00 C ATOM 301 O ASN A 24 5.149 10.709 3.507 1.00 0.00 O ATOM 302 CB ASN A 24 7.329 12.384 3.155 1.00 0.00 C ATOM 303 CG ASN A 24 6.864 13.428 4.155 1.00 0.00 C ATOM 304 OD1 ASN A 24 6.229 13.113 5.160 1.00 0.00 O ATOM 305 ND2 ASN A 24 7.160 14.686 3.870 1.00 0.00 N ATOM 0 H ASN A 24 8.112 10.385 1.866 1.00 0.00 H new ATOM 0 HA ASN A 24 8.109 11.096 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.271 12.709 2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.602 12.318 2.345 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.859 15.435 4.494 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.689 14.907 3.026 1.00 0.00 H new ATOM 312 N TYR A 25 6.167 9.479 5.086 1.00 0.00 N ATOM 313 CA TYR A 25 4.946 8.793 5.493 1.00 0.00 C ATOM 314 C TYR A 25 3.989 9.759 6.186 1.00 0.00 C ATOM 315 O TYR A 25 2.771 9.586 6.138 1.00 0.00 O ATOM 316 CB TYR A 25 5.276 7.617 6.417 1.00 0.00 C ATOM 317 CG TYR A 25 6.223 6.609 5.797 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.796 5.748 4.793 1.00 0.00 C ATOM 319 CD2 TYR A 25 7.546 6.524 6.215 1.00 0.00 C ATOM 320 CE1 TYR A 25 6.662 4.834 4.222 1.00 0.00 C ATOM 321 CE2 TYR A 25 8.418 5.615 5.645 1.00 0.00 C ATOM 322 CZ TYR A 25 7.970 4.772 4.651 1.00 0.00 C ATOM 323 OH TYR A 25 8.836 3.868 4.081 1.00 0.00 O ATOM 0 H TYR A 25 7.000 9.200 5.604 1.00 0.00 H new ATOM 0 HA TYR A 25 4.457 8.407 4.598 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.717 8.001 7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.351 7.112 6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.772 5.794 4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.899 7.179 6.998 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.315 4.171 3.443 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.445 5.566 5.977 1.00 0.00 H new ATOM 0 HH TYR A 25 9.758 4.107 4.313 1.00 0.00 H new ATOM 333 N GLN A 26 4.552 10.788 6.807 1.00 0.00 N ATOM 334 CA GLN A 26 3.758 11.793 7.501 1.00 0.00 C ATOM 335 C GLN A 26 2.873 12.548 6.513 1.00 0.00 C ATOM 336 O GLN A 26 1.659 12.650 6.703 1.00 0.00 O ATOM 337 CB GLN A 26 4.677 12.758 8.251 1.00 0.00 C ATOM 338 CG GLN A 26 3.940 13.845 9.016 1.00 0.00 C ATOM 339 CD GLN A 26 4.872 14.721 9.836 1.00 0.00 C ATOM 340 OE1 GLN A 26 6.112 14.850 9.391 1.00 0.00 O flip ATOM 341 NE2 GLN A 26 4.482 15.264 10.868 1.00 0.00 N flip ATOM 0 H GLN A 26 5.559 10.948 6.844 1.00 0.00 H new ATOM 0 HA GLN A 26 3.112 11.295 8.224 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.292 12.190 8.949 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.355 13.226 7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.388 14.468 8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.206 13.384 9.677 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.518 15.139 11.177 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.123 15.839 11.415 1.00 0.00 H new ATOM 350 N TRP A 27 3.478 13.062 5.450 1.00 0.00 N ATOM 351 CA TRP A 27 2.729 13.749 4.406 1.00 0.00 C ATOM 352 C TRP A 27 1.839 12.770 3.654 1.00 0.00 C ATOM 353 O TRP A 27 0.704 13.097 3.318 1.00 0.00 O ATOM 354 CB TRP A 27 3.672 14.461 3.427 1.00 0.00 C ATOM 355 CG TRP A 27 2.970 15.002 2.216 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.181 16.117 2.150 1.00 0.00 C ATOM 357 CD2 TRP A 27 2.984 14.441 0.896 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.702 16.278 0.872 1.00 0.00 N ATOM 359 CE2 TRP A 27 2.182 15.265 0.086 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.594 13.321 0.318 1.00 0.00 C ATOM 361 CZ2 TRP A 27 1.975 15.008 -1.265 1.00 0.00 C ATOM 362 CZ3 TRP A 27 3.385 13.067 -1.025 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.582 13.910 -1.802 1.00 0.00 C ATOM 0 H TRP A 27 4.484 13.016 5.288 1.00 0.00 H new ATOM 0 HA TRP A 27 2.101 14.500 4.886 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.172 15.280 3.945 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.447 13.764 3.108 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.966 16.774 2.980 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.088 17.030 0.560 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.217 12.667 0.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.355 15.655 -1.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.848 12.205 -1.481 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.440 13.687 -2.849 1.00 0.00 H new ATOM 374 N PHE A 28 2.357 11.571 3.414 1.00 0.00 N ATOM 375 CA PHE A 28 1.638 10.549 2.659 1.00 0.00 C ATOM 376 C PHE A 28 0.227 10.344 3.203 1.00 0.00 C ATOM 377 O PHE A 28 -0.754 10.501 2.477 1.00 0.00 O ATOM 378 CB PHE A 28 2.416 9.232 2.693 1.00 0.00 C ATOM 379 CG PHE A 28 1.804 8.129 1.872 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.537 8.312 0.525 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.504 6.906 2.452 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.982 7.296 -0.228 1.00 0.00 C ATOM 383 CE2 PHE A 28 0.952 5.886 1.702 1.00 0.00 C ATOM 384 CZ PHE A 28 0.689 6.081 0.360 1.00 0.00 C ATOM 0 H PHE A 28 3.281 11.280 3.734 1.00 0.00 H new ATOM 0 HA PHE A 28 1.550 10.889 1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.430 9.414 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.496 8.897 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.765 9.259 0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.704 6.749 3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.777 7.452 -1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.726 4.937 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.255 5.286 -0.228 1.00 0.00 H new ATOM 394 N TYR A 29 0.123 10.027 4.486 1.00 0.00 N ATOM 395 CA TYR A 29 -1.176 9.772 5.097 1.00 0.00 C ATOM 396 C TYR A 29 -1.970 11.062 5.301 1.00 0.00 C ATOM 397 O TYR A 29 -3.182 11.028 5.499 1.00 0.00 O ATOM 398 CB TYR A 29 -1.018 9.018 6.418 1.00 0.00 C ATOM 399 CG TYR A 29 -0.564 7.586 6.230 1.00 0.00 C ATOM 400 CD1 TYR A 29 -1.438 6.622 5.739 1.00 0.00 C ATOM 401 CD2 TYR A 29 0.735 7.199 6.530 1.00 0.00 C ATOM 402 CE1 TYR A 29 -1.029 5.316 5.551 1.00 0.00 C ATOM 403 CE2 TYR A 29 1.151 5.894 6.348 1.00 0.00 C ATOM 404 CZ TYR A 29 0.267 4.958 5.857 1.00 0.00 C ATOM 405 OH TYR A 29 0.678 3.660 5.667 1.00 0.00 O ATOM 0 H TYR A 29 0.916 9.940 5.121 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.742 9.145 4.408 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.298 9.543 7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.969 9.025 6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.454 6.899 5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.432 7.930 6.912 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.720 4.580 5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.164 5.609 6.589 1.00 0.00 H new ATOM 0 HH TYR A 29 1.618 3.573 5.930 1.00 0.00 H new ATOM 415 N SER A 30 -1.292 12.198 5.245 1.00 0.00 N ATOM 416 CA SER A 30 -1.969 13.485 5.331 1.00 0.00 C ATOM 417 C SER A 30 -2.653 13.805 4.004 1.00 0.00 C ATOM 418 O SER A 30 -3.828 14.170 3.970 1.00 0.00 O ATOM 419 CB SER A 30 -0.977 14.590 5.699 1.00 0.00 C ATOM 420 OG SER A 30 -0.380 14.338 6.963 1.00 0.00 O ATOM 0 H SER A 30 -0.279 12.256 5.141 1.00 0.00 H new ATOM 0 HA SER A 30 -2.726 13.430 6.113 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.203 14.658 4.934 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.490 15.552 5.720 1.00 0.00 H new ATOM 0 HG SER A 30 0.466 13.860 6.836 1.00 0.00 H new ATOM 426 N GLU A 31 -1.907 13.637 2.917 1.00 0.00 N ATOM 427 CA GLU A 31 -2.412 13.880 1.571 1.00 0.00 C ATOM 428 C GLU A 31 -3.494 12.854 1.230 1.00 0.00 C ATOM 429 O GLU A 31 -4.522 13.189 0.630 1.00 0.00 O ATOM 430 CB GLU A 31 -1.248 13.799 0.573 1.00 0.00 C ATOM 431 CG GLU A 31 -1.536 14.410 -0.790 1.00 0.00 C ATOM 432 CD GLU A 31 -1.903 15.878 -0.707 1.00 0.00 C ATOM 433 OE1 GLU A 31 -1.034 16.702 -0.349 1.00 0.00 O ATOM 434 OE2 GLU A 31 -3.070 16.215 -0.984 1.00 0.00 O ATOM 0 H GLU A 31 -0.935 13.328 2.945 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.855 14.874 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.381 14.300 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.976 12.752 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.660 14.294 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.350 13.862 -1.264 1.00 0.00 H new ATOM 441 N LEU A 32 -3.262 11.603 1.631 1.00 0.00 N ATOM 442 CA LEU A 32 -4.265 10.556 1.468 1.00 0.00 C ATOM 443 C LEU A 32 -5.566 10.962 2.141 1.00 0.00 C ATOM 444 O LEU A 32 -6.615 10.958 1.511 1.00 0.00 O ATOM 445 CB LEU A 32 -3.781 9.222 2.044 1.00 0.00 C ATOM 446 CG LEU A 32 -2.686 8.516 1.241 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.332 7.194 1.896 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.129 8.298 -0.198 1.00 0.00 C ATOM 0 H LEU A 32 -2.394 11.294 2.068 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.434 10.425 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.412 9.395 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.636 8.551 2.128 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.800 9.150 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.552 6.699 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.973 7.375 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.216 6.558 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.336 7.795 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.028 7.682 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.341 9.261 -0.663 1.00 0.00 H new ATOM 460 N LYS A 33 -5.485 11.356 3.409 1.00 0.00 N ATOM 461 CA LYS A 33 -6.671 11.753 4.164 1.00 0.00 C ATOM 462 C LYS A 33 -7.200 13.112 3.710 1.00 0.00 C ATOM 463 O LYS A 33 -8.178 13.616 4.260 1.00 0.00 O ATOM 464 CB LYS A 33 -6.383 11.785 5.671 1.00 0.00 C ATOM 465 CG LYS A 33 -6.160 10.410 6.285 1.00 0.00 C ATOM 466 CD LYS A 33 -6.106 10.463 7.809 1.00 0.00 C ATOM 467 CE LYS A 33 -4.721 10.815 8.345 1.00 0.00 C ATOM 468 NZ LYS A 33 -4.254 12.151 7.894 1.00 0.00 N ATOM 0 H LYS A 33 -4.613 11.409 3.935 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.437 11.003 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.501 12.399 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.217 12.269 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.962 9.740 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.229 9.990 5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.826 11.199 8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.411 9.497 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.741 10.790 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.007 10.057 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.587 12.539 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.779 12.060 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.069 12.791 7.802 1.00 0.00 H new ATOM 482 N ARG A 34 -6.546 13.710 2.721 1.00 0.00 N ATOM 483 CA ARG A 34 -7.006 14.973 2.165 1.00 0.00 C ATOM 484 C ARG A 34 -7.852 14.721 0.917 1.00 0.00 C ATOM 485 O ARG A 34 -8.647 15.566 0.510 1.00 0.00 O ATOM 486 CB ARG A 34 -5.825 15.887 1.809 1.00 0.00 C ATOM 487 CG ARG A 34 -6.206 17.359 1.756 1.00 0.00 C ATOM 488 CD ARG A 34 -5.482 18.118 0.651 1.00 0.00 C ATOM 489 NE ARG A 34 -4.029 17.979 0.716 1.00 0.00 N ATOM 490 CZ ARG A 34 -3.214 18.867 1.282 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.706 19.956 1.862 1.00 0.00 N ATOM 492 NH2 ARG A 34 -1.902 18.675 1.247 1.00 0.00 N ATOM 0 H ARG A 34 -5.698 13.341 2.290 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.611 15.471 2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.032 15.749 2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.420 15.587 0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.282 17.446 1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.981 17.823 2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.832 17.760 -0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.743 19.174 0.713 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.611 17.147 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.713 20.116 1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.076 20.632 2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.520 17.849 0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.276 19.354 1.680 1.00 0.00 H new ATOM 506 N HIS A 35 -7.666 13.554 0.305 1.00 0.00 N ATOM 507 CA HIS A 35 -8.404 13.198 -0.908 1.00 0.00 C ATOM 508 C HIS A 35 -9.214 11.932 -0.677 1.00 0.00 C ATOM 509 O HIS A 35 -10.438 11.925 -0.794 1.00 0.00 O ATOM 510 CB HIS A 35 -7.453 12.982 -2.097 1.00 0.00 C ATOM 511 CG HIS A 35 -6.619 14.176 -2.453 1.00 0.00 C ATOM 512 ND1 HIS A 35 -6.703 14.831 -3.664 1.00 0.00 N ATOM 513 CD2 HIS A 35 -5.657 14.814 -1.753 1.00 0.00 C ATOM 514 CE1 HIS A 35 -5.826 15.818 -3.687 1.00 0.00 C ATOM 515 NE2 HIS A 35 -5.179 15.828 -2.538 1.00 0.00 N ATOM 0 H HIS A 35 -7.013 12.839 0.627 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.073 14.026 -1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.790 12.147 -1.869 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.041 12.693 -2.968 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.325 14.569 -0.755 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.666 16.501 -4.508 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.443 16.484 -2.277 1.00 0.00 H new ATOM 524 N ASN A 36 -8.515 10.862 -0.337 1.00 0.00 N ATOM 525 CA ASN A 36 -9.146 9.577 -0.105 1.00 0.00 C ATOM 526 C ASN A 36 -9.525 9.428 1.358 1.00 0.00 C ATOM 527 O ASN A 36 -8.723 9.005 2.188 1.00 0.00 O ATOM 528 CB ASN A 36 -8.219 8.438 -0.527 1.00 0.00 C ATOM 529 CG ASN A 36 -8.818 7.076 -0.236 1.00 0.00 C ATOM 530 OD1 ASN A 36 -10.036 6.906 -0.246 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.964 6.103 0.035 1.00 0.00 N ATOM 0 H ASN A 36 -7.502 10.860 -0.215 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.053 9.528 -0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.007 8.520 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.267 8.534 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.308 5.167 0.247 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.961 6.289 0.032 1.00 0.00 H new ATOM 538 N VAL A 37 -10.746 9.819 1.669 1.00 0.00 N ATOM 539 CA VAL A 37 -11.261 9.712 3.024 1.00 0.00 C ATOM 540 C VAL A 37 -11.934 8.350 3.240 1.00 0.00 C ATOM 541 O VAL A 37 -12.521 8.089 4.292 1.00 0.00 O ATOM 542 CB VAL A 37 -12.265 10.855 3.324 1.00 0.00 C ATOM 543 CG1 VAL A 37 -12.508 10.997 4.821 1.00 0.00 C ATOM 544 CG2 VAL A 37 -11.774 12.172 2.732 1.00 0.00 C ATOM 0 H VAL A 37 -11.404 10.216 0.999 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.420 9.800 3.711 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.214 10.598 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.216 11.806 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.915 10.065 5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.567 11.221 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.493 12.961 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.808 12.429 3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.670 12.069 1.652 1.00 0.00 H new ATOM 554 N SER A 38 -11.844 7.476 2.241 1.00 0.00 N ATOM 555 CA SER A 38 -12.453 6.159 2.338 1.00 0.00 C ATOM 556 C SER A 38 -11.383 5.064 2.389 1.00 0.00 C ATOM 557 O SER A 38 -10.884 4.737 3.465 1.00 0.00 O ATOM 558 CB SER A 38 -13.426 5.923 1.177 1.00 0.00 C ATOM 559 OG SER A 38 -14.115 4.693 1.320 1.00 0.00 O ATOM 0 H SER A 38 -11.358 7.657 1.362 1.00 0.00 H new ATOM 0 HA SER A 38 -13.020 6.116 3.268 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.145 6.741 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.878 5.927 0.235 1.00 0.00 H new ATOM 0 HG SER A 38 -13.511 3.953 1.103 1.00 0.00 H new ATOM 565 N HIS A 39 -11.005 4.521 1.232 1.00 0.00 N ATOM 566 CA HIS A 39 -10.059 3.407 1.184 1.00 0.00 C ATOM 567 C HIS A 39 -9.567 3.159 -0.236 1.00 0.00 C ATOM 568 O HIS A 39 -10.220 3.542 -1.203 1.00 0.00 O ATOM 569 CB HIS A 39 -10.709 2.129 1.734 1.00 0.00 C ATOM 570 CG HIS A 39 -11.850 1.608 0.910 1.00 0.00 C ATOM 571 ND1 HIS A 39 -13.105 2.181 0.895 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.914 0.553 0.067 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.887 1.499 0.082 1.00 0.00 C ATOM 574 NE2 HIS A 39 -13.188 0.506 -0.435 1.00 0.00 N ATOM 0 H HIS A 39 -11.338 4.833 0.320 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.203 3.674 1.804 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.948 1.353 1.810 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -11.067 2.324 2.745 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.109 -0.128 -0.168 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.924 1.716 -0.126 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.539 -0.184 -1.100 1.00 0.00 H new ATOM 583 N TYR A 40 -8.419 2.506 -0.357 1.00 0.00 N ATOM 584 CA TYR A 40 -7.868 2.167 -1.661 1.00 0.00 C ATOM 585 C TYR A 40 -7.266 0.768 -1.634 1.00 0.00 C ATOM 586 O TYR A 40 -6.791 0.310 -0.591 1.00 0.00 O ATOM 587 CB TYR A 40 -6.808 3.193 -2.090 1.00 0.00 C ATOM 588 CG TYR A 40 -5.549 3.187 -1.246 1.00 0.00 C ATOM 589 CD1 TYR A 40 -5.473 3.919 -0.069 1.00 0.00 C ATOM 590 CD2 TYR A 40 -4.433 2.450 -1.634 1.00 0.00 C ATOM 591 CE1 TYR A 40 -4.325 3.918 0.697 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.282 2.445 -0.871 1.00 0.00 C ATOM 593 CZ TYR A 40 -3.234 3.180 0.292 1.00 0.00 C ATOM 594 OH TYR A 40 -2.092 3.175 1.058 1.00 0.00 O ATOM 0 H TYR A 40 -7.851 2.200 0.433 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.679 2.187 -2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.535 3.002 -3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.249 4.189 -2.054 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.326 4.499 0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.468 1.873 -2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.282 4.493 1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.425 1.868 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.181 2.512 1.774 1.00 0.00 H new ATOM 604 N ILE A 41 -7.306 0.089 -2.771 1.00 0.00 N ATOM 605 CA ILE A 41 -6.720 -1.239 -2.892 1.00 0.00 C ATOM 606 C ILE A 41 -5.576 -1.212 -3.899 1.00 0.00 C ATOM 607 O ILE A 41 -5.787 -0.966 -5.091 1.00 0.00 O ATOM 608 CB ILE A 41 -7.750 -2.314 -3.335 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.966 -2.358 -2.395 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.090 -3.687 -3.388 1.00 0.00 C ATOM 611 CD1 ILE A 41 -10.027 -1.315 -2.693 1.00 0.00 C ATOM 0 H ILE A 41 -7.740 0.437 -3.626 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.358 -1.512 -1.901 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.102 -2.040 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.420 -3.347 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.622 -2.226 -1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.823 -4.431 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.266 -3.667 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.708 -3.945 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.848 -1.418 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.593 -0.319 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.403 -1.458 -3.706 1.00 0.00 H new ATOM 623 N TYR A 42 -4.369 -1.440 -3.413 1.00 0.00 N ATOM 624 CA TYR A 42 -3.183 -1.467 -4.254 1.00 0.00 C ATOM 625 C TYR A 42 -2.848 -2.914 -4.600 1.00 0.00 C ATOM 626 O TYR A 42 -2.521 -3.706 -3.717 1.00 0.00 O ATOM 627 CB TYR A 42 -2.010 -0.814 -3.509 1.00 0.00 C ATOM 628 CG TYR A 42 -0.860 -0.357 -4.389 1.00 0.00 C ATOM 629 CD1 TYR A 42 -0.319 -1.181 -5.369 1.00 0.00 C ATOM 630 CD2 TYR A 42 -0.321 0.912 -4.233 1.00 0.00 C ATOM 631 CE1 TYR A 42 0.728 -0.752 -6.165 1.00 0.00 C ATOM 632 CE2 TYR A 42 0.724 1.350 -5.023 1.00 0.00 C ATOM 633 CZ TYR A 42 1.246 0.515 -5.989 1.00 0.00 C ATOM 634 OH TYR A 42 2.290 0.949 -6.778 1.00 0.00 O ATOM 0 H TYR A 42 -4.182 -1.612 -2.425 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.368 -0.912 -5.174 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.386 0.046 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.626 -1.523 -2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.723 -2.173 -5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.727 1.570 -3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.138 -1.406 -6.921 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.130 2.341 -4.885 1.00 0.00 H new ATOM 0 HH TYR A 42 2.718 0.179 -7.207 1.00 0.00 H new ATOM 644 N TYR A 43 -2.948 -3.266 -5.870 1.00 0.00 N ATOM 645 CA TYR A 43 -2.617 -4.616 -6.297 1.00 0.00 C ATOM 646 C TYR A 43 -1.137 -4.720 -6.630 1.00 0.00 C ATOM 647 O TYR A 43 -0.682 -4.189 -7.641 1.00 0.00 O ATOM 648 CB TYR A 43 -3.471 -5.025 -7.498 1.00 0.00 C ATOM 649 CG TYR A 43 -4.946 -5.148 -7.166 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.797 -4.054 -7.257 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.483 -6.361 -6.753 1.00 0.00 C ATOM 652 CE1 TYR A 43 -7.139 -4.163 -6.946 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.824 -6.478 -6.439 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.648 -5.378 -6.540 1.00 0.00 C ATOM 655 OH TYR A 43 -8.985 -5.484 -6.225 1.00 0.00 O ATOM 0 H TYR A 43 -3.253 -2.643 -6.618 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.833 -5.300 -5.477 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.344 -4.291 -8.293 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.111 -5.979 -7.884 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.403 -3.101 -7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.842 -7.227 -6.676 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.785 -3.301 -7.021 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.224 -7.428 -6.116 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.186 -6.405 -5.958 1.00 0.00 H new ATOM 665 N LEU A 44 -0.389 -5.390 -5.763 1.00 0.00 N ATOM 666 CA LEU A 44 1.052 -5.524 -5.930 1.00 0.00 C ATOM 667 C LEU A 44 1.361 -6.368 -7.160 1.00 0.00 C ATOM 668 O LEU A 44 0.598 -7.274 -7.495 1.00 0.00 O ATOM 669 CB LEU A 44 1.695 -6.156 -4.686 1.00 0.00 C ATOM 670 CG LEU A 44 1.707 -5.289 -3.416 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.315 -5.166 -2.816 1.00 0.00 C ATOM 672 CD2 LEU A 44 2.673 -5.864 -2.390 1.00 0.00 C ATOM 0 H LEU A 44 -0.759 -5.852 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 44 1.472 -4.527 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.170 -7.085 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.724 -6.422 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 44 2.042 -4.291 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.358 -4.547 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.355 -4.706 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.058 -6.157 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.670 -5.239 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.364 -6.875 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.678 -5.890 -2.811 1.00 0.00 H new ATOM 684 N ALA A 45 2.462 -6.032 -7.843 1.00 0.00 N ATOM 685 CA ALA A 45 2.911 -6.738 -9.053 1.00 0.00 C ATOM 686 C ALA A 45 2.085 -6.318 -10.262 1.00 0.00 C ATOM 687 O ALA A 45 2.613 -6.155 -11.364 1.00 0.00 O ATOM 688 CB ALA A 45 2.877 -8.252 -8.871 1.00 0.00 C ATOM 0 H ALA A 45 3.070 -5.259 -7.572 1.00 0.00 H new ATOM 0 HA ALA A 45 3.949 -6.455 -9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.216 -8.736 -9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.533 -8.534 -8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.858 -8.569 -8.649 1.00 0.00 H new ATOM 694 N THR A 46 0.789 -6.155 -10.053 1.00 0.00 N ATOM 695 CA THR A 46 -0.089 -5.627 -11.075 1.00 0.00 C ATOM 696 C THR A 46 0.084 -4.111 -11.158 1.00 0.00 C ATOM 697 O THR A 46 -0.090 -3.513 -12.218 1.00 0.00 O ATOM 698 CB THR A 46 -1.559 -5.971 -10.759 1.00 0.00 C ATOM 699 OG1 THR A 46 -1.652 -7.339 -10.342 1.00 0.00 O ATOM 700 CG2 THR A 46 -2.448 -5.754 -11.974 1.00 0.00 C ATOM 0 H THR A 46 0.322 -6.384 -9.176 1.00 0.00 H new ATOM 0 HA THR A 46 0.171 -6.079 -12.032 1.00 0.00 H new ATOM 0 HB THR A 46 -1.899 -5.311 -9.961 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.586 -7.557 -10.140 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.478 -6.005 -11.721 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.394 -4.710 -12.283 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.110 -6.392 -12.791 1.00 0.00 H new ATOM 708 N GLU A 47 0.427 -3.512 -10.010 1.00 0.00 N ATOM 709 CA GLU A 47 0.684 -2.074 -9.884 1.00 0.00 C ATOM 710 C GLU A 47 -0.538 -1.249 -10.281 1.00 0.00 C ATOM 711 O GLU A 47 -0.426 -0.072 -10.634 1.00 0.00 O ATOM 712 CB GLU A 47 1.909 -1.669 -10.707 1.00 0.00 C ATOM 713 CG GLU A 47 3.181 -2.413 -10.320 1.00 0.00 C ATOM 714 CD GLU A 47 3.510 -2.305 -8.842 1.00 0.00 C ATOM 715 OE1 GLU A 47 4.101 -1.282 -8.437 1.00 0.00 O ATOM 716 OE2 GLU A 47 3.189 -3.241 -8.076 1.00 0.00 O ATOM 0 H GLU A 47 0.535 -4.020 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 47 0.892 -1.865 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.702 -1.847 -11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.076 -0.598 -10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.074 -3.465 -10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.015 -2.020 -10.901 1.00 0.00 H new ATOM 723 N ASN A 48 -1.703 -1.870 -10.191 1.00 0.00 N ATOM 724 CA ASN A 48 -2.966 -1.209 -10.475 1.00 0.00 C ATOM 725 C ASN A 48 -3.678 -0.872 -9.176 1.00 0.00 C ATOM 726 O ASN A 48 -4.136 -1.758 -8.455 1.00 0.00 O ATOM 727 CB ASN A 48 -3.846 -2.103 -11.356 1.00 0.00 C ATOM 728 CG ASN A 48 -3.555 -1.939 -12.839 1.00 0.00 C ATOM 729 OD1 ASN A 48 -4.291 -1.260 -13.553 1.00 0.00 O ATOM 730 ND2 ASN A 48 -2.465 -2.527 -13.311 1.00 0.00 N ATOM 0 H ASN A 48 -1.799 -2.848 -9.919 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.769 -0.283 -11.015 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.695 -3.145 -11.074 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.894 -1.871 -11.168 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.215 -2.423 -14.294 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.876 -3.083 -12.691 1.00 0.00 H new ATOM 737 N VAL A 49 -3.747 0.410 -8.868 1.00 0.00 N ATOM 738 CA VAL A 49 -4.325 0.861 -7.613 1.00 0.00 C ATOM 739 C VAL A 49 -5.751 1.352 -7.823 1.00 0.00 C ATOM 740 O VAL A 49 -6.001 2.181 -8.693 1.00 0.00 O ATOM 741 CB VAL A 49 -3.498 2.008 -7.001 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.843 2.201 -5.535 1.00 0.00 C ATOM 743 CG2 VAL A 49 -2.011 1.762 -7.180 1.00 0.00 C ATOM 0 H VAL A 49 -3.409 1.160 -9.471 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.323 0.009 -6.933 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.752 2.926 -7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.246 3.016 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.902 2.442 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.629 1.283 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.450 2.586 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.734 0.830 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.779 1.693 -8.243 1.00 0.00 H new ATOM 753 N HIS A 50 -6.684 0.842 -7.036 1.00 0.00 N ATOM 754 CA HIS A 50 -8.070 1.284 -7.119 1.00 0.00 C ATOM 755 C HIS A 50 -8.444 2.085 -5.879 1.00 0.00 C ATOM 756 O HIS A 50 -8.590 1.530 -4.789 1.00 0.00 O ATOM 757 CB HIS A 50 -9.020 0.094 -7.298 1.00 0.00 C ATOM 758 CG HIS A 50 -8.990 -0.498 -8.675 1.00 0.00 C ATOM 759 ND1 HIS A 50 -10.112 -0.617 -9.467 1.00 0.00 N ATOM 760 CD2 HIS A 50 -7.968 -1.012 -9.401 1.00 0.00 C ATOM 761 CE1 HIS A 50 -9.780 -1.179 -10.613 1.00 0.00 C ATOM 762 NE2 HIS A 50 -8.488 -1.428 -10.599 1.00 0.00 N ATOM 0 H HIS A 50 -6.510 0.123 -6.334 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.170 1.926 -7.994 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.761 -0.679 -6.574 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.037 0.415 -7.072 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.935 -1.081 -9.093 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.455 -1.398 -11.427 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -7.959 -1.860 -11.357 1.00 0.00 H new ATOM 771 N ILE A 51 -8.573 3.390 -6.053 1.00 0.00 N ATOM 772 CA ILE A 51 -8.876 4.293 -4.954 1.00 0.00 C ATOM 773 C ILE A 51 -10.335 4.726 -5.019 1.00 0.00 C ATOM 774 O ILE A 51 -10.735 5.432 -5.945 1.00 0.00 O ATOM 775 CB ILE A 51 -7.990 5.565 -4.981 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.497 5.219 -5.032 1.00 0.00 C ATOM 777 CG2 ILE A 51 -8.281 6.434 -3.768 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.977 4.959 -6.429 1.00 0.00 C ATOM 0 H ILE A 51 -8.471 3.852 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.675 3.747 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.235 6.116 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.929 6.037 -4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.317 4.337 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.652 7.324 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.330 6.730 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.070 5.872 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.914 4.721 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.518 4.121 -6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.124 5.848 -7.043 1.00 0.00 H new ATOM 790 N VAL A 52 -11.130 4.299 -4.055 1.00 0.00 N ATOM 791 CA VAL A 52 -12.518 4.720 -3.997 1.00 0.00 C ATOM 792 C VAL A 52 -12.658 5.866 -3.011 1.00 0.00 C ATOM 793 O VAL A 52 -12.421 5.698 -1.814 1.00 0.00 O ATOM 794 CB VAL A 52 -13.468 3.581 -3.579 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.915 4.001 -3.796 1.00 0.00 C ATOM 796 CG2 VAL A 52 -13.159 2.295 -4.333 1.00 0.00 C ATOM 0 H VAL A 52 -10.842 3.667 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.800 5.033 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.315 3.382 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.578 3.189 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.131 4.885 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.073 4.230 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.847 1.512 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.273 2.465 -5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.135 1.986 -4.122 1.00 0.00 H new ATOM 806 N LEU A 53 -13.029 7.030 -3.516 1.00 0.00 N ATOM 807 CA LEU A 53 -13.157 8.205 -2.679 1.00 0.00 C ATOM 808 C LEU A 53 -14.408 8.115 -1.821 1.00 0.00 C ATOM 809 O LEU A 53 -15.283 7.281 -2.059 1.00 0.00 O ATOM 810 CB LEU A 53 -13.203 9.475 -3.533 1.00 0.00 C ATOM 811 CG LEU A 53 -11.962 9.734 -4.391 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.095 11.052 -5.134 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.707 9.731 -3.531 1.00 0.00 C ATOM 0 H LEU A 53 -13.246 7.184 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.284 8.252 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.072 9.421 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.354 10.330 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.878 8.932 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.204 11.220 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.972 11.018 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.205 11.865 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.835 9.917 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.782 10.512 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.603 8.762 -3.043 1.00 0.00 H new ATOM 825 N LYS A 54 -14.494 8.991 -0.833 1.00 0.00 N ATOM 826 CA LYS A 54 -15.644 9.043 0.058 1.00 0.00 C ATOM 827 C LYS A 54 -16.883 9.513 -0.701 1.00 0.00 C ATOM 828 O LYS A 54 -18.016 9.290 -0.273 1.00 0.00 O ATOM 829 CB LYS A 54 -15.343 9.991 1.227 1.00 0.00 C ATOM 830 CG LYS A 54 -16.478 10.132 2.228 1.00 0.00 C ATOM 831 CD LYS A 54 -16.162 11.179 3.285 1.00 0.00 C ATOM 832 CE LYS A 54 -17.352 11.434 4.199 1.00 0.00 C ATOM 833 NZ LYS A 54 -18.514 12.013 3.469 1.00 0.00 N ATOM 0 H LYS A 54 -13.774 9.683 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.840 8.044 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.456 9.634 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.102 10.976 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.394 10.407 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.662 9.171 2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.310 10.850 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.870 12.110 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.652 10.498 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.054 12.112 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.187 12.417 4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.183 12.760 2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.985 11.267 2.919 1.00 0.00 H new ATOM 847 N ASN A 55 -16.660 10.129 -1.851 1.00 0.00 N ATOM 848 CA ASN A 55 -17.739 10.737 -2.603 1.00 0.00 C ATOM 849 C ASN A 55 -17.841 10.125 -3.991 1.00 0.00 C ATOM 850 O ASN A 55 -17.661 10.807 -5.001 1.00 0.00 O ATOM 851 CB ASN A 55 -17.547 12.255 -2.687 1.00 0.00 C ATOM 852 CG ASN A 55 -17.559 12.912 -1.320 1.00 0.00 C ATOM 853 OD1 ASN A 55 -16.518 13.067 -0.680 1.00 0.00 O ATOM 854 ND2 ASN A 55 -18.738 13.293 -0.856 1.00 0.00 N ATOM 0 H ASN A 55 -15.740 10.220 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.675 10.541 -2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.602 12.473 -3.184 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.337 12.686 -3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.807 13.732 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -19.578 13.147 -1.416 1.00 0.00 H new ATOM 861 N ASP A 56 -18.060 8.811 -4.010 1.00 0.00 N ATOM 862 CA ASP A 56 -18.458 8.077 -5.220 1.00 0.00 C ATOM 863 C ASP A 56 -17.287 7.779 -6.155 1.00 0.00 C ATOM 864 O ASP A 56 -17.072 6.627 -6.538 1.00 0.00 O ATOM 865 CB ASP A 56 -19.557 8.838 -5.977 1.00 0.00 C ATOM 866 CG ASP A 56 -20.038 8.111 -7.218 1.00 0.00 C ATOM 867 OD1 ASP A 56 -19.423 8.278 -8.291 1.00 0.00 O ATOM 868 OD2 ASP A 56 -21.052 7.389 -7.129 1.00 0.00 O ATOM 0 H ASP A 56 -17.967 8.219 -3.185 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.845 7.116 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -20.403 9.003 -5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.180 9.820 -6.262 1.00 0.00 H new ATOM 873 N ASN A 57 -16.540 8.815 -6.517 1.00 0.00 N ATOM 874 CA ASN A 57 -15.478 8.701 -7.516 1.00 0.00 C ATOM 875 C ASN A 57 -14.475 7.606 -7.173 1.00 0.00 C ATOM 876 O ASN A 57 -13.979 7.522 -6.051 1.00 0.00 O ATOM 877 CB ASN A 57 -14.754 10.041 -7.678 1.00 0.00 C ATOM 878 CG ASN A 57 -13.648 9.996 -8.718 1.00 0.00 C ATOM 879 OD1 ASN A 57 -12.592 10.760 -8.484 1.00 0.00 O flip ATOM 880 ND2 ASN A 57 -13.736 9.281 -9.719 1.00 0.00 N flip ATOM 0 H ASN A 57 -16.650 9.753 -6.131 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.953 8.426 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.477 10.807 -7.958 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.331 10.337 -6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.566 8.706 -9.864 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.979 9.264 -10.402 1.00 0.00 H new ATOM 887 N THR A 58 -14.191 6.772 -8.159 1.00 0.00 N ATOM 888 CA THR A 58 -13.240 5.689 -8.008 1.00 0.00 C ATOM 889 C THR A 58 -12.129 5.827 -9.047 1.00 0.00 C ATOM 890 O THR A 58 -12.376 5.733 -10.250 1.00 0.00 O ATOM 891 CB THR A 58 -13.936 4.323 -8.162 1.00 0.00 C ATOM 892 OG1 THR A 58 -15.067 4.257 -7.281 1.00 0.00 O ATOM 893 CG2 THR A 58 -12.974 3.184 -7.853 1.00 0.00 C ATOM 0 H THR A 58 -14.614 6.828 -9.085 1.00 0.00 H new ATOM 0 HA THR A 58 -12.810 5.744 -7.008 1.00 0.00 H new ATOM 0 HB THR A 58 -14.269 4.219 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.510 3.388 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.490 2.231 -7.969 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.129 3.225 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.614 3.280 -6.829 1.00 0.00 H new ATOM 901 N VAL A 59 -10.916 6.070 -8.579 1.00 0.00 N ATOM 902 CA VAL A 59 -9.779 6.277 -9.464 1.00 0.00 C ATOM 903 C VAL A 59 -8.949 5.001 -9.564 1.00 0.00 C ATOM 904 O VAL A 59 -8.780 4.289 -8.577 1.00 0.00 O ATOM 905 CB VAL A 59 -8.881 7.428 -8.957 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.799 7.769 -9.972 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.714 8.654 -8.622 1.00 0.00 C ATOM 0 H VAL A 59 -10.692 6.129 -7.586 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.168 6.541 -10.447 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.388 7.091 -8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.183 8.582 -9.588 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.175 6.893 -10.147 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.263 8.077 -10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.061 9.452 -8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.244 8.989 -9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.435 8.402 -7.844 1.00 0.00 H new ATOM 917 N LEU A 60 -8.441 4.708 -10.751 1.00 0.00 N ATOM 918 CA LEU A 60 -7.597 3.540 -10.941 1.00 0.00 C ATOM 919 C LEU A 60 -6.250 3.942 -11.532 1.00 0.00 C ATOM 920 O LEU A 60 -6.175 4.496 -12.626 1.00 0.00 O ATOM 921 CB LEU A 60 -8.282 2.477 -11.824 1.00 0.00 C ATOM 922 CG LEU A 60 -8.612 2.892 -13.267 1.00 0.00 C ATOM 923 CD1 LEU A 60 -8.864 1.661 -14.121 1.00 0.00 C ATOM 924 CD2 LEU A 60 -9.827 3.805 -13.306 1.00 0.00 C ATOM 0 H LEU A 60 -8.598 5.261 -11.594 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.430 3.093 -9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.638 1.598 -11.861 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.208 2.174 -11.336 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.758 3.438 -13.667 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.097 1.967 -15.141 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.973 1.032 -14.125 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.703 1.099 -13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.039 4.084 -14.338 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.687 3.284 -12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.626 4.703 -12.721 1.00 0.00 H new ATOM 936 N LEU A 61 -5.194 3.683 -10.784 1.00 0.00 N ATOM 937 CA LEU A 61 -3.847 3.974 -11.239 1.00 0.00 C ATOM 938 C LEU A 61 -3.266 2.740 -11.904 1.00 0.00 C ATOM 939 O LEU A 61 -2.865 1.793 -11.229 1.00 0.00 O ATOM 940 CB LEU A 61 -2.955 4.399 -10.069 1.00 0.00 C ATOM 941 CG LEU A 61 -3.548 5.466 -9.147 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.575 5.795 -8.027 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.903 6.716 -9.933 1.00 0.00 C ATOM 0 H LEU A 61 -5.244 3.269 -9.853 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.889 4.796 -11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.721 3.517 -9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.012 4.772 -10.469 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.463 5.072 -8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.010 6.556 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.372 4.896 -7.446 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.644 6.170 -8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.323 7.463 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.005 7.117 -10.404 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.636 6.467 -10.701 1.00 0.00 H new ATOM 955 N LYS A 62 -3.259 2.735 -13.225 1.00 0.00 N ATOM 956 CA LYS A 62 -2.766 1.593 -13.970 1.00 0.00 C ATOM 957 C LYS A 62 -1.272 1.722 -14.230 1.00 0.00 C ATOM 958 O LYS A 62 -0.846 2.463 -15.119 1.00 0.00 O ATOM 959 CB LYS A 62 -3.522 1.451 -15.294 1.00 0.00 C ATOM 960 CG LYS A 62 -5.025 1.282 -15.124 1.00 0.00 C ATOM 961 CD LYS A 62 -5.707 0.943 -16.439 1.00 0.00 C ATOM 962 CE LYS A 62 -5.171 -0.354 -17.033 1.00 0.00 C ATOM 963 NZ LYS A 62 -5.294 -1.497 -16.088 1.00 0.00 N ATOM 0 H LYS A 62 -3.589 3.508 -13.802 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.936 0.698 -13.371 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.331 2.331 -15.908 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.128 0.592 -15.837 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.222 0.493 -14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.451 2.200 -14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.782 0.854 -16.279 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.557 1.757 -17.148 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.713 -0.583 -17.950 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.124 -0.221 -17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.078 -2.384 -16.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.626 -1.370 -15.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.264 -1.537 -15.716 1.00 0.00 H new ATOM 1039 N ILE A 67 7.956 -5.294 -11.974 1.00 0.00 N ATOM 1040 CA ILE A 67 8.396 -5.740 -10.662 1.00 0.00 C ATOM 1041 C ILE A 67 8.003 -7.196 -10.446 1.00 0.00 C ATOM 1042 O ILE A 67 8.835 -8.091 -10.573 1.00 0.00 O ATOM 1043 CB ILE A 67 7.800 -4.868 -9.527 1.00 0.00 C ATOM 1044 CG1 ILE A 67 8.097 -3.384 -9.773 1.00 0.00 C ATOM 1045 CG2 ILE A 67 8.355 -5.299 -8.175 1.00 0.00 C ATOM 1046 CD1 ILE A 67 7.519 -2.462 -8.720 1.00 0.00 C ATOM 0 HA ILE A 67 9.481 -5.641 -10.629 1.00 0.00 H new ATOM 0 HB ILE A 67 6.719 -5.009 -9.521 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.177 -3.241 -9.814 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.700 -3.101 -10.748 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.926 -4.676 -7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.098 -6.342 -7.992 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.439 -5.187 -8.174 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.771 -1.430 -8.963 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.435 -2.574 -8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.934 -2.717 -7.745 1.00 0.00 H new ATOM 1058 N VAL A 68 6.720 -7.416 -10.161 1.00 0.00 N ATOM 1059 CA VAL A 68 6.178 -8.752 -9.882 1.00 0.00 C ATOM 1060 C VAL A 68 7.019 -9.500 -8.844 1.00 0.00 C ATOM 1061 O VAL A 68 7.913 -10.277 -9.185 1.00 0.00 O ATOM 1062 CB VAL A 68 6.048 -9.609 -11.165 1.00 0.00 C ATOM 1063 CG1 VAL A 68 5.372 -10.939 -10.862 1.00 0.00 C ATOM 1064 CG2 VAL A 68 5.273 -8.854 -12.233 1.00 0.00 C ATOM 0 H VAL A 68 6.023 -6.673 -10.116 1.00 0.00 H new ATOM 0 HA VAL A 68 5.180 -8.594 -9.474 1.00 0.00 H new ATOM 0 HB VAL A 68 7.051 -9.813 -11.540 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.292 -11.524 -11.779 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.964 -11.490 -10.131 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.376 -10.757 -10.459 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.191 -9.471 -13.128 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.275 -8.620 -11.861 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.796 -7.929 -12.477 1.00 0.00 H new ATOM 1074 N SER A 69 6.750 -9.238 -7.575 1.00 0.00 N ATOM 1075 CA SER A 69 7.472 -9.894 -6.496 1.00 0.00 C ATOM 1076 C SER A 69 6.597 -10.945 -5.824 1.00 0.00 C ATOM 1077 O SER A 69 7.099 -11.846 -5.145 1.00 0.00 O ATOM 1078 CB SER A 69 7.913 -8.858 -5.467 1.00 0.00 C ATOM 1079 OG SER A 69 8.468 -7.727 -6.111 1.00 0.00 O ATOM 0 H SER A 69 6.038 -8.576 -7.267 1.00 0.00 H new ATOM 0 HA SER A 69 8.349 -10.388 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.061 -8.556 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.648 -9.297 -4.792 1.00 0.00 H new ATOM 0 HG SER A 69 9.395 -7.918 -6.367 1.00 0.00 H new ATOM 1085 N VAL A 70 5.292 -10.832 -6.045 1.00 0.00 N ATOM 1086 CA VAL A 70 4.311 -11.672 -5.370 1.00 0.00 C ATOM 1087 C VAL A 70 4.552 -13.151 -5.647 1.00 0.00 C ATOM 1088 O VAL A 70 4.708 -13.571 -6.796 1.00 0.00 O ATOM 1089 CB VAL A 70 2.870 -11.299 -5.785 1.00 0.00 C ATOM 1090 CG1 VAL A 70 1.852 -12.161 -5.050 1.00 0.00 C ATOM 1091 CG2 VAL A 70 2.608 -9.822 -5.527 1.00 0.00 C ATOM 0 H VAL A 70 4.886 -10.158 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 70 4.429 -11.493 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 70 2.763 -11.488 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.846 -11.879 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.024 -13.211 -5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.957 -12.011 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.589 -9.576 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.737 -9.609 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.310 -9.221 -6.105 1.00 0.00 H new ATOM 1101 N LYS A 71 4.604 -13.924 -4.574 1.00 0.00 N ATOM 1102 CA LYS A 71 4.779 -15.362 -4.660 1.00 0.00 C ATOM 1103 C LYS A 71 3.579 -16.051 -4.026 1.00 0.00 C ATOM 1104 O LYS A 71 2.898 -15.464 -3.183 1.00 0.00 O ATOM 1105 CB LYS A 71 6.067 -15.783 -3.947 1.00 0.00 C ATOM 1106 CG LYS A 71 7.328 -15.178 -4.547 1.00 0.00 C ATOM 1107 CD LYS A 71 7.610 -15.737 -5.932 1.00 0.00 C ATOM 1108 CE LYS A 71 8.793 -15.038 -6.589 1.00 0.00 C ATOM 1109 NZ LYS A 71 8.474 -13.633 -6.960 1.00 0.00 N ATOM 0 H LYS A 71 4.526 -13.571 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 71 4.854 -15.655 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.001 -15.495 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.148 -16.870 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.221 -14.095 -4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.176 -15.379 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.813 -16.806 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.725 -15.622 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.644 -15.049 -5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.091 -15.590 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.321 -13.178 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.712 -13.625 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.166 -13.112 -6.114 1.00 0.00 H new ATOM 1123 N PHE A 72 3.309 -17.282 -4.433 1.00 0.00 N ATOM 1124 CA PHE A 72 2.183 -18.021 -3.887 1.00 0.00 C ATOM 1125 C PHE A 72 2.540 -18.600 -2.524 1.00 0.00 C ATOM 1126 O PHE A 72 2.907 -19.772 -2.404 1.00 0.00 O ATOM 1127 CB PHE A 72 1.732 -19.128 -4.845 1.00 0.00 C ATOM 1128 CG PHE A 72 1.204 -18.608 -6.151 1.00 0.00 C ATOM 1129 CD1 PHE A 72 -0.128 -18.256 -6.281 1.00 0.00 C ATOM 1130 CD2 PHE A 72 2.041 -18.470 -7.245 1.00 0.00 C ATOM 1131 CE1 PHE A 72 -0.617 -17.776 -7.480 1.00 0.00 C ATOM 1132 CE2 PHE A 72 1.560 -17.991 -8.446 1.00 0.00 C ATOM 1133 CZ PHE A 72 0.228 -17.645 -8.564 1.00 0.00 C ATOM 0 H PHE A 72 3.850 -17.787 -5.135 1.00 0.00 H new ATOM 0 HA PHE A 72 1.350 -17.329 -3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.573 -19.794 -5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.959 -19.725 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.792 -18.358 -5.436 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.083 -18.741 -7.157 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.658 -17.504 -7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.223 -17.887 -9.292 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.152 -17.272 -9.504 1.00 0.00 H new ATOM 1143 N SER A 73 2.480 -17.749 -1.513 1.00 0.00 N ATOM 1144 CA SER A 73 2.760 -18.134 -0.140 1.00 0.00 C ATOM 1145 C SER A 73 1.938 -17.268 0.808 1.00 0.00 C ATOM 1146 O SER A 73 1.240 -16.354 0.362 1.00 0.00 O ATOM 1147 CB SER A 73 4.255 -17.975 0.160 1.00 0.00 C ATOM 1148 OG SER A 73 5.038 -18.733 -0.748 1.00 0.00 O ATOM 0 H SER A 73 2.234 -16.765 -1.623 1.00 0.00 H new ATOM 0 HA SER A 73 2.488 -19.180 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.533 -16.923 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.461 -18.297 1.181 1.00 0.00 H new ATOM 0 HG SER A 73 5.988 -18.615 -0.538 1.00 0.00 H new ATOM 1154 N LYS A 74 2.002 -17.561 2.099 1.00 0.00 N ATOM 1155 CA LYS A 74 1.297 -16.763 3.093 1.00 0.00 C ATOM 1156 C LYS A 74 2.020 -16.798 4.442 1.00 0.00 C ATOM 1157 O LYS A 74 1.859 -17.730 5.232 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.156 -17.245 3.234 1.00 0.00 C ATOM 1159 CG LYS A 74 -0.282 -18.704 3.649 1.00 0.00 C ATOM 1160 CD LYS A 74 -1.727 -19.144 3.749 1.00 0.00 C ATOM 1161 CE LYS A 74 -1.840 -20.504 4.416 1.00 0.00 C ATOM 1162 NZ LYS A 74 -3.213 -21.058 4.317 1.00 0.00 N ATOM 0 H LYS A 74 2.533 -18.343 2.482 1.00 0.00 H new ATOM 0 HA LYS A 74 1.284 -15.728 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.666 -16.623 3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.670 -17.102 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.239 -19.332 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.209 -18.851 4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.296 -18.408 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.167 -19.186 2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.136 -21.195 3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.558 -20.418 5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.247 -21.986 4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.882 -20.412 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.473 -21.165 3.316 1.00 0.00 H new ATOM 1176 N ASP A 75 2.840 -15.793 4.698 1.00 0.00 N ATOM 1177 CA ASP A 75 3.525 -15.693 5.979 1.00 0.00 C ATOM 1178 C ASP A 75 3.381 -14.303 6.570 1.00 0.00 C ATOM 1179 O ASP A 75 3.607 -13.301 5.895 1.00 0.00 O ATOM 1180 CB ASP A 75 5.007 -16.048 5.861 1.00 0.00 C ATOM 1181 CG ASP A 75 5.717 -15.899 7.193 1.00 0.00 C ATOM 1182 OD1 ASP A 75 5.193 -16.408 8.206 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.789 -15.263 7.241 1.00 0.00 O ATOM 0 H ASP A 75 3.048 -15.039 4.043 1.00 0.00 H new ATOM 0 HA ASP A 75 3.051 -16.414 6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.110 -17.073 5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.480 -15.403 5.120 1.00 0.00 H new ATOM 1188 N ARG A 76 3.008 -14.258 7.838 1.00 0.00 N ATOM 1189 CA ARG A 76 2.817 -13.000 8.543 1.00 0.00 C ATOM 1190 C ARG A 76 4.064 -12.618 9.334 1.00 0.00 C ATOM 1191 O ARG A 76 4.208 -11.477 9.767 1.00 0.00 O ATOM 1192 CB ARG A 76 1.609 -13.094 9.474 1.00 0.00 C ATOM 1193 CG ARG A 76 0.281 -13.017 8.744 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.883 -13.326 9.666 1.00 0.00 C ATOM 1195 NE ARG A 76 -1.030 -14.757 9.914 1.00 0.00 N ATOM 1196 CZ ARG A 76 -2.111 -15.304 10.469 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -3.116 -14.535 10.872 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -2.181 -16.618 10.620 1.00 0.00 N ATOM 0 H ARG A 76 2.830 -15.087 8.406 1.00 0.00 H new ATOM 0 HA ARG A 76 2.635 -12.222 7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.658 -14.032 10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.660 -12.289 10.207 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.156 -12.021 8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.282 -13.720 7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.739 -12.808 10.614 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.803 -12.939 9.228 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.262 -15.373 9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.062 -13.523 10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.942 -14.956 11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.409 -17.209 10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.007 -17.039 11.045 1.00 0.00 H new ATOM 1212 N HIS A 77 4.975 -13.572 9.500 1.00 0.00 N ATOM 1213 CA HIS A 77 6.199 -13.327 10.259 1.00 0.00 C ATOM 1214 C HIS A 77 7.114 -12.394 9.488 1.00 0.00 C ATOM 1215 O HIS A 77 7.575 -11.387 10.021 1.00 0.00 O ATOM 1216 CB HIS A 77 6.936 -14.634 10.562 1.00 0.00 C ATOM 1217 CG HIS A 77 6.132 -15.620 11.350 1.00 0.00 C ATOM 1218 ND1 HIS A 77 5.404 -16.629 10.763 1.00 0.00 N ATOM 1219 CD2 HIS A 77 5.950 -15.755 12.683 1.00 0.00 C ATOM 1220 CE1 HIS A 77 4.809 -17.341 11.699 1.00 0.00 C ATOM 1221 NE2 HIS A 77 5.124 -16.833 12.872 1.00 0.00 N ATOM 0 H HIS A 77 4.891 -14.516 9.123 1.00 0.00 H new ATOM 0 HA HIS A 77 5.918 -12.864 11.205 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.237 -15.096 9.621 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.849 -14.405 11.111 1.00 0.00 H new ATOM 0 HD1 HIS A 77 5.335 -16.800 9.760 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.376 -15.131 13.455 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.171 -18.196 11.532 1.00 0.00 H new ATOM 1230 N LEU A 78 7.354 -12.726 8.221 1.00 0.00 N ATOM 1231 CA LEU A 78 8.185 -11.902 7.353 1.00 0.00 C ATOM 1232 C LEU A 78 7.614 -10.490 7.239 1.00 0.00 C ATOM 1233 O LEU A 78 8.363 -9.516 7.131 1.00 0.00 O ATOM 1234 CB LEU A 78 8.299 -12.540 5.965 1.00 0.00 C ATOM 1235 CG LEU A 78 9.192 -11.789 4.973 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.624 -11.723 5.483 1.00 0.00 C ATOM 1237 CD2 LEU A 78 9.144 -12.453 3.606 1.00 0.00 C ATOM 0 H LEU A 78 6.982 -13.564 7.774 1.00 0.00 H new ATOM 0 HA LEU A 78 9.180 -11.836 7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.683 -13.554 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.300 -12.624 5.538 1.00 0.00 H new ATOM 0 HG LEU A 78 8.816 -10.771 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.242 -11.186 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.646 -11.202 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.012 -12.734 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.784 -11.907 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.494 -13.482 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.119 -12.447 3.234 1.00 0.00 H new ATOM 1249 N ILE A 79 6.288 -10.382 7.277 1.00 0.00 N ATOM 1250 CA ILE A 79 5.629 -9.081 7.254 1.00 0.00 C ATOM 1251 C ILE A 79 6.047 -8.255 8.469 1.00 0.00 C ATOM 1252 O ILE A 79 6.437 -7.093 8.337 1.00 0.00 O ATOM 1253 CB ILE A 79 4.089 -9.218 7.235 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.639 -10.007 6.003 1.00 0.00 C ATOM 1255 CG2 ILE A 79 3.431 -7.844 7.258 1.00 0.00 C ATOM 1256 CD1 ILE A 79 2.147 -10.262 5.955 1.00 0.00 C ATOM 0 H ILE A 79 5.651 -11.178 7.324 1.00 0.00 H new ATOM 0 HA ILE A 79 5.939 -8.577 6.339 1.00 0.00 H new ATOM 0 HB ILE A 79 3.779 -9.763 8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.935 -9.463 5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.163 -10.963 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.347 -7.959 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.728 -7.313 8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.746 -7.275 6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.903 -10.826 5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.847 -10.834 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.615 -9.310 5.942 1.00 0.00 H new ATOM 1268 N GLU A 80 5.988 -8.874 9.645 1.00 0.00 N ATOM 1269 CA GLU A 80 6.386 -8.212 10.884 1.00 0.00 C ATOM 1270 C GLU A 80 7.877 -7.891 10.860 1.00 0.00 C ATOM 1271 O GLU A 80 8.287 -6.779 11.197 1.00 0.00 O ATOM 1272 CB GLU A 80 6.054 -9.094 12.090 1.00 0.00 C ATOM 1273 CG GLU A 80 6.374 -8.442 13.424 1.00 0.00 C ATOM 1274 CD GLU A 80 6.152 -9.372 14.598 1.00 0.00 C ATOM 1275 OE1 GLU A 80 7.064 -10.167 14.911 1.00 0.00 O ATOM 1276 OE2 GLU A 80 5.072 -9.309 15.219 1.00 0.00 O ATOM 0 H GLU A 80 5.668 -9.835 9.766 1.00 0.00 H new ATOM 0 HA GLU A 80 5.830 -7.279 10.971 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.994 -9.348 12.064 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.608 -10.029 12.010 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.412 -8.109 13.421 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.754 -7.554 13.547 1.00 0.00 H new ATOM 1283 N THR A 81 8.681 -8.865 10.439 1.00 0.00 N ATOM 1284 CA THR A 81 10.122 -8.684 10.335 1.00 0.00 C ATOM 1285 C THR A 81 10.462 -7.481 9.452 1.00 0.00 C ATOM 1286 O THR A 81 11.265 -6.628 9.830 1.00 0.00 O ATOM 1287 CB THR A 81 10.794 -9.945 9.757 1.00 0.00 C ATOM 1288 OG1 THR A 81 10.400 -11.099 10.511 1.00 0.00 O ATOM 1289 CG2 THR A 81 12.309 -9.816 9.783 1.00 0.00 C ATOM 0 H THR A 81 8.354 -9.791 10.164 1.00 0.00 H new ATOM 0 HA THR A 81 10.501 -8.505 11.341 1.00 0.00 H new ATOM 0 HB THR A 81 10.472 -10.056 8.722 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.485 -11.351 10.268 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.758 -10.719 9.370 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.611 -8.955 9.187 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.645 -9.681 10.811 1.00 0.00 H new ATOM 1297 N THR A 82 9.825 -7.405 8.290 1.00 0.00 N ATOM 1298 CA THR A 82 10.087 -6.328 7.347 1.00 0.00 C ATOM 1299 C THR A 82 9.569 -4.986 7.878 1.00 0.00 C ATOM 1300 O THR A 82 10.167 -3.941 7.632 1.00 0.00 O ATOM 1301 CB THR A 82 9.458 -6.626 5.969 1.00 0.00 C ATOM 1302 OG1 THR A 82 9.829 -7.945 5.545 1.00 0.00 O ATOM 1303 CG2 THR A 82 9.925 -5.620 4.928 1.00 0.00 C ATOM 0 H THR A 82 9.123 -8.077 7.979 1.00 0.00 H new ATOM 0 HA THR A 82 11.168 -6.260 7.228 1.00 0.00 H new ATOM 0 HB THR A 82 8.375 -6.553 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.220 -8.601 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.467 -5.852 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.633 -4.616 5.236 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.010 -5.670 4.835 1.00 0.00 H new ATOM 1311 N SER A 83 8.472 -5.018 8.628 1.00 0.00 N ATOM 1312 CA SER A 83 7.926 -3.802 9.218 1.00 0.00 C ATOM 1313 C SER A 83 8.846 -3.279 10.317 1.00 0.00 C ATOM 1314 O SER A 83 9.033 -2.072 10.465 1.00 0.00 O ATOM 1315 CB SER A 83 6.524 -4.059 9.768 1.00 0.00 C ATOM 1316 OG SER A 83 5.651 -4.481 8.735 1.00 0.00 O ATOM 0 H SER A 83 7.947 -5.866 8.840 1.00 0.00 H new ATOM 0 HA SER A 83 7.857 -3.042 8.440 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.567 -4.819 10.548 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.137 -3.151 10.230 1.00 0.00 H new ATOM 0 HG SER A 83 5.799 -5.432 8.549 1.00 0.00 H new ATOM 1322 N ASN A 84 9.442 -4.199 11.063 1.00 0.00 N ATOM 1323 CA ASN A 84 10.394 -3.840 12.109 1.00 0.00 C ATOM 1324 C ASN A 84 11.667 -3.324 11.455 1.00 0.00 C ATOM 1325 O ASN A 84 12.343 -2.430 11.964 1.00 0.00 O ATOM 1326 CB ASN A 84 10.698 -5.058 12.990 1.00 0.00 C ATOM 1327 CG ASN A 84 11.622 -4.739 14.152 1.00 0.00 C ATOM 1328 OD1 ASN A 84 11.607 -3.633 14.696 1.00 0.00 O ATOM 1329 ND2 ASN A 84 12.431 -5.711 14.546 1.00 0.00 N ATOM 0 H ASN A 84 9.284 -5.202 10.964 1.00 0.00 H new ATOM 0 HA ASN A 84 9.970 -3.062 12.744 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.762 -5.460 13.378 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.151 -5.838 12.377 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.071 -5.557 15.325 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.414 -6.613 14.070 1.00 0.00 H new ATOM 1336 N LYS A 85 11.962 -3.891 10.297 1.00 0.00 N ATOM 1337 CA LYS A 85 13.096 -3.482 9.489 1.00 0.00 C ATOM 1338 C LYS A 85 12.886 -2.062 8.962 1.00 0.00 C ATOM 1339 O LYS A 85 13.814 -1.251 8.936 1.00 0.00 O ATOM 1340 CB LYS A 85 13.260 -4.459 8.326 1.00 0.00 C ATOM 1341 CG LYS A 85 14.701 -4.827 8.020 1.00 0.00 C ATOM 1342 CD LYS A 85 15.346 -5.511 9.213 1.00 0.00 C ATOM 1343 CE LYS A 85 16.645 -6.201 8.835 1.00 0.00 C ATOM 1344 NZ LYS A 85 17.297 -6.817 10.016 1.00 0.00 N ATOM 0 H LYS A 85 11.418 -4.652 9.890 1.00 0.00 H new ATOM 0 HA LYS A 85 13.999 -3.490 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.704 -5.369 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.811 -4.023 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.737 -5.487 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.263 -3.930 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.540 -4.775 9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.654 -6.243 9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.446 -6.968 8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.323 -5.479 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.181 -7.280 9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.508 -6.081 10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.659 -7.523 10.435 1.00 0.00 H new ATOM 1358 N LEU A 86 11.652 -1.773 8.553 1.00 0.00 N ATOM 1359 CA LEU A 86 11.281 -0.449 8.052 1.00 0.00 C ATOM 1360 C LEU A 86 11.281 0.577 9.183 1.00 0.00 C ATOM 1361 O LEU A 86 11.413 1.776 8.952 1.00 0.00 O ATOM 1362 CB LEU A 86 9.894 -0.497 7.401 1.00 0.00 C ATOM 1363 CG LEU A 86 9.449 0.799 6.717 1.00 0.00 C ATOM 1364 CD1 LEU A 86 10.221 1.015 5.428 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.951 0.781 6.449 1.00 0.00 C ATOM 0 H LEU A 86 10.885 -2.445 8.559 1.00 0.00 H new ATOM 0 HA LEU A 86 12.018 -0.150 7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.884 -1.300 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.161 -0.756 8.165 1.00 0.00 H new ATOM 0 HG LEU A 86 9.664 1.630 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.891 1.941 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.286 1.080 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.041 0.179 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.657 1.711 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.708 -0.060 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.414 0.679 7.392 1.00 0.00 H new ATOM 1377 N LYS A 87 11.125 0.100 10.406 1.00 0.00 N ATOM 1378 CA LYS A 87 11.122 0.974 11.568 1.00 0.00 C ATOM 1379 C LYS A 87 12.551 1.261 12.019 1.00 0.00 C ATOM 1380 O LYS A 87 12.914 2.406 12.293 1.00 0.00 O ATOM 1381 CB LYS A 87 10.334 0.327 12.712 1.00 0.00 C ATOM 1382 CG LYS A 87 10.108 1.244 13.904 1.00 0.00 C ATOM 1383 CD LYS A 87 9.185 2.399 13.551 1.00 0.00 C ATOM 1384 CE LYS A 87 8.923 3.292 14.754 1.00 0.00 C ATOM 1385 NZ LYS A 87 10.142 4.037 15.176 1.00 0.00 N ATOM 0 H LYS A 87 10.999 -0.889 10.621 1.00 0.00 H new ATOM 0 HA LYS A 87 10.644 1.915 11.294 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.367 -0.003 12.332 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.866 -0.564 13.047 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.679 0.673 14.728 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.065 1.634 14.251 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.629 2.989 12.749 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.240 2.008 13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.131 4.001 14.513 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.565 2.684 15.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.892 4.719 15.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.848 3.368 15.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.538 4.545 14.360 1.00 0.00 H new ATOM 1399 N SER A 88 13.359 0.214 12.082 1.00 0.00 N ATOM 1400 CA SER A 88 14.719 0.326 12.581 1.00 0.00 C ATOM 1401 C SER A 88 15.650 0.936 11.529 1.00 0.00 C ATOM 1402 O SER A 88 16.300 1.953 11.782 1.00 0.00 O ATOM 1403 CB SER A 88 15.228 -1.053 13.018 1.00 0.00 C ATOM 1404 OG SER A 88 16.471 -0.963 13.696 1.00 0.00 O ATOM 0 H SER A 88 13.094 -0.727 11.792 1.00 0.00 H new ATOM 0 HA SER A 88 14.715 0.994 13.442 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.491 -1.523 13.670 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.336 -1.695 12.144 1.00 0.00 H new ATOM 0 HG SER A 88 16.765 -1.860 13.961 1.00 0.00 H new ATOM 1410 N ARG A 89 15.704 0.323 10.350 1.00 0.00 N ATOM 1411 CA ARG A 89 16.616 0.773 9.302 1.00 0.00 C ATOM 1412 C ARG A 89 15.927 1.769 8.376 1.00 0.00 C ATOM 1413 O ARG A 89 16.575 2.644 7.803 1.00 0.00 O ATOM 1414 CB ARG A 89 17.131 -0.420 8.484 1.00 0.00 C ATOM 1415 CG ARG A 89 17.869 -1.466 9.306 1.00 0.00 C ATOM 1416 CD ARG A 89 18.432 -2.576 8.426 1.00 0.00 C ATOM 1417 NE ARG A 89 19.480 -2.090 7.526 1.00 0.00 N ATOM 1418 CZ ARG A 89 20.146 -2.855 6.659 1.00 0.00 C ATOM 1419 NH1 ARG A 89 19.844 -4.139 6.515 1.00 0.00 N ATOM 1420 NH2 ARG A 89 21.107 -2.326 5.918 1.00 0.00 N ATOM 0 H ARG A 89 15.131 -0.482 10.097 1.00 0.00 H new ATOM 0 HA ARG A 89 17.461 1.265 9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.287 -0.896 7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 89 17.797 -0.051 7.704 1.00 0.00 H new ATOM 0 HG2 ARG A 89 18.681 -0.991 9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.191 -1.895 10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.836 -3.368 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.626 -3.016 7.839 1.00 0.00 H new ATOM 0 HE ARG A 89 19.717 -1.099 7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.095 -4.552 7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.361 -4.713 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.336 -1.336 6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.618 -2.908 5.254 1.00 0.00 H new ATOM 1434 N GLU A 90 14.610 1.604 8.229 1.00 0.00 N ATOM 1435 CA GLU A 90 13.775 2.452 7.365 1.00 0.00 C ATOM 1436 C GLU A 90 13.993 2.152 5.880 1.00 0.00 C ATOM 1437 O GLU A 90 13.075 2.329 5.081 1.00 0.00 O ATOM 1438 CB GLU A 90 13.978 3.942 7.661 1.00 0.00 C ATOM 1439 CG GLU A 90 13.468 4.346 9.034 1.00 0.00 C ATOM 1440 CD GLU A 90 13.471 5.844 9.252 1.00 0.00 C ATOM 1441 OE1 GLU A 90 12.718 6.552 8.551 1.00 0.00 O ATOM 1442 OE2 GLU A 90 14.211 6.316 10.142 1.00 0.00 O ATOM 0 H GLU A 90 14.086 0.873 8.709 1.00 0.00 H new ATOM 0 HA GLU A 90 12.739 2.207 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.039 4.181 7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 90 13.466 4.532 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.454 3.968 9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 90 14.085 3.873 9.798 1.00 0.00 H new ATOM 1449 N ILE A 91 15.204 1.695 5.535 1.00 0.00 N ATOM 1450 CA ILE A 91 15.558 1.242 4.180 1.00 0.00 C ATOM 1451 C ILE A 91 14.850 2.025 3.067 1.00 0.00 C ATOM 1452 O ILE A 91 15.161 3.191 2.823 1.00 0.00 O ATOM 1453 CB ILE A 91 15.329 -0.285 3.992 1.00 0.00 C ATOM 1454 CG1 ILE A 91 13.988 -0.735 4.595 1.00 0.00 C ATOM 1455 CG2 ILE A 91 16.480 -1.065 4.611 1.00 0.00 C ATOM 1456 CD1 ILE A 91 13.653 -2.190 4.335 1.00 0.00 C ATOM 0 H ILE A 91 15.977 1.628 6.197 1.00 0.00 H new ATOM 0 HA ILE A 91 16.624 1.447 4.087 1.00 0.00 H new ATOM 0 HB ILE A 91 15.293 -0.490 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.010 -0.564 5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.191 -0.111 4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.311 -2.133 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.414 -0.781 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 91 16.541 -0.841 5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 91 12.693 -2.430 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.597 -2.364 3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.428 -2.824 4.765 1.00 0.00 H new ATOM 1468 N THR A 92 13.910 1.379 2.389 1.00 0.00 N ATOM 1469 CA THR A 92 13.129 2.019 1.345 1.00 0.00 C ATOM 1470 C THR A 92 11.758 1.349 1.245 1.00 0.00 C ATOM 1471 O THR A 92 11.653 0.126 1.367 1.00 0.00 O ATOM 1472 CB THR A 92 13.848 1.935 -0.018 1.00 0.00 C ATOM 1473 OG1 THR A 92 15.215 2.348 0.124 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.164 2.813 -1.055 1.00 0.00 C ATOM 0 H THR A 92 13.670 0.400 2.548 1.00 0.00 H new ATOM 0 HA THR A 92 13.008 3.071 1.604 1.00 0.00 H new ATOM 0 HB THR A 92 13.806 0.900 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.666 2.291 -0.744 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.693 2.733 -2.005 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.132 2.486 -1.185 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.176 3.850 -0.719 1.00 0.00 H new ATOM 1482 N PHE A 93 10.718 2.150 1.032 1.00 0.00 N ATOM 1483 CA PHE A 93 9.348 1.647 0.945 1.00 0.00 C ATOM 1484 C PHE A 93 9.199 0.629 -0.189 1.00 0.00 C ATOM 1485 O PHE A 93 8.382 -0.291 -0.108 1.00 0.00 O ATOM 1486 CB PHE A 93 8.379 2.816 0.739 1.00 0.00 C ATOM 1487 CG PHE A 93 6.932 2.406 0.684 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.259 2.044 1.840 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.244 2.382 -0.521 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.931 1.664 1.798 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.916 2.003 -0.570 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.258 1.645 0.590 1.00 0.00 C ATOM 0 H PHE A 93 10.798 3.160 0.915 1.00 0.00 H new ATOM 0 HA PHE A 93 9.110 1.140 1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.513 3.533 1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.636 3.330 -0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.779 2.059 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.753 2.663 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.420 1.382 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.393 1.987 -1.515 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.220 1.351 0.554 1.00 0.00 H new ATOM 1502 N GLN A 94 9.995 0.800 -1.238 1.00 0.00 N ATOM 1503 CA GLN A 94 9.979 -0.109 -2.378 1.00 0.00 C ATOM 1504 C GLN A 94 10.300 -1.537 -1.936 1.00 0.00 C ATOM 1505 O GLN A 94 9.538 -2.465 -2.212 1.00 0.00 O ATOM 1506 CB GLN A 94 10.969 0.379 -3.443 1.00 0.00 C ATOM 1507 CG GLN A 94 11.156 -0.571 -4.619 1.00 0.00 C ATOM 1508 CD GLN A 94 9.856 -0.952 -5.307 1.00 0.00 C ATOM 1509 OE1 GLN A 94 8.887 -0.186 -5.323 1.00 0.00 O ATOM 1510 NE2 GLN A 94 9.833 -2.137 -5.892 1.00 0.00 N ATOM 0 H GLN A 94 10.664 1.565 -1.323 1.00 0.00 H new ATOM 0 HA GLN A 94 8.979 -0.118 -2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.629 1.343 -3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.937 0.546 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.820 -0.107 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.651 -1.477 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.655 -2.740 -5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.993 -2.449 -6.380 1.00 0.00 H new ATOM 1519 N GLU A 95 11.412 -1.702 -1.226 1.00 0.00 N ATOM 1520 CA GLU A 95 11.813 -3.015 -0.728 1.00 0.00 C ATOM 1521 C GLU A 95 10.856 -3.507 0.350 1.00 0.00 C ATOM 1522 O GLU A 95 10.596 -4.704 0.452 1.00 0.00 O ATOM 1523 CB GLU A 95 13.242 -2.981 -0.180 1.00 0.00 C ATOM 1524 CG GLU A 95 14.317 -3.071 -1.253 1.00 0.00 C ATOM 1525 CD GLU A 95 14.191 -1.990 -2.305 1.00 0.00 C ATOM 1526 OE1 GLU A 95 14.421 -0.807 -1.971 1.00 0.00 O ATOM 1527 OE2 GLU A 95 13.866 -2.320 -3.465 1.00 0.00 O ATOM 0 H GLU A 95 12.051 -0.945 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 95 11.778 -3.709 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.382 -2.059 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.372 -3.806 0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.298 -3.002 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.262 -4.047 -1.734 1.00 0.00 H new ATOM 1534 N TYR A 96 10.332 -2.578 1.146 1.00 0.00 N ATOM 1535 CA TYR A 96 9.341 -2.916 2.162 1.00 0.00 C ATOM 1536 C TYR A 96 8.147 -3.616 1.524 1.00 0.00 C ATOM 1537 O TYR A 96 7.756 -4.710 1.935 1.00 0.00 O ATOM 1538 CB TYR A 96 8.875 -1.658 2.905 1.00 0.00 C ATOM 1539 CG TYR A 96 7.757 -1.918 3.898 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.985 -2.662 5.048 1.00 0.00 C ATOM 1541 CD2 TYR A 96 6.473 -1.430 3.680 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.972 -2.915 5.952 1.00 0.00 C ATOM 1543 CE2 TYR A 96 5.453 -1.679 4.580 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.707 -2.421 5.716 1.00 0.00 C ATOM 1545 OH TYR A 96 4.693 -2.679 6.612 1.00 0.00 O ATOM 0 H TYR A 96 10.577 -1.589 1.107 1.00 0.00 H new ATOM 0 HA TYR A 96 9.806 -3.591 2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.724 -1.222 3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.539 -0.920 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.974 -3.051 5.239 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.269 -0.847 2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.170 -3.497 6.840 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.461 -1.294 4.395 1.00 0.00 H new ATOM 0 HH TYR A 96 5.019 -3.287 7.308 1.00 0.00 H new ATOM 1555 N ARG A 97 7.589 -2.988 0.502 1.00 0.00 N ATOM 1556 CA ARG A 97 6.439 -3.538 -0.198 1.00 0.00 C ATOM 1557 C ARG A 97 6.825 -4.806 -0.960 1.00 0.00 C ATOM 1558 O ARG A 97 6.018 -5.724 -1.105 1.00 0.00 O ATOM 1559 CB ARG A 97 5.859 -2.497 -1.160 1.00 0.00 C ATOM 1560 CG ARG A 97 4.601 -2.961 -1.870 1.00 0.00 C ATOM 1561 CD ARG A 97 4.053 -1.899 -2.805 1.00 0.00 C ATOM 1562 NE ARG A 97 4.984 -1.567 -3.886 1.00 0.00 N ATOM 1563 CZ ARG A 97 4.717 -1.759 -5.179 1.00 0.00 C ATOM 1564 NH1 ARG A 97 3.591 -2.360 -5.545 1.00 0.00 N ATOM 1565 NH2 ARG A 97 5.576 -1.362 -6.109 1.00 0.00 N ATOM 0 H ARG A 97 7.915 -2.093 0.137 1.00 0.00 H new ATOM 0 HA ARG A 97 5.680 -3.799 0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.638 -1.585 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.613 -2.242 -1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.817 -3.867 -2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.842 -3.221 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.113 -2.247 -3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.828 -0.998 -2.234 1.00 0.00 H new ATOM 0 HE ARG A 97 5.888 -1.166 -3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.928 -2.676 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.389 -2.506 -6.534 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.447 -0.907 -5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.365 -1.512 -7.096 1.00 0.00 H new ATOM 1579 N ARG A 98 8.065 -4.849 -1.430 1.00 0.00 N ATOM 1580 CA ARG A 98 8.555 -5.985 -2.202 1.00 0.00 C ATOM 1581 C ARG A 98 8.634 -7.239 -1.331 1.00 0.00 C ATOM 1582 O ARG A 98 8.257 -8.330 -1.763 1.00 0.00 O ATOM 1583 CB ARG A 98 9.930 -5.669 -2.799 1.00 0.00 C ATOM 1584 CG ARG A 98 10.331 -6.617 -3.913 1.00 0.00 C ATOM 1585 CD ARG A 98 11.651 -6.218 -4.551 1.00 0.00 C ATOM 1586 NE ARG A 98 12.801 -6.597 -3.732 1.00 0.00 N ATOM 1587 CZ ARG A 98 14.027 -6.773 -4.218 1.00 0.00 C ATOM 1588 NH1 ARG A 98 14.282 -6.509 -5.496 1.00 0.00 N ATOM 1589 NH2 ARG A 98 15.001 -7.190 -3.423 1.00 0.00 N ATOM 0 H ARG A 98 8.752 -4.108 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 98 7.853 -6.174 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.926 -4.649 -3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.680 -5.710 -2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.411 -7.629 -3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.551 -6.633 -4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.735 -6.688 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.663 -5.140 -4.713 1.00 0.00 H new ATOM 0 HE ARG A 98 12.655 -6.734 -2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.537 -6.171 -6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.222 -6.644 -5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.811 -7.376 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.941 -7.325 -3.796 1.00 0.00 H new ATOM 1603 N ASN A 99 9.113 -7.073 -0.103 1.00 0.00 N ATOM 1604 CA ASN A 99 9.216 -8.184 0.842 1.00 0.00 C ATOM 1605 C ASN A 99 7.839 -8.715 1.209 1.00 0.00 C ATOM 1606 O ASN A 99 7.632 -9.925 1.296 1.00 0.00 O ATOM 1607 CB ASN A 99 9.961 -7.755 2.109 1.00 0.00 C ATOM 1608 CG ASN A 99 11.462 -7.660 1.909 1.00 0.00 C ATOM 1609 OD1 ASN A 99 11.943 -7.425 0.801 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.217 -7.842 2.983 1.00 0.00 N ATOM 0 H ASN A 99 9.437 -6.178 0.264 1.00 0.00 H new ATOM 0 HA ASN A 99 9.780 -8.980 0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.582 -6.787 2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.750 -8.467 2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.233 -7.789 2.907 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.782 -8.035 3.885 1.00 0.00 H new ATOM 1617 N LEU A 100 6.895 -7.804 1.420 1.00 0.00 N ATOM 1618 CA LEU A 100 5.525 -8.186 1.742 1.00 0.00 C ATOM 1619 C LEU A 100 4.901 -8.960 0.588 1.00 0.00 C ATOM 1620 O LEU A 100 4.208 -9.956 0.803 1.00 0.00 O ATOM 1621 CB LEU A 100 4.674 -6.956 2.082 1.00 0.00 C ATOM 1622 CG LEU A 100 4.637 -6.572 3.568 1.00 0.00 C ATOM 1623 CD1 LEU A 100 6.029 -6.254 4.093 1.00 0.00 C ATOM 1624 CD2 LEU A 100 3.708 -5.388 3.785 1.00 0.00 C ATOM 0 H LEU A 100 7.053 -6.797 1.374 1.00 0.00 H new ATOM 0 HA LEU A 100 5.554 -8.831 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.051 -6.106 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.653 -7.137 1.745 1.00 0.00 H new ATOM 0 HG LEU A 100 4.256 -7.428 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.968 -5.986 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.670 -7.128 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.448 -5.420 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.692 -5.127 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.064 -4.535 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.701 -5.651 3.461 1.00 0.00 H new ATOM 1636 N ALA A 101 5.170 -8.511 -0.635 1.00 0.00 N ATOM 1637 CA ALA A 101 4.681 -9.196 -1.827 1.00 0.00 C ATOM 1638 C ALA A 101 5.212 -10.623 -1.883 1.00 0.00 C ATOM 1639 O ALA A 101 4.502 -11.550 -2.276 1.00 0.00 O ATOM 1640 CB ALA A 101 5.084 -8.434 -3.082 1.00 0.00 C ATOM 0 H ALA A 101 5.724 -7.676 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 101 3.593 -9.234 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.711 -8.959 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.659 -7.431 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.171 -8.366 -3.133 1.00 0.00 H new ATOM 1646 N LYS A 102 6.463 -10.792 -1.473 1.00 0.00 N ATOM 1647 CA LYS A 102 7.084 -12.107 -1.446 1.00 0.00 C ATOM 1648 C LYS A 102 6.476 -12.968 -0.340 1.00 0.00 C ATOM 1649 O LYS A 102 6.426 -14.193 -0.446 1.00 0.00 O ATOM 1650 CB LYS A 102 8.593 -11.973 -1.233 1.00 0.00 C ATOM 1651 CG LYS A 102 9.331 -13.298 -1.310 1.00 0.00 C ATOM 1652 CD LYS A 102 10.789 -13.153 -0.914 1.00 0.00 C ATOM 1653 CE LYS A 102 11.532 -14.473 -1.042 1.00 0.00 C ATOM 1654 NZ LYS A 102 10.899 -15.557 -0.241 1.00 0.00 N ATOM 0 H LYS A 102 7.066 -10.034 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 102 6.901 -12.593 -2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.000 -11.294 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.776 -11.519 -0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.847 -14.023 -0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.267 -13.692 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.266 -12.403 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.855 -12.795 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.563 -14.770 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.564 -14.340 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.541 -16.374 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.707 -15.211 0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.006 -15.845 -0.690 1.00 0.00 H new ATOM 1668 N ALA A 103 6.008 -12.312 0.717 1.00 0.00 N ATOM 1669 CA ALA A 103 5.413 -13.004 1.855 1.00 0.00 C ATOM 1670 C ALA A 103 3.992 -13.463 1.544 1.00 0.00 C ATOM 1671 O ALA A 103 3.411 -14.255 2.287 1.00 0.00 O ATOM 1672 CB ALA A 103 5.419 -12.103 3.081 1.00 0.00 C ATOM 0 H ALA A 103 6.030 -11.296 0.809 1.00 0.00 H new ATOM 0 HA ALA A 103 6.014 -13.890 2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.972 -12.632 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.445 -11.830 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.844 -11.201 2.872 1.00 0.00 H new ATOM 1678 N GLY A 104 3.437 -12.953 0.452 1.00 0.00 N ATOM 1679 CA GLY A 104 2.114 -13.366 0.032 1.00 0.00 C ATOM 1680 C GLY A 104 1.131 -12.218 -0.045 1.00 0.00 C ATOM 1681 O GLY A 104 -0.030 -12.412 -0.404 1.00 0.00 O ATOM 0 H GLY A 104 3.881 -12.260 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.182 -13.844 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.735 -14.115 0.728 1.00 0.00 H new ATOM 1685 N VAL A 105 1.583 -11.016 0.289 1.00 0.00 N ATOM 1686 CA VAL A 105 0.722 -9.842 0.230 1.00 0.00 C ATOM 1687 C VAL A 105 0.526 -9.403 -1.215 1.00 0.00 C ATOM 1688 O VAL A 105 1.426 -8.840 -1.837 1.00 0.00 O ATOM 1689 CB VAL A 105 1.288 -8.670 1.060 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.383 -7.449 0.963 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.473 -9.088 2.511 1.00 0.00 C ATOM 0 H VAL A 105 2.536 -10.829 0.602 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.240 -10.122 0.660 1.00 0.00 H new ATOM 0 HB VAL A 105 2.262 -8.401 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.803 -6.637 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.305 -7.136 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.608 -7.700 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.873 -8.251 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.512 -9.387 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.167 -9.927 2.562 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.654 -9.687 -1.746 1.00 0.00 N ATOM 1702 CA PHE A 106 -0.977 -9.351 -3.125 1.00 0.00 C ATOM 1703 C PHE A 106 -1.923 -8.155 -3.182 1.00 0.00 C ATOM 1704 O PHE A 106 -1.886 -7.362 -4.122 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.610 -10.564 -3.823 1.00 0.00 C ATOM 1706 CG PHE A 106 -2.012 -10.311 -5.247 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -1.056 -10.221 -6.245 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -3.346 -10.162 -5.590 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -1.421 -9.988 -7.556 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -3.718 -9.928 -6.900 1.00 0.00 C ATOM 1711 CZ PHE A 106 -2.753 -9.842 -7.884 1.00 0.00 C ATOM 0 H PHE A 106 -1.408 -10.152 -1.240 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.056 -9.082 -3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.903 -11.394 -3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.489 -10.877 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.012 -10.335 -5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.104 -10.230 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.665 -9.920 -8.324 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.761 -9.813 -7.154 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.041 -9.661 -8.909 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.759 -8.018 -2.163 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.768 -6.971 -2.149 1.00 0.00 C ATOM 1723 C ARG A 107 -3.575 -6.051 -0.953 1.00 0.00 C ATOM 1724 O ARG A 107 -3.887 -6.407 0.185 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.167 -7.593 -2.150 1.00 0.00 C ATOM 1726 CG ARG A 107 -5.453 -8.387 -3.417 1.00 0.00 C ATOM 1727 CD ARG A 107 -6.636 -9.326 -3.255 1.00 0.00 C ATOM 1728 NE ARG A 107 -7.915 -8.626 -3.154 1.00 0.00 N ATOM 1729 CZ ARG A 107 -9.091 -9.208 -3.391 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -9.132 -10.475 -3.799 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -10.219 -8.522 -3.242 1.00 0.00 N ATOM 0 H ARG A 107 -2.758 -8.617 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.660 -6.366 -3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.270 -8.247 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.912 -6.804 -2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.649 -7.698 -4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.569 -8.964 -3.689 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.669 -10.009 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.490 -9.934 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.908 -7.641 -2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.266 -10.997 -3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.030 -10.923 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.187 -7.547 -2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.117 -8.971 -3.424 1.00 0.00 H new ATOM 1745 N TRP A 108 -3.038 -4.875 -1.232 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.777 -3.867 -0.217 1.00 0.00 C ATOM 1747 C TRP A 108 -4.019 -3.004 -0.024 1.00 0.00 C ATOM 1748 O TRP A 108 -4.255 -2.064 -0.781 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.582 -3.012 -0.660 1.00 0.00 C ATOM 1750 CG TRP A 108 -1.088 -2.027 0.355 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.766 -0.961 0.873 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.217 -1.997 0.943 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -0.971 -0.285 1.765 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.253 -0.898 1.822 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.357 -2.797 0.818 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.384 -0.581 2.570 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.479 -2.481 1.558 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.485 -1.380 2.424 1.00 0.00 C ATOM 0 H TRP A 108 -2.769 -4.591 -2.174 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.539 -4.343 0.734 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.760 -3.676 -0.927 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.860 -2.469 -1.564 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.780 -0.689 0.618 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.247 0.539 2.299 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.360 -3.648 0.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.392 0.265 3.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.365 -3.092 1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.378 -1.157 2.989 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.824 -3.338 0.969 1.00 0.00 N ATOM 1770 CA VAL A 109 -6.054 -2.609 1.219 1.00 0.00 C ATOM 1771 C VAL A 109 -5.920 -1.727 2.453 1.00 0.00 C ATOM 1772 O VAL A 109 -5.964 -2.208 3.582 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.254 -3.564 1.398 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.543 -2.781 1.594 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.375 -4.502 0.209 1.00 0.00 C ATOM 0 H VAL A 109 -4.648 -4.108 1.614 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.237 -1.982 0.346 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.080 -4.163 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.375 -3.475 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.457 -2.155 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.722 -2.151 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.227 -5.167 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.521 -3.919 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.464 -5.094 0.118 1.00 0.00 H new ATOM 1785 N THR A 110 -5.742 -0.439 2.237 1.00 0.00 N ATOM 1786 CA THR A 110 -5.672 0.504 3.338 1.00 0.00 C ATOM 1787 C THR A 110 -6.997 1.240 3.480 1.00 0.00 C ATOM 1788 O THR A 110 -7.378 2.019 2.603 1.00 0.00 O ATOM 1789 CB THR A 110 -4.536 1.526 3.144 1.00 0.00 C ATOM 1790 OG1 THR A 110 -3.288 0.843 2.984 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.443 2.476 4.333 1.00 0.00 C ATOM 0 H THR A 110 -5.643 -0.021 1.312 1.00 0.00 H new ATOM 0 HA THR A 110 -5.465 -0.065 4.244 1.00 0.00 H new ATOM 0 HB THR A 110 -4.756 2.109 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.258 0.418 2.101 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.633 3.186 4.169 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.383 3.017 4.441 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.246 1.905 5.240 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.706 0.974 4.564 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.966 1.645 4.814 1.00 0.00 C ATOM 1801 C ASN A 111 -8.730 2.845 5.717 1.00 0.00 C ATOM 1802 O ASN A 111 -8.548 2.709 6.931 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.996 0.690 5.421 1.00 0.00 C ATOM 1804 CG ASN A 111 -11.377 1.313 5.501 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -11.691 2.249 4.772 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -12.219 0.784 6.365 1.00 0.00 N ATOM 0 H ASN A 111 -7.431 0.302 5.280 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.374 1.991 3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.044 -0.219 4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.673 0.397 6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.167 1.152 6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.923 0.006 6.955 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.716 4.017 5.097 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.378 5.261 5.769 1.00 0.00 C ATOM 1815 C ILE A 112 -9.354 5.562 6.898 1.00 0.00 C ATOM 1816 O ILE A 112 -8.950 5.977 7.985 1.00 0.00 O ATOM 1817 CB ILE A 112 -8.374 6.439 4.765 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -7.288 6.233 3.702 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -8.177 7.764 5.485 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.884 6.140 4.270 1.00 0.00 C ATOM 0 H ILE A 112 -8.940 4.130 4.108 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.380 5.143 6.192 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.343 6.467 4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.506 5.321 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.328 7.058 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.178 8.577 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.987 7.914 6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.225 7.752 6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.172 5.995 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.645 7.061 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.825 5.297 4.959 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.631 5.309 6.651 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.674 5.676 7.603 1.00 0.00 C ATOM 1834 C HIS A 113 -11.554 4.873 8.901 1.00 0.00 C ATOM 1835 O HIS A 113 -12.001 5.324 9.954 1.00 0.00 O ATOM 1836 CB HIS A 113 -13.059 5.487 6.976 1.00 0.00 C ATOM 1837 CG HIS A 113 -14.147 6.231 7.693 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -15.486 5.953 7.532 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.086 7.264 8.570 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -16.198 6.779 8.274 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.373 7.583 8.914 1.00 0.00 N ATOM 0 H HIS A 113 -10.971 4.853 5.804 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.544 6.729 7.853 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -13.027 5.817 5.938 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -13.302 4.425 6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -13.189 7.746 8.930 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -17.276 6.794 8.345 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -15.648 8.323 9.560 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.939 3.697 8.837 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.755 2.880 10.032 1.00 0.00 C ATOM 1852 C GLU A 114 -9.325 2.964 10.552 1.00 0.00 C ATOM 1853 O GLU A 114 -9.008 2.362 11.580 1.00 0.00 O ATOM 1854 CB GLU A 114 -11.101 1.419 9.762 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.556 1.190 9.409 1.00 0.00 C ATOM 1856 CD GLU A 114 -12.906 -0.281 9.356 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -12.345 -1.001 8.503 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -13.737 -0.725 10.173 1.00 0.00 O ATOM 0 H GLU A 114 -10.563 3.291 7.980 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.432 3.276 10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.477 1.052 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.853 0.828 10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.189 1.686 10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.770 1.648 8.443 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.472 3.696 9.834 1.00 0.00 N ATOM 1866 CA GLN A 115 -7.061 3.836 10.201 1.00 0.00 C ATOM 1867 C GLN A 115 -6.391 2.469 10.326 1.00 0.00 C ATOM 1868 O GLN A 115 -5.570 2.245 11.213 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.920 4.617 11.515 1.00 0.00 C ATOM 1870 CG GLN A 115 -7.321 6.080 11.407 1.00 0.00 C ATOM 1871 CD GLN A 115 -6.395 6.880 10.508 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -5.400 7.443 10.961 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -6.719 6.943 9.225 1.00 0.00 N ATOM 0 H GLN A 115 -8.735 4.204 8.990 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.561 4.392 9.408 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.532 4.138 12.279 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.885 4.558 11.853 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.339 6.145 11.022 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.327 6.525 12.402 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.552 6.463 8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -6.135 7.472 8.577 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.730 1.560 9.423 1.00 0.00 N ATOM 1883 CA LYS A 116 -6.190 0.208 9.470 1.00 0.00 C ATOM 1884 C LYS A 116 -5.771 -0.278 8.091 1.00 0.00 C ATOM 1885 O LYS A 116 -6.470 -0.050 7.098 1.00 0.00 O ATOM 1886 CB LYS A 116 -7.207 -0.761 10.078 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.180 -0.794 11.596 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.230 -1.740 12.157 1.00 0.00 C ATOM 1889 CE LYS A 116 -9.609 -1.103 12.172 1.00 0.00 C ATOM 1890 NZ LYS A 116 -9.633 0.128 13.009 1.00 0.00 N ATOM 0 H LYS A 116 -7.374 1.733 8.651 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.303 0.237 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.207 -0.481 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -7.014 -1.764 9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.192 -1.104 11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.350 0.210 11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.256 -2.651 11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.953 -2.032 13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.908 -0.857 11.153 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.337 -1.818 12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.497 0.138 13.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -8.800 0.141 13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.619 0.966 12.394 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.623 -0.935 8.038 1.00 0.00 N ATOM 1905 CA ARG A 117 -4.141 -1.544 6.811 1.00 0.00 C ATOM 1906 C ARG A 117 -4.417 -3.040 6.822 1.00 0.00 C ATOM 1907 O ARG A 117 -3.968 -3.764 7.719 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.645 -1.282 6.621 1.00 0.00 C ATOM 1909 CG ARG A 117 -2.318 0.167 6.314 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.817 0.393 6.205 1.00 0.00 C ATOM 1911 NE ARG A 117 -0.143 0.247 7.492 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.163 0.428 7.677 1.00 0.00 C ATOM 1913 NH1 ARG A 117 1.954 0.712 6.646 1.00 0.00 N ATOM 1914 NH2 ARG A 117 1.677 0.321 8.893 1.00 0.00 N ATOM 0 H ARG A 117 -4.004 -1.060 8.839 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.674 -1.093 5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.114 -1.582 7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.275 -1.909 5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.799 0.459 5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.727 0.806 7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.395 -0.317 5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.629 1.391 5.809 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.709 -0.010 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.561 0.792 5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.954 0.850 6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.073 0.100 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.677 0.459 9.038 1.00 0.00 H new ATOM 1928 N TYR A 118 -5.165 -3.487 5.827 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.529 -4.887 5.694 1.00 0.00 C ATOM 1930 C TYR A 118 -4.734 -5.521 4.558 1.00 0.00 C ATOM 1931 O TYR A 118 -4.916 -5.170 3.389 1.00 0.00 O ATOM 1932 CB TYR A 118 -7.030 -5.028 5.413 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.930 -4.379 6.444 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -8.271 -3.034 6.353 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -8.446 -5.114 7.503 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -9.097 -2.440 7.289 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -9.275 -4.528 8.443 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.595 -3.190 8.330 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.416 -2.602 9.266 1.00 0.00 O ATOM 0 H TYR A 118 -5.537 -2.889 5.089 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.298 -5.397 6.629 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.246 -4.593 4.437 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -7.276 -6.088 5.351 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.884 -2.443 5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -8.196 -6.161 7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.350 -1.394 7.204 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.669 -5.114 9.260 1.00 0.00 H new ATOM 0 HH TYR A 118 -11.211 -2.239 8.822 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.850 -6.441 4.895 1.00 0.00 N ATOM 1950 CA TYR A 119 -3.030 -7.101 3.893 1.00 0.00 C ATOM 1951 C TYR A 119 -3.640 -8.439 3.499 1.00 0.00 C ATOM 1952 O TYR A 119 -3.624 -9.394 4.281 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.607 -7.301 4.415 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.902 -6.005 4.750 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -0.392 -5.194 3.745 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.754 -5.585 6.067 1.00 0.00 C ATOM 1957 CE1 TYR A 119 0.247 -4.006 4.041 1.00 0.00 C ATOM 1958 CE2 TYR A 119 -0.116 -4.397 6.371 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.382 -3.611 5.354 1.00 0.00 C ATOM 1960 OH TYR A 119 1.015 -2.425 5.647 1.00 0.00 O ATOM 0 H TYR A 119 -3.680 -6.749 5.853 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.991 -6.465 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.639 -7.929 5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -1.026 -7.839 3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -0.497 -5.497 2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.144 -6.197 6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 119 0.639 -3.389 3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -0.008 -4.086 7.400 1.00 0.00 H new ATOM 0 HH TYR A 119 1.119 -1.898 4.827 1.00 0.00 H new ATOM 1970 N TYR A 120 -4.187 -8.501 2.293 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.807 -9.718 1.792 1.00 0.00 C ATOM 1972 C TYR A 120 -3.862 -10.448 0.848 1.00 0.00 C ATOM 1973 O TYR A 120 -3.127 -9.820 0.077 1.00 0.00 O ATOM 1974 CB TYR A 120 -6.114 -9.404 1.050 1.00 0.00 C ATOM 1975 CG TYR A 120 -7.204 -8.813 1.918 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.271 -7.446 2.149 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -8.174 -9.625 2.496 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.272 -6.904 2.931 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -9.178 -9.089 3.280 1.00 0.00 C ATOM 1980 CZ TYR A 120 -9.220 -7.726 3.495 1.00 0.00 C ATOM 1981 OH TYR A 120 -10.217 -7.181 4.272 1.00 0.00 O ATOM 0 H TYR A 120 -4.213 -7.717 1.641 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.028 -10.353 2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.898 -8.710 0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.487 -10.321 0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -6.529 -6.796 1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -8.142 -10.692 2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.310 -5.838 3.099 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -9.925 -9.732 3.722 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.807 -7.894 4.595 1.00 0.00 H new ATOM 1991 N THR A 121 -3.882 -11.766 0.912 1.00 0.00 N ATOM 1992 CA THR A 121 -3.107 -12.581 -0.002 1.00 0.00 C ATOM 1993 C THR A 121 -3.891 -12.790 -1.302 1.00 0.00 C ATOM 1994 O THR A 121 -5.005 -12.277 -1.452 1.00 0.00 O ATOM 1995 CB THR A 121 -2.722 -13.934 0.648 1.00 0.00 C ATOM 1996 OG1 THR A 121 -1.926 -14.720 -0.244 1.00 0.00 O ATOM 1997 CG2 THR A 121 -3.951 -14.721 1.055 1.00 0.00 C ATOM 0 H THR A 121 -4.429 -12.296 1.590 1.00 0.00 H new ATOM 0 HA THR A 121 -2.178 -12.061 -0.237 1.00 0.00 H new ATOM 0 HB THR A 121 -2.141 -13.708 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.139 -14.205 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.646 -15.664 1.507 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.531 -14.144 1.775 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.562 -14.922 0.175 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.312 -13.536 -2.232 1.00 0.00 N ATOM 2006 CA PHE A 122 -3.863 -13.681 -3.578 1.00 0.00 C ATOM 2007 C PHE A 122 -5.272 -14.283 -3.579 1.00 0.00 C ATOM 2008 O PHE A 122 -6.086 -13.952 -4.439 1.00 0.00 O ATOM 2009 CB PHE A 122 -2.921 -14.525 -4.452 1.00 0.00 C ATOM 2010 CG PHE A 122 -2.518 -15.842 -3.841 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -3.288 -16.978 -4.030 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -1.362 -15.941 -3.082 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -2.915 -18.187 -3.472 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -0.986 -17.147 -2.522 1.00 0.00 C ATOM 2015 CZ PHE A 122 -1.762 -18.271 -2.718 1.00 0.00 C ATOM 0 H PHE A 122 -2.449 -14.058 -2.079 1.00 0.00 H new ATOM 0 HA PHE A 122 -3.946 -12.678 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -3.407 -14.716 -5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -2.022 -13.945 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.190 -16.919 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -0.749 -15.066 -2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -3.525 -19.065 -3.626 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.084 -17.210 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 122 -1.468 -19.214 -2.282 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.571 -15.142 -2.611 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.865 -15.827 -2.585 1.00 0.00 C ATOM 2027 C ASP A 123 -7.885 -15.044 -1.758 1.00 0.00 C ATOM 2028 O ASP A 123 -8.982 -15.537 -1.488 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.719 -17.255 -2.043 1.00 0.00 C ATOM 2030 CG ASP A 123 -6.790 -17.327 -0.530 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -6.185 -16.476 0.140 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -7.472 -18.231 -0.006 1.00 0.00 O ATOM 0 H ASP A 123 -4.946 -15.381 -1.841 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.230 -15.885 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.504 -17.881 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.767 -17.668 -2.376 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.499 -13.825 -1.366 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.372 -12.890 -0.645 1.00 0.00 C ATOM 2039 C ASN A 124 -8.445 -13.218 0.852 1.00 0.00 C ATOM 2040 O ASN A 124 -9.283 -12.679 1.575 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.780 -12.856 -1.270 1.00 0.00 C ATOM 2042 CG ASN A 124 -10.671 -11.746 -0.727 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -10.087 -10.602 -0.393 1.00 0.00 O flip ATOM 2044 ND2 ASN A 124 -11.884 -11.909 -0.628 1.00 0.00 N flip ATOM 0 H ASN A 124 -6.564 -13.456 -1.541 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.932 -11.897 -0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.685 -12.736 -2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -10.267 -13.816 -1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -12.302 -12.801 -0.893 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -12.474 -11.153 -0.281 1.00 0.00 H new ATOM 2051 N SER A 125 -7.563 -14.083 1.331 1.00 0.00 N ATOM 2052 CA SER A 125 -7.474 -14.332 2.764 1.00 0.00 C ATOM 2053 C SER A 125 -6.775 -13.166 3.449 1.00 0.00 C ATOM 2054 O SER A 125 -5.732 -12.697 2.984 1.00 0.00 O ATOM 2055 CB SER A 125 -6.728 -15.637 3.049 1.00 0.00 C ATOM 2056 OG SER A 125 -7.394 -16.744 2.467 1.00 0.00 O ATOM 0 H SER A 125 -6.908 -14.617 0.760 1.00 0.00 H new ATOM 0 HA SER A 125 -8.485 -14.428 3.160 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.713 -15.572 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.645 -15.784 4.126 1.00 0.00 H new ATOM 0 HG SER A 125 -6.851 -17.105 1.736 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.362 -12.683 4.534 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.774 -11.592 5.291 1.00 0.00 C ATOM 2064 C LEU A 126 -5.601 -12.106 6.113 1.00 0.00 C ATOM 2065 O LEU A 126 -5.774 -12.942 7.000 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.825 -10.950 6.205 1.00 0.00 C ATOM 2067 CG LEU A 126 -7.324 -9.780 7.054 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.794 -8.662 6.172 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -8.436 -9.269 7.957 1.00 0.00 C ATOM 0 H LEU A 126 -8.245 -13.030 4.909 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.413 -10.834 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.654 -10.602 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.222 -11.717 6.870 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.505 -10.134 7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.443 -7.841 6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.968 -9.036 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.590 -8.306 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.065 -8.437 8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -9.274 -8.932 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.766 -10.071 8.617 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.410 -11.624 5.801 1.00 0.00 N ATOM 2082 CA LEU A 127 -3.213 -12.055 6.500 1.00 0.00 C ATOM 2083 C LEU A 127 -2.926 -11.144 7.684 1.00 0.00 C ATOM 2084 O LEU A 127 -3.214 -11.484 8.829 1.00 0.00 O ATOM 2085 CB LEU A 127 -2.006 -12.078 5.555 1.00 0.00 C ATOM 2086 CG LEU A 127 -2.113 -13.041 4.371 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.870 -12.946 3.499 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -2.315 -14.469 4.860 1.00 0.00 C ATOM 0 H LEU A 127 -4.247 -10.934 5.068 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.387 -13.067 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.850 -11.071 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.119 -12.338 6.133 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.979 -12.759 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.960 -13.637 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.767 -11.929 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.009 -13.205 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.389 -15.140 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.469 -14.764 5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.232 -14.527 5.446 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.388 -9.971 7.401 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.952 -9.065 8.447 1.00 0.00 C ATOM 2102 C PHE A 128 -2.850 -7.836 8.497 1.00 0.00 C ATOM 2103 O PHE A 128 -3.314 -7.350 7.465 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.496 -8.656 8.204 1.00 0.00 C ATOM 2105 CG PHE A 128 0.161 -7.989 9.381 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.695 -8.748 10.411 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.251 -6.608 9.453 1.00 0.00 C ATOM 2108 CE1 PHE A 128 1.306 -8.139 11.492 1.00 0.00 C ATOM 2109 CE2 PHE A 128 0.860 -5.997 10.532 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.388 -6.764 11.553 1.00 0.00 C ATOM 0 H PHE A 128 -2.243 -9.624 6.453 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.021 -9.575 9.408 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.079 -9.542 7.935 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.458 -7.980 7.350 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.633 -9.825 10.369 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -0.159 -6.003 8.658 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.719 -8.740 12.288 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.923 -4.920 10.578 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.864 -6.287 12.397 1.00 0.00 H new ATOM 2120 N THR A 129 -3.112 -7.355 9.700 1.00 0.00 N ATOM 2121 CA THR A 129 -3.910 -6.158 9.894 1.00 0.00 C ATOM 2122 C THR A 129 -3.383 -5.367 11.081 1.00 0.00 C ATOM 2123 O THR A 129 -3.227 -5.913 12.175 1.00 0.00 O ATOM 2124 CB THR A 129 -5.391 -6.503 10.137 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.892 -7.281 9.046 1.00 0.00 O ATOM 2126 CG2 THR A 129 -6.229 -5.243 10.297 1.00 0.00 C ATOM 0 H THR A 129 -2.779 -7.781 10.565 1.00 0.00 H new ATOM 0 HA THR A 129 -3.836 -5.561 8.985 1.00 0.00 H new ATOM 0 HB THR A 129 -5.460 -7.078 11.060 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.052 -8.200 9.346 1.00 0.00 H new ATOM 0 HG21 THR A 129 -7.270 -5.518 10.467 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.862 -4.667 11.147 1.00 0.00 H new ATOM 0 HG23 THR A 129 -6.156 -4.640 9.392 1.00 0.00 H new ATOM 2134 N GLU A 130 -3.102 -4.099 10.866 1.00 0.00 N ATOM 2135 CA GLU A 130 -2.622 -3.249 11.938 1.00 0.00 C ATOM 2136 C GLU A 130 -3.331 -1.905 11.906 1.00 0.00 C ATOM 2137 O GLU A 130 -4.119 -1.640 10.999 1.00 0.00 O ATOM 2138 CB GLU A 130 -1.096 -3.087 11.858 1.00 0.00 C ATOM 2139 CG GLU A 130 -0.576 -2.628 10.500 1.00 0.00 C ATOM 2140 CD GLU A 130 -0.741 -1.142 10.270 1.00 0.00 C ATOM 2141 OE1 GLU A 130 0.061 -0.363 10.823 1.00 0.00 O ATOM 2142 OE2 GLU A 130 -1.649 -0.750 9.514 1.00 0.00 O ATOM 0 H GLU A 130 -3.197 -3.634 9.963 1.00 0.00 H new ATOM 0 HA GLU A 130 -2.852 -3.723 12.892 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.780 -2.369 12.615 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.629 -4.040 12.108 1.00 0.00 H new ATOM 0 HG2 GLU A 130 0.479 -2.887 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.101 -3.171 9.714 1.00 0.00 H new ATOM 2149 N SER A 131 -3.062 -1.079 12.901 1.00 0.00 N ATOM 2150 CA SER A 131 -3.692 0.222 12.997 1.00 0.00 C ATOM 2151 C SER A 131 -2.642 1.323 12.926 1.00 0.00 C ATOM 2152 O SER A 131 -1.763 1.410 13.789 1.00 0.00 O ATOM 2153 CB SER A 131 -4.472 0.328 14.308 1.00 0.00 C ATOM 2154 OG SER A 131 -5.358 -0.770 14.470 1.00 0.00 O ATOM 0 H SER A 131 -2.409 -1.289 13.656 1.00 0.00 H new ATOM 0 HA SER A 131 -4.382 0.341 12.161 1.00 0.00 H new ATOM 0 HB2 SER A 131 -3.776 0.364 15.146 1.00 0.00 H new ATOM 0 HB3 SER A 131 -5.037 1.260 14.323 1.00 0.00 H new ATOM 0 HG SER A 131 -5.842 -0.677 15.317 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.727 2.148 11.890 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.815 3.270 11.739 1.00 0.00 C ATOM 2162 C ILE A 132 -2.065 4.302 12.831 1.00 0.00 C ATOM 2163 O ILE A 132 -3.143 4.896 12.918 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.911 3.928 10.340 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -3.370 4.199 9.954 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -1.240 3.044 9.301 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.526 4.930 8.636 1.00 0.00 C ATOM 0 H ILE A 132 -3.417 2.060 11.144 1.00 0.00 H new ATOM 0 HA ILE A 132 -0.803 2.878 11.837 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.393 4.886 10.377 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.904 3.250 9.899 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.842 4.785 10.742 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.313 3.515 8.321 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -0.190 2.909 9.562 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -1.735 2.073 9.275 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -4.585 5.086 8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -3.021 5.894 8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.084 4.336 7.836 1.00 0.00 H new ATOM 2179 N GLN A 133 -1.066 4.488 13.680 1.00 0.00 N ATOM 2180 CA GLN A 133 -1.207 5.335 14.853 1.00 0.00 C ATOM 2181 C GLN A 133 -1.336 6.802 14.478 1.00 0.00 C ATOM 2182 O GLN A 133 -0.750 7.268 13.502 1.00 0.00 O ATOM 2183 CB GLN A 133 -0.030 5.122 15.806 1.00 0.00 C ATOM 2184 CG GLN A 133 0.033 3.706 16.350 1.00 0.00 C ATOM 2185 CD GLN A 133 -1.227 3.318 17.107 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -1.862 4.151 17.754 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -1.612 2.059 16.998 1.00 0.00 N ATOM 0 H GLN A 133 -0.145 4.061 13.577 1.00 0.00 H new ATOM 0 HA GLN A 133 -2.128 5.048 15.360 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.900 5.349 15.285 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -0.109 5.823 16.637 1.00 0.00 H new ATOM 0 HG2 GLN A 133 0.187 3.010 15.526 1.00 0.00 H new ATOM 0 HG3 GLN A 133 0.894 3.612 17.012 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -1.056 1.401 16.452 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -2.465 1.745 17.460 1.00 0.00 H new