USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1057 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 42 MET CE :methyl -113:sc= -0.244 (180deg=-5.29!) USER MOD Set 1.2: A 49 TYR OH : rot 150:sc= -0.163 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.17 (180deg=-0.689) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.061 (180deg=-0.145) USER MOD Single : A 2 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.34) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -7.95! C(o=-7.9!,f=-8.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.184 USER MOD Single : A 17 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.053) USER MOD Single : A 24 THR OG1 : rot 109:sc= 1.19 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -166:sc= -0.96 (180deg=-1.65!) USER MOD Single : A 32 MET CE :methyl -165:sc= -0.0825 (180deg=-0.486) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.422 USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-8.9!) USER MOD Single : A 56 TYR OH : rot -46:sc= 0.584 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -137:sc= -6.26! (180deg=-7.66!) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.25 F(o=-3.2!,f=-0.25) USER MOD Single : A 81 ASN : amide:sc= -5.38! C(o=-5.4!,f=-7.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -3.11! C(o=-5.6!,f=-3.1!) USER MOD Single : A 111 THR OG1 : rot -23:sc= 1.21 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS :FLIP no HE2:sc= 0.0969 F(o=-1.1,f=0.097) USER MOD Single : A 131 HIS : no HD1:sc= 0.407 K(o=0.41,f=-2.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.187 4.179 30.883 1.00 0.00 N ATOM 2 CA MET A 1 -7.335 4.851 29.868 1.00 0.00 C ATOM 3 C MET A 1 -6.891 3.865 28.792 1.00 0.00 C ATOM 4 O MET A 1 -7.161 2.668 28.883 1.00 0.00 O ATOM 5 CB MET A 1 -6.108 5.472 30.539 1.00 0.00 C ATOM 6 CG MET A 1 -5.192 4.452 31.198 1.00 0.00 C ATOM 7 SD MET A 1 -3.774 5.213 32.012 1.00 0.00 S ATOM 8 CE MET A 1 -4.589 6.184 33.277 1.00 0.00 C ATOM 0 H1 MET A 1 -7.854 4.429 31.836 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.173 4.489 30.769 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.131 3.148 30.756 1.00 0.00 H new ATOM 0 HA MET A 1 -7.924 5.637 29.396 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.540 6.030 29.794 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.439 6.189 31.290 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.761 3.878 31.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.839 3.747 30.445 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.882 6.408 34.076 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.953 7.115 32.843 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.429 5.621 33.683 1.00 0.00 H new ATOM 20 N ASN A 2 -6.207 4.379 27.774 1.00 0.00 N ATOM 21 CA ASN A 2 -5.720 3.548 26.678 1.00 0.00 C ATOM 22 C ASN A 2 -4.370 4.055 26.179 1.00 0.00 C ATOM 23 O ASN A 2 -4.245 5.211 25.772 1.00 0.00 O ATOM 24 CB ASN A 2 -6.730 3.533 25.530 1.00 0.00 C ATOM 25 CG ASN A 2 -8.099 3.052 25.968 1.00 0.00 C ATOM 26 OD1 ASN A 2 -8.381 1.854 25.963 1.00 0.00 O ATOM 27 ND2 ASN A 2 -8.963 3.989 26.347 1.00 0.00 N ATOM 0 H ASN A 2 -5.977 5.369 27.685 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.595 2.531 27.050 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.817 4.537 25.114 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.360 2.888 24.733 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.901 3.726 26.649 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.688 4.971 26.336 1.00 0.00 H new ATOM 34 N THR A 3 -3.364 3.186 26.209 1.00 0.00 N ATOM 35 CA THR A 3 -2.026 3.556 25.764 1.00 0.00 C ATOM 36 C THR A 3 -1.365 2.415 24.992 1.00 0.00 C ATOM 37 O THR A 3 -0.163 2.445 24.724 1.00 0.00 O ATOM 38 CB THR A 3 -1.132 3.942 26.959 1.00 0.00 C ATOM 39 OG1 THR A 3 -1.869 4.759 27.877 1.00 0.00 O ATOM 40 CG2 THR A 3 0.104 4.697 26.492 1.00 0.00 C ATOM 0 H THR A 3 -3.450 2.224 26.536 1.00 0.00 H new ATOM 0 HA THR A 3 -2.135 4.417 25.104 1.00 0.00 H new ATOM 0 HB THR A 3 -0.815 3.025 27.455 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.295 4.999 28.634 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.718 4.958 27.354 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.680 4.068 25.813 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.199 5.607 25.974 1.00 0.00 H new ATOM 48 N GLU A 4 -2.158 1.413 24.628 1.00 0.00 N ATOM 49 CA GLU A 4 -1.645 0.265 23.888 1.00 0.00 C ATOM 50 C GLU A 4 -1.630 0.534 22.385 1.00 0.00 C ATOM 51 O GLU A 4 -1.266 -0.337 21.594 1.00 0.00 O ATOM 52 CB GLU A 4 -2.483 -0.980 24.186 1.00 0.00 C ATOM 53 CG GLU A 4 -2.314 -1.501 25.605 1.00 0.00 C ATOM 54 CD GLU A 4 -3.039 -2.811 25.835 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.226 -2.774 26.222 1.00 0.00 O ATOM 56 OE2 GLU A 4 -2.419 -3.877 25.630 1.00 0.00 O ATOM 0 H GLU A 4 -3.156 1.372 24.833 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.619 0.093 24.214 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.535 -0.750 24.015 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.211 -1.768 23.484 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.253 -1.636 25.815 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.686 -0.756 26.308 1.00 0.00 H new ATOM 63 N GLU A 5 -2.025 1.743 21.996 1.00 0.00 N ATOM 64 CA GLU A 5 -2.050 2.120 20.586 1.00 0.00 C ATOM 65 C GLU A 5 -0.636 2.336 20.056 1.00 0.00 C ATOM 66 O GLU A 5 0.288 2.613 20.822 1.00 0.00 O ATOM 67 CB GLU A 5 -2.880 3.390 20.386 1.00 0.00 C ATOM 68 CG GLU A 5 -4.340 3.235 20.781 1.00 0.00 C ATOM 69 CD GLU A 5 -5.154 4.483 20.502 1.00 0.00 C ATOM 70 OE1 GLU A 5 -5.222 5.358 21.390 1.00 0.00 O ATOM 71 OE2 GLU A 5 -5.724 4.585 19.395 1.00 0.00 O ATOM 0 H GLU A 5 -2.331 2.477 22.635 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.509 1.304 20.028 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.439 4.198 20.970 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.826 3.688 19.339 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.772 2.395 20.238 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.402 2.995 21.842 1.00 0.00 H new ATOM 78 N GLN A 6 -0.473 2.208 18.742 1.00 0.00 N ATOM 79 CA GLN A 6 0.830 2.391 18.112 1.00 0.00 C ATOM 80 C GLN A 6 1.094 3.869 17.824 1.00 0.00 C ATOM 81 O GLN A 6 0.324 4.519 17.115 1.00 0.00 O ATOM 82 CB GLN A 6 0.917 1.572 16.821 1.00 0.00 C ATOM 83 CG GLN A 6 -0.236 1.817 15.861 1.00 0.00 C ATOM 84 CD GLN A 6 0.172 2.651 14.663 1.00 0.00 C ATOM 85 OE1 GLN A 6 1.321 2.606 14.222 1.00 0.00 O ATOM 86 NE2 GLN A 6 -0.769 3.417 14.126 1.00 0.00 N ATOM 0 H GLN A 6 -1.226 1.979 18.094 1.00 0.00 H new ATOM 0 HA GLN A 6 1.595 2.038 18.803 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.854 1.806 16.316 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.947 0.512 17.075 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.627 0.860 15.517 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.045 2.320 16.391 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.709 3.424 14.523 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.553 3.998 13.316 1.00 0.00 H new ATOM 95 N PRO A 7 2.190 4.421 18.378 1.00 0.00 N ATOM 96 CA PRO A 7 2.549 5.831 18.190 1.00 0.00 C ATOM 97 C PRO A 7 2.987 6.153 16.773 1.00 0.00 C ATOM 98 O PRO A 7 3.067 7.316 16.377 1.00 0.00 O ATOM 99 CB PRO A 7 3.715 6.041 19.155 1.00 0.00 C ATOM 100 CG PRO A 7 4.297 4.684 19.359 1.00 0.00 C ATOM 101 CD PRO A 7 3.159 3.712 19.234 1.00 0.00 C ATOM 0 HA PRO A 7 1.693 6.480 18.375 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.452 6.728 18.740 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.375 6.470 20.097 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.068 4.477 18.617 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.768 4.607 20.339 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.481 2.774 18.783 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.731 3.468 20.207 1.00 0.00 H new ATOM 109 N VAL A 8 3.267 5.113 16.020 1.00 0.00 N ATOM 110 CA VAL A 8 3.708 5.256 14.636 1.00 0.00 C ATOM 111 C VAL A 8 2.625 5.888 13.769 1.00 0.00 C ATOM 112 O VAL A 8 1.455 5.512 13.847 1.00 0.00 O ATOM 113 CB VAL A 8 4.106 3.895 14.033 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.627 4.068 12.614 1.00 0.00 C ATOM 115 CG2 VAL A 8 5.139 3.204 14.910 1.00 0.00 C ATOM 0 H VAL A 8 3.199 4.147 16.340 1.00 0.00 H new ATOM 0 HA VAL A 8 4.579 5.911 14.650 1.00 0.00 H new ATOM 0 HB VAL A 8 3.218 3.264 13.992 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.903 3.095 12.206 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.850 4.515 11.993 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.502 4.718 12.624 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.408 2.244 14.468 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.028 3.830 14.987 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.722 3.042 15.904 1.00 0.00 H new ATOM 125 N THR A 9 3.027 6.847 12.939 1.00 0.00 N ATOM 126 CA THR A 9 2.097 7.537 12.051 1.00 0.00 C ATOM 127 C THR A 9 2.789 7.969 10.764 1.00 0.00 C ATOM 128 O THR A 9 3.962 8.344 10.775 1.00 0.00 O ATOM 129 CB THR A 9 1.480 8.776 12.727 1.00 0.00 C ATOM 130 OG1 THR A 9 2.510 9.580 13.315 1.00 0.00 O ATOM 131 CG2 THR A 9 0.474 8.372 13.794 1.00 0.00 C ATOM 0 H THR A 9 3.993 7.164 12.863 1.00 0.00 H new ATOM 0 HA THR A 9 1.302 6.829 11.818 1.00 0.00 H new ATOM 0 HB THR A 9 0.960 9.354 11.963 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.108 10.366 13.741 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.054 9.266 14.255 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.326 7.789 13.338 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.972 7.771 14.555 1.00 0.00 H new ATOM 139 N ALA A 10 2.058 7.913 9.655 1.00 0.00 N ATOM 140 CA ALA A 10 2.605 8.299 8.360 1.00 0.00 C ATOM 141 C ALA A 10 2.473 9.801 8.129 1.00 0.00 C ATOM 142 O ALA A 10 1.932 10.523 8.966 1.00 0.00 O ATOM 143 CB ALA A 10 1.912 7.531 7.245 1.00 0.00 C ATOM 0 H ALA A 10 1.086 7.604 9.628 1.00 0.00 H new ATOM 0 HA ALA A 10 3.666 8.050 8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.330 7.829 6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.064 6.462 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.845 7.751 7.260 1.00 0.00 H new ATOM 149 N SER A 11 2.973 10.261 6.987 1.00 0.00 N ATOM 150 CA SER A 11 2.915 11.677 6.639 1.00 0.00 C ATOM 151 C SER A 11 3.020 11.869 5.129 1.00 0.00 C ATOM 152 O SER A 11 3.369 10.942 4.402 1.00 0.00 O ATOM 153 CB SER A 11 4.037 12.444 7.342 1.00 0.00 C ATOM 154 OG SER A 11 3.982 13.826 7.034 1.00 0.00 O ATOM 0 H SER A 11 3.424 9.673 6.286 1.00 0.00 H new ATOM 0 HA SER A 11 1.954 12.069 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.956 12.305 8.420 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.003 12.039 7.040 1.00 0.00 H new ATOM 0 HG SER A 11 4.708 14.293 7.497 1.00 0.00 H new ATOM 160 N LEU A 12 2.714 13.074 4.662 1.00 0.00 N ATOM 161 CA LEU A 12 2.778 13.375 3.236 1.00 0.00 C ATOM 162 C LEU A 12 4.123 13.997 2.870 1.00 0.00 C ATOM 163 O LEU A 12 4.598 14.913 3.542 1.00 0.00 O ATOM 164 CB LEU A 12 1.642 14.320 2.843 1.00 0.00 C ATOM 165 CG LEU A 12 1.316 14.352 1.350 1.00 0.00 C ATOM 166 CD1 LEU A 12 0.820 12.990 0.886 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.282 15.427 1.054 1.00 0.00 C ATOM 0 H LEU A 12 2.420 13.856 5.247 1.00 0.00 H new ATOM 0 HA LEU A 12 2.670 12.439 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.744 14.032 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.901 15.329 3.165 1.00 0.00 H new ATOM 0 HG LEU A 12 2.227 14.592 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.592 13.029 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.592 12.241 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.080 12.722 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.062 15.436 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.631 15.217 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.673 16.400 1.352 1.00 0.00 H new ATOM 179 N VAL A 13 4.730 13.494 1.799 1.00 0.00 N ATOM 180 CA VAL A 13 6.022 13.996 1.341 1.00 0.00 C ATOM 181 C VAL A 13 5.855 14.973 0.180 1.00 0.00 C ATOM 182 O VAL A 13 4.950 14.827 -0.641 1.00 0.00 O ATOM 183 CB VAL A 13 6.945 12.843 0.899 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.327 13.368 0.543 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.034 11.784 1.988 1.00 0.00 C ATOM 0 H VAL A 13 4.347 12.738 1.231 1.00 0.00 H new ATOM 0 HA VAL A 13 6.477 14.515 2.184 1.00 0.00 H new ATOM 0 HB VAL A 13 6.518 12.383 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.963 12.538 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.244 14.086 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.766 13.857 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.690 10.978 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.436 12.230 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.040 11.384 2.189 1.00 0.00 H new ATOM 195 N ALA A 14 6.733 15.972 0.122 1.00 0.00 N ATOM 196 CA ALA A 14 6.687 16.972 -0.939 1.00 0.00 C ATOM 197 C ALA A 14 6.974 16.342 -2.299 1.00 0.00 C ATOM 198 O ALA A 14 7.740 15.385 -2.400 1.00 0.00 O ATOM 199 CB ALA A 14 7.676 18.092 -0.654 1.00 0.00 C ATOM 0 H ALA A 14 7.484 16.109 0.798 1.00 0.00 H new ATOM 0 HA ALA A 14 5.681 17.391 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.630 18.830 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.424 18.568 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.684 17.681 -0.597 1.00 0.00 H new ATOM 205 N GLU A 15 6.354 16.889 -3.342 1.00 0.00 N ATOM 206 CA GLU A 15 6.537 16.379 -4.697 1.00 0.00 C ATOM 207 C GLU A 15 7.993 16.489 -5.138 1.00 0.00 C ATOM 208 O GLU A 15 8.477 15.671 -5.922 1.00 0.00 O ATOM 209 CB GLU A 15 5.637 17.138 -5.675 1.00 0.00 C ATOM 210 CG GLU A 15 5.959 18.621 -5.774 1.00 0.00 C ATOM 211 CD GLU A 15 5.069 19.346 -6.764 1.00 0.00 C ATOM 212 OE1 GLU A 15 5.411 19.365 -7.965 1.00 0.00 O ATOM 213 OE2 GLU A 15 4.031 19.895 -6.340 1.00 0.00 O ATOM 0 H GLU A 15 5.721 17.686 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 15 6.260 15.325 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.728 16.688 -6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.598 17.020 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.851 19.079 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.001 18.744 -6.070 1.00 0.00 H new ATOM 220 N ALA A 16 8.686 17.502 -4.632 1.00 0.00 N ATOM 221 CA ALA A 16 10.085 17.722 -4.981 1.00 0.00 C ATOM 222 C ALA A 16 10.978 16.612 -4.434 1.00 0.00 C ATOM 223 O ALA A 16 12.102 16.427 -4.899 1.00 0.00 O ATOM 224 CB ALA A 16 10.548 19.075 -4.465 1.00 0.00 C ATOM 0 H ALA A 16 8.302 18.185 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 16 10.166 17.708 -6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.594 19.228 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.941 19.862 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.442 19.107 -3.381 1.00 0.00 H new ATOM 230 N GLN A 17 10.474 15.876 -3.449 1.00 0.00 N ATOM 231 CA GLN A 17 11.237 14.791 -2.841 1.00 0.00 C ATOM 232 C GLN A 17 10.580 13.445 -3.113 1.00 0.00 C ATOM 233 O GLN A 17 11.164 12.393 -2.854 1.00 0.00 O ATOM 234 CB GLN A 17 11.363 15.016 -1.333 1.00 0.00 C ATOM 235 CG GLN A 17 12.108 16.288 -0.972 1.00 0.00 C ATOM 236 CD GLN A 17 13.569 16.236 -1.372 1.00 0.00 C ATOM 237 OE1 GLN A 17 14.430 15.863 -0.575 1.00 0.00 O ATOM 238 NE2 GLN A 17 13.854 16.598 -2.618 1.00 0.00 N ATOM 0 H GLN A 17 9.543 16.010 -3.055 1.00 0.00 H new ATOM 0 HA GLN A 17 12.232 14.784 -3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.366 15.051 -0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.877 14.164 -0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.630 17.137 -1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.034 16.456 0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.108 16.901 -3.244 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.819 16.573 -2.948 1.00 0.00 H new ATOM 247 N ARG A 18 9.362 13.489 -3.638 1.00 0.00 N ATOM 248 CA ARG A 18 8.618 12.277 -3.953 1.00 0.00 C ATOM 249 C ARG A 18 9.269 11.530 -5.109 1.00 0.00 C ATOM 250 O ARG A 18 9.207 10.302 -5.186 1.00 0.00 O ATOM 251 CB ARG A 18 7.175 12.628 -4.309 1.00 0.00 C ATOM 252 CG ARG A 18 6.279 12.836 -3.099 1.00 0.00 C ATOM 253 CD ARG A 18 5.038 13.627 -3.467 1.00 0.00 C ATOM 254 NE ARG A 18 3.878 13.236 -2.670 1.00 0.00 N ATOM 255 CZ ARG A 18 2.674 13.782 -2.809 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.478 14.745 -3.699 1.00 0.00 N ATOM 257 NH2 ARG A 18 1.666 13.366 -2.056 1.00 0.00 N ATOM 0 H ARG A 18 8.867 14.354 -3.855 1.00 0.00 H new ATOM 0 HA ARG A 18 8.625 11.631 -3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.170 13.535 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.758 11.831 -4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.989 11.869 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.831 13.362 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.232 14.690 -3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.816 13.481 -4.524 1.00 0.00 H new ATOM 0 HE ARG A 18 3.998 12.505 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.252 15.069 -4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.553 15.162 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.814 12.626 -1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.742 13.785 -2.163 1.00 0.00 H new ATOM 271 N LEU A 19 9.894 12.283 -6.005 1.00 0.00 N ATOM 272 CA LEU A 19 10.559 11.705 -7.165 1.00 0.00 C ATOM 273 C LEU A 19 11.733 10.823 -6.748 1.00 0.00 C ATOM 274 O LEU A 19 12.146 9.934 -7.493 1.00 0.00 O ATOM 275 CB LEU A 19 11.035 12.815 -8.106 1.00 0.00 C ATOM 276 CG LEU A 19 11.746 13.992 -7.428 1.00 0.00 C ATOM 277 CD1 LEU A 19 13.170 13.617 -7.046 1.00 0.00 C ATOM 278 CD2 LEU A 19 11.740 15.211 -8.336 1.00 0.00 C ATOM 0 H LEU A 19 9.954 13.300 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 19 9.839 11.077 -7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.711 12.379 -8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.174 13.199 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 19 11.204 14.238 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.654 14.468 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.151 12.774 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.726 13.340 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.249 16.037 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.256 14.974 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.711 15.497 -8.554 1.00 0.00 H new ATOM 290 N ASP A 20 12.268 11.072 -5.557 1.00 0.00 N ATOM 291 CA ASP A 20 13.397 10.298 -5.052 1.00 0.00 C ATOM 292 C ASP A 20 13.000 9.482 -3.828 1.00 0.00 C ATOM 293 O ASP A 20 13.715 8.567 -3.424 1.00 0.00 O ATOM 294 CB ASP A 20 14.560 11.225 -4.700 1.00 0.00 C ATOM 295 CG ASP A 20 15.831 10.464 -4.378 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.506 10.008 -5.325 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.153 10.324 -3.179 1.00 0.00 O ATOM 0 H ASP A 20 11.939 11.802 -4.925 1.00 0.00 H new ATOM 0 HA ASP A 20 13.710 9.610 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.747 11.901 -5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.283 11.842 -3.845 1.00 0.00 H new ATOM 302 N PHE A 21 11.853 9.811 -3.249 1.00 0.00 N ATOM 303 CA PHE A 21 11.366 9.111 -2.067 1.00 0.00 C ATOM 304 C PHE A 21 11.056 7.654 -2.393 1.00 0.00 C ATOM 305 O PHE A 21 11.324 6.759 -1.592 1.00 0.00 O ATOM 306 CB PHE A 21 10.117 9.794 -1.514 1.00 0.00 C ATOM 307 CG PHE A 21 9.881 9.518 -0.057 1.00 0.00 C ATOM 308 CD1 PHE A 21 9.129 8.427 0.342 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.417 10.350 0.912 1.00 0.00 C ATOM 310 CE1 PHE A 21 8.914 8.170 1.683 1.00 0.00 C ATOM 311 CE2 PHE A 21 10.205 10.099 2.253 1.00 0.00 C ATOM 312 CZ PHE A 21 9.453 9.007 2.639 1.00 0.00 C ATOM 0 H PHE A 21 11.242 10.558 -3.578 1.00 0.00 H new ATOM 0 HA PHE A 21 12.150 9.143 -1.311 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.205 10.870 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.249 9.463 -2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.705 7.769 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.007 11.204 0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.325 7.316 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.627 10.756 2.999 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.287 8.808 3.687 1.00 0.00 H new ATOM 322 N LEU A 22 10.488 7.423 -3.574 1.00 0.00 N ATOM 323 CA LEU A 22 10.146 6.073 -4.002 1.00 0.00 C ATOM 324 C LEU A 22 11.398 5.198 -4.095 1.00 0.00 C ATOM 325 O LEU A 22 11.454 4.133 -3.484 1.00 0.00 O ATOM 326 CB LEU A 22 9.416 6.099 -5.351 1.00 0.00 C ATOM 327 CG LEU A 22 8.182 5.196 -5.446 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.509 3.784 -4.984 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.040 5.774 -4.625 1.00 0.00 C ATOM 0 H LEU A 22 10.256 8.152 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 22 9.479 5.643 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.112 7.125 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.119 5.808 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 22 7.872 5.148 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.618 3.161 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.297 3.369 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.847 3.809 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.170 5.122 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.345 5.851 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.785 6.764 -5.002 1.00 0.00 H new ATOM 341 N PRO A 23 12.423 5.630 -4.861 1.00 0.00 N ATOM 342 CA PRO A 23 13.668 4.867 -5.004 1.00 0.00 C ATOM 343 C PRO A 23 14.501 4.877 -3.726 1.00 0.00 C ATOM 344 O PRO A 23 15.440 4.096 -3.579 1.00 0.00 O ATOM 345 CB PRO A 23 14.408 5.595 -6.128 1.00 0.00 C ATOM 346 CG PRO A 23 13.882 6.988 -6.090 1.00 0.00 C ATOM 347 CD PRO A 23 12.449 6.878 -5.652 1.00 0.00 C ATOM 0 HA PRO A 23 13.478 3.815 -5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.486 5.575 -5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.219 5.127 -7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.456 7.603 -5.397 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.955 7.460 -7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.145 7.738 -5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.772 6.827 -6.505 1.00 0.00 H new ATOM 355 N THR A 24 14.153 5.771 -2.806 1.00 0.00 N ATOM 356 CA THR A 24 14.869 5.886 -1.541 1.00 0.00 C ATOM 357 C THR A 24 14.409 4.833 -0.531 1.00 0.00 C ATOM 358 O THR A 24 15.224 4.279 0.207 1.00 0.00 O ATOM 359 CB THR A 24 14.691 7.293 -0.932 1.00 0.00 C ATOM 360 OG1 THR A 24 15.475 8.242 -1.665 1.00 0.00 O ATOM 361 CG2 THR A 24 15.101 7.322 0.530 1.00 0.00 C ATOM 0 H THR A 24 13.379 6.427 -2.913 1.00 0.00 H new ATOM 0 HA THR A 24 15.924 5.718 -1.759 1.00 0.00 H new ATOM 0 HB THR A 24 13.635 7.554 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.883 8.818 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.963 8.328 0.927 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.486 6.621 1.094 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.149 7.038 0.620 1.00 0.00 H new ATOM 369 N TYR A 25 13.108 4.558 -0.500 1.00 0.00 N ATOM 370 CA TYR A 25 12.559 3.579 0.437 1.00 0.00 C ATOM 371 C TYR A 25 12.285 2.233 -0.233 1.00 0.00 C ATOM 372 O TYR A 25 12.279 1.194 0.430 1.00 0.00 O ATOM 373 CB TYR A 25 11.275 4.117 1.069 1.00 0.00 C ATOM 374 CG TYR A 25 11.521 5.107 2.186 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.143 6.325 1.937 1.00 0.00 C ATOM 376 CD2 TYR A 25 11.136 4.822 3.489 1.00 0.00 C ATOM 377 CE1 TYR A 25 12.373 7.229 2.956 1.00 0.00 C ATOM 378 CE2 TYR A 25 11.361 5.722 4.513 1.00 0.00 C ATOM 379 CZ TYR A 25 11.981 6.924 4.242 1.00 0.00 C ATOM 380 OH TYR A 25 12.208 7.822 5.259 1.00 0.00 O ATOM 0 H TYR A 25 12.417 4.996 -1.109 1.00 0.00 H new ATOM 0 HA TYR A 25 13.308 3.415 1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.672 4.595 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.692 3.281 1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 25 12.451 6.568 0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.652 3.881 3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.858 8.171 2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.053 5.485 5.521 1.00 0.00 H new ATOM 0 HH TYR A 25 11.870 7.454 6.102 1.00 0.00 H new ATOM 390 N PHE A 26 12.060 2.252 -1.541 1.00 0.00 N ATOM 391 CA PHE A 26 11.783 1.028 -2.286 1.00 0.00 C ATOM 392 C PHE A 26 13.008 0.584 -3.073 1.00 0.00 C ATOM 393 O PHE A 26 13.277 -0.610 -3.206 1.00 0.00 O ATOM 394 CB PHE A 26 10.602 1.241 -3.235 1.00 0.00 C ATOM 395 CG PHE A 26 9.338 0.554 -2.799 1.00 0.00 C ATOM 396 CD1 PHE A 26 8.940 0.577 -1.470 1.00 0.00 C ATOM 397 CD2 PHE A 26 8.549 -0.115 -3.720 1.00 0.00 C ATOM 398 CE1 PHE A 26 7.779 -0.056 -1.069 1.00 0.00 C ATOM 399 CE2 PHE A 26 7.386 -0.751 -3.324 1.00 0.00 C ATOM 400 CZ PHE A 26 7.001 -0.721 -1.997 1.00 0.00 C ATOM 0 H PHE A 26 12.064 3.100 -2.108 1.00 0.00 H new ATOM 0 HA PHE A 26 11.529 0.245 -1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.410 2.310 -3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.876 0.881 -4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.545 1.096 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.845 -0.140 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.480 -0.031 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.780 -1.270 -4.051 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.093 -1.217 -1.686 1.00 0.00 H new ATOM 410 N GLY A 27 13.744 1.557 -3.595 1.00 0.00 N ATOM 411 CA GLY A 27 14.934 1.255 -4.366 1.00 0.00 C ATOM 412 C GLY A 27 14.887 1.866 -5.753 1.00 0.00 C ATOM 413 O GLY A 27 13.811 1.985 -6.339 1.00 0.00 O ATOM 0 H GLY A 27 13.538 2.551 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.812 1.626 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.046 0.174 -4.450 1.00 0.00 H new ATOM 417 N PRO A 28 16.042 2.267 -6.309 1.00 0.00 N ATOM 418 CA PRO A 28 16.105 2.868 -7.644 1.00 0.00 C ATOM 419 C PRO A 28 15.585 1.925 -8.719 1.00 0.00 C ATOM 420 O PRO A 28 15.272 2.348 -9.832 1.00 0.00 O ATOM 421 CB PRO A 28 17.598 3.151 -7.852 1.00 0.00 C ATOM 422 CG PRO A 28 18.301 2.284 -6.863 1.00 0.00 C ATOM 423 CD PRO A 28 17.373 2.163 -5.689 1.00 0.00 C ATOM 0 HA PRO A 28 15.483 3.760 -7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.905 2.915 -8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.826 4.204 -7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.522 1.305 -7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.253 2.724 -6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.503 1.215 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.541 2.954 -4.958 1.00 0.00 H new ATOM 431 N ARG A 29 15.515 0.642 -8.387 1.00 0.00 N ATOM 432 CA ARG A 29 15.024 -0.358 -9.322 1.00 0.00 C ATOM 433 C ARG A 29 13.546 -0.665 -9.087 1.00 0.00 C ATOM 434 O ARG A 29 12.774 -0.772 -10.040 1.00 0.00 O ATOM 435 CB ARG A 29 15.852 -1.641 -9.210 1.00 0.00 C ATOM 436 CG ARG A 29 15.459 -2.716 -10.212 1.00 0.00 C ATOM 437 CD ARG A 29 14.401 -3.651 -9.648 1.00 0.00 C ATOM 438 NE ARG A 29 13.807 -4.493 -10.682 1.00 0.00 N ATOM 439 CZ ARG A 29 14.079 -5.786 -10.829 1.00 0.00 C ATOM 440 NH1 ARG A 29 14.944 -6.381 -10.020 1.00 0.00 N ATOM 441 NH2 ARG A 29 13.487 -6.483 -11.789 1.00 0.00 N ATOM 0 H ARG A 29 15.792 0.271 -7.478 1.00 0.00 H new ATOM 0 HA ARG A 29 15.127 0.048 -10.328 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.905 -1.396 -9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.748 -2.042 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.082 -2.246 -11.121 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.341 -3.292 -10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.847 -4.282 -8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.619 -3.065 -9.165 1.00 0.00 H new ATOM 0 HE ARG A 29 13.145 -4.065 -11.329 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.403 -5.847 -9.282 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.151 -7.373 -10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.823 -6.027 -12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.696 -7.475 -11.902 1.00 0.00 H new ATOM 455 N LEU A 30 13.149 -0.808 -7.823 1.00 0.00 N ATOM 456 CA LEU A 30 11.767 -1.124 -7.475 1.00 0.00 C ATOM 457 C LEU A 30 10.817 0.039 -7.733 1.00 0.00 C ATOM 458 O LEU A 30 9.631 -0.174 -7.943 1.00 0.00 O ATOM 459 CB LEU A 30 11.683 -1.514 -5.996 1.00 0.00 C ATOM 460 CG LEU A 30 12.134 -2.938 -5.660 1.00 0.00 C ATOM 461 CD1 LEU A 30 13.612 -3.121 -5.968 1.00 0.00 C ATOM 462 CD2 LEU A 30 11.850 -3.247 -4.199 1.00 0.00 C ATOM 0 H LEU A 30 13.770 -0.709 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 30 11.460 -1.953 -8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.289 -0.815 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.652 -1.391 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 30 11.570 -3.635 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.912 -4.140 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.788 -2.937 -7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.197 -2.418 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.175 -4.262 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.391 -2.543 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.780 -3.158 -4.009 1.00 0.00 H new ATOM 474 N MET A 31 11.337 1.258 -7.683 1.00 0.00 N ATOM 475 CA MET A 31 10.527 2.460 -7.905 1.00 0.00 C ATOM 476 C MET A 31 9.364 2.217 -8.866 1.00 0.00 C ATOM 477 O MET A 31 8.276 2.760 -8.675 1.00 0.00 O ATOM 478 CB MET A 31 11.408 3.590 -8.434 1.00 0.00 C ATOM 479 CG MET A 31 12.556 3.098 -9.295 1.00 0.00 C ATOM 480 SD MET A 31 13.020 4.274 -10.581 1.00 0.00 S ATOM 481 CE MET A 31 13.630 5.638 -9.593 1.00 0.00 C ATOM 0 H MET A 31 12.321 1.446 -7.490 1.00 0.00 H new ATOM 0 HA MET A 31 10.097 2.739 -6.943 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.795 4.278 -9.016 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.809 4.154 -7.592 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.420 2.900 -8.661 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.277 2.152 -9.758 1.00 0.00 H new ATOM 0 HE1 MET A 31 13.721 6.527 -10.217 1.00 0.00 H new ATOM 0 HE2 MET A 31 12.934 5.836 -8.777 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.607 5.382 -9.183 1.00 0.00 H new ATOM 491 N MET A 32 9.592 1.409 -9.891 1.00 0.00 N ATOM 492 CA MET A 32 8.553 1.105 -10.868 1.00 0.00 C ATOM 493 C MET A 32 7.924 -0.253 -10.577 1.00 0.00 C ATOM 494 O MET A 32 6.728 -0.456 -10.793 1.00 0.00 O ATOM 495 CB MET A 32 9.132 1.123 -12.285 1.00 0.00 C ATOM 496 CG MET A 32 10.215 0.081 -12.513 1.00 0.00 C ATOM 497 SD MET A 32 10.968 0.206 -14.148 1.00 0.00 S ATOM 498 CE MET A 32 9.557 -0.117 -15.201 1.00 0.00 C ATOM 0 H MET A 32 10.486 0.952 -10.069 1.00 0.00 H new ATOM 0 HA MET A 32 7.780 1.870 -10.794 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.326 0.959 -13.000 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.543 2.112 -12.488 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.987 0.193 -11.752 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.788 -0.914 -12.389 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.900 -0.338 -16.212 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.001 -0.970 -14.812 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.910 0.760 -15.221 1.00 0.00 H new ATOM 508 N ARG A 33 8.740 -1.178 -10.086 1.00 0.00 N ATOM 509 CA ARG A 33 8.277 -2.519 -9.757 1.00 0.00 C ATOM 510 C ARG A 33 7.239 -2.488 -8.638 1.00 0.00 C ATOM 511 O ARG A 33 6.340 -3.328 -8.595 1.00 0.00 O ATOM 512 CB ARG A 33 9.457 -3.401 -9.341 1.00 0.00 C ATOM 513 CG ARG A 33 10.580 -3.450 -10.366 1.00 0.00 C ATOM 514 CD ARG A 33 10.122 -4.070 -11.677 1.00 0.00 C ATOM 515 NE ARG A 33 11.236 -4.284 -12.596 1.00 0.00 N ATOM 516 CZ ARG A 33 11.093 -4.746 -13.835 1.00 0.00 C ATOM 517 NH1 ARG A 33 9.887 -5.032 -14.305 1.00 0.00 N ATOM 518 NH2 ARG A 33 12.159 -4.921 -14.605 1.00 0.00 N ATOM 0 H ARG A 33 9.732 -1.021 -9.906 1.00 0.00 H new ATOM 0 HA ARG A 33 7.809 -2.937 -10.648 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.857 -3.034 -8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.096 -4.414 -9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.948 -2.441 -10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.414 -4.025 -9.964 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.629 -5.021 -11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.383 -3.421 -12.147 1.00 0.00 H new ATOM 0 HE ARG A 33 12.178 -4.067 -12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.065 -4.898 -13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.781 -5.386 -15.256 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.088 -4.701 -14.247 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.049 -5.275 -15.555 1.00 0.00 H new ATOM 532 N GLY A 34 7.364 -1.518 -7.733 1.00 0.00 N ATOM 533 CA GLY A 34 6.430 -1.412 -6.627 1.00 0.00 C ATOM 534 C GLY A 34 5.310 -0.435 -6.908 1.00 0.00 C ATOM 535 O GLY A 34 4.154 -0.694 -6.569 1.00 0.00 O ATOM 0 H GLY A 34 8.094 -0.806 -7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.007 -2.394 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.966 -1.098 -5.731 1.00 0.00 H new ATOM 539 N GLU A 35 5.649 0.693 -7.526 1.00 0.00 N ATOM 540 CA GLU A 35 4.657 1.708 -7.859 1.00 0.00 C ATOM 541 C GLU A 35 3.514 1.084 -8.641 1.00 0.00 C ATOM 542 O GLU A 35 2.345 1.392 -8.410 1.00 0.00 O ATOM 543 CB GLU A 35 5.297 2.828 -8.681 1.00 0.00 C ATOM 544 CG GLU A 35 4.386 4.024 -8.906 1.00 0.00 C ATOM 545 CD GLU A 35 4.160 4.832 -7.643 1.00 0.00 C ATOM 546 OE1 GLU A 35 5.142 5.395 -7.117 1.00 0.00 O ATOM 547 OE2 GLU A 35 3.001 4.905 -7.185 1.00 0.00 O ATOM 0 H GLU A 35 6.602 0.926 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 35 4.267 2.130 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.203 3.164 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.600 2.428 -9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.820 4.667 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.426 3.678 -9.288 1.00 0.00 H new ATOM 554 N ALA A 36 3.866 0.204 -9.570 1.00 0.00 N ATOM 555 CA ALA A 36 2.871 -0.475 -10.387 1.00 0.00 C ATOM 556 C ALA A 36 2.284 -1.675 -9.648 1.00 0.00 C ATOM 557 O ALA A 36 1.181 -2.128 -9.953 1.00 0.00 O ATOM 558 CB ALA A 36 3.486 -0.915 -11.708 1.00 0.00 C ATOM 0 H ALA A 36 4.831 -0.055 -9.775 1.00 0.00 H new ATOM 0 HA ALA A 36 2.061 0.226 -10.591 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.731 -1.422 -12.310 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.854 -0.042 -12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.314 -1.597 -11.515 1.00 0.00 H new ATOM 564 N LEU A 37 3.034 -2.186 -8.676 1.00 0.00 N ATOM 565 CA LEU A 37 2.604 -3.341 -7.893 1.00 0.00 C ATOM 566 C LEU A 37 1.431 -3.013 -6.971 1.00 0.00 C ATOM 567 O LEU A 37 0.515 -3.820 -6.819 1.00 0.00 O ATOM 568 CB LEU A 37 3.772 -3.875 -7.063 1.00 0.00 C ATOM 569 CG LEU A 37 4.082 -5.362 -7.256 1.00 0.00 C ATOM 570 CD1 LEU A 37 2.950 -6.217 -6.709 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.329 -5.674 -8.724 1.00 0.00 C ATOM 0 H LEU A 37 3.947 -1.817 -8.411 1.00 0.00 H new ATOM 0 HA LEU A 37 2.268 -4.101 -8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.664 -3.299 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.559 -3.698 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 37 4.990 -5.598 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.187 -7.271 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.824 -6.017 -5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.026 -5.977 -7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.547 -6.736 -8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.441 -5.421 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.176 -5.089 -9.083 1.00 0.00 H new ATOM 583 N VAL A 38 1.453 -1.832 -6.359 1.00 0.00 N ATOM 584 CA VAL A 38 0.384 -1.444 -5.442 1.00 0.00 C ATOM 585 C VAL A 38 -0.905 -1.143 -6.198 1.00 0.00 C ATOM 586 O VAL A 38 -1.995 -1.503 -5.756 1.00 0.00 O ATOM 587 CB VAL A 38 0.771 -0.222 -4.583 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.207 -0.352 -4.099 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.580 1.074 -5.355 1.00 0.00 C ATOM 0 H VAL A 38 2.188 -1.135 -6.478 1.00 0.00 H new ATOM 0 HA VAL A 38 0.223 -2.293 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 38 0.111 -0.193 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.467 0.517 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.308 -1.256 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.876 -0.410 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.861 1.918 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.207 1.062 -6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.465 1.172 -5.648 1.00 0.00 H new ATOM 599 N TYR A 39 -0.770 -0.479 -7.341 1.00 0.00 N ATOM 600 CA TYR A 39 -1.922 -0.132 -8.160 1.00 0.00 C ATOM 601 C TYR A 39 -2.440 -1.363 -8.900 1.00 0.00 C ATOM 602 O TYR A 39 -3.599 -1.410 -9.312 1.00 0.00 O ATOM 603 CB TYR A 39 -1.550 0.988 -9.141 1.00 0.00 C ATOM 604 CG TYR A 39 -1.590 0.587 -10.599 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.483 0.014 -11.207 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.731 0.786 -11.365 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.510 -0.352 -12.539 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.768 0.422 -12.697 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.655 -0.146 -13.280 1.00 0.00 C ATOM 610 OH TYR A 39 -1.686 -0.510 -14.606 1.00 0.00 O ATOM 0 H TYR A 39 0.126 -0.171 -7.720 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.722 0.230 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.230 1.826 -8.990 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.548 1.344 -8.903 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.415 -0.149 -10.630 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.604 1.233 -10.912 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.361 -0.797 -12.998 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.664 0.581 -13.279 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.566 -0.299 -14.983 1.00 0.00 H new ATOM 620 N ALA A 40 -1.570 -2.357 -9.064 1.00 0.00 N ATOM 621 CA ALA A 40 -1.945 -3.592 -9.739 1.00 0.00 C ATOM 622 C ALA A 40 -3.024 -4.319 -8.948 1.00 0.00 C ATOM 623 O ALA A 40 -4.001 -4.811 -9.513 1.00 0.00 O ATOM 624 CB ALA A 40 -0.729 -4.487 -9.926 1.00 0.00 C ATOM 0 H ALA A 40 -0.604 -2.329 -8.739 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.343 -3.343 -10.723 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.027 -5.405 -10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.016 -3.967 -10.528 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.304 -4.731 -8.953 1.00 0.00 H new ATOM 630 N TRP A 41 -2.835 -4.387 -7.635 1.00 0.00 N ATOM 631 CA TRP A 41 -3.797 -5.038 -6.755 1.00 0.00 C ATOM 632 C TRP A 41 -5.042 -4.175 -6.593 1.00 0.00 C ATOM 633 O TRP A 41 -6.152 -4.686 -6.455 1.00 0.00 O ATOM 634 CB TRP A 41 -3.175 -5.302 -5.383 1.00 0.00 C ATOM 635 CG TRP A 41 -2.126 -6.373 -5.388 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.776 -6.201 -5.489 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.345 -7.785 -5.282 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.141 -7.418 -5.452 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.083 -8.407 -5.326 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.485 -8.583 -5.154 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -0.930 -9.789 -5.245 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.333 -9.954 -5.074 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.064 -10.545 -5.120 1.00 0.00 C ATOM 0 H TRP A 41 -2.023 -3.998 -7.156 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.079 -5.989 -7.207 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.734 -4.377 -5.011 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.964 -5.583 -4.685 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.279 -5.247 -5.584 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.867 -7.563 -5.509 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.468 -8.136 -5.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.047 -10.247 -5.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.207 -10.580 -4.974 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.979 -11.620 -5.055 1.00 0.00 H new ATOM 654 N MET A 42 -4.844 -2.860 -6.614 1.00 0.00 N ATOM 655 CA MET A 42 -5.940 -1.916 -6.458 1.00 0.00 C ATOM 656 C MET A 42 -6.957 -2.047 -7.589 1.00 0.00 C ATOM 657 O MET A 42 -8.165 -2.066 -7.346 1.00 0.00 O ATOM 658 CB MET A 42 -5.396 -0.490 -6.404 1.00 0.00 C ATOM 659 CG MET A 42 -6.329 0.485 -5.714 1.00 0.00 C ATOM 660 SD MET A 42 -6.766 -0.040 -4.047 1.00 0.00 S ATOM 661 CE MET A 42 -7.830 1.306 -3.543 1.00 0.00 C ATOM 0 H MET A 42 -3.930 -2.425 -6.738 1.00 0.00 H new ATOM 0 HA MET A 42 -6.450 -2.145 -5.523 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.438 -0.494 -5.884 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.206 -0.143 -7.420 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.856 1.466 -5.670 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.237 0.595 -6.307 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.351 1.868 -2.741 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.009 1.966 -4.392 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.780 0.906 -3.188 1.00 0.00 H new ATOM 671 N ARG A 43 -6.469 -2.135 -8.823 1.00 0.00 N ATOM 672 CA ARG A 43 -7.350 -2.258 -9.980 1.00 0.00 C ATOM 673 C ARG A 43 -8.063 -3.607 -9.983 1.00 0.00 C ATOM 674 O ARG A 43 -9.006 -3.820 -10.747 1.00 0.00 O ATOM 675 CB ARG A 43 -6.562 -2.063 -11.282 1.00 0.00 C ATOM 676 CG ARG A 43 -5.398 -3.025 -11.457 1.00 0.00 C ATOM 677 CD ARG A 43 -5.846 -4.347 -12.061 1.00 0.00 C ATOM 678 NE ARG A 43 -4.714 -5.207 -12.397 1.00 0.00 N ATOM 679 CZ ARG A 43 -4.836 -6.379 -13.014 1.00 0.00 C ATOM 680 NH1 ARG A 43 -6.036 -6.832 -13.355 1.00 0.00 N ATOM 681 NH2 ARG A 43 -3.758 -7.099 -13.293 1.00 0.00 N ATOM 0 H ARG A 43 -5.474 -2.124 -9.047 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.106 -1.476 -9.913 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.243 -2.177 -12.126 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.182 -1.042 -11.314 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.643 -2.570 -12.098 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.928 -3.207 -10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.498 -4.865 -11.357 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.434 -4.155 -12.958 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.778 -4.891 -12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.868 -6.281 -13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.126 -7.731 -13.828 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.834 -6.754 -13.034 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.853 -7.998 -13.766 1.00 0.00 H new ATOM 695 N ARG A 44 -7.604 -4.515 -9.127 1.00 0.00 N ATOM 696 CA ARG A 44 -8.204 -5.840 -9.022 1.00 0.00 C ATOM 697 C ARG A 44 -9.367 -5.822 -8.033 1.00 0.00 C ATOM 698 O ARG A 44 -10.221 -6.710 -8.043 1.00 0.00 O ATOM 699 CB ARG A 44 -7.157 -6.866 -8.581 1.00 0.00 C ATOM 700 CG ARG A 44 -6.063 -7.102 -9.610 1.00 0.00 C ATOM 701 CD ARG A 44 -5.064 -8.143 -9.131 1.00 0.00 C ATOM 702 NE ARG A 44 -3.949 -8.303 -10.060 1.00 0.00 N ATOM 703 CZ ARG A 44 -3.013 -9.240 -9.937 1.00 0.00 C ATOM 704 NH1 ARG A 44 -3.066 -10.107 -8.934 1.00 0.00 N ATOM 705 NH2 ARG A 44 -2.027 -9.314 -10.820 1.00 0.00 N ATOM 0 H ARG A 44 -6.818 -4.357 -8.496 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.583 -6.124 -10.004 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.701 -6.530 -7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.655 -7.812 -8.369 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.509 -7.429 -10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.545 -6.165 -9.813 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.681 -7.854 -8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.571 -9.100 -9.005 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.884 -7.659 -10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.826 -10.056 -8.255 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.347 -10.825 -8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.986 -8.652 -11.595 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.310 -10.033 -10.725 1.00 0.00 H new ATOM 719 N LEU A 45 -9.387 -4.802 -7.183 1.00 0.00 N ATOM 720 CA LEU A 45 -10.437 -4.653 -6.183 1.00 0.00 C ATOM 721 C LEU A 45 -11.664 -3.952 -6.759 1.00 0.00 C ATOM 722 O LEU A 45 -12.773 -4.118 -6.260 1.00 0.00 O ATOM 723 CB LEU A 45 -9.927 -3.864 -4.983 1.00 0.00 C ATOM 724 CG LEU A 45 -8.477 -4.146 -4.582 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.058 -3.236 -3.436 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.302 -5.607 -4.196 1.00 0.00 C ATOM 0 H LEU A 45 -8.684 -4.063 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.725 -5.656 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.026 -2.800 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.570 -4.077 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.836 -3.941 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.025 -3.448 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.144 -2.195 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.705 -3.412 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.265 -5.787 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.953 -5.841 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.563 -6.241 -5.043 1.00 0.00 H new ATOM 738 N CYS A 46 -11.458 -3.155 -7.800 1.00 0.00 N ATOM 739 CA CYS A 46 -12.555 -2.436 -8.442 1.00 0.00 C ATOM 740 C CYS A 46 -12.680 -2.849 -9.906 1.00 0.00 C ATOM 741 O CYS A 46 -11.712 -3.304 -10.515 1.00 0.00 O ATOM 742 CB CYS A 46 -12.335 -0.926 -8.345 1.00 0.00 C ATOM 743 SG CYS A 46 -13.692 0.064 -9.014 1.00 0.00 S ATOM 0 H CYS A 46 -10.543 -2.989 -8.219 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.479 -2.691 -7.924 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.186 -0.658 -7.299 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.417 -0.669 -8.874 1.00 0.00 H new ATOM 0 HG CYS A 46 -13.413 1.327 -8.884 1.00 0.00 H new ATOM 749 N GLU A 47 -13.875 -2.690 -10.464 1.00 0.00 N ATOM 750 CA GLU A 47 -14.119 -3.053 -11.856 1.00 0.00 C ATOM 751 C GLU A 47 -13.974 -1.840 -12.771 1.00 0.00 C ATOM 752 O GLU A 47 -13.777 -1.982 -13.978 1.00 0.00 O ATOM 753 CB GLU A 47 -15.516 -3.659 -12.009 1.00 0.00 C ATOM 754 CG GLU A 47 -16.641 -2.692 -11.678 1.00 0.00 C ATOM 755 CD GLU A 47 -18.012 -3.325 -11.819 1.00 0.00 C ATOM 756 OE1 GLU A 47 -18.524 -3.385 -12.956 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.575 -3.759 -10.791 1.00 0.00 O ATOM 0 H GLU A 47 -14.688 -2.313 -9.976 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.375 -3.794 -12.147 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.640 -4.010 -13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.597 -4.532 -11.361 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.515 -2.329 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.575 -1.825 -12.335 1.00 0.00 H new ATOM 764 N ARG A 48 -14.075 -0.649 -12.189 1.00 0.00 N ATOM 765 CA ARG A 48 -13.960 0.588 -12.957 1.00 0.00 C ATOM 766 C ARG A 48 -12.725 1.385 -12.545 1.00 0.00 C ATOM 767 O ARG A 48 -12.598 2.564 -12.877 1.00 0.00 O ATOM 768 CB ARG A 48 -15.218 1.439 -12.776 1.00 0.00 C ATOM 769 CG ARG A 48 -15.514 1.791 -11.326 1.00 0.00 C ATOM 770 CD ARG A 48 -16.792 2.603 -11.199 1.00 0.00 C ATOM 771 NE ARG A 48 -17.955 1.878 -11.703 1.00 0.00 N ATOM 772 CZ ARG A 48 -19.212 2.230 -11.449 1.00 0.00 C ATOM 773 NH1 ARG A 48 -19.469 3.293 -10.698 1.00 0.00 N ATOM 774 NH2 ARG A 48 -20.215 1.519 -11.946 1.00 0.00 N ATOM 0 H ARG A 48 -14.236 -0.513 -11.191 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.854 0.322 -14.009 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.109 2.360 -13.349 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.071 0.904 -13.192 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.603 0.877 -10.740 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.680 2.356 -10.910 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.953 2.864 -10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.683 3.539 -11.747 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.794 1.055 -12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.701 3.843 -10.313 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.434 3.560 -10.505 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.023 0.701 -12.524 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.179 1.790 -11.750 1.00 0.00 H new ATOM 788 N TYR A 49 -11.816 0.738 -11.822 1.00 0.00 N ATOM 789 CA TYR A 49 -10.596 1.390 -11.368 1.00 0.00 C ATOM 790 C TYR A 49 -9.663 1.679 -12.536 1.00 0.00 C ATOM 791 O TYR A 49 -8.833 0.847 -12.907 1.00 0.00 O ATOM 792 CB TYR A 49 -9.878 0.528 -10.331 1.00 0.00 C ATOM 793 CG TYR A 49 -9.245 1.335 -9.222 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.041 1.998 -9.415 1.00 0.00 C ATOM 795 CD2 TYR A 49 -9.859 1.438 -7.981 1.00 0.00 C ATOM 796 CE1 TYR A 49 -7.466 2.743 -8.403 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.292 2.178 -6.964 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.096 2.829 -7.180 1.00 0.00 C ATOM 799 OH TYR A 49 -7.527 3.569 -6.169 1.00 0.00 O ATOM 0 H TYR A 49 -11.903 -0.238 -11.539 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.878 2.337 -10.907 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.589 -0.177 -9.899 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.107 -0.061 -10.828 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.545 1.931 -10.372 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.796 0.930 -7.809 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.529 3.254 -8.569 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.782 2.247 -6.004 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.232 3.931 -5.592 1.00 0.00 H new ATOM 809 N ASN A 50 -9.814 2.861 -13.114 1.00 0.00 N ATOM 810 CA ASN A 50 -8.987 3.277 -14.241 1.00 0.00 C ATOM 811 C ASN A 50 -7.636 3.810 -13.767 1.00 0.00 C ATOM 812 O ASN A 50 -6.672 3.847 -14.531 1.00 0.00 O ATOM 813 CB ASN A 50 -9.711 4.345 -15.063 1.00 0.00 C ATOM 814 CG ASN A 50 -11.059 3.872 -15.573 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.170 2.575 -15.840 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -11.989 4.663 -15.729 1.00 0.00 N flip ATOM 0 H ASN A 50 -10.504 3.553 -12.821 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.808 2.403 -14.867 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.850 5.237 -14.452 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.087 4.633 -15.909 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.860 5.651 -15.511 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.889 4.330 -16.076 1.00 0.00 H new ATOM 823 N GLY A 51 -7.574 4.221 -12.502 1.00 0.00 N ATOM 824 CA GLY A 51 -6.335 4.745 -11.951 1.00 0.00 C ATOM 825 C GLY A 51 -6.572 5.781 -10.869 1.00 0.00 C ATOM 826 O GLY A 51 -7.711 6.179 -10.622 1.00 0.00 O ATOM 0 H GLY A 51 -8.358 4.201 -11.850 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.748 3.924 -11.540 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.744 5.190 -12.752 1.00 0.00 H new ATOM 830 N ALA A 52 -5.494 6.221 -10.221 1.00 0.00 N ATOM 831 CA ALA A 52 -5.596 7.216 -9.159 1.00 0.00 C ATOM 832 C ALA A 52 -4.226 7.767 -8.780 1.00 0.00 C ATOM 833 O ALA A 52 -3.196 7.228 -9.183 1.00 0.00 O ATOM 834 CB ALA A 52 -6.273 6.612 -7.940 1.00 0.00 C ATOM 0 H ALA A 52 -4.544 5.904 -10.413 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.199 8.044 -9.531 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.344 7.363 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.273 6.274 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.688 5.765 -7.581 1.00 0.00 H new ATOM 840 N TYR A 53 -4.222 8.847 -8.001 1.00 0.00 N ATOM 841 CA TYR A 53 -2.980 9.467 -7.559 1.00 0.00 C ATOM 842 C TYR A 53 -2.474 8.813 -6.280 1.00 0.00 C ATOM 843 O TYR A 53 -2.833 9.218 -5.176 1.00 0.00 O ATOM 844 CB TYR A 53 -3.176 10.967 -7.345 1.00 0.00 C ATOM 845 CG TYR A 53 -3.037 11.780 -8.609 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.877 11.712 -9.372 1.00 0.00 C ATOM 847 CD2 TYR A 53 -4.060 12.613 -9.042 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.742 12.453 -10.531 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.933 13.356 -10.201 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.772 13.273 -10.941 1.00 0.00 C ATOM 851 OH TYR A 53 -2.641 14.012 -12.094 1.00 0.00 O ATOM 0 H TYR A 53 -5.067 9.309 -7.664 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.232 9.321 -8.339 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.165 11.139 -6.919 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.448 11.320 -6.614 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.069 11.070 -9.054 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.970 12.682 -8.464 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.834 12.390 -11.113 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.739 13.998 -10.525 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.456 14.536 -12.241 1.00 0.00 H new ATOM 861 N TRP A 54 -1.648 7.789 -6.446 1.00 0.00 N ATOM 862 CA TRP A 54 -1.083 7.054 -5.319 1.00 0.00 C ATOM 863 C TRP A 54 -0.035 7.884 -4.578 1.00 0.00 C ATOM 864 O TRP A 54 1.169 7.700 -4.764 1.00 0.00 O ATOM 865 CB TRP A 54 -0.473 5.742 -5.814 1.00 0.00 C ATOM 866 CG TRP A 54 -1.150 5.209 -7.043 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.422 4.717 -7.132 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.594 5.124 -8.361 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.689 4.331 -8.423 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.583 4.570 -9.196 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.642 5.463 -8.916 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.372 4.347 -10.554 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.850 5.242 -10.264 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.153 4.689 -11.071 1.00 0.00 C ATOM 0 H TRP A 54 -1.351 7.445 -7.359 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.886 6.837 -4.615 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.585 5.897 -6.026 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.533 4.997 -5.020 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.116 4.643 -6.308 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.568 3.931 -8.753 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.421 5.890 -8.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.144 3.919 -11.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.802 5.500 -10.703 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.040 4.530 -12.122 1.00 0.00 H new ATOM 885 N HIS A 55 -0.510 8.809 -3.748 1.00 0.00 N ATOM 886 CA HIS A 55 0.362 9.677 -2.969 1.00 0.00 C ATOM 887 C HIS A 55 1.355 8.869 -2.149 1.00 0.00 C ATOM 888 O HIS A 55 1.052 7.768 -1.690 1.00 0.00 O ATOM 889 CB HIS A 55 -0.462 10.569 -2.039 1.00 0.00 C ATOM 890 CG HIS A 55 -1.422 11.464 -2.755 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.073 12.702 -3.251 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.732 11.297 -3.052 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.125 13.258 -3.824 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.144 12.425 -3.717 1.00 0.00 N ATOM 0 H HIS A 55 -1.505 8.976 -3.598 1.00 0.00 H new ATOM 0 HA HIS A 55 0.917 10.300 -3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.017 9.939 -1.344 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.215 11.181 -1.443 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.339 10.437 -2.811 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.148 14.228 -4.299 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -4.086 12.593 -4.071 1.00 0.00 H new ATOM 903 N TYR A 56 2.544 9.428 -1.972 1.00 0.00 N ATOM 904 CA TYR A 56 3.589 8.772 -1.198 1.00 0.00 C ATOM 905 C TYR A 56 3.517 9.217 0.259 1.00 0.00 C ATOM 906 O TYR A 56 3.368 10.405 0.547 1.00 0.00 O ATOM 907 CB TYR A 56 4.972 9.089 -1.779 1.00 0.00 C ATOM 908 CG TYR A 56 5.089 8.864 -3.276 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.221 8.009 -3.948 1.00 0.00 C ATOM 910 CD2 TYR A 56 6.070 9.512 -4.017 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.329 7.809 -5.312 1.00 0.00 C ATOM 912 CE2 TYR A 56 6.183 9.316 -5.380 1.00 0.00 C ATOM 913 CZ TYR A 56 5.311 8.465 -6.022 1.00 0.00 C ATOM 914 OH TYR A 56 5.421 8.269 -7.379 1.00 0.00 O ATOM 0 H TYR A 56 2.809 10.336 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 56 3.433 7.694 -1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.215 10.129 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.716 8.474 -1.272 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.450 7.493 -3.395 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.756 10.181 -3.519 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.647 7.142 -5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.952 9.828 -5.940 1.00 0.00 H new ATOM 0 HH TYR A 56 5.372 7.310 -7.576 1.00 0.00 H new ATOM 924 N TYR A 57 3.624 8.261 1.174 1.00 0.00 N ATOM 925 CA TYR A 57 3.559 8.564 2.599 1.00 0.00 C ATOM 926 C TYR A 57 4.813 8.099 3.331 1.00 0.00 C ATOM 927 O TYR A 57 5.375 7.049 3.022 1.00 0.00 O ATOM 928 CB TYR A 57 2.319 7.926 3.224 1.00 0.00 C ATOM 929 CG TYR A 57 1.049 8.705 2.969 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.649 9.711 3.839 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.253 8.439 1.863 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.507 10.430 3.614 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.906 9.155 1.631 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.282 10.149 2.509 1.00 0.00 C ATOM 935 OH TYR A 57 -2.436 10.864 2.282 1.00 0.00 O ATOM 0 H TYR A 57 3.756 7.273 0.956 1.00 0.00 H new ATOM 0 HA TYR A 57 3.494 9.647 2.702 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.202 6.916 2.831 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.470 7.834 4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.253 9.934 4.706 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.544 7.661 1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.803 11.209 4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.514 8.937 0.766 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.864 10.542 1.461 1.00 0.00 H new ATOM 945 N ALA A 58 5.240 8.894 4.307 1.00 0.00 N ATOM 946 CA ALA A 58 6.425 8.581 5.094 1.00 0.00 C ATOM 947 C ALA A 58 6.043 8.167 6.511 1.00 0.00 C ATOM 948 O ALA A 58 5.611 8.994 7.314 1.00 0.00 O ATOM 949 CB ALA A 58 7.365 9.775 5.131 1.00 0.00 C ATOM 0 H ALA A 58 4.779 9.764 4.572 1.00 0.00 H new ATOM 0 HA ALA A 58 6.937 7.744 4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.246 9.526 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.670 10.030 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.854 10.626 5.581 1.00 0.00 H new ATOM 955 N LEU A 59 6.204 6.883 6.807 1.00 0.00 N ATOM 956 CA LEU A 59 5.875 6.357 8.126 1.00 0.00 C ATOM 957 C LEU A 59 7.052 6.515 9.085 1.00 0.00 C ATOM 958 O LEU A 59 8.207 6.570 8.663 1.00 0.00 O ATOM 959 CB LEU A 59 5.464 4.890 8.016 1.00 0.00 C ATOM 960 CG LEU A 59 3.983 4.661 7.708 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.770 3.288 7.091 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.146 4.821 8.967 1.00 0.00 C ATOM 0 H LEU A 59 6.560 6.187 6.152 1.00 0.00 H new ATOM 0 HA LEU A 59 5.038 6.928 8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.060 4.418 7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.708 4.387 8.952 1.00 0.00 H new ATOM 0 HG LEU A 59 3.662 5.412 6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.710 3.145 6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.338 3.214 6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.108 2.520 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.095 4.655 8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.469 4.095 9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.273 5.829 9.363 1.00 0.00 H new ATOM 974 N SER A 60 6.747 6.586 10.378 1.00 0.00 N ATOM 975 CA SER A 60 7.773 6.749 11.402 1.00 0.00 C ATOM 976 C SER A 60 8.725 5.558 11.429 1.00 0.00 C ATOM 977 O SER A 60 9.901 5.699 11.762 1.00 0.00 O ATOM 978 CB SER A 60 7.124 6.928 12.776 1.00 0.00 C ATOM 979 OG SER A 60 8.104 7.118 13.783 1.00 0.00 O ATOM 0 H SER A 60 5.795 6.533 10.741 1.00 0.00 H new ATOM 0 HA SER A 60 8.351 7.640 11.157 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.450 7.784 12.754 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.520 6.052 13.013 1.00 0.00 H new ATOM 0 HG SER A 60 7.663 7.231 14.651 1.00 0.00 H new ATOM 985 N ASP A 61 8.210 4.383 11.080 1.00 0.00 N ATOM 986 CA ASP A 61 9.022 3.171 11.071 1.00 0.00 C ATOM 987 C ASP A 61 9.794 3.038 9.763 1.00 0.00 C ATOM 988 O ASP A 61 10.551 2.086 9.572 1.00 0.00 O ATOM 989 CB ASP A 61 8.144 1.935 11.280 1.00 0.00 C ATOM 990 CG ASP A 61 7.449 1.937 12.627 1.00 0.00 C ATOM 991 OD1 ASP A 61 8.080 2.354 13.620 1.00 0.00 O ATOM 992 OD2 ASP A 61 6.276 1.515 12.688 1.00 0.00 O ATOM 0 H ASP A 61 7.239 4.245 10.801 1.00 0.00 H new ATOM 0 HA ASP A 61 9.737 3.244 11.890 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.396 1.887 10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.758 1.038 11.193 1.00 0.00 H new ATOM 997 N GLY A 62 9.599 3.997 8.866 1.00 0.00 N ATOM 998 CA GLY A 62 10.283 3.967 7.587 1.00 0.00 C ATOM 999 C GLY A 62 9.633 3.007 6.611 1.00 0.00 C ATOM 1000 O GLY A 62 10.178 2.737 5.541 1.00 0.00 O ATOM 0 H GLY A 62 8.979 4.795 9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.291 4.969 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.323 3.678 7.740 1.00 0.00 H new ATOM 1004 N GLY A 63 8.467 2.490 6.985 1.00 0.00 N ATOM 1005 CA GLY A 63 7.757 1.561 6.124 1.00 0.00 C ATOM 1006 C GLY A 63 7.387 2.179 4.790 1.00 0.00 C ATOM 1007 O GLY A 63 7.595 1.571 3.740 1.00 0.00 O ATOM 0 H GLY A 63 8.001 2.697 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.377 0.681 5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.852 1.222 6.628 1.00 0.00 H new ATOM 1011 N PHE A 64 6.839 3.392 4.838 1.00 0.00 N ATOM 1012 CA PHE A 64 6.434 4.107 3.631 1.00 0.00 C ATOM 1013 C PHE A 64 5.339 3.356 2.879 1.00 0.00 C ATOM 1014 O PHE A 64 5.538 2.227 2.428 1.00 0.00 O ATOM 1015 CB PHE A 64 7.644 4.342 2.716 1.00 0.00 C ATOM 1016 CG PHE A 64 7.295 4.467 1.258 1.00 0.00 C ATOM 1017 CD1 PHE A 64 6.757 5.641 0.758 1.00 0.00 C ATOM 1018 CD2 PHE A 64 7.504 3.407 0.392 1.00 0.00 C ATOM 1019 CE1 PHE A 64 6.434 5.755 -0.581 1.00 0.00 C ATOM 1020 CE2 PHE A 64 7.183 3.515 -0.948 1.00 0.00 C ATOM 1021 CZ PHE A 64 6.647 4.691 -1.434 1.00 0.00 C ATOM 0 H PHE A 64 6.665 3.901 5.704 1.00 0.00 H new ATOM 0 HA PHE A 64 6.029 5.072 3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.157 5.249 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.346 3.518 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.588 6.476 1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.923 2.485 0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.015 6.676 -0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.351 2.681 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.395 4.778 -2.480 1.00 0.00 H new ATOM 1031 N TYR A 65 4.182 3.993 2.752 1.00 0.00 N ATOM 1032 CA TYR A 65 3.057 3.397 2.044 1.00 0.00 C ATOM 1033 C TYR A 65 2.436 4.409 1.081 1.00 0.00 C ATOM 1034 O TYR A 65 2.535 5.618 1.290 1.00 0.00 O ATOM 1035 CB TYR A 65 2.006 2.884 3.035 1.00 0.00 C ATOM 1036 CG TYR A 65 0.960 3.908 3.419 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.181 4.804 4.458 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.249 3.977 2.738 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.224 5.739 4.807 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.208 4.910 3.081 1.00 0.00 C ATOM 1041 CZ TYR A 65 -0.966 5.788 4.116 1.00 0.00 C ATOM 1042 OH TYR A 65 -1.919 6.720 4.460 1.00 0.00 O ATOM 0 H TYR A 65 3.998 4.922 3.130 1.00 0.00 H new ATOM 0 HA TYR A 65 3.425 2.549 1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.507 2.017 2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.512 2.542 3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.114 4.770 5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.442 3.290 1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.409 6.428 5.618 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.143 4.951 2.541 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.699 6.622 3.875 1.00 0.00 H new ATOM 1052 N MET A 66 1.801 3.909 0.027 1.00 0.00 N ATOM 1053 CA MET A 66 1.165 4.772 -0.965 1.00 0.00 C ATOM 1054 C MET A 66 -0.345 4.577 -0.962 1.00 0.00 C ATOM 1055 O MET A 66 -0.839 3.461 -0.800 1.00 0.00 O ATOM 1056 CB MET A 66 1.728 4.488 -2.358 1.00 0.00 C ATOM 1057 CG MET A 66 3.245 4.580 -2.429 1.00 0.00 C ATOM 1058 SD MET A 66 3.862 4.614 -4.123 1.00 0.00 S ATOM 1059 CE MET A 66 3.048 3.176 -4.809 1.00 0.00 C ATOM 0 H MET A 66 1.712 2.911 -0.164 1.00 0.00 H new ATOM 0 HA MET A 66 1.380 5.808 -0.702 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.417 3.491 -2.671 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.295 5.194 -3.067 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.575 5.479 -1.908 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.681 3.730 -1.905 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.754 2.616 -5.422 1.00 0.00 H new ATOM 0 HE2 MET A 66 2.687 2.542 -4.000 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.206 3.493 -5.424 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.072 5.672 -1.144 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.531 5.626 -1.157 1.00 0.00 C ATOM 1071 C ALA A 67 -3.106 6.447 -2.309 1.00 0.00 C ATOM 1072 O ALA A 67 -2.619 7.538 -2.604 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.083 6.127 0.168 1.00 0.00 C ATOM 0 H ALA A 67 -0.677 6.602 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.831 4.588 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.172 6.088 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.713 5.498 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.760 7.155 0.331 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.156 5.931 -2.976 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.799 6.628 -4.093 1.00 0.00 C ATOM 1081 C PRO A 68 -5.515 7.894 -3.633 1.00 0.00 C ATOM 1082 O PRO A 68 -5.779 8.067 -2.444 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.804 5.605 -4.628 1.00 0.00 C ATOM 1084 CG PRO A 68 -6.080 4.706 -3.473 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.798 4.634 -2.692 1.00 0.00 C ATOM 0 HA PRO A 68 -4.079 6.957 -4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.715 6.091 -4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.394 5.051 -5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.890 5.097 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.387 3.717 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.983 4.501 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.177 3.798 -3.014 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.819 8.780 -4.575 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.495 10.031 -4.252 1.00 0.00 C ATOM 1095 C ASP A 69 -7.972 9.996 -4.643 1.00 0.00 C ATOM 1096 O ASP A 69 -8.340 10.413 -5.742 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.800 11.194 -4.958 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.354 12.541 -4.535 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -5.962 13.033 -3.456 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.178 13.106 -5.285 1.00 0.00 O ATOM 0 H ASP A 69 -5.609 8.656 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.440 10.168 -3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.732 11.160 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.912 11.080 -6.036 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.814 9.491 -3.741 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.254 9.418 -3.987 1.00 0.00 C ATOM 1107 C LEU A 70 -11.026 9.777 -2.722 1.00 0.00 C ATOM 1108 O LEU A 70 -11.102 8.982 -1.785 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.675 8.018 -4.458 1.00 0.00 C ATOM 1110 CG LEU A 70 -10.282 7.643 -5.892 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.591 8.780 -6.856 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -8.816 7.254 -5.964 1.00 0.00 C ATOM 0 H LEU A 70 -8.524 9.127 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.487 10.133 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.241 7.283 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.758 7.936 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.876 6.780 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.303 8.489 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.659 8.998 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.033 9.669 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.559 6.992 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.201 8.093 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.634 6.398 -5.315 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.595 10.978 -2.696 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.359 11.434 -1.540 1.00 0.00 C ATOM 1126 C ALA A 71 -13.832 11.069 -1.676 1.00 0.00 C ATOM 1127 O ALA A 71 -14.523 11.553 -2.573 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.200 12.937 -1.362 1.00 0.00 C ATOM 0 H ALA A 71 -11.542 11.652 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.968 10.931 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -12.775 13.264 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.148 13.176 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.563 13.449 -2.253 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.308 10.209 -0.779 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.697 9.792 -0.816 1.00 0.00 C ATOM 1136 C GLY A 72 -15.861 8.300 -0.607 1.00 0.00 C ATOM 1137 O GLY A 72 -15.030 7.660 0.038 1.00 0.00 O ATOM 0 H GLY A 72 -13.756 9.794 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.254 10.327 -0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.131 10.071 -1.776 1.00 0.00 H new ATOM 1141 N ARG A 73 -16.938 7.744 -1.155 1.00 0.00 N ATOM 1142 CA ARG A 73 -17.218 6.323 -1.029 1.00 0.00 C ATOM 1143 C ARG A 73 -17.157 5.639 -2.388 1.00 0.00 C ATOM 1144 O ARG A 73 -17.925 5.959 -3.294 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.594 6.107 -0.395 1.00 0.00 C ATOM 1146 CG ARG A 73 -18.706 6.659 1.016 1.00 0.00 C ATOM 1147 CD ARG A 73 -20.129 6.558 1.542 1.00 0.00 C ATOM 1148 NE ARG A 73 -20.635 5.190 1.495 1.00 0.00 N ATOM 1149 CZ ARG A 73 -21.926 4.883 1.407 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -22.838 5.845 1.363 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -22.305 3.613 1.363 1.00 0.00 N ATOM 0 H ARG A 73 -17.633 8.262 -1.693 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.458 5.881 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -19.352 6.578 -1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.813 5.039 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.033 6.112 1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.386 7.701 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.162 6.921 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.779 7.205 0.954 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.960 4.426 1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.550 6.823 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.828 5.607 1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -21.606 2.871 1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -23.295 3.378 1.296 1.00 0.00 H new ATOM 1165 N LEU A 74 -16.235 4.696 -2.516 1.00 0.00 N ATOM 1166 CA LEU A 74 -16.061 3.955 -3.759 1.00 0.00 C ATOM 1167 C LEU A 74 -16.128 2.451 -3.510 1.00 0.00 C ATOM 1168 O LEU A 74 -15.392 1.915 -2.680 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.728 4.319 -4.422 1.00 0.00 C ATOM 1170 CG LEU A 74 -13.492 4.164 -3.533 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -12.250 3.946 -4.385 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.317 5.389 -2.645 1.00 0.00 C ATOM 0 H LEU A 74 -15.593 4.424 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.874 4.231 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.599 3.696 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.782 5.352 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.633 3.292 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.379 3.838 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.373 3.043 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.107 4.801 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.433 5.262 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.196 6.275 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.196 5.508 -2.011 1.00 0.00 H new ATOM 1184 N GLU A 75 -17.020 1.778 -4.231 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.191 0.337 -4.090 1.00 0.00 C ATOM 1186 C GLU A 75 -15.923 -0.411 -4.489 1.00 0.00 C ATOM 1187 O GLU A 75 -15.533 -0.422 -5.656 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.375 -0.143 -4.935 1.00 0.00 C ATOM 1189 CG GLU A 75 -18.294 0.275 -6.394 1.00 0.00 C ATOM 1190 CD GLU A 75 -19.473 -0.221 -7.209 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -19.402 -1.355 -7.726 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -20.467 0.525 -7.329 1.00 0.00 O ATOM 0 H GLU A 75 -17.636 2.209 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.394 0.124 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.432 -1.230 -4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.298 0.246 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -18.247 1.362 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.370 -0.109 -6.827 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.281 -1.030 -3.505 1.00 0.00 N ATOM 1200 CA ILE A 76 -14.059 -1.785 -3.741 1.00 0.00 C ATOM 1201 C ILE A 76 -14.188 -3.213 -3.215 1.00 0.00 C ATOM 1202 O ILE A 76 -14.171 -3.445 -2.005 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.838 -1.094 -3.089 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.254 -0.041 -4.039 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.776 -2.117 -2.698 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.305 -0.607 -5.076 1.00 0.00 C ATOM 0 H ILE A 76 -15.589 -1.023 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.903 -1.820 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.172 -0.595 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.072 0.467 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.728 0.712 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.928 -1.605 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.198 -2.826 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.441 -2.652 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.935 0.199 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.466 -1.090 -4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.831 -1.338 -5.690 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.344 -4.162 -4.130 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.462 -5.565 -3.753 1.00 0.00 C ATOM 1220 C GLU A 77 -13.083 -6.141 -3.467 1.00 0.00 C ATOM 1221 O GLU A 77 -12.184 -6.079 -4.304 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.173 -6.375 -4.846 1.00 0.00 C ATOM 1223 CG GLU A 77 -14.425 -6.430 -6.168 1.00 0.00 C ATOM 1224 CD GLU A 77 -15.139 -7.271 -7.208 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.914 -8.499 -7.235 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.924 -6.701 -7.994 1.00 0.00 O ATOM 0 H GLU A 77 -14.392 -3.987 -5.134 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.067 -5.630 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.327 -7.392 -4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.160 -5.945 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.297 -5.418 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.428 -6.836 -6.000 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.922 -6.699 -2.277 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.653 -7.259 -1.867 1.00 0.00 C ATOM 1235 C VAL A 78 -11.559 -8.735 -2.227 1.00 0.00 C ATOM 1236 O VAL A 78 -11.948 -9.596 -1.438 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.467 -7.093 -0.351 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -10.109 -7.593 0.077 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.659 -5.641 0.056 1.00 0.00 C ATOM 0 H VAL A 78 -13.661 -6.774 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.866 -6.721 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.225 -7.692 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.997 -7.466 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.014 -8.649 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.334 -7.025 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.523 -5.544 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.927 -5.019 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.664 -5.317 -0.214 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.051 -9.032 -3.424 1.00 0.00 N ATOM 1250 CA ASN A 79 -10.912 -10.416 -3.864 1.00 0.00 C ATOM 1251 C ASN A 79 -9.746 -11.109 -3.161 1.00 0.00 C ATOM 1252 O ASN A 79 -9.252 -12.136 -3.628 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.714 -10.470 -5.381 1.00 0.00 C ATOM 1254 CG ASN A 79 -9.339 -9.992 -5.822 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -8.725 -9.115 -5.032 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -8.831 -10.412 -6.861 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.732 -8.337 -4.099 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.828 -10.944 -3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.863 -11.494 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.476 -9.858 -5.863 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.335 -11.084 -7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.906 -10.088 -7.144 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.315 -10.546 -2.037 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.219 -11.131 -1.287 1.00 0.00 C ATOM 1265 C GLY A 80 -8.728 -12.051 -0.199 1.00 0.00 C ATOM 1266 O GLY A 80 -7.999 -12.910 0.299 1.00 0.00 O ATOM 0 H GLY A 80 -9.705 -9.695 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.569 -11.687 -1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.615 -10.339 -0.844 1.00 0.00 H new ATOM 1270 N ASN A 81 -9.991 -11.862 0.165 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.630 -12.670 1.189 1.00 0.00 C ATOM 1272 C ASN A 81 -12.146 -12.678 1.003 1.00 0.00 C ATOM 1273 O ASN A 81 -12.885 -13.124 1.881 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.276 -12.143 2.578 1.00 0.00 C ATOM 1275 CG ASN A 81 -10.975 -10.840 2.896 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.066 -10.833 3.468 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.351 -9.728 2.530 1.00 0.00 N ATOM 0 H ASN A 81 -10.596 -11.148 -0.241 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.264 -13.692 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.545 -12.889 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.198 -11.999 2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.774 -8.820 2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.448 -9.781 2.058 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.603 -12.184 -0.147 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.027 -12.149 -0.430 1.00 0.00 C ATOM 1286 C GLY A 82 -14.761 -11.074 0.346 1.00 0.00 C ATOM 1287 O GLY A 82 -15.984 -11.125 0.474 1.00 0.00 O ATOM 0 H GLY A 82 -12.011 -11.808 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.175 -11.984 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.462 -13.120 -0.194 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.023 -10.098 0.867 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.631 -9.018 1.632 1.00 0.00 C ATOM 1293 C PHE A 83 -15.093 -7.885 0.726 1.00 0.00 C ATOM 1294 O PHE A 83 -14.320 -6.992 0.385 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.648 -8.481 2.676 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.163 -7.287 3.429 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.298 -7.384 4.217 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.508 -6.068 3.349 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.772 -6.287 4.911 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -13.978 -4.968 4.041 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.111 -5.077 4.823 1.00 0.00 C ATOM 0 H PHE A 83 -13.009 -10.034 0.773 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.505 -9.427 2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.415 -9.275 3.386 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.715 -8.213 2.180 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.818 -8.328 4.290 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.621 -5.977 2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.658 -6.375 5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.459 -4.023 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.480 -4.218 5.365 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.359 -7.933 0.335 1.00 0.00 N ATOM 1312 CA ARG A 84 -16.927 -6.899 -0.515 1.00 0.00 C ATOM 1313 C ARG A 84 -17.386 -5.727 0.342 1.00 0.00 C ATOM 1314 O ARG A 84 -18.345 -5.846 1.104 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.101 -7.454 -1.325 1.00 0.00 C ATOM 1316 CG ARG A 84 -18.740 -6.433 -2.252 1.00 0.00 C ATOM 1317 CD ARG A 84 -19.867 -7.046 -3.066 1.00 0.00 C ATOM 1318 NE ARG A 84 -20.508 -6.066 -3.938 1.00 0.00 N ATOM 1319 CZ ARG A 84 -21.350 -6.387 -4.916 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -21.652 -7.658 -5.145 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -21.893 -5.437 -5.665 1.00 0.00 N ATOM 0 H ARG A 84 -17.010 -8.675 0.593 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.162 -6.556 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.755 -8.302 -1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.858 -7.832 -0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.126 -5.599 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.984 -6.027 -2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -19.475 -7.865 -3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -20.610 -7.473 -2.392 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.298 -5.079 -3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -21.238 -8.392 -4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -22.298 -7.901 -5.896 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -21.665 -4.458 -5.491 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -22.539 -5.685 -6.415 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.699 -4.597 0.218 1.00 0.00 N ATOM 1336 CA GLY A 85 -17.063 -3.438 1.012 1.00 0.00 C ATOM 1337 C GLY A 85 -16.495 -2.138 0.481 1.00 0.00 C ATOM 1338 O GLY A 85 -15.337 -2.080 0.068 1.00 0.00 O ATOM 0 H GLY A 85 -15.906 -4.463 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.150 -3.361 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.717 -3.585 2.035 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.318 -1.093 0.493 1.00 0.00 N ATOM 1343 CA GLU A 86 -16.895 0.221 0.027 1.00 0.00 C ATOM 1344 C GLU A 86 -15.899 0.826 1.009 1.00 0.00 C ATOM 1345 O GLU A 86 -16.089 0.747 2.223 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.104 1.146 -0.126 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.197 0.580 -1.017 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.409 1.488 -1.102 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -20.438 2.356 -2.000 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -21.328 1.331 -0.272 1.00 0.00 O ATOM 0 H GLU A 86 -18.283 -1.133 0.821 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.415 0.109 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.521 1.351 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.771 2.100 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.797 0.419 -2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.503 -0.394 -0.636 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.839 1.429 0.484 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.819 2.033 1.331 1.00 0.00 C ATOM 1359 C LEU A 87 -13.181 3.234 0.642 1.00 0.00 C ATOM 1360 O LEU A 87 -13.061 3.265 -0.582 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.750 0.994 1.680 1.00 0.00 C ATOM 1362 CG LEU A 87 -11.875 1.335 2.888 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.726 1.505 4.137 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -10.825 0.253 3.101 1.00 0.00 C ATOM 0 H LEU A 87 -14.664 1.512 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.294 2.381 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.242 0.040 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.105 0.856 0.812 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.367 2.279 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.084 1.747 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.442 2.312 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.262 0.578 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.209 0.508 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.318 -0.703 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.195 0.178 2.215 1.00 0.00 H new ATOM 1376 N SER A 88 -12.772 4.219 1.437 1.00 0.00 N ATOM 1377 CA SER A 88 -12.149 5.426 0.904 1.00 0.00 C ATOM 1378 C SER A 88 -10.836 5.093 0.204 1.00 0.00 C ATOM 1379 O SER A 88 -10.513 3.925 -0.006 1.00 0.00 O ATOM 1380 CB SER A 88 -11.902 6.434 2.028 1.00 0.00 C ATOM 1381 OG SER A 88 -13.115 6.793 2.667 1.00 0.00 O ATOM 0 H SER A 88 -12.861 4.205 2.453 1.00 0.00 H new ATOM 0 HA SER A 88 -12.828 5.867 0.174 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.215 6.007 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.423 7.325 1.623 1.00 0.00 H new ATOM 0 HG SER A 88 -12.930 7.437 3.382 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.083 6.125 -0.155 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.808 5.935 -0.832 1.00 0.00 C ATOM 1389 C ALA A 89 -7.671 5.780 0.167 1.00 0.00 C ATOM 1390 O ALA A 89 -6.594 5.288 -0.171 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.528 7.097 -1.769 1.00 0.00 C ATOM 0 H ALA A 89 -10.333 7.100 0.011 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.873 5.017 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.571 6.940 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.320 7.162 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.492 8.025 -1.198 1.00 0.00 H new ATOM 1397 N ASP A 90 -7.920 6.205 1.397 1.00 0.00 N ATOM 1398 CA ASP A 90 -6.921 6.116 2.449 1.00 0.00 C ATOM 1399 C ASP A 90 -6.928 4.730 3.084 1.00 0.00 C ATOM 1400 O ASP A 90 -5.917 4.032 3.071 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.174 7.184 3.514 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.178 7.112 4.653 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -5.026 7.558 4.464 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.548 6.609 5.733 1.00 0.00 O ATOM 0 H ASP A 90 -8.807 6.615 1.690 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.941 6.287 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.125 8.171 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.183 7.067 3.909 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.074 4.336 3.628 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.207 3.034 4.276 1.00 0.00 C ATOM 1411 C ALA A 91 -8.044 1.891 3.281 1.00 0.00 C ATOM 1412 O ALA A 91 -7.784 0.752 3.672 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.551 2.931 4.982 1.00 0.00 C ATOM 0 H ALA A 91 -8.925 4.899 3.634 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.409 2.948 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.637 1.955 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.626 3.714 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.354 3.050 4.255 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.193 2.193 1.995 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.060 1.180 0.955 1.00 0.00 C ATOM 1421 C ALA A 92 -6.636 1.145 0.424 1.00 0.00 C ATOM 1422 O ALA A 92 -6.099 0.078 0.127 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.044 1.438 -0.175 1.00 0.00 C ATOM 0 H ALA A 92 -8.405 3.129 1.649 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.289 0.208 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.928 0.671 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.061 1.411 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.849 2.418 -0.611 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.031 2.324 0.303 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.667 2.404 -0.177 1.00 0.00 C ATOM 1431 C GLY A 93 -3.731 1.580 0.679 1.00 0.00 C ATOM 1432 O GLY A 93 -2.639 1.214 0.247 1.00 0.00 O ATOM 0 H GLY A 93 -6.461 3.221 0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.622 2.054 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.341 3.444 -0.178 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.170 1.290 1.901 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.377 0.493 2.828 1.00 0.00 C ATOM 1438 C ILE A 94 -3.301 -0.950 2.347 1.00 0.00 C ATOM 1439 O ILE A 94 -2.253 -1.590 2.422 1.00 0.00 O ATOM 1440 CB ILE A 94 -3.972 0.507 4.251 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.573 1.879 4.580 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -2.909 0.131 5.274 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.591 3.024 4.470 1.00 0.00 C ATOM 0 H ILE A 94 -5.070 1.596 2.271 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.382 0.936 2.861 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.772 -0.232 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.411 2.067 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.975 1.855 5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.344 0.145 6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.532 -0.868 5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.088 0.847 5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.093 3.959 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.764 2.862 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.207 3.078 3.451 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.427 -1.449 1.849 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.517 -2.814 1.353 1.00 0.00 C ATOM 1457 C VAL A 95 -3.839 -2.956 -0.006 1.00 0.00 C ATOM 1458 O VAL A 95 -3.328 -4.022 -0.347 1.00 0.00 O ATOM 1459 CB VAL A 95 -5.988 -3.255 1.230 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.083 -4.721 0.836 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.732 -2.998 2.532 1.00 0.00 C ATOM 0 H VAL A 95 -5.297 -0.921 1.779 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.005 -3.452 2.073 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.457 -2.664 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.131 -5.009 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.590 -4.872 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.596 -5.334 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.769 -3.315 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.260 -3.560 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.700 -1.934 2.765 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.833 -1.874 -0.778 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.223 -1.885 -2.104 1.00 0.00 C ATOM 1473 C ALA A 96 -1.705 -1.998 -2.021 1.00 0.00 C ATOM 1474 O ALA A 96 -1.093 -2.795 -2.731 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.617 -0.632 -2.872 1.00 0.00 C ATOM 0 H ALA A 96 -4.243 -0.979 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.593 -2.762 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.156 -0.651 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.701 -0.596 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.276 0.250 -2.329 1.00 0.00 H new ATOM 1481 N THR A 97 -1.101 -1.197 -1.149 1.00 0.00 N ATOM 1482 CA THR A 97 0.347 -1.204 -0.980 1.00 0.00 C ATOM 1483 C THR A 97 0.816 -2.454 -0.239 1.00 0.00 C ATOM 1484 O THR A 97 1.815 -3.066 -0.614 1.00 0.00 O ATOM 1485 CB THR A 97 0.834 0.047 -0.225 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.236 -0.057 0.047 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.071 0.229 1.078 1.00 0.00 C ATOM 0 H THR A 97 -1.592 -0.535 -0.549 1.00 0.00 H new ATOM 0 HA THR A 97 0.778 -1.202 -1.981 1.00 0.00 H new ATOM 0 HB THR A 97 0.651 0.916 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.537 0.744 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.434 1.119 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.992 0.342 0.865 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.223 -0.643 1.713 1.00 0.00 H new ATOM 1495 N LEU A 98 0.092 -2.827 0.815 1.00 0.00 N ATOM 1496 CA LEU A 98 0.441 -4.009 1.599 1.00 0.00 C ATOM 1497 C LEU A 98 0.531 -5.248 0.711 1.00 0.00 C ATOM 1498 O LEU A 98 1.517 -5.984 0.760 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.583 -4.238 2.714 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.418 -3.338 3.941 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.580 -3.530 4.904 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.905 -3.620 4.638 1.00 0.00 C ATOM 0 H LEU A 98 -0.736 -2.330 1.144 1.00 0.00 H new ATOM 0 HA LEU A 98 1.419 -3.834 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.582 -4.089 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.522 -5.278 3.034 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.415 -2.300 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.446 -2.882 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.514 -3.276 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.614 -4.569 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.004 -2.970 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.933 -4.662 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.727 -3.430 3.948 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.501 -5.475 -0.097 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.528 -6.624 -0.996 1.00 0.00 C ATOM 1516 C PHE A 99 0.674 -6.610 -1.935 1.00 0.00 C ATOM 1517 O PHE A 99 1.169 -7.660 -2.343 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.824 -6.637 -1.810 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.897 -7.508 -1.220 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.785 -7.003 -0.284 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.017 -8.833 -1.606 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.771 -7.804 0.257 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.002 -9.639 -1.069 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.881 -9.125 -0.136 1.00 0.00 C ATOM 0 H PHE A 99 -1.328 -4.880 -0.147 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.482 -7.527 -0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.201 -5.618 -1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.605 -6.980 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.705 -5.971 0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.333 -9.241 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.456 -7.399 0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.085 -10.670 -1.379 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.652 -9.753 0.285 1.00 0.00 H new ATOM 1534 N ALA A 100 1.137 -5.411 -2.273 1.00 0.00 N ATOM 1535 CA ALA A 100 2.282 -5.258 -3.160 1.00 0.00 C ATOM 1536 C ALA A 100 3.569 -5.703 -2.473 1.00 0.00 C ATOM 1537 O ALA A 100 4.424 -6.340 -3.087 1.00 0.00 O ATOM 1538 CB ALA A 100 2.401 -3.813 -3.624 1.00 0.00 C ATOM 0 H ALA A 100 0.736 -4.532 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 100 2.125 -5.895 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.261 -3.713 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.496 -3.527 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.532 -3.163 -2.759 1.00 0.00 H new ATOM 1544 N LEU A 101 3.696 -5.359 -1.196 1.00 0.00 N ATOM 1545 CA LEU A 101 4.875 -5.720 -0.415 1.00 0.00 C ATOM 1546 C LEU A 101 5.070 -7.234 -0.377 1.00 0.00 C ATOM 1547 O LEU A 101 6.188 -7.729 -0.518 1.00 0.00 O ATOM 1548 CB LEU A 101 4.748 -5.182 1.013 1.00 0.00 C ATOM 1549 CG LEU A 101 4.552 -3.668 1.126 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.257 -3.274 2.568 1.00 0.00 C ATOM 1551 CD2 LEU A 101 5.777 -2.929 0.610 1.00 0.00 C ATOM 0 H LEU A 101 2.995 -4.829 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 101 5.745 -5.272 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.907 -5.678 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.644 -5.458 1.569 1.00 0.00 H new ATOM 0 HG LEU A 101 3.698 -3.386 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.121 -2.194 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.348 -3.774 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.091 -3.571 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.618 -1.854 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.649 -3.216 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.943 -3.186 -0.436 1.00 0.00 H new ATOM 1563 N GLY A 102 3.974 -7.962 -0.188 1.00 0.00 N ATOM 1564 CA GLY A 102 4.041 -9.412 -0.119 1.00 0.00 C ATOM 1565 C GLY A 102 4.443 -10.065 -1.430 1.00 0.00 C ATOM 1566 O GLY A 102 5.066 -11.127 -1.428 1.00 0.00 O ATOM 0 H GLY A 102 3.037 -7.573 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.755 -9.698 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.069 -9.798 0.187 1.00 0.00 H new ATOM 1570 N GLN A 103 4.092 -9.438 -2.549 1.00 0.00 N ATOM 1571 CA GLN A 103 4.419 -9.991 -3.860 1.00 0.00 C ATOM 1572 C GLN A 103 5.871 -9.710 -4.238 1.00 0.00 C ATOM 1573 O GLN A 103 6.591 -10.609 -4.675 1.00 0.00 O ATOM 1574 CB GLN A 103 3.486 -9.426 -4.933 1.00 0.00 C ATOM 1575 CG GLN A 103 3.727 -10.018 -6.314 1.00 0.00 C ATOM 1576 CD GLN A 103 2.802 -9.449 -7.373 1.00 0.00 C ATOM 1577 OE1 GLN A 103 1.586 -9.097 -6.974 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 3.175 -9.331 -8.540 1.00 0.00 N flip ATOM 0 H GLN A 103 3.585 -8.553 -2.575 1.00 0.00 H new ATOM 0 HA GLN A 103 4.283 -11.071 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.453 -9.613 -4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.613 -8.345 -4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.761 -9.835 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.596 -11.099 -6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.119 -9.614 -8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.541 -8.950 -9.242 1.00 0.00 H new ATOM 1587 N LEU A 104 6.295 -8.462 -4.070 1.00 0.00 N ATOM 1588 CA LEU A 104 7.661 -8.068 -4.400 1.00 0.00 C ATOM 1589 C LEU A 104 8.675 -8.914 -3.637 1.00 0.00 C ATOM 1590 O LEU A 104 9.823 -9.057 -4.061 1.00 0.00 O ATOM 1591 CB LEU A 104 7.877 -6.586 -4.091 1.00 0.00 C ATOM 1592 CG LEU A 104 7.124 -5.617 -5.006 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.334 -4.181 -4.552 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.567 -5.792 -6.451 1.00 0.00 C ATOM 0 H LEU A 104 5.714 -7.706 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 104 7.810 -8.234 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.575 -6.398 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.943 -6.369 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 104 6.060 -5.844 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.791 -3.507 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.965 -4.064 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.397 -3.942 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.021 -5.095 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.636 -5.594 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.362 -6.813 -6.773 1.00 0.00 H new ATOM 1606 N ALA A 105 8.245 -9.472 -2.511 1.00 0.00 N ATOM 1607 CA ALA A 105 9.113 -10.308 -1.692 1.00 0.00 C ATOM 1608 C ALA A 105 9.172 -11.732 -2.237 1.00 0.00 C ATOM 1609 O ALA A 105 10.212 -12.387 -2.178 1.00 0.00 O ATOM 1610 CB ALA A 105 8.631 -10.313 -0.248 1.00 0.00 C ATOM 0 H ALA A 105 7.300 -9.360 -2.145 1.00 0.00 H new ATOM 0 HA ALA A 105 10.119 -9.890 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.288 -10.941 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.644 -9.296 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.615 -10.705 -0.205 1.00 0.00 H new ATOM 1616 N ALA A 106 8.051 -12.201 -2.772 1.00 0.00 N ATOM 1617 CA ALA A 106 7.972 -13.548 -3.326 1.00 0.00 C ATOM 1618 C ALA A 106 8.404 -13.569 -4.788 1.00 0.00 C ATOM 1619 O ALA A 106 8.573 -14.635 -5.380 1.00 0.00 O ATOM 1620 CB ALA A 106 6.560 -14.091 -3.188 1.00 0.00 C ATOM 0 H ALA A 106 7.183 -11.668 -2.834 1.00 0.00 H new ATOM 0 HA ALA A 106 8.655 -14.185 -2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.515 -15.097 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.284 -14.123 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.867 -13.444 -3.725 1.00 0.00 H new ATOM 1626 N GLU A 107 8.582 -12.385 -5.364 1.00 0.00 N ATOM 1627 CA GLU A 107 8.992 -12.266 -6.759 1.00 0.00 C ATOM 1628 C GLU A 107 10.511 -12.322 -6.887 1.00 0.00 C ATOM 1629 O GLU A 107 11.043 -12.934 -7.814 1.00 0.00 O ATOM 1630 CB GLU A 107 8.466 -10.958 -7.354 1.00 0.00 C ATOM 1631 CG GLU A 107 8.721 -10.820 -8.846 1.00 0.00 C ATOM 1632 CD GLU A 107 8.060 -11.919 -9.655 1.00 0.00 C ATOM 1633 OE1 GLU A 107 6.842 -11.817 -9.911 1.00 0.00 O ATOM 1634 OE2 GLU A 107 8.761 -12.882 -10.030 1.00 0.00 O ATOM 0 H GLU A 107 8.449 -11.494 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 107 8.569 -13.106 -7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.394 -10.891 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.932 -10.120 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.352 -9.852 -9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.795 -10.834 -9.030 1.00 0.00 H new ATOM 1641 N ILE A 108 11.203 -11.679 -5.952 1.00 0.00 N ATOM 1642 CA ILE A 108 12.662 -11.654 -5.959 1.00 0.00 C ATOM 1643 C ILE A 108 13.242 -13.001 -5.538 1.00 0.00 C ATOM 1644 O ILE A 108 14.459 -13.190 -5.542 1.00 0.00 O ATOM 1645 CB ILE A 108 13.210 -10.557 -5.028 1.00 0.00 C ATOM 1646 CG1 ILE A 108 12.621 -10.709 -3.622 1.00 0.00 C ATOM 1647 CG2 ILE A 108 12.901 -9.180 -5.596 1.00 0.00 C ATOM 1648 CD1 ILE A 108 13.162 -9.709 -2.622 1.00 0.00 C ATOM 0 H ILE A 108 10.777 -11.168 -5.179 1.00 0.00 H new ATOM 0 HA ILE A 108 12.967 -11.437 -6.983 1.00 0.00 H new ATOM 0 HB ILE A 108 14.293 -10.664 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.538 -10.603 -3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.824 -11.717 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.294 -8.414 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.365 -9.079 -6.577 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.822 -9.059 -5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.699 -9.879 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 108 14.242 -9.829 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.936 -8.698 -2.960 1.00 0.00 H new ATOM 1660 N ALA A 109 12.363 -13.932 -5.177 1.00 0.00 N ATOM 1661 CA ALA A 109 12.785 -15.264 -4.755 1.00 0.00 C ATOM 1662 C ALA A 109 13.739 -15.189 -3.566 1.00 0.00 C ATOM 1663 O ALA A 109 13.862 -14.147 -2.922 1.00 0.00 O ATOM 1664 CB ALA A 109 13.438 -16.004 -5.913 1.00 0.00 C ATOM 0 H ALA A 109 11.353 -13.788 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 109 11.898 -15.815 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 109 13.747 -16.996 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 109 12.725 -16.100 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 109 14.310 -15.447 -6.255 1.00 0.00 H new ATOM 1670 N ASP A 110 14.408 -16.304 -3.280 1.00 0.00 N ATOM 1671 CA ASP A 110 15.354 -16.374 -2.169 1.00 0.00 C ATOM 1672 C ASP A 110 14.661 -16.084 -0.841 1.00 0.00 C ATOM 1673 O ASP A 110 13.441 -15.922 -0.787 1.00 0.00 O ATOM 1674 CB ASP A 110 16.504 -15.388 -2.384 1.00 0.00 C ATOM 1675 CG ASP A 110 17.270 -15.661 -3.665 1.00 0.00 C ATOM 1676 OD1 ASP A 110 18.222 -16.468 -3.625 1.00 0.00 O ATOM 1677 OD2 ASP A 110 16.917 -15.068 -4.705 1.00 0.00 O ATOM 0 H ASP A 110 14.312 -17.174 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 110 15.756 -17.387 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.108 -14.373 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.188 -15.442 -1.537 1.00 0.00 H new ATOM 1682 N THR A 111 15.447 -16.022 0.228 1.00 0.00 N ATOM 1683 CA THR A 111 14.912 -15.753 1.557 1.00 0.00 C ATOM 1684 C THR A 111 15.692 -14.640 2.248 1.00 0.00 C ATOM 1685 O THR A 111 15.468 -14.346 3.422 1.00 0.00 O ATOM 1686 CB THR A 111 14.944 -17.016 2.440 1.00 0.00 C ATOM 1687 OG1 THR A 111 14.391 -16.730 3.730 1.00 0.00 O ATOM 1688 CG2 THR A 111 16.368 -17.531 2.597 1.00 0.00 C ATOM 0 H THR A 111 16.458 -16.155 0.200 1.00 0.00 H new ATOM 0 HA THR A 111 13.877 -15.438 1.425 1.00 0.00 H new ATOM 0 HB THR A 111 14.346 -17.786 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 111 14.461 -15.769 3.910 1.00 0.00 H new ATOM 0 HG21 THR A 111 16.365 -18.423 3.224 1.00 0.00 H new ATOM 0 HG22 THR A 111 16.776 -17.778 1.617 1.00 0.00 H new ATOM 0 HG23 THR A 111 16.984 -16.762 3.063 1.00 0.00 H new ATOM 1696 N ASP A 112 16.608 -14.021 1.510 1.00 0.00 N ATOM 1697 CA ASP A 112 17.423 -12.939 2.050 1.00 0.00 C ATOM 1698 C ASP A 112 16.686 -11.606 1.965 1.00 0.00 C ATOM 1699 O ASP A 112 16.309 -11.028 2.984 1.00 0.00 O ATOM 1700 CB ASP A 112 18.753 -12.850 1.299 1.00 0.00 C ATOM 1701 CG ASP A 112 19.523 -14.155 1.331 1.00 0.00 C ATOM 1702 OD1 ASP A 112 20.207 -14.417 2.342 1.00 0.00 O ATOM 1703 OD2 ASP A 112 19.444 -14.915 0.343 1.00 0.00 O ATOM 0 H ASP A 112 16.804 -14.251 0.536 1.00 0.00 H new ATOM 0 HA ASP A 112 17.621 -13.156 3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 112 18.564 -12.568 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 112 19.363 -12.061 1.738 1.00 0.00 H new ATOM 1708 N ALA A 113 16.484 -11.125 0.743 1.00 0.00 N ATOM 1709 CA ALA A 113 15.791 -9.859 0.523 1.00 0.00 C ATOM 1710 C ALA A 113 14.279 -10.044 0.576 1.00 0.00 C ATOM 1711 O ALA A 113 13.530 -9.080 0.729 1.00 0.00 O ATOM 1712 CB ALA A 113 16.206 -9.254 -0.810 1.00 0.00 C ATOM 0 H ALA A 113 16.790 -11.592 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 113 16.074 -9.175 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 113 15.681 -8.311 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 113 17.281 -9.075 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.953 -9.942 -1.616 1.00 0.00 H new ATOM 1718 N ALA A 114 13.838 -11.292 0.447 1.00 0.00 N ATOM 1719 CA ALA A 114 12.415 -11.610 0.481 1.00 0.00 C ATOM 1720 C ALA A 114 11.864 -11.504 1.897 1.00 0.00 C ATOM 1721 O ALA A 114 10.661 -11.642 2.121 1.00 0.00 O ATOM 1722 CB ALA A 114 12.178 -13.004 -0.072 1.00 0.00 C ATOM 0 H ALA A 114 14.447 -12.100 0.318 1.00 0.00 H new ATOM 0 HA ALA A 114 11.889 -10.886 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.112 -13.231 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.530 -13.051 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.721 -13.732 0.531 1.00 0.00 H new ATOM 1728 N ASP A 115 12.756 -11.262 2.848 1.00 0.00 N ATOM 1729 CA ASP A 115 12.373 -11.135 4.248 1.00 0.00 C ATOM 1730 C ASP A 115 12.845 -9.806 4.822 1.00 0.00 C ATOM 1731 O ASP A 115 12.574 -9.489 5.981 1.00 0.00 O ATOM 1732 CB ASP A 115 12.945 -12.294 5.066 1.00 0.00 C ATOM 1733 CG ASP A 115 12.293 -13.620 4.725 1.00 0.00 C ATOM 1734 OD1 ASP A 115 11.267 -13.954 5.353 1.00 0.00 O ATOM 1735 OD2 ASP A 115 12.807 -14.321 3.830 1.00 0.00 O ATOM 0 H ASP A 115 13.755 -11.149 2.674 1.00 0.00 H new ATOM 0 HA ASP A 115 11.285 -11.167 4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 115 14.018 -12.364 4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.809 -12.088 6.128 1.00 0.00 H new ATOM 1740 N ALA A 116 13.553 -9.029 4.008 1.00 0.00 N ATOM 1741 CA ALA A 116 14.053 -7.730 4.439 1.00 0.00 C ATOM 1742 C ALA A 116 13.009 -6.655 4.183 1.00 0.00 C ATOM 1743 O ALA A 116 12.663 -5.881 5.075 1.00 0.00 O ATOM 1744 CB ALA A 116 15.351 -7.396 3.719 1.00 0.00 C ATOM 0 H ALA A 116 13.793 -9.277 3.048 1.00 0.00 H new ATOM 0 HA ALA A 116 14.255 -7.770 5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.712 -6.423 4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.098 -8.157 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 116 15.174 -7.369 2.644 1.00 0.00 H new ATOM 1750 N LEU A 117 12.511 -6.617 2.952 1.00 0.00 N ATOM 1751 CA LEU A 117 11.492 -5.654 2.565 1.00 0.00 C ATOM 1752 C LEU A 117 10.210 -5.911 3.344 1.00 0.00 C ATOM 1753 O LEU A 117 9.446 -4.990 3.629 1.00 0.00 O ATOM 1754 CB LEU A 117 11.217 -5.763 1.065 1.00 0.00 C ATOM 1755 CG LEU A 117 10.451 -7.019 0.645 1.00 0.00 C ATOM 1756 CD1 LEU A 117 8.952 -6.761 0.661 1.00 0.00 C ATOM 1757 CD2 LEU A 117 10.909 -7.490 -0.724 1.00 0.00 C ATOM 0 H LEU A 117 12.800 -7.246 2.203 1.00 0.00 H new ATOM 0 HA LEU A 117 11.850 -4.650 2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.652 -4.886 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.168 -5.739 0.532 1.00 0.00 H new ATOM 0 HG LEU A 117 10.664 -7.811 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.424 -7.666 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.642 -6.478 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.714 -5.954 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.353 -8.384 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.729 -6.705 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.974 -7.720 -0.692 1.00 0.00 H new ATOM 1769 N ILE A 118 9.983 -7.181 3.672 1.00 0.00 N ATOM 1770 CA ILE A 118 8.801 -7.587 4.418 1.00 0.00 C ATOM 1771 C ILE A 118 8.619 -6.721 5.659 1.00 0.00 C ATOM 1772 O ILE A 118 7.498 -6.500 6.118 1.00 0.00 O ATOM 1773 CB ILE A 118 8.885 -9.075 4.826 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.622 -9.974 3.614 1.00 0.00 C ATOM 1775 CG2 ILE A 118 7.903 -9.386 5.949 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.247 -9.792 3.004 1.00 0.00 C ATOM 0 H ILE A 118 10.609 -7.949 3.429 1.00 0.00 H new ATOM 0 HA ILE A 118 7.939 -7.453 3.765 1.00 0.00 H new ATOM 0 HB ILE A 118 9.892 -9.274 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.376 -9.772 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.742 -11.015 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.981 -10.439 6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.137 -8.771 6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.888 -9.171 5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.136 -10.462 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.485 -10.023 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.130 -8.760 2.672 1.00 0.00 H new ATOM 1788 N ASP A 119 9.732 -6.232 6.192 1.00 0.00 N ATOM 1789 CA ASP A 119 9.707 -5.382 7.375 1.00 0.00 C ATOM 1790 C ASP A 119 8.715 -4.239 7.202 1.00 0.00 C ATOM 1791 O ASP A 119 7.971 -3.905 8.124 1.00 0.00 O ATOM 1792 CB ASP A 119 11.102 -4.818 7.643 1.00 0.00 C ATOM 1793 CG ASP A 119 11.755 -5.442 8.860 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.361 -6.525 8.719 1.00 0.00 O ATOM 1795 OD2 ASP A 119 11.663 -4.847 9.954 1.00 0.00 O ATOM 0 H ASP A 119 10.666 -6.410 5.822 1.00 0.00 H new ATOM 0 HA ASP A 119 9.392 -5.989 8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.732 -4.986 6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.034 -3.739 7.784 1.00 0.00 H new ATOM 1800 N ARG A 120 8.705 -3.648 6.011 1.00 0.00 N ATOM 1801 CA ARG A 120 7.807 -2.537 5.713 1.00 0.00 C ATOM 1802 C ARG A 120 6.350 -2.949 5.891 1.00 0.00 C ATOM 1803 O ARG A 120 5.531 -2.169 6.377 1.00 0.00 O ATOM 1804 CB ARG A 120 8.033 -2.031 4.285 1.00 0.00 C ATOM 1805 CG ARG A 120 9.323 -1.241 4.107 1.00 0.00 C ATOM 1806 CD ARG A 120 10.553 -2.122 4.264 1.00 0.00 C ATOM 1807 NE ARG A 120 11.786 -1.391 3.989 1.00 0.00 N ATOM 1808 CZ ARG A 120 12.983 -1.774 4.423 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.110 -2.878 5.147 1.00 0.00 N ATOM 1810 NH2 ARG A 120 14.057 -1.054 4.129 1.00 0.00 N ATOM 0 H ARG A 120 9.309 -3.920 5.236 1.00 0.00 H new ATOM 0 HA ARG A 120 8.028 -1.732 6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.044 -2.883 3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.191 -1.403 3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.332 -0.777 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.359 -0.434 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.586 -2.521 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.478 -2.974 3.588 1.00 0.00 H new ATOM 0 HE ARG A 120 11.726 -0.538 3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.287 -3.437 5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.030 -3.168 5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.965 -0.206 3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.975 -1.348 4.462 1.00 0.00 H new ATOM 1824 N TYR A 121 6.032 -4.177 5.493 1.00 0.00 N ATOM 1825 CA TYR A 121 4.672 -4.690 5.611 1.00 0.00 C ATOM 1826 C TYR A 121 4.193 -4.630 7.057 1.00 0.00 C ATOM 1827 O TYR A 121 3.157 -4.036 7.353 1.00 0.00 O ATOM 1828 CB TYR A 121 4.599 -6.130 5.096 1.00 0.00 C ATOM 1829 CG TYR A 121 3.192 -6.679 5.012 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.524 -7.110 6.152 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.533 -6.769 3.794 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.239 -7.615 6.079 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.248 -7.273 3.712 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.606 -7.694 4.857 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.673 -8.197 4.779 1.00 0.00 O ATOM 0 H TYR A 121 6.697 -4.835 5.086 1.00 0.00 H new ATOM 0 HA TYR A 121 4.020 -4.062 5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.056 -6.176 4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.190 -6.770 5.751 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.017 -7.049 7.111 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.032 -6.440 2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.734 -7.946 6.974 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.750 -7.337 2.756 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.974 -8.183 3.846 1.00 0.00 H new ATOM 1845 N HIS A 122 4.951 -5.254 7.952 1.00 0.00 N ATOM 1846 CA HIS A 122 4.605 -5.273 9.369 1.00 0.00 C ATOM 1847 C HIS A 122 4.485 -3.857 9.921 1.00 0.00 C ATOM 1848 O HIS A 122 3.621 -3.574 10.750 1.00 0.00 O ATOM 1849 CB HIS A 122 5.653 -6.053 10.163 1.00 0.00 C ATOM 1850 CG HIS A 122 5.759 -7.493 9.767 1.00 0.00 C ATOM 1851 ND1 HIS A 122 6.240 -8.068 8.639 1.00 0.00 N flip ATOM 1852 CD2 HIS A 122 5.345 -8.530 10.577 1.00 0.00 C flip ATOM 1853 CE1 HIS A 122 6.109 -9.426 8.789 1.00 0.00 C flip ATOM 1854 NE2 HIS A 122 5.567 -9.679 9.965 1.00 0.00 N flip ATOM 0 H HIS A 122 5.810 -5.754 7.721 1.00 0.00 H new ATOM 0 HA HIS A 122 3.639 -5.767 9.472 1.00 0.00 H new ATOM 0 HB2 HIS A 122 6.625 -5.577 10.031 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.410 -5.994 11.224 1.00 0.00 H new ATOM 0 HD1 HIS A 122 6.627 -7.583 7.830 1.00 0.00 H new ATOM 0 HD2 HIS A 122 4.908 -8.420 11.558 1.00 0.00 H new ATOM 0 HE1 HIS A 122 6.402 -10.168 8.061 1.00 0.00 H new ATOM 1863 N PHE A 123 5.359 -2.971 9.452 1.00 0.00 N ATOM 1864 CA PHE A 123 5.353 -1.581 9.900 1.00 0.00 C ATOM 1865 C PHE A 123 4.019 -0.905 9.596 1.00 0.00 C ATOM 1866 O PHE A 123 3.358 -0.385 10.495 1.00 0.00 O ATOM 1867 CB PHE A 123 6.491 -0.797 9.238 1.00 0.00 C ATOM 1868 CG PHE A 123 7.864 -1.173 9.725 1.00 0.00 C ATOM 1869 CD1 PHE A 123 8.078 -1.523 11.051 1.00 0.00 C ATOM 1870 CD2 PHE A 123 8.943 -1.169 8.856 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.341 -1.862 11.497 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.208 -1.509 9.296 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.407 -1.855 10.619 1.00 0.00 C ATOM 0 H PHE A 123 6.079 -3.190 8.763 1.00 0.00 H new ATOM 0 HA PHE A 123 5.500 -1.584 10.980 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.445 -0.952 8.160 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.334 0.267 9.414 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.248 -1.530 11.742 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.794 -0.897 7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.494 -2.132 12.531 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.040 -1.504 8.607 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.395 -2.120 10.966 1.00 0.00 H new ATOM 1883 N LEU A 124 3.629 -0.918 8.325 1.00 0.00 N ATOM 1884 CA LEU A 124 2.379 -0.297 7.901 1.00 0.00 C ATOM 1885 C LEU A 124 1.180 -0.965 8.561 1.00 0.00 C ATOM 1886 O LEU A 124 0.274 -0.291 9.050 1.00 0.00 O ATOM 1887 CB LEU A 124 2.239 -0.368 6.379 1.00 0.00 C ATOM 1888 CG LEU A 124 0.900 0.128 5.827 1.00 0.00 C ATOM 1889 CD1 LEU A 124 0.700 1.601 6.151 1.00 0.00 C ATOM 1890 CD2 LEU A 124 0.826 -0.106 4.328 1.00 0.00 C ATOM 0 H LEU A 124 4.161 -1.352 7.571 1.00 0.00 H new ATOM 0 HA LEU A 124 2.404 0.748 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.040 0.218 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.384 -1.401 6.064 1.00 0.00 H new ATOM 0 HG LEU A 124 0.099 -0.437 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.257 1.935 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.709 1.740 7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.504 2.185 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.132 0.252 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.635 0.434 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.922 -1.172 4.121 1.00 0.00 H new ATOM 1902 N ARG A 125 1.176 -2.294 8.553 1.00 0.00 N ATOM 1903 CA ARG A 125 0.093 -3.064 9.156 1.00 0.00 C ATOM 1904 C ARG A 125 -0.302 -2.497 10.517 1.00 0.00 C ATOM 1905 O ARG A 125 -1.483 -2.472 10.868 1.00 0.00 O ATOM 1906 CB ARG A 125 0.503 -4.531 9.305 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.597 -5.416 9.866 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.101 -6.831 10.117 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.168 -7.708 10.592 1.00 0.00 N ATOM 1910 CZ ARG A 125 -1.036 -9.025 10.725 1.00 0.00 C ATOM 1911 NH1 ARG A 125 0.113 -9.614 10.421 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -2.054 -9.754 11.162 1.00 0.00 N ATOM 0 H ARG A 125 1.913 -2.862 8.134 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.770 -2.996 8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.806 -4.916 8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.374 -4.592 9.957 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.969 -4.989 10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.435 -5.441 9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.319 -7.237 9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.704 -6.808 10.852 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.065 -7.287 10.835 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.898 -9.057 10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.211 -10.624 10.524 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.939 -9.305 11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.952 -10.764 11.264 1.00 0.00 H new ATOM 1926 N GLY A 126 0.688 -2.042 11.280 1.00 0.00 N ATOM 1927 CA GLY A 126 0.417 -1.488 12.594 1.00 0.00 C ATOM 1928 C GLY A 126 -0.314 -0.160 12.538 1.00 0.00 C ATOM 1929 O GLY A 126 -1.142 0.133 13.402 1.00 0.00 O ATOM 0 H GLY A 126 1.672 -2.047 11.012 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.177 -2.200 13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.358 -1.356 13.128 1.00 0.00 H new ATOM 1933 N PHE A 127 -0.014 0.646 11.525 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.647 1.951 11.371 1.00 0.00 C ATOM 1935 C PHE A 127 -2.130 1.804 11.049 1.00 0.00 C ATOM 1936 O PHE A 127 -2.937 2.673 11.380 1.00 0.00 O ATOM 1937 CB PHE A 127 0.055 2.747 10.266 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.488 4.134 10.074 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.505 5.039 11.124 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.978 4.536 8.842 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -1.001 6.317 10.949 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.476 5.812 8.661 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.487 6.704 9.716 1.00 0.00 C ATOM 0 H PHE A 127 0.664 0.418 10.798 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.555 2.489 12.314 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.118 2.813 10.499 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.032 2.200 9.327 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.126 4.742 12.091 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.971 3.844 8.013 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.008 7.012 11.776 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.856 6.112 7.696 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.875 7.702 9.576 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.482 0.699 10.402 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.866 0.432 10.037 1.00 0.00 C ATOM 1955 C ALA A 128 -4.743 0.306 11.276 1.00 0.00 C ATOM 1956 O ALA A 128 -5.925 0.646 11.246 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.955 -0.830 9.195 1.00 0.00 C ATOM 0 H ALA A 128 -1.825 -0.028 10.119 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.231 1.274 9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.995 -1.018 8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.366 -0.704 8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.568 -1.675 9.764 1.00 0.00 H new ATOM 1963 N ALA A 129 -4.157 -0.181 12.367 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.890 -0.352 13.616 1.00 0.00 C ATOM 1965 C ALA A 129 -5.314 0.994 14.193 1.00 0.00 C ATOM 1966 O ALA A 129 -6.308 1.086 14.912 1.00 0.00 O ATOM 1967 CB ALA A 129 -4.045 -1.118 14.623 1.00 0.00 C ATOM 0 H ALA A 129 -3.178 -0.464 12.410 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.792 -0.926 13.403 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.605 -1.238 15.551 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.798 -2.099 14.219 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.127 -0.566 14.822 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.553 2.036 13.873 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.869 3.363 14.366 1.00 0.00 C ATOM 1975 C GLY A 130 -6.013 3.998 13.600 1.00 0.00 C ATOM 1976 O GLY A 130 -6.560 5.017 14.017 1.00 0.00 O ATOM 0 H GLY A 130 -3.724 1.985 13.281 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.129 3.304 15.423 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.986 3.997 14.290 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.370 3.387 12.476 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.453 3.886 11.639 1.00 0.00 C ATOM 1982 C HIS A 131 -8.805 3.354 12.115 1.00 0.00 C ATOM 1983 O HIS A 131 -8.890 2.252 12.654 1.00 0.00 O ATOM 1984 CB HIS A 131 -7.217 3.487 10.181 1.00 0.00 C ATOM 1985 CG HIS A 131 -6.248 4.376 9.469 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.534 5.679 9.126 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.986 4.144 9.037 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.493 6.211 8.511 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.539 5.300 8.445 1.00 0.00 N ATOM 0 H HIS A 131 -5.922 2.541 12.123 1.00 0.00 H new ATOM 0 HA HIS A 131 -7.468 4.973 11.716 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.849 2.462 10.148 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -8.169 3.501 9.650 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.434 3.222 9.139 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.432 7.219 8.128 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -3.620 5.433 8.023 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.881 4.139 11.924 1.00 0.00 N ATOM 1999 CA PRO A 132 -11.233 3.743 12.333 1.00 0.00 C ATOM 2000 C PRO A 132 -11.735 2.531 11.556 1.00 0.00 C ATOM 2001 O PRO A 132 -12.475 1.702 12.087 1.00 0.00 O ATOM 2002 CB PRO A 132 -12.094 4.974 12.015 1.00 0.00 C ATOM 2003 CG PRO A 132 -11.128 6.095 11.823 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.868 5.472 11.299 1.00 0.00 C ATOM 0 HA PRO A 132 -11.266 3.451 13.383 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.693 4.814 11.118 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -12.788 5.188 12.828 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -11.520 6.831 11.121 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.944 6.616 12.762 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -9.870 5.409 10.211 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.985 6.044 11.584 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.326 2.434 10.294 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.730 1.322 9.443 1.00 0.00 C ATOM 2014 C GLU A 133 -10.745 0.170 9.562 1.00 0.00 C ATOM 2015 O GLU A 133 -10.726 -0.733 8.725 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.830 1.768 7.985 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.971 2.733 7.725 1.00 0.00 C ATOM 2018 CD GLU A 133 -12.604 4.171 8.036 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -11.891 4.792 7.219 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -13.030 4.677 9.095 1.00 0.00 O ATOM 0 H GLU A 133 -10.715 3.113 9.839 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.711 0.983 9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.892 2.240 7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.956 0.889 7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.274 2.658 6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.831 2.443 8.329 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.924 0.219 10.605 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.928 -0.817 10.854 1.00 0.00 C ATOM 2029 C ALA A 134 -9.504 -2.205 10.607 1.00 0.00 C ATOM 2030 O ALA A 134 -8.862 -3.050 9.987 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.405 -0.710 12.278 1.00 0.00 C ATOM 0 H ALA A 134 -9.929 0.970 11.296 1.00 0.00 H new ATOM 0 HA ALA A 134 -8.102 -0.666 10.159 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.662 -1.488 12.452 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.947 0.268 12.425 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -9.231 -0.833 12.979 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.716 -2.432 11.100 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.383 -3.716 10.930 1.00 0.00 C ATOM 2039 C ALA A 135 -11.449 -4.126 9.461 1.00 0.00 C ATOM 2040 O ALA A 135 -11.174 -5.274 9.117 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.781 -3.665 11.526 1.00 0.00 C ATOM 0 H ALA A 135 -11.257 -1.742 11.621 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.796 -4.468 11.458 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.269 -4.631 11.392 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.715 -3.436 12.590 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.363 -2.892 11.024 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.819 -3.186 8.599 1.00 0.00 N ATOM 2048 CA ALA A 136 -11.922 -3.463 7.170 1.00 0.00 C ATOM 2049 C ALA A 136 -10.548 -3.659 6.536 1.00 0.00 C ATOM 2050 O ALA A 136 -10.375 -4.500 5.657 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.671 -2.339 6.471 1.00 0.00 C ATOM 0 H ALA A 136 -12.052 -2.229 8.863 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.478 -4.393 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.742 -2.557 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.673 -2.253 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.136 -1.400 6.615 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.577 -2.874 6.989 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.218 -2.941 6.460 1.00 0.00 C ATOM 2059 C ILE A 137 -7.529 -4.278 6.743 1.00 0.00 C ATOM 2060 O ILE A 137 -7.024 -4.925 5.826 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.352 -1.805 7.033 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -7.918 -0.447 6.615 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -5.909 -1.952 6.574 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.260 0.725 7.309 1.00 0.00 C ATOM 0 H ILE A 137 -9.706 -2.180 7.725 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.314 -2.836 5.379 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.370 -1.866 8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -7.803 -0.331 5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -8.987 -0.429 6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.311 -1.140 6.988 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.513 -2.907 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.868 -1.914 5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.713 1.654 6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.398 0.634 8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.195 0.733 7.079 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.506 -4.692 8.008 1.00 0.00 N ATOM 2077 CA TYR A 138 -6.839 -5.936 8.387 1.00 0.00 C ATOM 2078 C TYR A 138 -7.515 -7.153 7.763 1.00 0.00 C ATOM 2079 O TYR A 138 -6.845 -8.114 7.387 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.773 -6.073 9.915 1.00 0.00 C ATOM 2081 CG TYR A 138 -7.908 -6.865 10.529 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.091 -6.243 10.901 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -7.791 -8.232 10.742 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.128 -6.960 11.468 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -8.822 -8.958 11.307 1.00 0.00 C ATOM 2086 CZ TYR A 138 -9.989 -8.318 11.669 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.018 -9.036 12.232 1.00 0.00 O ATOM 0 H TYR A 138 -7.938 -4.189 8.783 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.821 -5.893 7.999 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.830 -6.549 10.183 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.764 -5.076 10.355 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.204 -5.180 10.745 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.878 -8.737 10.461 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.042 -6.460 11.752 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.715 -10.021 11.464 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.759 -9.978 12.303 1.00 0.00 H new ATOM 2097 N ARG A 139 -8.839 -7.115 7.653 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.574 -8.228 7.067 1.00 0.00 C ATOM 2099 C ARG A 139 -9.391 -8.245 5.554 1.00 0.00 C ATOM 2100 O ARG A 139 -9.362 -9.306 4.933 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.062 -8.146 7.421 1.00 0.00 C ATOM 2102 CG ARG A 139 -11.790 -6.986 6.765 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.240 -6.919 7.215 1.00 0.00 C ATOM 2104 NE ARG A 139 -13.956 -8.162 6.935 1.00 0.00 N ATOM 2105 CZ ARG A 139 -14.797 -8.738 7.788 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -15.024 -8.189 8.974 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -15.412 -9.865 7.456 1.00 0.00 N ATOM 0 H ARG A 139 -9.419 -6.334 7.959 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.175 -9.155 7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.546 -9.078 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.163 -8.060 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.287 -6.051 7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.748 -7.094 5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.279 -6.711 8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.739 -6.091 6.711 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.801 -8.613 6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -14.553 -7.322 9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -15.670 -8.633 9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.240 -10.291 6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -16.057 -10.306 8.111 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.262 -7.056 4.971 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.069 -6.928 3.533 1.00 0.00 C ATOM 2123 C ALA A 140 -7.749 -7.557 3.109 1.00 0.00 C ATOM 2124 O ALA A 140 -7.641 -8.129 2.024 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.119 -5.466 3.116 1.00 0.00 C ATOM 0 H ALA A 140 -9.288 -6.169 5.474 1.00 0.00 H new ATOM 0 HA ALA A 140 -9.878 -7.459 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -8.973 -5.390 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.089 -5.045 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.331 -4.914 3.629 1.00 0.00 H new ATOM 2131 N ILE A 141 -6.745 -7.446 3.973 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.431 -8.008 3.694 1.00 0.00 C ATOM 2133 C ILE A 141 -5.309 -9.420 4.257 1.00 0.00 C ATOM 2134 O ILE A 141 -4.389 -10.161 3.910 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.305 -7.136 4.282 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.454 -7.031 5.802 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.317 -5.755 3.643 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.299 -6.326 6.479 1.00 0.00 C ATOM 0 H ILE A 141 -6.818 -6.971 4.873 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.326 -8.038 2.610 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.346 -7.606 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.378 -6.500 6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.551 -8.033 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.516 -5.150 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.168 -5.850 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.276 -5.274 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.475 -6.290 7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.375 -6.869 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.214 -5.311 6.091 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.245 -9.783 5.128 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.246 -11.106 5.742 1.00 0.00 C ATOM 2152 C ASP A 142 -6.759 -12.161 4.767 1.00 0.00 C ATOM 2153 O ASP A 142 -7.990 -12.359 4.704 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.106 -11.103 7.009 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.098 -12.444 7.717 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -6.182 -12.679 8.532 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -8.009 -13.258 7.455 1.00 0.00 O ATOM 2158 OXT ASP A 142 -5.923 -12.780 4.075 1.00 0.00 O ATOM 0 H ASP A 142 -7.012 -9.180 5.424 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.219 -11.355 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -6.742 -10.334 7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.131 -10.839 6.748 1.00 0.00 H new TER 2163 ASP A 142