USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 945 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 115 ASN : amide:sc= -0.849 K(o=-0.98,f=-9.2!) USER MOD Set 1.2: A 118 GLN : amide:sc= -0.133 K(o=-0.98,f=-3) USER MOD Set 2.1: A 90 THR OG1 : rot 171:sc= -1.63! USER MOD Set 2.2: A 108 CYS SG : rot -57:sc= 1.25 USER MOD Set 2.3: A 110 ASN : amide:sc= 2.38 K(o=2,f=-4.5!) USER MOD Set 3.1: A 5 ASN : amide:sc= -1.13 K(o=-3.3,f=-6.2!) USER MOD Set 3.2: A 27 HIS : no HD1:sc= -0.293 K(o=-3.3,f=-2.6) USER MOD Set 3.3: A 36 GLN : amide:sc= -1.89 K(o=-3.3,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0783 (180deg=0) USER MOD Single : A 3 MET CE :methyl -157:sc= -0.218 (180deg=-0.835) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.527 USER MOD Single : A 8 GLN : amide:sc= -4.39! K(o=-4.4!,f=-3.2) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 14 SER OG : rot 119:sc= 0.258 USER MOD Single : A 16 HIS : no HE2:sc= -4.95! C(o=-5!,f=-3.1!) USER MOD Single : A 17 ASN : amide:sc= -0.551 K(o=-0.55,f=-8.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -78:sc= -1.5 USER MOD Single : A 32 THR OG1 : rot -84:sc= 0.106 USER MOD Single : A 35 TYR OH : rot -129:sc= 1.5 USER MOD Single : A 38 GLN : amide:sc= -0.59 K(o=-0.59,f=-1.4!) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.025 (180deg=-0.287) USER MOD Single : A 44 ASN : amide:sc= 1.18 K(o=1.2,f=-6!) USER MOD Single : A 49 CYS SG : rot 55:sc= -3.77! USER MOD Single : A 50 HIS : no HE2:sc= -5.86! C(o=-4.5!,f=-11!) USER MOD Single : A 54 GLN : amide:sc= 0.663 K(o=0.66,f=-0.44) USER MOD Single : A 55 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.5!) USER MOD Single : A 60 SER OG : rot -83:sc= 0.282 USER MOD Single : A 62 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.11) USER MOD Single : A 63 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.21) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc=-0.00204 (180deg=-0.16) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.041) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 147:sc= 0 (180deg=-0.933) USER MOD Single : A 80 SER OG : rot 180:sc= -0.177 USER MOD Single : A 81 LYS NZ :NH3+ -167:sc= 0.713 (180deg=0.253) USER MOD Single : A 82 ASN : amide:sc= 1.27 K(o=1.3,f=-0.25) USER MOD Single : A 83 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.66) USER MOD Single : A 88 MET CE :methyl 165:sc= -7.99! (180deg=-9.14!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 136:sc= -3.36! USER MOD Single : A 94 THR OG1 : rot -128:sc= -1.4! USER MOD Single : A 96 GLN : amide:sc= -2.79! C(o=-2.8!,f=-2.1!) USER MOD Single : A 97 ASN : amide:sc= 0.144 K(o=0.14,f=-7.7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0402 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -91:sc= 2.1 USER MOD Single : A 112 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.83) USER MOD Single : A 114 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0411) USER MOD Single : A 116 SER OG : rot -110:sc= 0.643 USER MOD Single : A 117 SER OG : rot -116:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.864 20.215 6.196 1.00 0.00 N ATOM 2 CA GLY A 1 -0.073 19.079 6.048 1.00 0.00 C ATOM 3 C GLY A 1 -0.325 18.746 4.596 1.00 0.00 C ATOM 4 O GLY A 1 0.406 19.199 3.712 1.00 0.00 O ATOM 0 H1 GLY A 1 1.678 19.921 6.772 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.195 20.517 5.257 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.378 21.007 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.333 18.204 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.018 19.321 6.535 1.00 0.00 H new ATOM 10 N ALA A 2 -1.361 17.958 4.340 1.00 0.00 N ATOM 11 CA ALA A 2 -1.719 17.578 2.984 1.00 0.00 C ATOM 12 C ALA A 2 -3.221 17.659 2.789 1.00 0.00 C ATOM 13 O ALA A 2 -3.989 17.350 3.703 1.00 0.00 O ATOM 14 CB ALA A 2 -1.219 16.177 2.670 1.00 0.00 C ATOM 0 H ALA A 2 -1.970 17.569 5.060 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.242 18.276 2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.497 15.911 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.134 16.147 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.667 15.467 3.365 1.00 0.00 H new ATOM 20 N MET A 3 -3.622 18.054 1.590 1.00 0.00 N ATOM 21 CA MET A 3 -5.025 18.249 1.246 1.00 0.00 C ATOM 22 C MET A 3 -5.125 18.805 -0.171 1.00 0.00 C ATOM 23 O MET A 3 -6.073 18.515 -0.904 1.00 0.00 O ATOM 24 CB MET A 3 -5.735 19.202 2.223 1.00 0.00 C ATOM 25 CG MET A 3 -5.197 20.619 2.220 1.00 0.00 C ATOM 26 SD MET A 3 -6.133 21.729 3.292 1.00 0.00 S ATOM 27 CE MET A 3 -7.750 21.657 2.523 1.00 0.00 C ATOM 0 H MET A 3 -2.980 18.250 0.822 1.00 0.00 H new ATOM 0 HA MET A 3 -5.521 17.281 1.312 1.00 0.00 H new ATOM 0 HB2 MET A 3 -6.797 19.229 1.978 1.00 0.00 H new ATOM 0 HB3 MET A 3 -5.651 18.797 3.231 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.155 20.607 2.539 1.00 0.00 H new ATOM 0 HG3 MET A 3 -5.214 21.006 1.201 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.316 22.552 2.781 1.00 0.00 H new ATOM 0 HE2 MET A 3 -7.636 21.600 1.441 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.283 20.775 2.879 1.00 0.00 H new ATOM 37 N ASP A 4 -4.131 19.610 -0.547 1.00 0.00 N ATOM 38 CA ASP A 4 -4.060 20.197 -1.883 1.00 0.00 C ATOM 39 C ASP A 4 -3.435 19.201 -2.845 1.00 0.00 C ATOM 40 O ASP A 4 -2.271 19.333 -3.233 1.00 0.00 O ATOM 41 CB ASP A 4 -3.230 21.485 -1.879 1.00 0.00 C ATOM 42 CG ASP A 4 -3.815 22.570 -1.000 1.00 0.00 C ATOM 43 OD1 ASP A 4 -3.523 22.585 0.214 1.00 0.00 O ATOM 44 OD2 ASP A 4 -4.553 23.428 -1.523 1.00 0.00 O ATOM 0 H ASP A 4 -3.357 19.872 0.063 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.074 20.440 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.220 21.257 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.147 21.859 -2.899 1.00 0.00 H new ATOM 49 N ASN A 5 -4.210 18.201 -3.216 1.00 0.00 N ATOM 50 CA ASN A 5 -3.706 17.106 -4.028 1.00 0.00 C ATOM 51 C ASN A 5 -4.281 17.176 -5.433 1.00 0.00 C ATOM 52 O ASN A 5 -5.487 17.013 -5.630 1.00 0.00 O ATOM 53 CB ASN A 5 -4.061 15.765 -3.381 1.00 0.00 C ATOM 54 CG ASN A 5 -3.410 15.556 -2.022 1.00 0.00 C ATOM 55 OD1 ASN A 5 -3.083 16.504 -1.309 1.00 0.00 O ATOM 56 ND2 ASN A 5 -3.218 14.304 -1.645 1.00 0.00 N ATOM 0 H ASN A 5 -5.196 18.122 -2.968 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.621 17.193 -4.092 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.143 15.699 -3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.759 14.957 -4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.789 14.104 -0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.499 13.538 -2.257 1.00 0.00 H new ATOM 63 N VAL A 6 -3.416 17.428 -6.400 1.00 0.00 N ATOM 64 CA VAL A 6 -3.825 17.540 -7.789 1.00 0.00 C ATOM 65 C VAL A 6 -2.697 17.071 -8.712 1.00 0.00 C ATOM 66 O VAL A 6 -1.521 17.133 -8.339 1.00 0.00 O ATOM 67 CB VAL A 6 -4.226 18.997 -8.133 1.00 0.00 C ATOM 68 CG1 VAL A 6 -3.028 19.933 -8.037 1.00 0.00 C ATOM 69 CG2 VAL A 6 -4.872 19.084 -9.509 1.00 0.00 C ATOM 0 H VAL A 6 -2.416 17.560 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.696 16.902 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.964 19.316 -7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.339 20.948 -8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.630 19.912 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.257 19.610 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.141 20.119 -9.720 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.169 18.731 -10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.768 18.464 -9.530 1.00 0.00 H new ATOM 79 N CYS A 7 -3.070 16.576 -9.892 1.00 0.00 N ATOM 80 CA CYS A 7 -2.110 16.158 -10.917 1.00 0.00 C ATOM 81 C CYS A 7 -1.301 14.945 -10.475 1.00 0.00 C ATOM 82 O CYS A 7 -0.082 14.900 -10.639 1.00 0.00 O ATOM 83 CB CYS A 7 -1.170 17.314 -11.285 1.00 0.00 C ATOM 84 SG CYS A 7 -2.009 18.770 -11.951 1.00 0.00 S ATOM 0 H CYS A 7 -4.045 16.453 -10.165 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.684 15.873 -11.799 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.608 17.607 -10.398 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.446 16.959 -12.018 1.00 0.00 H new ATOM 0 HG CYS A 7 -1.131 19.688 -12.228 1.00 0.00 H new ATOM 90 N GLN A 8 -1.980 13.956 -9.926 1.00 0.00 N ATOM 91 CA GLN A 8 -1.311 12.752 -9.471 1.00 0.00 C ATOM 92 C GLN A 8 -1.817 11.518 -10.224 1.00 0.00 C ATOM 93 O GLN A 8 -2.999 11.432 -10.567 1.00 0.00 O ATOM 94 CB GLN A 8 -1.491 12.570 -7.960 1.00 0.00 C ATOM 95 CG GLN A 8 -2.886 12.135 -7.530 1.00 0.00 C ATOM 96 CD GLN A 8 -3.902 13.256 -7.560 1.00 0.00 C ATOM 97 OE1 GLN A 8 -3.571 14.416 -7.341 1.00 0.00 O ATOM 98 NE2 GLN A 8 -5.150 12.915 -7.837 1.00 0.00 N ATOM 0 H GLN A 8 -2.990 13.962 -9.785 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.247 12.863 -9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.771 11.831 -7.609 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.250 13.510 -7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.225 11.330 -8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.836 11.727 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.385 11.938 -8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.877 13.629 -7.874 1.00 0.00 H new ATOM 107 N PRO A 9 -0.909 10.570 -10.523 1.00 0.00 N ATOM 108 CA PRO A 9 -1.253 9.288 -11.153 1.00 0.00 C ATOM 109 C PRO A 9 -2.104 8.406 -10.237 1.00 0.00 C ATOM 110 O PRO A 9 -2.166 8.629 -9.029 1.00 0.00 O ATOM 111 CB PRO A 9 0.110 8.623 -11.400 1.00 0.00 C ATOM 112 CG PRO A 9 1.113 9.716 -11.278 1.00 0.00 C ATOM 113 CD PRO A 9 0.538 10.688 -10.292 1.00 0.00 C ATOM 0 HA PRO A 9 -1.843 9.431 -12.058 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.299 7.834 -10.673 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.149 8.163 -12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.072 9.330 -10.933 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.290 10.194 -12.241 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.806 10.431 -9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.894 11.703 -10.470 1.00 0.00 H new ATOM 121 N THR A 10 -2.737 7.393 -10.823 1.00 0.00 N ATOM 122 CA THR A 10 -3.645 6.519 -10.097 1.00 0.00 C ATOM 123 C THR A 10 -2.890 5.468 -9.288 1.00 0.00 C ATOM 124 O THR A 10 -3.487 4.568 -8.700 1.00 0.00 O ATOM 125 CB THR A 10 -4.608 5.825 -11.072 1.00 0.00 C ATOM 126 OG1 THR A 10 -4.499 6.442 -12.365 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.040 5.930 -10.575 1.00 0.00 C ATOM 0 H THR A 10 -2.634 7.158 -11.810 1.00 0.00 H new ATOM 0 HA THR A 10 -4.211 7.140 -9.402 1.00 0.00 H new ATOM 0 HB THR A 10 -4.342 4.770 -11.141 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.111 6.001 -12.991 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.707 5.433 -11.279 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.122 5.453 -9.598 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.320 6.980 -10.490 1.00 0.00 H new ATOM 135 N GLU A 11 -1.578 5.594 -9.258 1.00 0.00 N ATOM 136 CA GLU A 11 -0.746 4.754 -8.416 1.00 0.00 C ATOM 137 C GLU A 11 -0.166 5.606 -7.307 1.00 0.00 C ATOM 138 O GLU A 11 0.320 6.708 -7.566 1.00 0.00 O ATOM 139 CB GLU A 11 0.400 4.128 -9.214 1.00 0.00 C ATOM 140 CG GLU A 11 -0.039 3.236 -10.361 1.00 0.00 C ATOM 141 CD GLU A 11 1.143 2.600 -11.063 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.719 3.236 -11.966 1.00 0.00 O ATOM 143 OE2 GLU A 11 1.517 1.469 -10.696 1.00 0.00 O ATOM 0 H GLU A 11 -1.060 6.276 -9.812 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.360 3.950 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.026 4.927 -9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.021 3.544 -8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.700 2.456 -9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.615 3.822 -11.077 1.00 0.00 H new ATOM 150 N PHE A 12 -0.195 5.122 -6.080 1.00 0.00 N ATOM 151 CA PHE A 12 0.381 5.889 -4.992 1.00 0.00 C ATOM 152 C PHE A 12 1.559 5.152 -4.391 1.00 0.00 C ATOM 153 O PHE A 12 1.514 3.940 -4.173 1.00 0.00 O ATOM 154 CB PHE A 12 -0.660 6.273 -3.923 1.00 0.00 C ATOM 155 CG PHE A 12 -1.051 5.197 -2.941 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.993 4.242 -3.271 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.504 5.178 -1.667 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.384 3.286 -2.351 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.884 4.219 -0.745 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.828 3.272 -1.087 1.00 0.00 C ATOM 0 H PHE A 12 -0.600 4.224 -5.815 1.00 0.00 H new ATOM 0 HA PHE A 12 0.742 6.829 -5.410 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.273 7.123 -3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.562 6.613 -4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.429 4.242 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.229 5.922 -1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.126 2.549 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.443 4.211 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.130 2.524 -0.369 1.00 0.00 H new ATOM 170 N ILE A 13 2.631 5.891 -4.169 1.00 0.00 N ATOM 171 CA ILE A 13 3.840 5.334 -3.604 1.00 0.00 C ATOM 172 C ILE A 13 3.969 5.783 -2.161 1.00 0.00 C ATOM 173 O ILE A 13 3.868 6.972 -1.857 1.00 0.00 O ATOM 174 CB ILE A 13 5.110 5.748 -4.395 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.027 5.280 -5.854 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.364 5.185 -3.737 1.00 0.00 C ATOM 177 CD1 ILE A 13 4.212 6.188 -6.752 1.00 0.00 C ATOM 0 H ILE A 13 2.685 6.889 -4.375 1.00 0.00 H new ATOM 0 HA ILE A 13 3.763 4.248 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 13 5.167 6.836 -4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.037 5.201 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.595 4.280 -5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.242 5.488 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.444 5.567 -2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.305 4.097 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.204 5.786 -7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.190 6.249 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.655 7.184 -6.761 1.00 0.00 H new ATOM 189 N SER A 14 4.158 4.829 -1.276 1.00 0.00 N ATOM 190 CA SER A 14 4.289 5.122 0.133 1.00 0.00 C ATOM 191 C SER A 14 5.362 4.253 0.759 1.00 0.00 C ATOM 192 O SER A 14 5.580 3.119 0.337 1.00 0.00 O ATOM 193 CB SER A 14 2.954 4.900 0.842 1.00 0.00 C ATOM 194 OG SER A 14 1.940 5.697 0.262 1.00 0.00 O ATOM 0 H SER A 14 4.225 3.838 -1.510 1.00 0.00 H new ATOM 0 HA SER A 14 4.580 6.167 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.675 3.848 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.054 5.143 1.900 1.00 0.00 H new ATOM 0 HG SER A 14 1.236 5.119 -0.099 1.00 0.00 H new ATOM 200 N ARG A 15 6.031 4.786 1.759 1.00 0.00 N ATOM 201 CA ARG A 15 7.025 4.036 2.495 1.00 0.00 C ATOM 202 C ARG A 15 6.419 3.675 3.839 1.00 0.00 C ATOM 203 O ARG A 15 5.961 4.554 4.572 1.00 0.00 O ATOM 204 CB ARG A 15 8.301 4.865 2.668 1.00 0.00 C ATOM 205 CG ARG A 15 8.837 5.430 1.359 1.00 0.00 C ATOM 206 CD ARG A 15 10.079 6.282 1.572 1.00 0.00 C ATOM 207 NE ARG A 15 10.499 6.953 0.342 1.00 0.00 N ATOM 208 CZ ARG A 15 11.688 7.529 0.170 1.00 0.00 C ATOM 209 NH1 ARG A 15 12.609 7.463 1.123 1.00 0.00 N ATOM 210 NH2 ARG A 15 11.959 8.157 -0.968 1.00 0.00 N ATOM 0 H ARG A 15 5.902 5.745 2.083 1.00 0.00 H new ATOM 0 HA ARG A 15 7.304 3.131 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.101 5.687 3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.069 4.244 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.072 4.611 0.680 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.064 6.030 0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.880 7.027 2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.891 5.654 1.938 1.00 0.00 H new ATOM 0 HE ARG A 15 9.838 6.982 -0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.408 6.969 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.518 7.906 0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.258 8.198 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.868 8.599 -1.103 1.00 0.00 H new ATOM 224 N HIS A 16 6.362 2.393 4.151 1.00 0.00 N ATOM 225 CA HIS A 16 5.656 1.971 5.349 1.00 0.00 C ATOM 226 C HIS A 16 6.476 1.015 6.200 1.00 0.00 C ATOM 227 O HIS A 16 7.328 0.275 5.705 1.00 0.00 O ATOM 228 CB HIS A 16 4.275 1.367 5.012 1.00 0.00 C ATOM 229 CG HIS A 16 4.274 0.080 4.238 1.00 0.00 C ATOM 230 ND1 HIS A 16 3.228 -0.820 4.301 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.158 -0.441 3.359 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.473 -1.837 3.496 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.636 -1.630 2.910 1.00 0.00 N ATOM 0 H HIS A 16 6.785 1.641 3.607 1.00 0.00 H new ATOM 0 HA HIS A 16 5.494 2.870 5.944 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.738 1.203 5.946 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.709 2.106 4.445 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.395 -0.715 4.880 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.100 -0.004 3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.831 -2.692 3.343 1.00 0.00 H new ATOM 242 N ASN A 17 6.171 1.056 7.484 1.00 0.00 N ATOM 243 CA ASN A 17 6.796 0.218 8.489 1.00 0.00 C ATOM 244 C ASN A 17 6.435 -1.240 8.237 1.00 0.00 C ATOM 245 O ASN A 17 5.344 -1.533 7.734 1.00 0.00 O ATOM 246 CB ASN A 17 6.317 0.688 9.875 1.00 0.00 C ATOM 247 CG ASN A 17 5.969 -0.445 10.819 1.00 0.00 C ATOM 248 OD1 ASN A 17 4.865 -0.977 10.776 1.00 0.00 O ATOM 249 ND2 ASN A 17 6.888 -0.795 11.699 1.00 0.00 N ATOM 0 H ASN A 17 5.466 1.687 7.865 1.00 0.00 H new ATOM 0 HA ASN A 17 7.882 0.300 8.443 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.095 1.301 10.329 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.442 1.326 9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.691 -1.532 12.376 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.795 -0.328 11.702 1.00 0.00 H new ATOM 256 N ILE A 18 7.362 -2.130 8.598 1.00 0.00 N ATOM 257 CA ILE A 18 7.299 -3.561 8.269 1.00 0.00 C ATOM 258 C ILE A 18 5.987 -4.236 8.669 1.00 0.00 C ATOM 259 O ILE A 18 5.632 -5.280 8.123 1.00 0.00 O ATOM 260 CB ILE A 18 8.469 -4.320 8.929 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.451 -4.113 10.449 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.794 -3.856 8.338 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.550 -4.854 11.181 1.00 0.00 C ATOM 0 H ILE A 18 8.191 -1.876 9.135 1.00 0.00 H new ATOM 0 HA ILE A 18 7.367 -3.609 7.182 1.00 0.00 H new ATOM 0 HB ILE A 18 8.355 -5.385 8.729 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.540 -3.048 10.662 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.486 -4.437 10.839 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.613 -4.398 8.811 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.802 -4.050 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.917 -2.787 8.514 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.471 -4.658 12.250 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.450 -5.924 11.000 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.521 -4.514 10.820 1.00 0.00 H new ATOM 275 N GLU A 19 5.274 -3.643 9.607 1.00 0.00 N ATOM 276 CA GLU A 19 4.024 -4.204 10.093 1.00 0.00 C ATOM 277 C GLU A 19 2.853 -3.745 9.230 1.00 0.00 C ATOM 278 O GLU A 19 1.715 -4.168 9.431 1.00 0.00 O ATOM 279 CB GLU A 19 3.818 -3.786 11.545 1.00 0.00 C ATOM 280 CG GLU A 19 5.032 -4.071 12.410 1.00 0.00 C ATOM 281 CD GLU A 19 5.162 -5.533 12.788 1.00 0.00 C ATOM 282 OE1 GLU A 19 5.610 -6.337 11.946 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.815 -5.885 13.938 1.00 0.00 O ATOM 0 H GLU A 19 5.541 -2.765 10.052 1.00 0.00 H new ATOM 0 HA GLU A 19 4.073 -5.291 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.590 -2.721 11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.954 -4.312 11.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.931 -3.758 11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.973 -3.471 13.318 1.00 0.00 H new ATOM 290 N GLY A 20 3.140 -2.881 8.260 1.00 0.00 N ATOM 291 CA GLY A 20 2.111 -2.396 7.368 1.00 0.00 C ATOM 292 C GLY A 20 1.653 -0.992 7.704 1.00 0.00 C ATOM 293 O GLY A 20 0.638 -0.530 7.184 1.00 0.00 O ATOM 0 H GLY A 20 4.072 -2.509 8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.486 -2.415 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.256 -3.071 7.407 1.00 0.00 H new ATOM 297 N ILE A 21 2.411 -0.296 8.545 1.00 0.00 N ATOM 298 CA ILE A 21 2.009 1.034 9.014 1.00 0.00 C ATOM 299 C ILE A 21 2.559 2.123 8.105 1.00 0.00 C ATOM 300 O ILE A 21 3.762 2.208 7.901 1.00 0.00 O ATOM 301 CB ILE A 21 2.501 1.302 10.457 1.00 0.00 C ATOM 302 CG1 ILE A 21 1.917 0.275 11.430 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.138 2.716 10.894 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.408 0.332 11.546 1.00 0.00 C ATOM 0 H ILE A 21 3.302 -0.624 8.916 1.00 0.00 H new ATOM 0 HA ILE A 21 0.919 1.055 8.997 1.00 0.00 H new ATOM 0 HB ILE A 21 3.587 1.205 10.468 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.210 -0.724 11.108 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.354 0.433 12.416 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.492 2.885 11.911 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.606 3.436 10.222 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.056 2.840 10.862 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.069 -0.425 12.253 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.107 1.319 11.898 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.039 0.143 10.570 1.00 0.00 H new ATOM 316 N PHE A 22 1.688 2.962 7.568 1.00 0.00 N ATOM 317 CA PHE A 22 2.124 4.029 6.677 1.00 0.00 C ATOM 318 C PHE A 22 2.789 5.154 7.460 1.00 0.00 C ATOM 319 O PHE A 22 2.180 5.752 8.349 1.00 0.00 O ATOM 320 CB PHE A 22 0.948 4.569 5.873 1.00 0.00 C ATOM 321 CG PHE A 22 0.393 3.577 4.891 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.974 3.422 3.642 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.702 2.799 5.217 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.467 2.510 2.736 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.211 1.886 4.317 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.628 1.741 3.075 1.00 0.00 C ATOM 0 H PHE A 22 0.682 2.927 7.731 1.00 0.00 H new ATOM 0 HA PHE A 22 2.857 3.613 5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.157 4.872 6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.264 5.463 5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.832 4.020 3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.164 2.907 6.187 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.926 2.399 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.067 1.284 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.027 1.027 2.370 1.00 0.00 H new ATOM 336 N THR A 23 4.047 5.419 7.135 1.00 0.00 N ATOM 337 CA THR A 23 4.807 6.469 7.790 1.00 0.00 C ATOM 338 C THR A 23 5.060 7.640 6.839 1.00 0.00 C ATOM 339 O THR A 23 5.161 8.789 7.270 1.00 0.00 O ATOM 340 CB THR A 23 6.150 5.925 8.313 1.00 0.00 C ATOM 341 OG1 THR A 23 6.775 5.122 7.304 1.00 0.00 O ATOM 342 CG2 THR A 23 5.944 5.097 9.571 1.00 0.00 C ATOM 0 H THR A 23 4.564 4.915 6.415 1.00 0.00 H new ATOM 0 HA THR A 23 4.216 6.826 8.633 1.00 0.00 H new ATOM 0 HB THR A 23 6.793 6.771 8.556 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.629 4.780 7.641 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.906 4.723 9.922 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.491 5.717 10.345 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.287 4.256 9.349 1.00 0.00 H new ATOM 350 N PHE A 24 5.161 7.344 5.547 1.00 0.00 N ATOM 351 CA PHE A 24 5.343 8.375 4.533 1.00 0.00 C ATOM 352 C PHE A 24 4.492 8.064 3.308 1.00 0.00 C ATOM 353 O PHE A 24 4.660 7.022 2.679 1.00 0.00 O ATOM 354 CB PHE A 24 6.822 8.479 4.139 1.00 0.00 C ATOM 355 CG PHE A 24 7.098 9.501 3.071 1.00 0.00 C ATOM 356 CD1 PHE A 24 7.152 10.851 3.382 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.303 9.110 1.755 1.00 0.00 C ATOM 358 CE1 PHE A 24 7.407 11.791 2.402 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.558 10.048 0.773 1.00 0.00 C ATOM 360 CZ PHE A 24 7.610 11.390 1.097 1.00 0.00 C ATOM 0 H PHE A 24 5.120 6.394 5.177 1.00 0.00 H new ATOM 0 HA PHE A 24 5.025 9.332 4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.407 8.726 5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.165 7.504 3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.993 11.171 4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.263 8.062 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.447 12.840 2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.717 9.732 -0.248 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.809 12.124 0.330 1.00 0.00 H new ATOM 370 N VAL A 25 3.582 8.968 2.974 1.00 0.00 N ATOM 371 CA VAL A 25 2.687 8.773 1.840 1.00 0.00 C ATOM 372 C VAL A 25 2.735 9.974 0.901 1.00 0.00 C ATOM 373 O VAL A 25 2.727 11.120 1.352 1.00 0.00 O ATOM 374 CB VAL A 25 1.225 8.562 2.298 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.296 8.431 1.098 1.00 0.00 C ATOM 376 CG2 VAL A 25 1.113 7.342 3.199 1.00 0.00 C ATOM 0 H VAL A 25 3.443 9.847 3.473 1.00 0.00 H new ATOM 0 HA VAL A 25 3.029 7.879 1.318 1.00 0.00 H new ATOM 0 HB VAL A 25 0.920 9.438 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.727 8.283 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.348 9.339 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.601 7.577 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.076 7.213 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.442 6.457 2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.740 7.481 4.079 1.00 0.00 H new ATOM 386 N ASP A 26 2.797 9.708 -0.399 1.00 0.00 N ATOM 387 CA ASP A 26 2.771 10.760 -1.407 1.00 0.00 C ATOM 388 C ASP A 26 1.332 11.078 -1.816 1.00 0.00 C ATOM 389 O ASP A 26 0.449 10.222 -1.757 1.00 0.00 O ATOM 390 CB ASP A 26 3.597 10.353 -2.633 1.00 0.00 C ATOM 391 CG ASP A 26 3.693 11.464 -3.666 1.00 0.00 C ATOM 392 OD1 ASP A 26 3.800 12.642 -3.272 1.00 0.00 O ATOM 393 OD2 ASP A 26 3.644 11.165 -4.877 1.00 0.00 O ATOM 0 H ASP A 26 2.866 8.765 -0.781 1.00 0.00 H new ATOM 0 HA ASP A 26 3.214 11.658 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.600 10.071 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.149 9.472 -3.093 1.00 0.00 H new ATOM 398 N HIS A 27 1.123 12.330 -2.217 1.00 0.00 N ATOM 399 CA HIS A 27 -0.204 12.904 -2.490 1.00 0.00 C ATOM 400 C HIS A 27 -1.029 12.106 -3.498 1.00 0.00 C ATOM 401 O HIS A 27 -2.239 12.309 -3.596 1.00 0.00 O ATOM 402 CB HIS A 27 -0.040 14.335 -2.996 1.00 0.00 C ATOM 403 CG HIS A 27 0.572 15.274 -2.001 1.00 0.00 C ATOM 404 ND1 HIS A 27 1.913 15.590 -1.990 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.018 15.978 -0.987 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.153 16.443 -1.011 1.00 0.00 C ATOM 407 NE2 HIS A 27 1.021 16.697 -0.388 1.00 0.00 N ATOM 0 H HIS A 27 1.884 12.993 -2.366 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.752 12.875 -1.548 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.578 14.322 -3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.017 14.719 -3.287 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.024 15.975 -0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.117 16.862 -0.763 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.909 17.325 0.408 1.00 0.00 H new ATOM 416 N ARG A 28 -0.389 11.206 -4.233 1.00 0.00 N ATOM 417 CA ARG A 28 -1.090 10.343 -5.184 1.00 0.00 C ATOM 418 C ARG A 28 -2.101 9.447 -4.463 1.00 0.00 C ATOM 419 O ARG A 28 -2.952 8.819 -5.092 1.00 0.00 O ATOM 420 CB ARG A 28 -0.079 9.494 -5.950 1.00 0.00 C ATOM 421 CG ARG A 28 1.028 10.326 -6.569 1.00 0.00 C ATOM 422 CD ARG A 28 2.094 9.472 -7.227 1.00 0.00 C ATOM 423 NE ARG A 28 3.302 10.252 -7.481 1.00 0.00 N ATOM 424 CZ ARG A 28 4.135 10.057 -8.503 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.931 9.068 -9.362 1.00 0.00 N ATOM 426 NH2 ARG A 28 5.189 10.849 -8.647 1.00 0.00 N ATOM 0 H ARG A 28 0.618 11.052 -4.191 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.637 10.970 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.358 8.758 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.595 8.940 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.600 11.002 -7.309 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.487 10.946 -5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.332 8.623 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.714 9.067 -8.165 1.00 0.00 H new ATOM 0 HE ARG A 28 3.525 11.002 -6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.130 8.447 -9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.575 8.928 -10.141 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.357 11.601 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.831 10.706 -9.426 1.00 0.00 H new ATOM 440 N CYS A 29 -1.995 9.416 -3.136 1.00 0.00 N ATOM 441 CA CYS A 29 -2.887 8.645 -2.278 1.00 0.00 C ATOM 442 C CYS A 29 -4.359 8.916 -2.593 1.00 0.00 C ATOM 443 O CYS A 29 -5.175 7.991 -2.625 1.00 0.00 O ATOM 444 CB CYS A 29 -2.586 8.980 -0.816 1.00 0.00 C ATOM 445 SG CYS A 29 -3.413 7.911 0.382 1.00 0.00 S ATOM 0 H CYS A 29 -1.280 9.931 -2.623 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.711 7.585 -2.463 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.509 8.919 -0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.878 10.013 -0.625 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.658 8.267 0.494 1.00 0.00 H new ATOM 451 N VAL A 30 -4.693 10.174 -2.860 1.00 0.00 N ATOM 452 CA VAL A 30 -6.083 10.560 -3.088 1.00 0.00 C ATOM 453 C VAL A 30 -6.629 9.956 -4.375 1.00 0.00 C ATOM 454 O VAL A 30 -7.805 9.602 -4.457 1.00 0.00 O ATOM 455 CB VAL A 30 -6.259 12.086 -3.140 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.997 12.695 -1.777 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.351 12.707 -4.188 1.00 0.00 C ATOM 0 H VAL A 30 -4.024 10.942 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.645 10.170 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.290 12.298 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.126 13.776 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.699 12.282 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.978 12.466 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.497 13.787 -4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.312 12.485 -3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.592 12.295 -5.168 1.00 0.00 H new ATOM 467 N ALA A 31 -5.771 9.831 -5.372 1.00 0.00 N ATOM 468 CA ALA A 31 -6.190 9.287 -6.656 1.00 0.00 C ATOM 469 C ALA A 31 -6.492 7.800 -6.537 1.00 0.00 C ATOM 470 O ALA A 31 -7.560 7.337 -6.945 1.00 0.00 O ATOM 471 CB ALA A 31 -5.126 9.523 -7.714 1.00 0.00 C ATOM 0 H ALA A 31 -4.787 10.096 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.101 9.803 -6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.460 9.108 -8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.955 10.594 -7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.198 9.036 -7.412 1.00 0.00 H new ATOM 477 N THR A 32 -5.545 7.056 -5.985 1.00 0.00 N ATOM 478 CA THR A 32 -5.697 5.622 -5.821 1.00 0.00 C ATOM 479 C THR A 32 -6.754 5.245 -4.779 1.00 0.00 C ATOM 480 O THR A 32 -7.679 4.490 -5.082 1.00 0.00 O ATOM 481 CB THR A 32 -4.354 4.990 -5.422 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.299 5.599 -6.171 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.353 3.495 -5.691 1.00 0.00 C ATOM 0 H THR A 32 -4.659 7.427 -5.642 1.00 0.00 H new ATOM 0 HA THR A 32 -6.033 5.237 -6.784 1.00 0.00 H new ATOM 0 HB THR A 32 -4.204 5.153 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.224 5.162 -7.045 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.391 3.074 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.147 3.021 -5.114 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.521 3.316 -6.753 1.00 0.00 H new ATOM 491 N VAL A 33 -6.641 5.773 -3.561 1.00 0.00 N ATOM 492 CA VAL A 33 -7.454 5.269 -2.453 1.00 0.00 C ATOM 493 C VAL A 33 -8.285 6.363 -1.784 1.00 0.00 C ATOM 494 O VAL A 33 -8.871 6.144 -0.730 1.00 0.00 O ATOM 495 CB VAL A 33 -6.580 4.578 -1.385 1.00 0.00 C ATOM 496 CG1 VAL A 33 -5.752 3.474 -2.014 1.00 0.00 C ATOM 497 CG2 VAL A 33 -5.681 5.576 -0.676 1.00 0.00 C ATOM 0 H VAL A 33 -6.008 6.535 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.138 4.544 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.245 4.140 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.141 2.996 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.414 2.734 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.105 3.897 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.079 5.057 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.025 6.055 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.293 6.333 -0.185 1.00 0.00 H new ATOM 507 N GLY A 34 -8.327 7.539 -2.388 1.00 0.00 N ATOM 508 CA GLY A 34 -9.157 8.617 -1.861 1.00 0.00 C ATOM 509 C GLY A 34 -8.562 9.318 -0.647 1.00 0.00 C ATOM 510 O GLY A 34 -8.800 10.508 -0.437 1.00 0.00 O ATOM 0 H GLY A 34 -7.805 7.773 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.322 9.353 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.133 8.213 -1.592 1.00 0.00 H new ATOM 514 N TYR A 35 -7.793 8.582 0.145 1.00 0.00 N ATOM 515 CA TYR A 35 -7.256 9.102 1.397 1.00 0.00 C ATOM 516 C TYR A 35 -6.179 10.140 1.145 1.00 0.00 C ATOM 517 O TYR A 35 -5.437 10.066 0.166 1.00 0.00 O ATOM 518 CB TYR A 35 -6.648 7.973 2.243 1.00 0.00 C ATOM 519 CG TYR A 35 -7.623 6.891 2.659 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.924 7.206 3.019 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.238 5.558 2.694 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.816 6.229 3.402 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.124 4.570 3.076 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.415 4.913 3.429 1.00 0.00 C ATOM 525 OH TYR A 35 -10.312 3.939 3.799 1.00 0.00 O ATOM 0 H TYR A 35 -7.526 7.619 -0.058 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.088 9.561 1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.836 7.513 1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.207 8.408 3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.244 8.237 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.229 5.289 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.825 6.494 3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.810 3.537 3.099 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.918 3.381 4.502 1.00 0.00 H new ATOM 535 N GLN A 36 -6.099 11.102 2.044 1.00 0.00 N ATOM 536 CA GLN A 36 -4.993 12.038 2.059 1.00 0.00 C ATOM 537 C GLN A 36 -3.812 11.359 2.723 1.00 0.00 C ATOM 538 O GLN A 36 -4.017 10.533 3.614 1.00 0.00 O ATOM 539 CB GLN A 36 -5.350 13.307 2.838 1.00 0.00 C ATOM 540 CG GLN A 36 -6.443 14.152 2.209 1.00 0.00 C ATOM 541 CD GLN A 36 -5.982 14.839 0.944 1.00 0.00 C ATOM 542 OE1 GLN A 36 -4.790 15.089 0.763 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.922 15.176 0.075 1.00 0.00 N ATOM 0 H GLN A 36 -6.791 11.256 2.777 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.756 12.328 1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.662 13.024 3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.453 13.917 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.303 13.521 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.777 14.902 2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.898 14.949 0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.670 15.663 -0.785 1.00 0.00 H new ATOM 552 N PRO A 37 -2.576 11.663 2.306 1.00 0.00 N ATOM 553 CA PRO A 37 -1.383 11.064 2.911 1.00 0.00 C ATOM 554 C PRO A 37 -1.457 11.096 4.435 1.00 0.00 C ATOM 555 O PRO A 37 -1.234 10.088 5.104 1.00 0.00 O ATOM 556 CB PRO A 37 -0.256 11.958 2.402 1.00 0.00 C ATOM 557 CG PRO A 37 -0.745 12.471 1.092 1.00 0.00 C ATOM 558 CD PRO A 37 -2.240 12.599 1.220 1.00 0.00 C ATOM 0 HA PRO A 37 -1.255 10.013 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.053 12.774 3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.672 11.399 2.287 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.291 13.434 0.857 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.481 11.789 0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.536 13.619 1.464 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.746 12.334 0.292 1.00 0.00 H new ATOM 566 N GLN A 38 -1.838 12.262 4.949 1.00 0.00 N ATOM 567 CA GLN A 38 -1.970 12.497 6.384 1.00 0.00 C ATOM 568 C GLN A 38 -2.900 11.475 7.033 1.00 0.00 C ATOM 569 O GLN A 38 -2.546 10.845 8.025 1.00 0.00 O ATOM 570 CB GLN A 38 -2.525 13.900 6.623 1.00 0.00 C ATOM 571 CG GLN A 38 -1.787 14.990 5.865 1.00 0.00 C ATOM 572 CD GLN A 38 -0.409 15.274 6.431 1.00 0.00 C ATOM 573 OE1 GLN A 38 -0.251 16.102 7.328 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.600 14.609 5.896 1.00 0.00 N ATOM 0 H GLN A 38 -2.065 13.076 4.378 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.982 12.398 6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.576 13.918 6.335 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.483 14.120 7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.691 14.697 4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.379 15.905 5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.427 13.931 5.154 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.551 14.774 6.225 1.00 0.00 H new ATOM 583 N GLU A 39 -4.078 11.301 6.437 1.00 0.00 N ATOM 584 CA GLU A 39 -5.108 10.425 6.992 1.00 0.00 C ATOM 585 C GLU A 39 -4.620 8.984 7.057 1.00 0.00 C ATOM 586 O GLU A 39 -5.045 8.205 7.911 1.00 0.00 O ATOM 587 CB GLU A 39 -6.379 10.486 6.141 1.00 0.00 C ATOM 588 CG GLU A 39 -6.910 11.891 5.917 1.00 0.00 C ATOM 589 CD GLU A 39 -8.240 11.899 5.193 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.277 11.582 3.984 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.265 12.214 5.836 1.00 0.00 O ATOM 0 H GLU A 39 -4.344 11.758 5.565 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.328 10.772 8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.177 10.027 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.154 9.889 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.020 12.392 6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.183 12.463 5.341 1.00 0.00 H new ATOM 598 N LEU A 40 -3.731 8.636 6.140 1.00 0.00 N ATOM 599 CA LEU A 40 -3.220 7.283 6.047 1.00 0.00 C ATOM 600 C LEU A 40 -2.063 7.079 7.026 1.00 0.00 C ATOM 601 O LEU A 40 -1.833 5.967 7.510 1.00 0.00 O ATOM 602 CB LEU A 40 -2.779 7.011 4.606 1.00 0.00 C ATOM 603 CG LEU A 40 -2.578 5.542 4.240 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.846 4.744 4.502 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.168 5.420 2.779 1.00 0.00 C ATOM 0 H LEU A 40 -3.348 9.279 5.447 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.005 6.576 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.523 7.436 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.845 7.542 4.425 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.784 5.134 4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.681 3.700 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.106 4.811 5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.661 5.148 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.027 4.369 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.948 5.843 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.235 5.960 2.616 1.00 0.00 H new ATOM 617 N LEU A 41 -1.341 8.160 7.318 1.00 0.00 N ATOM 618 CA LEU A 41 -0.227 8.113 8.262 1.00 0.00 C ATOM 619 C LEU A 41 -0.710 7.729 9.654 1.00 0.00 C ATOM 620 O LEU A 41 -1.341 8.527 10.351 1.00 0.00 O ATOM 621 CB LEU A 41 0.500 9.460 8.325 1.00 0.00 C ATOM 622 CG LEU A 41 1.032 9.984 6.990 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.741 11.314 7.186 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.964 8.970 6.352 1.00 0.00 C ATOM 0 H LEU A 41 -1.509 9.081 6.913 1.00 0.00 H new ATOM 0 HA LEU A 41 0.470 7.354 7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.182 10.202 8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.336 9.370 9.019 1.00 0.00 H new ATOM 0 HG LEU A 41 0.187 10.140 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.113 11.673 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.042 12.041 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.577 11.183 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.332 9.361 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.806 8.780 7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.424 8.040 6.176 1.00 0.00 H new ATOM 636 N GLY A 42 -0.412 6.502 10.055 1.00 0.00 N ATOM 637 CA GLY A 42 -0.832 6.025 11.356 1.00 0.00 C ATOM 638 C GLY A 42 -1.768 4.841 11.256 1.00 0.00 C ATOM 639 O GLY A 42 -2.044 4.172 12.252 1.00 0.00 O ATOM 0 H GLY A 42 0.115 5.827 9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.045 5.744 11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.327 6.833 11.895 1.00 0.00 H new ATOM 643 N LYS A 43 -2.275 4.588 10.058 1.00 0.00 N ATOM 644 CA LYS A 43 -3.140 3.446 9.818 1.00 0.00 C ATOM 645 C LYS A 43 -2.347 2.305 9.197 1.00 0.00 C ATOM 646 O LYS A 43 -1.329 2.528 8.538 1.00 0.00 O ATOM 647 CB LYS A 43 -4.280 3.842 8.883 1.00 0.00 C ATOM 648 CG LYS A 43 -5.181 4.952 9.411 1.00 0.00 C ATOM 649 CD LYS A 43 -6.156 4.456 10.470 1.00 0.00 C ATOM 650 CE LYS A 43 -5.508 4.325 11.839 1.00 0.00 C ATOM 651 NZ LYS A 43 -5.125 5.646 12.410 1.00 0.00 N ATOM 0 H LYS A 43 -2.100 5.163 9.234 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.552 3.116 10.772 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.856 4.159 7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.890 2.961 8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.565 5.746 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.740 5.387 8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.999 5.144 10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.556 3.489 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.197 3.824 12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.622 3.695 11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.977 5.551 13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.246 5.976 11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.884 6.334 12.232 1.00 0.00 H new ATOM 665 N ASN A 44 -2.802 1.085 9.429 1.00 0.00 N ATOM 666 CA ASN A 44 -2.220 -0.079 8.782 1.00 0.00 C ATOM 667 C ASN A 44 -2.891 -0.296 7.436 1.00 0.00 C ATOM 668 O ASN A 44 -4.102 -0.109 7.308 1.00 0.00 O ATOM 669 CB ASN A 44 -2.427 -1.329 9.637 1.00 0.00 C ATOM 670 CG ASN A 44 -1.470 -2.444 9.270 1.00 0.00 C ATOM 671 OD1 ASN A 44 -1.714 -3.196 8.328 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.389 -2.576 10.024 1.00 0.00 N ATOM 0 H ASN A 44 -3.574 0.875 10.062 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.152 0.095 8.652 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.296 -1.073 10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.452 -1.680 9.520 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.278 -3.323 9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.224 -1.930 10.796 1.00 0.00 H new ATOM 679 N ILE A 45 -2.112 -0.695 6.438 1.00 0.00 N ATOM 680 CA ILE A 45 -2.659 -1.005 5.124 1.00 0.00 C ATOM 681 C ILE A 45 -3.751 -2.070 5.234 1.00 0.00 C ATOM 682 O ILE A 45 -4.815 -1.934 4.637 1.00 0.00 O ATOM 683 CB ILE A 45 -1.553 -1.467 4.136 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.158 -1.786 2.765 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.787 -2.669 4.681 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.132 -2.150 1.713 1.00 0.00 C ATOM 0 H ILE A 45 -1.101 -0.811 6.514 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.097 -0.089 4.728 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.843 -0.648 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.863 -2.611 2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.728 -0.923 2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.021 -2.967 3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.316 -2.402 5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.476 -3.498 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.637 -2.362 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.441 -1.318 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.578 -3.032 2.035 1.00 0.00 H new ATOM 698 N VAL A 46 -3.503 -3.084 6.062 1.00 0.00 N ATOM 699 CA VAL A 46 -4.402 -4.220 6.211 1.00 0.00 C ATOM 700 C VAL A 46 -5.767 -3.794 6.764 1.00 0.00 C ATOM 701 O VAL A 46 -6.774 -4.447 6.505 1.00 0.00 O ATOM 702 CB VAL A 46 -3.764 -5.291 7.129 1.00 0.00 C ATOM 703 CG1 VAL A 46 -4.710 -6.459 7.373 1.00 0.00 C ATOM 704 CG2 VAL A 46 -2.459 -5.789 6.525 1.00 0.00 C ATOM 0 H VAL A 46 -2.670 -3.138 6.648 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.564 -4.646 5.221 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.560 -4.824 8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.226 -7.190 8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.620 -6.096 7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.961 -6.928 6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.019 -6.542 7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.655 -6.228 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.767 -4.954 6.416 1.00 0.00 H new ATOM 714 N GLU A 47 -5.809 -2.678 7.485 1.00 0.00 N ATOM 715 CA GLU A 47 -7.069 -2.187 8.039 1.00 0.00 C ATOM 716 C GLU A 47 -7.988 -1.708 6.921 1.00 0.00 C ATOM 717 O GLU A 47 -9.214 -1.770 7.025 1.00 0.00 O ATOM 718 CB GLU A 47 -6.826 -1.057 9.034 1.00 0.00 C ATOM 719 CG GLU A 47 -6.095 -1.508 10.280 1.00 0.00 C ATOM 720 CD GLU A 47 -6.835 -2.597 11.031 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.815 -2.278 11.733 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.439 -3.778 10.919 1.00 0.00 O ATOM 0 H GLU A 47 -4.995 -2.101 7.699 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.549 -3.011 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.250 -0.270 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.783 -0.621 9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.105 -1.871 10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.948 -0.653 10.940 1.00 0.00 H new ATOM 729 N PHE A 48 -7.383 -1.238 5.843 1.00 0.00 N ATOM 730 CA PHE A 48 -8.135 -0.806 4.680 1.00 0.00 C ATOM 731 C PHE A 48 -8.107 -1.882 3.613 1.00 0.00 C ATOM 732 O PHE A 48 -8.452 -1.643 2.459 1.00 0.00 O ATOM 733 CB PHE A 48 -7.587 0.508 4.141 1.00 0.00 C ATOM 734 CG PHE A 48 -7.661 1.621 5.142 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.871 1.962 5.724 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.526 2.326 5.501 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.948 2.984 6.647 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.597 3.350 6.424 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.809 3.679 6.997 1.00 0.00 C ATOM 0 H PHE A 48 -6.371 -1.146 5.750 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.171 -0.639 4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.550 0.367 3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.145 0.790 3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.765 1.421 5.452 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.576 2.073 5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.897 3.239 7.094 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.705 3.893 6.698 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.865 4.480 7.719 1.00 0.00 H new ATOM 749 N CYS A 49 -7.674 -3.064 4.013 1.00 0.00 N ATOM 750 CA CYS A 49 -7.727 -4.229 3.177 1.00 0.00 C ATOM 751 C CYS A 49 -8.839 -5.144 3.663 1.00 0.00 C ATOM 752 O CYS A 49 -8.841 -5.560 4.820 1.00 0.00 O ATOM 753 CB CYS A 49 -6.384 -4.924 3.247 1.00 0.00 C ATOM 754 SG CYS A 49 -5.030 -3.894 2.650 1.00 0.00 S ATOM 0 H CYS A 49 -7.274 -3.234 4.936 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.937 -3.957 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.185 -5.216 4.278 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.424 -5.841 2.658 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.022 -2.768 3.299 1.00 0.00 H new ATOM 760 N HIS A 50 -9.800 -5.425 2.792 1.00 0.00 N ATOM 761 CA HIS A 50 -10.987 -6.158 3.204 1.00 0.00 C ATOM 762 C HIS A 50 -10.627 -7.561 3.699 1.00 0.00 C ATOM 763 O HIS A 50 -9.641 -8.156 3.259 1.00 0.00 O ATOM 764 CB HIS A 50 -12.056 -6.178 2.097 1.00 0.00 C ATOM 765 CG HIS A 50 -11.853 -7.190 1.025 1.00 0.00 C ATOM 766 ND1 HIS A 50 -12.495 -8.399 1.021 1.00 0.00 N ATOM 767 CD2 HIS A 50 -11.110 -7.155 -0.096 1.00 0.00 C ATOM 768 CE1 HIS A 50 -12.154 -9.070 -0.052 1.00 0.00 C ATOM 769 NE2 HIS A 50 -11.313 -8.340 -0.756 1.00 0.00 N ATOM 0 H HIS A 50 -9.781 -5.160 1.807 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.430 -5.629 4.048 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.028 -6.354 2.558 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.095 -5.191 1.637 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -13.139 -8.727 1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.472 -6.344 -0.417 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.504 -10.057 -0.315 1.00 0.00 H new ATOM 778 N PRO A 51 -11.474 -8.101 4.583 1.00 0.00 N ATOM 779 CA PRO A 51 -11.139 -9.220 5.475 1.00 0.00 C ATOM 780 C PRO A 51 -10.435 -10.403 4.801 1.00 0.00 C ATOM 781 O PRO A 51 -9.354 -10.810 5.232 1.00 0.00 O ATOM 782 CB PRO A 51 -12.498 -9.671 6.013 1.00 0.00 C ATOM 783 CG PRO A 51 -13.421 -8.508 5.845 1.00 0.00 C ATOM 784 CD PRO A 51 -12.850 -7.622 4.786 1.00 0.00 C ATOM 0 HA PRO A 51 -10.426 -8.889 6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.864 -10.540 5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.425 -9.961 7.061 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.417 -8.848 5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.525 -7.964 6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.429 -7.686 3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.861 -6.578 5.098 1.00 0.00 H new ATOM 792 N GLU A 52 -11.021 -10.946 3.747 1.00 0.00 N ATOM 793 CA GLU A 52 -10.525 -12.191 3.166 1.00 0.00 C ATOM 794 C GLU A 52 -9.292 -11.995 2.280 1.00 0.00 C ATOM 795 O GLU A 52 -8.701 -12.973 1.826 1.00 0.00 O ATOM 796 CB GLU A 52 -11.625 -12.938 2.408 1.00 0.00 C ATOM 797 CG GLU A 52 -12.480 -12.050 1.538 1.00 0.00 C ATOM 798 CD GLU A 52 -13.590 -11.363 2.312 1.00 0.00 C ATOM 799 OE1 GLU A 52 -14.626 -12.005 2.574 1.00 0.00 O ATOM 800 OE2 GLU A 52 -13.424 -10.180 2.666 1.00 0.00 O ATOM 0 H GLU A 52 -11.835 -10.551 3.276 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.210 -12.805 4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.166 -13.706 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.265 -13.450 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.850 -11.295 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.917 -12.646 0.737 1.00 0.00 H new ATOM 807 N ASP A 53 -8.879 -10.749 2.056 1.00 0.00 N ATOM 808 CA ASP A 53 -7.699 -10.487 1.227 1.00 0.00 C ATOM 809 C ASP A 53 -6.505 -10.161 2.112 1.00 0.00 C ATOM 810 O ASP A 53 -5.375 -10.037 1.635 1.00 0.00 O ATOM 811 CB ASP A 53 -7.934 -9.330 0.247 1.00 0.00 C ATOM 812 CG ASP A 53 -8.723 -9.727 -0.986 1.00 0.00 C ATOM 813 OD1 ASP A 53 -9.079 -10.912 -1.130 1.00 0.00 O ATOM 814 OD2 ASP A 53 -9.018 -8.833 -1.811 1.00 0.00 O ATOM 0 H ASP A 53 -9.334 -9.916 2.429 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.501 -11.388 0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.463 -8.529 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.970 -8.927 -0.063 1.00 0.00 H new ATOM 819 N GLN A 54 -6.761 -10.045 3.412 1.00 0.00 N ATOM 820 CA GLN A 54 -5.724 -9.677 4.368 1.00 0.00 C ATOM 821 C GLN A 54 -4.664 -10.765 4.460 1.00 0.00 C ATOM 822 O GLN A 54 -3.482 -10.478 4.638 1.00 0.00 O ATOM 823 CB GLN A 54 -6.330 -9.426 5.750 1.00 0.00 C ATOM 824 CG GLN A 54 -7.361 -8.311 5.770 1.00 0.00 C ATOM 825 CD GLN A 54 -7.880 -8.014 7.164 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.942 -8.896 8.023 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.258 -6.771 7.397 1.00 0.00 N ATOM 0 H GLN A 54 -7.680 -10.201 3.827 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.254 -8.759 4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.795 -10.345 6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.530 -9.182 6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.919 -7.407 5.352 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.197 -8.584 5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.191 -6.071 6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.617 -6.511 8.315 1.00 0.00 H new ATOM 836 N GLN A 55 -5.093 -12.016 4.326 1.00 0.00 N ATOM 837 CA GLN A 55 -4.184 -13.149 4.434 1.00 0.00 C ATOM 838 C GLN A 55 -3.186 -13.154 3.278 1.00 0.00 C ATOM 839 O GLN A 55 -2.005 -13.440 3.473 1.00 0.00 O ATOM 840 CB GLN A 55 -4.966 -14.457 4.456 1.00 0.00 C ATOM 841 CG GLN A 55 -4.161 -15.634 4.980 1.00 0.00 C ATOM 842 CD GLN A 55 -3.685 -15.415 6.403 1.00 0.00 C ATOM 843 OE1 GLN A 55 -4.342 -14.734 7.197 1.00 0.00 O ATOM 844 NE2 GLN A 55 -2.538 -15.976 6.737 1.00 0.00 N ATOM 0 H GLN A 55 -6.064 -12.269 4.143 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.631 -13.053 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.854 -14.330 5.075 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.310 -14.683 3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.771 -16.537 4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.300 -15.800 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.024 -16.532 6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.166 -15.854 7.679 1.00 0.00 H new ATOM 853 N LEU A 56 -3.674 -12.824 2.083 1.00 0.00 N ATOM 854 CA LEU A 56 -2.813 -12.696 0.912 1.00 0.00 C ATOM 855 C LEU A 56 -1.722 -11.679 1.167 1.00 0.00 C ATOM 856 O LEU A 56 -0.540 -11.950 0.960 1.00 0.00 O ATOM 857 CB LEU A 56 -3.624 -12.271 -0.312 1.00 0.00 C ATOM 858 CG LEU A 56 -4.397 -13.395 -0.993 1.00 0.00 C ATOM 859 CD1 LEU A 56 -5.340 -12.833 -2.046 1.00 0.00 C ATOM 860 CD2 LEU A 56 -3.431 -14.384 -1.624 1.00 0.00 C ATOM 0 H LEU A 56 -4.661 -12.641 1.902 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.362 -13.669 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.329 -11.496 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.948 -11.822 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.992 -13.914 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.883 -13.650 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.049 -12.152 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.765 -12.293 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.993 -15.183 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.818 -13.871 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.789 -14.808 -0.852 1.00 0.00 H new ATOM 872 N LEU A 57 -2.133 -10.510 1.631 1.00 0.00 N ATOM 873 CA LEU A 57 -1.201 -9.440 1.935 1.00 0.00 C ATOM 874 C LEU A 57 -0.240 -9.832 3.047 1.00 0.00 C ATOM 875 O LEU A 57 0.940 -9.503 2.986 1.00 0.00 O ATOM 876 CB LEU A 57 -1.954 -8.166 2.288 1.00 0.00 C ATOM 877 CG LEU A 57 -2.538 -7.428 1.084 1.00 0.00 C ATOM 878 CD1 LEU A 57 -3.343 -6.239 1.545 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.428 -6.977 0.151 1.00 0.00 C ATOM 0 H LEU A 57 -3.111 -10.279 1.805 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.603 -9.253 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.763 -8.414 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.280 -7.494 2.819 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.193 -8.110 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.754 -5.720 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.157 -6.577 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.700 -5.559 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.860 -6.453 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.754 -6.307 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.873 -7.846 -0.201 1.00 0.00 H new ATOM 891 N ARG A 58 -0.735 -10.543 4.050 1.00 0.00 N ATOM 892 CA ARG A 58 0.128 -11.028 5.120 1.00 0.00 C ATOM 893 C ARG A 58 1.253 -11.889 4.559 1.00 0.00 C ATOM 894 O ARG A 58 2.429 -11.570 4.721 1.00 0.00 O ATOM 895 CB ARG A 58 -0.671 -11.830 6.147 1.00 0.00 C ATOM 896 CG ARG A 58 -1.468 -10.975 7.117 1.00 0.00 C ATOM 897 CD ARG A 58 -2.274 -11.843 8.066 1.00 0.00 C ATOM 898 NE ARG A 58 -2.877 -11.073 9.153 1.00 0.00 N ATOM 899 CZ ARG A 58 -3.833 -11.544 9.952 1.00 0.00 C ATOM 900 NH1 ARG A 58 -4.348 -12.749 9.737 1.00 0.00 N ATOM 901 NH2 ARG A 58 -4.277 -10.806 10.959 1.00 0.00 N ATOM 0 H ARG A 58 -1.719 -10.795 4.146 1.00 0.00 H new ATOM 0 HA ARG A 58 0.561 -10.158 5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.354 -12.496 5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.015 -12.460 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.792 -10.337 7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.137 -10.316 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.059 -12.354 7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.628 -12.614 8.486 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.547 -10.121 9.308 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.012 -13.316 8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.080 -13.108 10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.887 -9.878 11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.009 -11.166 11.571 1.00 0.00 H new ATOM 915 N ASP A 59 0.881 -12.960 3.871 1.00 0.00 N ATOM 916 CA ASP A 59 1.849 -13.917 3.338 1.00 0.00 C ATOM 917 C ASP A 59 2.797 -13.263 2.334 1.00 0.00 C ATOM 918 O ASP A 59 4.005 -13.482 2.379 1.00 0.00 O ATOM 919 CB ASP A 59 1.117 -15.089 2.680 1.00 0.00 C ATOM 920 CG ASP A 59 2.047 -16.065 1.984 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.365 -15.844 0.799 1.00 0.00 O ATOM 922 OD2 ASP A 59 2.441 -17.067 2.619 1.00 0.00 O ATOM 0 H ASP A 59 -0.091 -13.191 3.666 1.00 0.00 H new ATOM 0 HA ASP A 59 2.449 -14.283 4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.544 -15.622 3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.402 -14.700 1.955 1.00 0.00 H new ATOM 927 N SER A 60 2.246 -12.435 1.457 1.00 0.00 N ATOM 928 CA SER A 60 3.012 -11.836 0.366 1.00 0.00 C ATOM 929 C SER A 60 3.997 -10.799 0.884 1.00 0.00 C ATOM 930 O SER A 60 5.138 -10.716 0.425 1.00 0.00 O ATOM 931 CB SER A 60 2.060 -11.196 -0.630 1.00 0.00 C ATOM 932 OG SER A 60 1.281 -10.198 -0.013 1.00 0.00 O ATOM 0 H SER A 60 1.264 -12.160 1.478 1.00 0.00 H new ATOM 0 HA SER A 60 3.584 -12.624 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.627 -10.762 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.409 -11.958 -1.058 1.00 0.00 H new ATOM 0 HG SER A 60 0.513 -10.612 0.433 1.00 0.00 H new ATOM 938 N PHE A 61 3.542 -10.003 1.829 1.00 0.00 N ATOM 939 CA PHE A 61 4.420 -9.046 2.497 1.00 0.00 C ATOM 940 C PHE A 61 5.535 -9.784 3.224 1.00 0.00 C ATOM 941 O PHE A 61 6.674 -9.324 3.274 1.00 0.00 O ATOM 942 CB PHE A 61 3.652 -8.148 3.472 1.00 0.00 C ATOM 943 CG PHE A 61 2.922 -7.004 2.812 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.424 -6.412 1.663 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.744 -6.511 3.354 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.764 -5.354 1.066 1.00 0.00 C ATOM 947 CE2 PHE A 61 1.079 -5.454 2.759 1.00 0.00 C ATOM 948 CZ PHE A 61 1.590 -4.874 1.613 1.00 0.00 C ATOM 0 H PHE A 61 2.576 -9.994 2.155 1.00 0.00 H new ATOM 0 HA PHE A 61 4.851 -8.400 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.932 -8.757 4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.351 -7.744 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.341 -6.782 1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.341 -6.958 4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.167 -4.903 0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.161 -5.082 3.190 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.073 -4.048 1.147 1.00 0.00 H new ATOM 958 N GLN A 62 5.207 -10.950 3.761 1.00 0.00 N ATOM 959 CA GLN A 62 6.206 -11.805 4.377 1.00 0.00 C ATOM 960 C GLN A 62 7.184 -12.289 3.318 1.00 0.00 C ATOM 961 O GLN A 62 8.389 -12.376 3.556 1.00 0.00 O ATOM 962 CB GLN A 62 5.542 -13.001 5.060 1.00 0.00 C ATOM 963 CG GLN A 62 4.707 -12.637 6.279 1.00 0.00 C ATOM 964 CD GLN A 62 5.524 -11.997 7.387 1.00 0.00 C ATOM 965 OE1 GLN A 62 6.076 -12.684 8.241 1.00 0.00 O ATOM 966 NE2 GLN A 62 5.592 -10.675 7.386 1.00 0.00 N ATOM 0 H GLN A 62 4.258 -11.324 3.782 1.00 0.00 H new ATOM 0 HA GLN A 62 6.743 -11.231 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.906 -13.511 4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.315 -13.709 5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.914 -11.953 5.978 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.224 -13.535 6.663 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.119 -10.141 6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.118 -10.191 8.114 1.00 0.00 H new ATOM 975 N GLN A 63 6.646 -12.583 2.137 1.00 0.00 N ATOM 976 CA GLN A 63 7.448 -13.043 1.014 1.00 0.00 C ATOM 977 C GLN A 63 8.521 -12.029 0.648 1.00 0.00 C ATOM 978 O GLN A 63 9.686 -12.376 0.501 1.00 0.00 O ATOM 979 CB GLN A 63 6.583 -13.315 -0.212 1.00 0.00 C ATOM 980 CG GLN A 63 5.546 -14.399 -0.009 1.00 0.00 C ATOM 981 CD GLN A 63 6.121 -15.702 0.500 1.00 0.00 C ATOM 982 OE1 GLN A 63 6.579 -16.541 -0.272 1.00 0.00 O ATOM 983 NE2 GLN A 63 6.055 -15.894 1.807 1.00 0.00 N ATOM 0 H GLN A 63 5.649 -12.509 1.935 1.00 0.00 H new ATOM 0 HA GLN A 63 7.925 -13.971 1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.078 -12.393 -0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.229 -13.596 -1.044 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.795 -14.043 0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.035 -14.582 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.667 -15.169 2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.393 -16.767 2.212 1.00 0.00 H new ATOM 992 N VAL A 64 8.129 -10.768 0.511 1.00 0.00 N ATOM 993 CA VAL A 64 9.068 -9.730 0.101 1.00 0.00 C ATOM 994 C VAL A 64 10.097 -9.448 1.201 1.00 0.00 C ATOM 995 O VAL A 64 11.213 -9.001 0.917 1.00 0.00 O ATOM 996 CB VAL A 64 8.350 -8.424 -0.307 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.688 -7.758 0.883 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.318 -7.471 -0.992 1.00 0.00 C ATOM 0 H VAL A 64 7.177 -10.441 0.676 1.00 0.00 H new ATOM 0 HA VAL A 64 9.590 -10.109 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 64 7.564 -8.685 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.193 -6.843 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.952 -8.435 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.443 -7.517 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.793 -6.558 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.132 -7.227 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.723 -7.945 -1.886 1.00 0.00 H new ATOM 1008 N VAL A 65 9.734 -9.725 2.450 1.00 0.00 N ATOM 1009 CA VAL A 65 10.656 -9.540 3.561 1.00 0.00 C ATOM 1010 C VAL A 65 11.745 -10.603 3.523 1.00 0.00 C ATOM 1011 O VAL A 65 12.917 -10.309 3.727 1.00 0.00 O ATOM 1012 CB VAL A 65 9.932 -9.578 4.924 1.00 0.00 C ATOM 1013 CG1 VAL A 65 10.926 -9.610 6.073 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.007 -8.383 5.073 1.00 0.00 C ATOM 0 H VAL A 65 8.814 -10.076 2.715 1.00 0.00 H new ATOM 0 HA VAL A 65 11.105 -8.553 3.451 1.00 0.00 H new ATOM 0 HB VAL A 65 9.338 -10.491 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.387 -9.636 7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.553 -10.498 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.553 -8.719 6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.506 -8.429 6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.588 -7.463 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.262 -8.398 4.278 1.00 0.00 H new ATOM 1024 N LYS A 66 11.349 -11.838 3.252 1.00 0.00 N ATOM 1025 CA LYS A 66 12.299 -12.924 3.122 1.00 0.00 C ATOM 1026 C LYS A 66 13.014 -12.890 1.767 1.00 0.00 C ATOM 1027 O LYS A 66 14.073 -13.493 1.599 1.00 0.00 O ATOM 1028 CB LYS A 66 11.597 -14.244 3.357 1.00 0.00 C ATOM 1029 CG LYS A 66 10.486 -14.471 2.394 1.00 0.00 C ATOM 1030 CD LYS A 66 9.667 -15.707 2.727 1.00 0.00 C ATOM 1031 CE LYS A 66 10.437 -17.000 2.502 1.00 0.00 C ATOM 1032 NZ LYS A 66 10.755 -17.218 1.064 1.00 0.00 N ATOM 0 H LYS A 66 10.375 -12.109 3.118 1.00 0.00 H new ATOM 0 HA LYS A 66 13.073 -12.805 3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.319 -15.057 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.205 -14.269 4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.833 -13.598 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.896 -14.571 1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.347 -15.656 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.765 -15.715 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.362 -16.976 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.851 -17.840 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.078 -18.197 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.904 -17.049 0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.506 -16.561 0.771 1.00 0.00 H new ATOM 1046 N LEU A 67 12.427 -12.181 0.806 1.00 0.00 N ATOM 1047 CA LEU A 67 13.065 -11.960 -0.491 1.00 0.00 C ATOM 1048 C LEU A 67 14.203 -10.956 -0.373 1.00 0.00 C ATOM 1049 O LEU A 67 15.346 -11.260 -0.719 1.00 0.00 O ATOM 1050 CB LEU A 67 12.049 -11.467 -1.533 1.00 0.00 C ATOM 1051 CG LEU A 67 11.119 -12.545 -2.091 1.00 0.00 C ATOM 1052 CD1 LEU A 67 10.151 -11.941 -3.089 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.923 -13.663 -2.738 1.00 0.00 C ATOM 0 H LEU A 67 11.508 -11.748 0.901 1.00 0.00 H new ATOM 0 HA LEU A 67 13.469 -12.917 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.441 -10.682 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.593 -11.013 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 67 10.547 -12.968 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.496 -12.720 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.552 -11.175 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.709 -11.493 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.244 -14.420 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.521 -13.256 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.581 -14.114 -1.996 1.00 0.00 H new ATOM 1065 N LYS A 68 13.873 -9.770 0.124 1.00 0.00 N ATOM 1066 CA LYS A 68 14.843 -8.687 0.297 1.00 0.00 C ATOM 1067 C LYS A 68 15.447 -8.236 -1.027 1.00 0.00 C ATOM 1068 O LYS A 68 16.404 -8.827 -1.533 1.00 0.00 O ATOM 1069 CB LYS A 68 15.947 -9.088 1.270 1.00 0.00 C ATOM 1070 CG LYS A 68 15.449 -9.220 2.689 1.00 0.00 C ATOM 1071 CD LYS A 68 16.536 -9.678 3.633 1.00 0.00 C ATOM 1072 CE LYS A 68 16.024 -9.686 5.058 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.064 -10.116 6.031 1.00 0.00 N ATOM 0 H LYS A 68 12.927 -9.529 0.419 1.00 0.00 H new ATOM 0 HA LYS A 68 14.296 -7.842 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.381 -10.036 0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.744 -8.345 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.058 -8.260 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.622 -9.929 2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.872 -10.677 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.399 -9.017 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.674 -8.688 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.165 -10.354 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.666 -10.105 6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.380 -11.079 5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.874 -9.465 5.984 1.00 0.00 H new ATOM 1087 N GLY A 69 14.875 -7.180 -1.579 1.00 0.00 N ATOM 1088 CA GLY A 69 15.400 -6.600 -2.800 1.00 0.00 C ATOM 1089 C GLY A 69 14.622 -7.014 -4.032 1.00 0.00 C ATOM 1090 O GLY A 69 14.879 -6.521 -5.127 1.00 0.00 O ATOM 0 H GLY A 69 14.052 -6.710 -1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.385 -5.513 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.442 -6.897 -2.918 1.00 0.00 H new ATOM 1094 N GLN A 70 13.676 -7.928 -3.859 1.00 0.00 N ATOM 1095 CA GLN A 70 12.874 -8.406 -4.972 1.00 0.00 C ATOM 1096 C GLN A 70 11.492 -7.775 -4.947 1.00 0.00 C ATOM 1097 O GLN A 70 10.883 -7.643 -3.886 1.00 0.00 O ATOM 1098 CB GLN A 70 12.753 -9.927 -4.911 1.00 0.00 C ATOM 1099 CG GLN A 70 14.083 -10.647 -5.044 1.00 0.00 C ATOM 1100 CD GLN A 70 14.701 -10.467 -6.418 1.00 0.00 C ATOM 1101 OE1 GLN A 70 14.465 -11.266 -7.323 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.494 -9.418 -6.588 1.00 0.00 N ATOM 0 H GLN A 70 13.447 -8.351 -2.959 1.00 0.00 H new ATOM 0 HA GLN A 70 13.367 -8.122 -5.901 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.289 -10.209 -3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.086 -10.263 -5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.773 -10.274 -4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.939 -11.710 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.666 -8.777 -5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.932 -9.252 -7.494 1.00 0.00 H new ATOM 1111 N VAL A 71 11.011 -7.382 -6.117 1.00 0.00 N ATOM 1112 CA VAL A 71 9.686 -6.795 -6.244 1.00 0.00 C ATOM 1113 C VAL A 71 8.620 -7.884 -6.184 1.00 0.00 C ATOM 1114 O VAL A 71 8.645 -8.834 -6.967 1.00 0.00 O ATOM 1115 CB VAL A 71 9.540 -6.009 -7.565 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.165 -5.367 -7.668 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.633 -4.959 -7.686 1.00 0.00 C ATOM 0 H VAL A 71 11.522 -7.460 -6.996 1.00 0.00 H new ATOM 0 HA VAL A 71 9.552 -6.102 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 71 9.646 -6.713 -8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.088 -4.820 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.399 -6.141 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.021 -4.679 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.513 -4.416 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.562 -4.262 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.608 -5.446 -7.671 1.00 0.00 H new ATOM 1127 N LEU A 72 7.691 -7.742 -5.252 1.00 0.00 N ATOM 1128 CA LEU A 72 6.640 -8.732 -5.058 1.00 0.00 C ATOM 1129 C LEU A 72 5.290 -8.116 -5.417 1.00 0.00 C ATOM 1130 O LEU A 72 4.894 -7.113 -4.834 1.00 0.00 O ATOM 1131 CB LEU A 72 6.643 -9.213 -3.597 1.00 0.00 C ATOM 1132 CG LEU A 72 6.111 -10.633 -3.345 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.612 -10.726 -3.603 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.858 -11.638 -4.210 1.00 0.00 C ATOM 0 H LEU A 72 7.642 -6.947 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 72 6.819 -9.590 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.665 -9.159 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.049 -8.516 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 72 6.282 -10.869 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.273 -11.745 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.085 -10.040 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.404 -10.461 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.471 -12.639 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.719 -11.387 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.920 -11.608 -3.968 1.00 0.00 H new ATOM 1146 N SER A 73 4.593 -8.707 -6.376 1.00 0.00 N ATOM 1147 CA SER A 73 3.300 -8.188 -6.797 1.00 0.00 C ATOM 1148 C SER A 73 2.163 -8.981 -6.163 1.00 0.00 C ATOM 1149 O SER A 73 2.064 -10.196 -6.336 1.00 0.00 O ATOM 1150 CB SER A 73 3.184 -8.236 -8.322 1.00 0.00 C ATOM 1151 OG SER A 73 4.230 -7.502 -8.938 1.00 0.00 O ATOM 0 H SER A 73 4.899 -9.542 -6.875 1.00 0.00 H new ATOM 0 HA SER A 73 3.224 -7.153 -6.465 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.215 -9.272 -8.660 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.221 -7.829 -8.629 1.00 0.00 H new ATOM 0 HG SER A 73 4.134 -7.550 -9.912 1.00 0.00 H new ATOM 1157 N VAL A 74 1.315 -8.284 -5.427 1.00 0.00 N ATOM 1158 CA VAL A 74 0.156 -8.896 -4.800 1.00 0.00 C ATOM 1159 C VAL A 74 -1.065 -8.043 -5.019 1.00 0.00 C ATOM 1160 O VAL A 74 -1.020 -6.819 -4.918 1.00 0.00 O ATOM 1161 CB VAL A 74 0.389 -9.145 -3.289 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.763 -7.852 -2.575 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.834 -9.786 -2.641 1.00 0.00 C ATOM 0 H VAL A 74 1.409 -7.284 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.005 -9.867 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 74 1.223 -9.840 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.921 -8.054 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.678 -7.449 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.043 -7.127 -2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.641 -9.949 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.694 -9.127 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.042 -10.741 -3.123 1.00 0.00 H new ATOM 1173 N MET A 75 -2.149 -8.702 -5.345 1.00 0.00 N ATOM 1174 CA MET A 75 -3.346 -8.015 -5.741 1.00 0.00 C ATOM 1175 C MET A 75 -4.451 -8.215 -4.708 1.00 0.00 C ATOM 1176 O MET A 75 -4.696 -9.330 -4.253 1.00 0.00 O ATOM 1177 CB MET A 75 -3.782 -8.509 -7.112 1.00 0.00 C ATOM 1178 CG MET A 75 -4.675 -7.524 -7.821 1.00 0.00 C ATOM 1179 SD MET A 75 -5.346 -8.164 -9.367 1.00 0.00 S ATOM 1180 CE MET A 75 -6.347 -6.777 -9.899 1.00 0.00 C ATOM 0 H MET A 75 -2.224 -9.719 -5.343 1.00 0.00 H new ATOM 0 HA MET A 75 -3.143 -6.946 -5.800 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.900 -8.701 -7.723 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.307 -9.458 -7.003 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.498 -7.248 -7.161 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.112 -6.614 -8.026 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.346 -6.724 -10.988 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.369 -6.908 -9.543 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.936 -5.854 -9.491 1.00 0.00 H new ATOM 1190 N PHE A 76 -5.115 -7.126 -4.359 1.00 0.00 N ATOM 1191 CA PHE A 76 -6.123 -7.127 -3.303 1.00 0.00 C ATOM 1192 C PHE A 76 -7.098 -5.975 -3.529 1.00 0.00 C ATOM 1193 O PHE A 76 -6.955 -5.219 -4.496 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.458 -6.987 -1.932 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.781 -5.662 -1.721 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.546 -5.400 -2.288 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.384 -4.678 -0.956 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.928 -4.184 -2.096 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.767 -3.460 -0.760 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.539 -3.211 -1.330 1.00 0.00 C ATOM 0 H PHE A 76 -4.974 -6.216 -4.797 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.665 -8.072 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.211 -7.128 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.724 -7.783 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.062 -6.157 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.348 -4.866 -0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.965 -3.991 -2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.247 -2.702 -0.159 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.055 -2.258 -1.179 1.00 0.00 H new ATOM 1210 N ARG A 77 -8.086 -5.836 -2.654 1.00 0.00 N ATOM 1211 CA ARG A 77 -9.038 -4.739 -2.759 1.00 0.00 C ATOM 1212 C ARG A 77 -8.868 -3.774 -1.583 1.00 0.00 C ATOM 1213 O ARG A 77 -8.977 -4.174 -0.420 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.470 -5.269 -2.804 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.670 -6.397 -3.801 1.00 0.00 C ATOM 1216 CD ARG A 77 -12.089 -6.933 -3.757 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.115 -8.392 -3.845 1.00 0.00 N ATOM 1218 CZ ARG A 77 -13.194 -9.113 -4.146 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.335 -8.522 -4.481 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -13.116 -10.436 -4.127 1.00 0.00 N ATOM 0 H ARG A 77 -8.248 -6.466 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.841 -4.202 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.750 -5.619 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.144 -4.450 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.446 -6.040 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.969 -7.203 -3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.570 -6.615 -2.832 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.665 -6.508 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.246 -8.893 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.393 -7.504 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.154 -9.086 -4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.236 -10.892 -3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.936 -10.999 -4.356 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.615 -2.515 -1.905 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.332 -1.479 -0.913 1.00 0.00 C ATOM 1236 C PHE A 78 -9.583 -0.639 -0.670 1.00 0.00 C ATOM 1237 O PHE A 78 -10.425 -0.507 -1.558 1.00 0.00 O ATOM 1238 CB PHE A 78 -7.205 -0.585 -1.442 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.409 0.159 -0.401 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.903 1.303 0.205 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -5.138 -0.275 -0.060 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -6.145 1.993 1.136 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.375 0.414 0.860 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.877 1.547 1.460 1.00 0.00 C ATOM 0 H PHE A 78 -8.599 -2.177 -2.867 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.030 -1.941 0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.520 -1.203 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.637 0.143 -2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.889 1.660 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.739 -1.166 -0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.544 2.879 1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.384 0.065 1.110 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.282 2.086 2.182 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.707 -0.087 0.528 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.843 0.760 0.863 1.00 0.00 C ATOM 1256 C ARG A 79 -10.540 2.221 0.540 1.00 0.00 C ATOM 1257 O ARG A 79 -9.641 2.816 1.123 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.181 0.634 2.348 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.644 0.904 2.660 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.871 1.138 4.143 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.170 0.164 4.984 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.655 -0.323 6.130 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.867 0.022 6.548 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.931 -1.161 6.861 1.00 0.00 N ATOM 0 H ARG A 79 -9.035 -0.210 1.285 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.694 0.431 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.924 -0.369 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.562 1.330 2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.980 1.776 2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.248 0.059 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.538 2.143 4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.939 1.092 4.354 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.254 -0.163 4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.435 0.663 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.231 -0.354 7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.000 -1.436 6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.306 -1.530 7.735 1.00 0.00 H new ATOM 1278 N SER A 80 -11.280 2.782 -0.403 1.00 0.00 N ATOM 1279 CA SER A 80 -11.133 4.183 -0.760 1.00 0.00 C ATOM 1280 C SER A 80 -11.741 5.093 0.317 1.00 0.00 C ATOM 1281 O SER A 80 -12.298 4.616 1.312 1.00 0.00 O ATOM 1282 CB SER A 80 -11.794 4.435 -2.115 1.00 0.00 C ATOM 1283 OG SER A 80 -11.598 5.767 -2.560 1.00 0.00 O ATOM 0 H SER A 80 -11.992 2.285 -0.937 1.00 0.00 H new ATOM 0 HA SER A 80 -10.071 4.419 -0.829 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.387 3.743 -2.852 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.862 4.230 -2.041 1.00 0.00 H new ATOM 0 HG SER A 80 -12.033 5.889 -3.430 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.652 6.404 0.099 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.189 7.396 1.030 1.00 0.00 C ATOM 1291 C LYS A 81 -13.713 7.340 1.042 1.00 0.00 C ATOM 1292 O LYS A 81 -14.369 7.929 1.902 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.724 8.802 0.623 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.029 9.887 1.648 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.306 9.628 2.960 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.604 10.694 4.000 1.00 0.00 C ATOM 1297 NZ LYS A 81 -10.991 12.004 3.652 1.00 0.00 N ATOM 0 H LYS A 81 -11.207 6.808 -0.725 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.820 7.171 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.649 8.779 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.197 9.069 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.731 10.858 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.104 9.931 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.599 8.652 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.232 9.589 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.683 10.814 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.232 10.367 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.028 12.635 4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.000 11.860 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.516 12.434 2.864 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.265 6.607 0.091 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.707 6.496 -0.062 1.00 0.00 C ATOM 1313 C ASN A 82 -16.190 5.204 0.571 1.00 0.00 C ATOM 1314 O ASN A 82 -17.353 4.830 0.434 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.077 6.502 -1.542 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.411 7.627 -2.303 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.234 8.729 -1.787 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -15.003 7.339 -3.525 1.00 0.00 N ATOM 0 H ASN A 82 -13.730 6.074 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.181 7.345 0.431 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.793 5.549 -1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.159 6.591 -1.642 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.519 8.044 -4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.171 6.411 -3.913 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.265 4.519 1.244 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.537 3.233 1.883 1.00 0.00 C ATOM 1327 C GLN A 83 -15.881 2.171 0.839 1.00 0.00 C ATOM 1328 O GLN A 83 -16.512 1.159 1.141 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.650 3.347 2.932 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.225 4.059 4.214 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.815 5.507 3.997 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.651 6.409 4.005 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.519 5.744 3.847 1.00 0.00 N ATOM 0 H GLN A 83 -14.304 4.842 1.361 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.629 2.925 2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.494 3.881 2.495 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -17.002 2.346 3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.048 4.026 4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.392 3.517 4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.856 4.969 3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.185 6.701 3.733 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.457 2.419 -0.393 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.609 1.464 -1.473 1.00 0.00 C ATOM 1344 C GLU A 84 -14.360 0.597 -1.561 1.00 0.00 C ATOM 1345 O GLU A 84 -13.295 0.996 -1.090 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.837 2.204 -2.788 1.00 0.00 C ATOM 1347 CG GLU A 84 -14.763 3.234 -3.091 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.999 3.978 -4.386 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.827 4.914 -4.395 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -14.344 3.646 -5.392 1.00 0.00 O ATOM 0 H GLU A 84 -14.999 3.288 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.471 0.826 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.877 1.480 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.807 2.700 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.715 3.951 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.794 2.736 -3.137 1.00 0.00 H new ATOM 1357 N TRP A 85 -14.483 -0.577 -2.157 1.00 0.00 N ATOM 1358 CA TRP A 85 -13.372 -1.503 -2.236 1.00 0.00 C ATOM 1359 C TRP A 85 -12.948 -1.702 -3.687 1.00 0.00 C ATOM 1360 O TRP A 85 -13.647 -2.350 -4.465 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.769 -2.839 -1.615 1.00 0.00 C ATOM 1362 CG TRP A 85 -14.108 -2.758 -0.153 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.352 -2.646 0.400 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -13.187 -2.785 0.940 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.257 -2.615 1.772 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.941 -2.705 2.130 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.801 -2.876 1.031 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.347 -2.718 3.391 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.216 -2.882 2.279 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -11.986 -2.809 3.445 1.00 0.00 C ATOM 0 H TRP A 85 -15.343 -0.909 -2.593 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.528 -1.090 -1.684 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.628 -3.238 -2.155 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.951 -3.547 -1.749 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -16.275 -2.590 -0.158 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -16.042 -2.537 2.418 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.195 -2.941 0.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -13.941 -2.658 4.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.141 -2.944 2.359 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.494 -2.825 4.406 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.807 -1.139 -4.048 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.315 -1.222 -5.418 1.00 0.00 C ATOM 1383 C LEU A 86 -10.094 -2.134 -5.530 1.00 0.00 C ATOM 1384 O LEU A 86 -9.359 -2.329 -4.565 1.00 0.00 O ATOM 1385 CB LEU A 86 -10.999 0.183 -5.951 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.712 1.250 -4.887 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.331 1.063 -4.282 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.857 2.642 -5.479 1.00 0.00 C ATOM 0 H LEU A 86 -11.202 -0.619 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.101 -1.664 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.135 0.115 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.840 0.519 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.444 1.136 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.155 1.833 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.268 0.080 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.577 1.141 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.650 3.387 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.152 2.763 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.873 2.776 -5.850 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.884 -2.674 -6.726 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.807 -3.629 -6.973 1.00 0.00 C ATOM 1402 C TRP A 87 -7.500 -2.911 -7.259 1.00 0.00 C ATOM 1403 O TRP A 87 -7.434 -2.047 -8.134 1.00 0.00 O ATOM 1404 CB TRP A 87 -9.131 -4.526 -8.172 1.00 0.00 C ATOM 1405 CG TRP A 87 -10.091 -5.641 -7.892 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.436 -5.650 -8.118 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.761 -6.925 -7.359 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.965 -6.867 -7.757 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.954 -7.667 -7.286 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.568 -7.520 -6.937 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -10.988 -8.975 -6.806 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.603 -8.815 -6.459 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -9.805 -9.532 -6.398 1.00 0.00 C ATOM 0 H TRP A 87 -10.451 -2.464 -7.547 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.708 -4.236 -6.073 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.541 -3.906 -8.969 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.201 -4.954 -8.547 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -12.002 -4.823 -8.521 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.948 -7.132 -7.828 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.636 -6.976 -6.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -11.914 -9.529 -6.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -7.688 -9.283 -6.127 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -9.799 -10.544 -6.022 1.00 0.00 H new ATOM 1424 N MET A 88 -6.460 -3.262 -6.530 1.00 0.00 N ATOM 1425 CA MET A 88 -5.147 -2.719 -6.808 1.00 0.00 C ATOM 1426 C MET A 88 -4.064 -3.743 -6.534 1.00 0.00 C ATOM 1427 O MET A 88 -4.224 -4.634 -5.698 1.00 0.00 O ATOM 1428 CB MET A 88 -4.896 -1.451 -5.993 1.00 0.00 C ATOM 1429 CG MET A 88 -4.812 -1.669 -4.495 1.00 0.00 C ATOM 1430 SD MET A 88 -4.531 -0.125 -3.613 1.00 0.00 S ATOM 1431 CE MET A 88 -5.891 0.852 -4.242 1.00 0.00 C ATOM 0 H MET A 88 -6.498 -3.915 -5.747 1.00 0.00 H new ATOM 0 HA MET A 88 -5.114 -2.461 -7.866 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.966 -0.995 -6.333 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.695 -0.739 -6.199 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.736 -2.127 -4.141 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.005 -2.367 -4.273 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.028 1.732 -3.614 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.672 1.165 -5.263 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.803 0.255 -4.233 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.981 -3.625 -7.272 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.826 -4.477 -7.080 1.00 0.00 C ATOM 1443 C ARG A 89 -0.711 -3.698 -6.404 1.00 0.00 C ATOM 1444 O ARG A 89 -0.288 -2.652 -6.899 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.332 -5.020 -8.419 1.00 0.00 C ATOM 1446 CG ARG A 89 0.009 -5.738 -8.326 1.00 0.00 C ATOM 1447 CD ARG A 89 0.735 -5.724 -9.661 1.00 0.00 C ATOM 1448 NE ARG A 89 0.920 -4.359 -10.160 1.00 0.00 N ATOM 1449 CZ ARG A 89 1.000 -4.046 -11.451 1.00 0.00 C ATOM 1450 NH1 ARG A 89 1.012 -5.005 -12.368 1.00 0.00 N ATOM 1451 NH2 ARG A 89 1.091 -2.774 -11.825 1.00 0.00 N ATOM 0 H ARG A 89 -2.876 -2.939 -8.019 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.118 -5.314 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.076 -5.708 -8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.246 -4.196 -9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.629 -5.260 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.149 -6.768 -8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.706 -6.207 -9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.169 -6.305 -10.390 1.00 0.00 H new ATOM 0 HE ARG A 89 0.992 -3.604 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.960 -5.983 -12.084 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.073 -4.764 -13.357 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.100 -2.035 -11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.152 -2.537 -12.815 1.00 0.00 H new ATOM 1465 N THR A 90 -0.251 -4.202 -5.279 1.00 0.00 N ATOM 1466 CA THR A 90 0.874 -3.610 -4.591 1.00 0.00 C ATOM 1467 C THR A 90 2.170 -4.293 -4.994 1.00 0.00 C ATOM 1468 O THR A 90 2.297 -5.518 -4.924 1.00 0.00 O ATOM 1469 CB THR A 90 0.703 -3.681 -3.059 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.397 -2.862 -2.664 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.961 -3.224 -2.334 1.00 0.00 C ATOM 0 H THR A 90 -0.642 -5.025 -4.820 1.00 0.00 H new ATOM 0 HA THR A 90 0.916 -2.561 -4.883 1.00 0.00 H new ATOM 0 HB THR A 90 0.515 -4.720 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.598 -3.018 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.804 -3.287 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.797 -3.864 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.185 -2.193 -2.608 1.00 0.00 H new ATOM 1479 N SER A 91 3.108 -3.489 -5.447 1.00 0.00 N ATOM 1480 CA SER A 91 4.446 -3.948 -5.729 1.00 0.00 C ATOM 1481 C SER A 91 5.315 -3.652 -4.515 1.00 0.00 C ATOM 1482 O SER A 91 5.551 -2.484 -4.183 1.00 0.00 O ATOM 1483 CB SER A 91 4.991 -3.237 -6.969 1.00 0.00 C ATOM 1484 OG SER A 91 4.068 -3.314 -8.043 1.00 0.00 O ATOM 0 H SER A 91 2.961 -2.496 -5.630 1.00 0.00 H new ATOM 0 HA SER A 91 4.446 -5.019 -5.929 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.195 -2.192 -6.734 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.938 -3.688 -7.265 1.00 0.00 H new ATOM 0 HG SER A 91 4.436 -2.852 -8.825 1.00 0.00 H new ATOM 1490 N SER A 92 5.757 -4.698 -3.837 1.00 0.00 N ATOM 1491 CA SER A 92 6.503 -4.527 -2.611 1.00 0.00 C ATOM 1492 C SER A 92 7.989 -4.548 -2.885 1.00 0.00 C ATOM 1493 O SER A 92 8.455 -5.115 -3.875 1.00 0.00 O ATOM 1494 CB SER A 92 6.169 -5.612 -1.584 1.00 0.00 C ATOM 1495 OG SER A 92 6.591 -5.227 -0.291 1.00 0.00 O ATOM 0 H SER A 92 5.611 -5.668 -4.116 1.00 0.00 H new ATOM 0 HA SER A 92 6.217 -3.560 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.095 -5.797 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.653 -6.547 -1.866 1.00 0.00 H new ATOM 0 HG SER A 92 5.887 -5.435 0.358 1.00 0.00 H new ATOM 1501 N PHE A 93 8.710 -3.933 -1.982 1.00 0.00 N ATOM 1502 CA PHE A 93 10.151 -3.908 -2.007 1.00 0.00 C ATOM 1503 C PHE A 93 10.636 -3.667 -0.594 1.00 0.00 C ATOM 1504 O PHE A 93 10.111 -2.810 0.102 1.00 0.00 O ATOM 1505 CB PHE A 93 10.649 -2.804 -2.945 1.00 0.00 C ATOM 1506 CG PHE A 93 12.146 -2.632 -2.953 1.00 0.00 C ATOM 1507 CD1 PHE A 93 12.761 -1.758 -2.067 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.935 -3.338 -3.847 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.131 -1.593 -2.070 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.309 -3.176 -3.855 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.907 -2.303 -2.966 1.00 0.00 C ATOM 0 H PHE A 93 8.305 -3.427 -1.195 1.00 0.00 H new ATOM 0 HA PHE A 93 10.540 -4.856 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.314 -3.025 -3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.187 -1.860 -2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.159 -1.199 -1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.473 -4.021 -4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.596 -0.911 -1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.914 -3.732 -4.556 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.979 -2.176 -2.972 1.00 0.00 H new ATOM 1521 N THR A 94 11.611 -4.422 -0.160 1.00 0.00 N ATOM 1522 CA THR A 94 12.160 -4.227 1.159 1.00 0.00 C ATOM 1523 C THR A 94 13.505 -3.525 1.068 1.00 0.00 C ATOM 1524 O THR A 94 14.492 -4.103 0.610 1.00 0.00 O ATOM 1525 CB THR A 94 12.282 -5.563 1.898 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.707 -6.591 0.990 1.00 0.00 O ATOM 1527 CG2 THR A 94 10.952 -5.953 2.530 1.00 0.00 C ATOM 0 H THR A 94 12.041 -5.175 -0.697 1.00 0.00 H new ATOM 0 HA THR A 94 11.482 -3.593 1.731 1.00 0.00 H new ATOM 0 HB THR A 94 13.024 -5.450 2.689 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.099 -7.357 1.056 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.061 -6.905 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.648 -5.185 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.194 -6.049 1.753 1.00 0.00 H new ATOM 1535 N PHE A 95 13.524 -2.264 1.478 1.00 0.00 N ATOM 1536 CA PHE A 95 14.691 -1.419 1.292 1.00 0.00 C ATOM 1537 C PHE A 95 15.776 -1.761 2.302 1.00 0.00 C ATOM 1538 O PHE A 95 15.629 -1.524 3.503 1.00 0.00 O ATOM 1539 CB PHE A 95 14.302 0.059 1.403 1.00 0.00 C ATOM 1540 CG PHE A 95 15.262 0.990 0.711 1.00 0.00 C ATOM 1541 CD1 PHE A 95 16.476 1.321 1.291 1.00 0.00 C ATOM 1542 CD2 PHE A 95 14.946 1.534 -0.525 1.00 0.00 C ATOM 1543 CE1 PHE A 95 17.358 2.174 0.654 1.00 0.00 C ATOM 1544 CE2 PHE A 95 15.822 2.389 -1.165 1.00 0.00 C ATOM 1545 CZ PHE A 95 17.030 2.710 -0.575 1.00 0.00 C ATOM 0 H PHE A 95 12.741 -1.805 1.943 1.00 0.00 H new ATOM 0 HA PHE A 95 15.088 -1.602 0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.307 0.197 0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.241 0.332 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.737 0.907 2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 95 14.004 1.286 -0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.302 2.421 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 95 15.563 2.807 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.716 3.379 -1.074 1.00 0.00 H new ATOM 1555 N GLN A 96 16.854 -2.340 1.801 1.00 0.00 N ATOM 1556 CA GLN A 96 18.002 -2.657 2.622 1.00 0.00 C ATOM 1557 C GLN A 96 19.018 -1.530 2.578 1.00 0.00 C ATOM 1558 O GLN A 96 19.431 -1.097 1.500 1.00 0.00 O ATOM 1559 CB GLN A 96 18.659 -3.950 2.152 1.00 0.00 C ATOM 1560 CG GLN A 96 18.017 -5.203 2.711 1.00 0.00 C ATOM 1561 CD GLN A 96 18.676 -6.466 2.199 1.00 0.00 C ATOM 1562 OE1 GLN A 96 19.119 -6.534 1.051 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.782 -7.462 3.059 1.00 0.00 N ATOM 0 H GLN A 96 16.955 -2.601 0.820 1.00 0.00 H new ATOM 0 HA GLN A 96 17.655 -2.786 3.647 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.623 -3.990 1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.711 -3.935 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.073 -5.182 3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.960 -5.215 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.402 -7.366 4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.244 -8.328 2.782 1.00 0.00 H new ATOM 1572 N ASN A 97 19.401 -1.053 3.751 1.00 0.00 N ATOM 1573 CA ASN A 97 20.469 -0.072 3.866 1.00 0.00 C ATOM 1574 C ASN A 97 21.759 -0.700 3.356 1.00 0.00 C ATOM 1575 O ASN A 97 22.228 -1.688 3.915 1.00 0.00 O ATOM 1576 CB ASN A 97 20.639 0.362 5.329 1.00 0.00 C ATOM 1577 CG ASN A 97 21.607 1.525 5.501 1.00 0.00 C ATOM 1578 OD1 ASN A 97 22.553 1.693 4.732 1.00 0.00 O ATOM 1579 ND2 ASN A 97 21.378 2.339 6.518 1.00 0.00 N ATOM 0 H ASN A 97 18.987 -1.330 4.641 1.00 0.00 H new ATOM 0 HA ASN A 97 20.224 0.810 3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.667 0.644 5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.993 -0.487 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 97 21.995 3.134 6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.585 2.171 7.137 1.00 0.00 H new ATOM 1586 N PRO A 98 22.347 -0.143 2.288 1.00 0.00 N ATOM 1587 CA PRO A 98 23.536 -0.716 1.643 1.00 0.00 C ATOM 1588 C PRO A 98 24.740 -0.827 2.581 1.00 0.00 C ATOM 1589 O PRO A 98 25.712 -1.512 2.274 1.00 0.00 O ATOM 1590 CB PRO A 98 23.844 0.263 0.506 1.00 0.00 C ATOM 1591 CG PRO A 98 23.108 1.514 0.845 1.00 0.00 C ATOM 1592 CD PRO A 98 21.896 1.087 1.616 1.00 0.00 C ATOM 0 HA PRO A 98 23.345 -1.737 1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 98 24.915 0.448 0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 98 23.518 -0.136 -0.454 1.00 0.00 H new ATOM 0 HG2 PRO A 98 23.731 2.184 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 98 22.825 2.056 -0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 98 21.585 1.847 2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.046 0.900 0.960 1.00 0.00 H new ATOM 1600 N TYR A 99 24.665 -0.158 3.724 1.00 0.00 N ATOM 1601 CA TYR A 99 25.765 -0.151 4.677 1.00 0.00 C ATOM 1602 C TYR A 99 25.431 -0.967 5.925 1.00 0.00 C ATOM 1603 O TYR A 99 26.173 -0.942 6.908 1.00 0.00 O ATOM 1604 CB TYR A 99 26.098 1.286 5.085 1.00 0.00 C ATOM 1605 CG TYR A 99 26.453 2.190 3.926 1.00 0.00 C ATOM 1606 CD1 TYR A 99 25.464 2.833 3.196 1.00 0.00 C ATOM 1607 CD2 TYR A 99 27.777 2.407 3.569 1.00 0.00 C ATOM 1608 CE1 TYR A 99 25.783 3.661 2.140 1.00 0.00 C ATOM 1609 CE2 TYR A 99 28.103 3.235 2.513 1.00 0.00 C ATOM 1610 CZ TYR A 99 27.101 3.859 1.803 1.00 0.00 C ATOM 1611 OH TYR A 99 27.416 4.690 0.754 1.00 0.00 O ATOM 0 H TYR A 99 23.853 0.387 4.013 1.00 0.00 H new ATOM 0 HA TYR A 99 26.627 -0.607 4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 99 25.244 1.709 5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 99 26.931 1.269 5.787 1.00 0.00 H new ATOM 0 HD1 TYR A 99 24.427 2.683 3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 99 28.564 1.921 4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 99 25.001 4.152 1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 99 29.137 3.392 2.245 1.00 0.00 H new ATOM 0 HH TYR A 99 28.389 4.725 0.645 1.00 0.00 H new ATOM 1621 N SER A 100 24.313 -1.685 5.899 1.00 0.00 N ATOM 1622 CA SER A 100 23.886 -2.453 7.068 1.00 0.00 C ATOM 1623 C SER A 100 23.171 -3.750 6.678 1.00 0.00 C ATOM 1624 O SER A 100 23.081 -4.684 7.476 1.00 0.00 O ATOM 1625 CB SER A 100 22.969 -1.598 7.935 1.00 0.00 C ATOM 1626 OG SER A 100 23.581 -0.359 8.257 1.00 0.00 O ATOM 0 H SER A 100 23.691 -1.753 5.093 1.00 0.00 H new ATOM 0 HA SER A 100 24.780 -2.728 7.627 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.031 -1.418 7.410 1.00 0.00 H new ATOM 0 HB3 SER A 100 22.724 -2.135 8.851 1.00 0.00 H new ATOM 0 HG SER A 100 22.973 0.172 8.812 1.00 0.00 H new ATOM 1632 N ASP A 101 22.657 -3.783 5.448 1.00 0.00 N ATOM 1633 CA ASP A 101 21.931 -4.937 4.903 1.00 0.00 C ATOM 1634 C ASP A 101 20.632 -5.194 5.665 1.00 0.00 C ATOM 1635 O ASP A 101 20.015 -6.252 5.532 1.00 0.00 O ATOM 1636 CB ASP A 101 22.809 -6.192 4.906 1.00 0.00 C ATOM 1637 CG ASP A 101 22.520 -7.093 3.724 1.00 0.00 C ATOM 1638 OD1 ASP A 101 22.954 -6.752 2.603 1.00 0.00 O ATOM 1639 OD2 ASP A 101 21.874 -8.146 3.903 1.00 0.00 O ATOM 0 H ASP A 101 22.732 -3.004 4.794 1.00 0.00 H new ATOM 0 HA ASP A 101 21.674 -4.698 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 101 23.859 -5.899 4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 101 22.647 -6.745 5.831 1.00 0.00 H new ATOM 1644 N GLU A 102 20.213 -4.217 6.454 1.00 0.00 N ATOM 1645 CA GLU A 102 18.976 -4.317 7.209 1.00 0.00 C ATOM 1646 C GLU A 102 17.864 -3.576 6.478 1.00 0.00 C ATOM 1647 O GLU A 102 18.131 -2.681 5.675 1.00 0.00 O ATOM 1648 CB GLU A 102 19.173 -3.736 8.613 1.00 0.00 C ATOM 1649 CG GLU A 102 19.618 -2.284 8.606 1.00 0.00 C ATOM 1650 CD GLU A 102 19.851 -1.733 9.997 1.00 0.00 C ATOM 1651 OE1 GLU A 102 20.957 -1.922 10.537 1.00 0.00 O ATOM 1652 OE2 GLU A 102 18.936 -1.093 10.547 1.00 0.00 O ATOM 0 H GLU A 102 20.716 -3.340 6.588 1.00 0.00 H new ATOM 0 HA GLU A 102 18.695 -5.366 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.238 -3.819 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.914 -4.333 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 102 20.537 -2.193 8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 102 18.863 -1.680 8.103 1.00 0.00 H new ATOM 1659 N ILE A 103 16.625 -3.939 6.765 1.00 0.00 N ATOM 1660 CA ILE A 103 15.485 -3.338 6.097 1.00 0.00 C ATOM 1661 C ILE A 103 14.922 -2.212 6.933 1.00 0.00 C ATOM 1662 O ILE A 103 14.400 -2.424 8.029 1.00 0.00 O ATOM 1663 CB ILE A 103 14.375 -4.365 5.822 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.895 -5.445 4.887 1.00 0.00 C ATOM 1665 CG2 ILE A 103 13.148 -3.685 5.228 1.00 0.00 C ATOM 1666 CD1 ILE A 103 13.908 -6.562 4.663 1.00 0.00 C ATOM 0 H ILE A 103 16.384 -4.648 7.457 1.00 0.00 H new ATOM 0 HA ILE A 103 15.839 -2.952 5.141 1.00 0.00 H new ATOM 0 HB ILE A 103 14.080 -4.826 6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.148 -4.995 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 103 15.816 -5.859 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.374 -4.430 5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.772 -2.938 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.419 -3.200 4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.340 -7.299 3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.673 -7.037 5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.995 -6.159 4.224 1.00 0.00 H new ATOM 1678 N GLU A 104 15.036 -1.015 6.409 1.00 0.00 N ATOM 1679 CA GLU A 104 14.540 0.159 7.088 1.00 0.00 C ATOM 1680 C GLU A 104 13.027 0.259 6.973 1.00 0.00 C ATOM 1681 O GLU A 104 12.343 0.620 7.933 1.00 0.00 O ATOM 1682 CB GLU A 104 15.213 1.402 6.527 1.00 0.00 C ATOM 1683 CG GLU A 104 15.276 1.427 5.015 1.00 0.00 C ATOM 1684 CD GLU A 104 16.425 2.281 4.525 1.00 0.00 C ATOM 1685 OE1 GLU A 104 17.554 1.761 4.440 1.00 0.00 O ATOM 1686 OE2 GLU A 104 16.211 3.484 4.268 1.00 0.00 O ATOM 0 H GLU A 104 15.472 -0.827 5.506 1.00 0.00 H new ATOM 0 HA GLU A 104 14.782 0.078 8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.675 2.284 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.225 1.468 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.389 0.411 4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.338 1.813 4.616 1.00 0.00 H new ATOM 1693 N TYR A 105 12.511 -0.073 5.800 1.00 0.00 N ATOM 1694 CA TYR A 105 11.078 -0.020 5.553 1.00 0.00 C ATOM 1695 C TYR A 105 10.719 -0.759 4.279 1.00 0.00 C ATOM 1696 O TYR A 105 11.589 -1.123 3.484 1.00 0.00 O ATOM 1697 CB TYR A 105 10.593 1.437 5.463 1.00 0.00 C ATOM 1698 CG TYR A 105 11.350 2.291 4.464 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.105 2.190 3.098 1.00 0.00 C ATOM 1700 CD2 TYR A 105 12.303 3.203 4.889 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.793 2.970 2.190 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.992 3.987 3.987 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.735 3.867 2.642 1.00 0.00 C ATOM 1704 OH TYR A 105 13.424 4.650 1.745 1.00 0.00 O ATOM 0 H TYR A 105 13.065 -0.383 5.002 1.00 0.00 H new ATOM 0 HA TYR A 105 10.580 -0.507 6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.536 1.439 5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.674 1.895 6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.364 1.490 2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.510 3.302 5.944 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.594 2.877 1.133 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.731 4.693 4.336 1.00 0.00 H new ATOM 0 HH TYR A 105 14.050 5.229 2.229 1.00 0.00 H new ATOM 1714 N ILE A 106 9.430 -0.976 4.098 1.00 0.00 N ATOM 1715 CA ILE A 106 8.918 -1.583 2.886 1.00 0.00 C ATOM 1716 C ILE A 106 8.404 -0.485 1.968 1.00 0.00 C ATOM 1717 O ILE A 106 7.858 0.517 2.436 1.00 0.00 O ATOM 1718 CB ILE A 106 7.765 -2.571 3.187 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.181 -3.567 4.272 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.345 -3.316 1.922 1.00 0.00 C ATOM 1721 CD1 ILE A 106 7.057 -4.476 4.719 1.00 0.00 C ATOM 0 H ILE A 106 8.713 -0.738 4.783 1.00 0.00 H new ATOM 0 HA ILE A 106 9.726 -2.140 2.413 1.00 0.00 H new ATOM 0 HB ILE A 106 6.912 -1.996 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 106 9.004 -4.176 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.558 -3.017 5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.534 -4.005 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.007 -2.600 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.194 -3.876 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.423 -5.155 5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.242 -3.875 5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.695 -5.053 3.868 1.00 0.00 H new ATOM 1733 N ILE A 107 8.554 -0.677 0.676 1.00 0.00 N ATOM 1734 CA ILE A 107 8.063 0.282 -0.291 1.00 0.00 C ATOM 1735 C ILE A 107 6.744 -0.220 -0.848 1.00 0.00 C ATOM 1736 O ILE A 107 6.657 -1.335 -1.359 1.00 0.00 O ATOM 1737 CB ILE A 107 9.069 0.519 -1.441 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.360 1.131 -0.887 1.00 0.00 C ATOM 1739 CG2 ILE A 107 8.464 1.420 -2.513 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.386 1.460 -1.950 1.00 0.00 C ATOM 0 H ILE A 107 9.014 -1.491 0.269 1.00 0.00 H new ATOM 0 HA ILE A 107 7.926 1.239 0.213 1.00 0.00 H new ATOM 0 HB ILE A 107 9.304 -0.440 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.114 2.041 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 107 10.802 0.438 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.190 1.573 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.569 0.950 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.200 2.382 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.271 1.889 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 107 11.663 0.550 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 107 10.964 2.178 -2.653 1.00 0.00 H new ATOM 1752 N CYS A 108 5.715 0.590 -0.713 1.00 0.00 N ATOM 1753 CA CYS A 108 4.376 0.198 -1.095 1.00 0.00 C ATOM 1754 C CYS A 108 3.934 0.981 -2.320 1.00 0.00 C ATOM 1755 O CYS A 108 3.553 2.147 -2.218 1.00 0.00 O ATOM 1756 CB CYS A 108 3.419 0.442 0.077 1.00 0.00 C ATOM 1757 SG CYS A 108 1.826 -0.399 -0.059 1.00 0.00 S ATOM 0 H CYS A 108 5.783 1.536 -0.337 1.00 0.00 H new ATOM 0 HA CYS A 108 4.364 -0.863 -1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.906 0.122 0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 108 3.242 1.514 0.166 1.00 0.00 H new ATOM 0 HG CYS A 108 1.241 -0.044 -1.164 1.00 0.00 H new ATOM 1763 N THR A 109 4.039 0.359 -3.481 1.00 0.00 N ATOM 1764 CA THR A 109 3.541 0.953 -4.709 1.00 0.00 C ATOM 1765 C THR A 109 2.226 0.289 -5.090 1.00 0.00 C ATOM 1766 O THR A 109 2.177 -0.923 -5.279 1.00 0.00 O ATOM 1767 CB THR A 109 4.554 0.792 -5.856 1.00 0.00 C ATOM 1768 OG1 THR A 109 5.842 1.260 -5.425 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.119 1.568 -7.091 1.00 0.00 C ATOM 0 H THR A 109 4.466 -0.560 -3.599 1.00 0.00 H new ATOM 0 HA THR A 109 3.387 2.019 -4.541 1.00 0.00 H new ATOM 0 HB THR A 109 4.607 -0.264 -6.119 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.489 1.156 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.856 1.434 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.151 1.200 -7.430 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.039 2.627 -6.846 1.00 0.00 H new ATOM 1777 N ASN A 110 1.169 1.070 -5.222 1.00 0.00 N ATOM 1778 CA ASN A 110 -0.157 0.501 -5.417 1.00 0.00 C ATOM 1779 C ASN A 110 -0.734 0.942 -6.749 1.00 0.00 C ATOM 1780 O ASN A 110 -0.976 2.131 -6.965 1.00 0.00 O ATOM 1781 CB ASN A 110 -1.104 0.887 -4.277 1.00 0.00 C ATOM 1782 CG ASN A 110 -0.772 0.199 -2.961 1.00 0.00 C ATOM 1783 OD1 ASN A 110 0.386 -0.095 -2.664 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -1.792 -0.079 -2.165 1.00 0.00 N ATOM 0 H ASN A 110 1.199 2.089 -5.199 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.055 -0.584 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.068 1.967 -4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.126 0.637 -4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -1.631 -0.551 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.739 0.178 -2.441 1.00 0.00 H new ATOM 1791 N THR A 111 -0.948 -0.026 -7.627 1.00 0.00 N ATOM 1792 CA THR A 111 -1.461 0.225 -8.961 1.00 0.00 C ATOM 1793 C THR A 111 -2.973 0.049 -8.977 1.00 0.00 C ATOM 1794 O THR A 111 -3.475 -1.036 -8.684 1.00 0.00 O ATOM 1795 CB THR A 111 -0.846 -0.754 -9.987 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.585 -0.774 -9.869 1.00 0.00 O ATOM 1797 CG2 THR A 111 -1.235 -0.371 -11.408 1.00 0.00 C ATOM 0 H THR A 111 -0.769 -1.011 -7.431 1.00 0.00 H new ATOM 0 HA THR A 111 -1.193 1.246 -9.232 1.00 0.00 H new ATOM 0 HB THR A 111 -1.238 -1.748 -9.773 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.972 -0.101 -10.467 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.789 -1.076 -12.110 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.320 -0.397 -11.508 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.875 0.634 -11.625 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.696 1.105 -9.317 1.00 0.00 N ATOM 1806 CA ASN A 112 -5.146 1.031 -9.372 1.00 0.00 C ATOM 1807 C ASN A 112 -5.578 0.363 -10.665 1.00 0.00 C ATOM 1808 O ASN A 112 -5.416 0.925 -11.746 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.762 2.426 -9.280 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.279 2.391 -9.149 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.975 3.286 -9.625 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.808 1.362 -8.493 1.00 0.00 N ATOM 0 H ASN A 112 -3.305 2.016 -9.557 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.495 0.441 -8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.339 2.950 -8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.491 2.998 -10.168 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.819 1.299 -8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.203 0.636 -8.110 1.00 0.00 H new ATOM 1819 N VAL A 113 -6.110 -0.843 -10.554 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.528 -1.591 -11.723 1.00 0.00 C ATOM 1821 C VAL A 113 -8.033 -1.451 -11.924 1.00 0.00 C ATOM 1822 O VAL A 113 -8.506 -0.513 -12.565 1.00 0.00 O ATOM 1823 CB VAL A 113 -6.160 -3.088 -11.599 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -6.355 -3.811 -12.928 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.731 -3.259 -11.092 1.00 0.00 C ATOM 0 H VAL A 113 -6.262 -1.323 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.002 -1.180 -12.585 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.833 -3.538 -10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.089 -4.862 -12.813 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.398 -3.732 -13.236 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.718 -3.356 -13.686 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.497 -4.321 -11.014 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.039 -2.785 -11.788 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.635 -2.793 -10.111 1.00 0.00 H new ATOM 1835 N LYS A 114 -8.781 -2.388 -11.363 1.00 0.00 N ATOM 1836 CA LYS A 114 -10.233 -2.363 -11.434 1.00 0.00 C ATOM 1837 C LYS A 114 -10.832 -1.858 -10.132 1.00 0.00 C ATOM 1838 O LYS A 114 -10.118 -1.528 -9.188 1.00 0.00 O ATOM 1839 CB LYS A 114 -10.764 -3.767 -11.719 1.00 0.00 C ATOM 1840 CG LYS A 114 -10.400 -4.298 -13.092 1.00 0.00 C ATOM 1841 CD LYS A 114 -10.868 -5.734 -13.271 1.00 0.00 C ATOM 1842 CE LYS A 114 -12.372 -5.877 -13.068 1.00 0.00 C ATOM 1843 NZ LYS A 114 -13.158 -5.074 -14.042 1.00 0.00 N ATOM 0 H LYS A 114 -8.401 -3.183 -10.849 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.521 -1.687 -12.239 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.378 -4.451 -10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.849 -3.761 -11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.851 -3.668 -13.859 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.320 -4.245 -13.230 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.603 -6.079 -14.270 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.344 -6.376 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.649 -6.927 -13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -12.630 -5.567 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.171 -5.271 -13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.980 -4.062 -13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.873 -5.326 -15.010 1.00 0.00 H new ATOM 1857 N ASN A 115 -12.147 -1.797 -10.097 1.00 0.00 N ATOM 1858 CA ASN A 115 -12.876 -1.481 -8.882 1.00 0.00 C ATOM 1859 C ASN A 115 -13.922 -2.561 -8.658 1.00 0.00 C ATOM 1860 O ASN A 115 -14.615 -2.962 -9.595 1.00 0.00 O ATOM 1861 CB ASN A 115 -13.529 -0.101 -8.994 1.00 0.00 C ATOM 1862 CG ASN A 115 -14.035 0.429 -7.663 1.00 0.00 C ATOM 1863 OD1 ASN A 115 -14.456 -0.331 -6.788 1.00 0.00 O ATOM 1864 ND2 ASN A 115 -13.975 1.738 -7.493 1.00 0.00 N ATOM 0 H ASN A 115 -12.742 -1.965 -10.908 1.00 0.00 H new ATOM 0 HA ASN A 115 -12.194 -1.451 -8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -12.807 0.603 -9.408 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -14.361 -0.155 -9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -14.283 2.153 -6.614 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -13.620 2.334 -8.241 1.00 0.00 H new ATOM 1871 N SER A 116 -14.021 -3.041 -7.431 1.00 0.00 N ATOM 1872 CA SER A 116 -14.874 -4.175 -7.131 1.00 0.00 C ATOM 1873 C SER A 116 -16.327 -3.735 -6.977 1.00 0.00 C ATOM 1874 O SER A 116 -17.242 -4.516 -7.241 1.00 0.00 O ATOM 1875 CB SER A 116 -14.385 -4.878 -5.860 1.00 0.00 C ATOM 1876 OG SER A 116 -15.001 -6.143 -5.691 1.00 0.00 O ATOM 0 H SER A 116 -13.521 -2.662 -6.627 1.00 0.00 H new ATOM 0 HA SER A 116 -14.822 -4.878 -7.962 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.303 -5.003 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.596 -4.252 -4.993 1.00 0.00 H new ATOM 0 HG SER A 116 -15.619 -6.107 -4.932 1.00 0.00 H new ATOM 1882 N SER A 117 -16.534 -2.485 -6.559 1.00 0.00 N ATOM 1883 CA SER A 117 -17.879 -1.957 -6.380 1.00 0.00 C ATOM 1884 C SER A 117 -17.837 -0.495 -5.943 1.00 0.00 C ATOM 1885 O SER A 117 -17.106 -0.136 -5.018 1.00 0.00 O ATOM 1886 CB SER A 117 -18.637 -2.784 -5.334 1.00 0.00 C ATOM 1887 OG SER A 117 -20.013 -2.454 -5.312 1.00 0.00 O ATOM 0 H SER A 117 -15.788 -1.825 -6.340 1.00 0.00 H new ATOM 0 HA SER A 117 -18.397 -2.020 -7.337 1.00 0.00 H new ATOM 0 HB2 SER A 117 -18.519 -3.845 -5.552 1.00 0.00 H new ATOM 0 HB3 SER A 117 -18.204 -2.612 -4.349 1.00 0.00 H new ATOM 0 HG SER A 117 -20.242 -2.062 -4.443 1.00 0.00 H new ATOM 1893 N GLN A 118 -18.627 0.338 -6.614 1.00 0.00 N ATOM 1894 CA GLN A 118 -18.809 1.731 -6.212 1.00 0.00 C ATOM 1895 C GLN A 118 -19.710 1.805 -4.984 1.00 0.00 C ATOM 1896 O GLN A 118 -19.849 2.858 -4.360 1.00 0.00 O ATOM 1897 CB GLN A 118 -19.451 2.540 -7.344 1.00 0.00 C ATOM 1898 CG GLN A 118 -18.532 2.836 -8.521 1.00 0.00 C ATOM 1899 CD GLN A 118 -17.408 3.785 -8.155 1.00 0.00 C ATOM 1900 OE1 GLN A 118 -16.313 3.364 -7.794 1.00 0.00 O ATOM 1901 NE2 GLN A 118 -17.681 5.078 -8.229 1.00 0.00 N ATOM 0 H GLN A 118 -19.155 0.071 -7.445 1.00 0.00 H new ATOM 0 HA GLN A 118 -17.829 2.148 -5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -20.323 1.997 -7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -19.812 3.485 -6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -18.109 1.902 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -19.116 3.266 -9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -18.604 5.388 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.969 5.765 -7.981 1.00 0.00 H new ATOM 1910 N GLU A 119 -20.327 0.678 -4.656 1.00 0.00 N ATOM 1911 CA GLU A 119 -21.285 0.604 -3.564 1.00 0.00 C ATOM 1912 C GLU A 119 -20.859 -0.448 -2.542 1.00 0.00 C ATOM 1913 O GLU A 119 -20.621 -0.081 -1.373 1.00 0.00 O ATOM 1914 CB GLU A 119 -22.684 0.305 -4.125 1.00 0.00 C ATOM 1915 CG GLU A 119 -22.710 -0.838 -5.131 1.00 0.00 C ATOM 1916 CD GLU A 119 -24.018 -0.931 -5.885 1.00 0.00 C ATOM 1917 OE1 GLU A 119 -24.238 -0.108 -6.800 1.00 0.00 O ATOM 1918 OE2 GLU A 119 -24.822 -1.838 -5.589 1.00 0.00 O ATOM 1919 OXT GLU A 119 -20.733 -1.633 -2.918 1.00 0.00 O ATOM 0 H GLU A 119 -20.177 -0.208 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.316 1.564 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -23.353 0.065 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -23.075 1.205 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -21.895 -0.707 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -22.530 -1.778 -4.610 1.00 0.00 H new TER 1926 GLU A 119