USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 862 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 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 86 MET CE :methyl 165:sc= -1.89 (180deg=0) USER MOD Set 1.3: A 88 THR OG1 : rot 57:sc= 0.448 USER MOD Set 1.4: A 93 SER OG : rot -138:sc= -2.95 USER MOD Set 2.1: A 76 LYS NZ :NH3+ -117:sc= 0.796 (180deg=-0.143) USER MOD Set 2.2: A 79 THR OG1 : rot 65:sc= 1.93 USER MOD Set 3.1: A 51 LYS NZ :NH3+ -167:sc= 1.45 (180deg=0.0602) USER MOD Set 3.2: A 60 TYR OH : rot 15:sc= 0.923 USER MOD Set 4.1: A 41 THR OG1 : rot 180:sc= 0.723 USER MOD Set 4.2: A 43 SER OG : rot 108:sc= 0.813 USER MOD Set 5.1: A 21 SER OG : rot -90:sc= 0.11 USER MOD Set 5.2: A 22 HIS : no HD1:sc= 0.043 K(o=0.15,f=-1.4) USER MOD Set 6.1: A 10 MET CE :methyl -109:sc= -0.721 (180deg=-1.4) USER MOD Set 6.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -170:sc= -1.93 (180deg=-2.37!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.847 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0217 K(o=-0.022,f=-1.5) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-2.2) USER MOD Single : A 38 GLN : amide:sc= 0.0701 X(o=0.07,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 123:sc= -0.411 USER MOD Single : A 47 THR OG1 : rot 86:sc= 0.119 USER MOD Single : A 52 THR OG1 : rot 113:sc= -0.19 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 57 ASN : amide:sc= -0.221 K(o=-0.22,f=-4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc=-0.00326 (180deg=-0.112) USER MOD Single : A 61 LYS NZ :NH3+ -152:sc= 0.44 (180deg=-0.532) USER MOD Single : A 62 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.041) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 66 THR OG1 : rot 34:sc= 1.15 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 69 SER OG : rot 180:sc= -0.688 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.03! C(o=-2!,f=-3!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0999 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -40:sc= -0.137 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 97 SER OG : rot -88:sc= -0.568 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.0856 X(o=-0.086,f=-0.0015) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -171:sc= 1.06 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.745 -12.034 18.614 1.00 0.00 N ATOM 2 CA GLY A 1 2.772 -12.129 17.593 1.00 0.00 C ATOM 3 C GLY A 1 3.867 -11.096 17.774 1.00 0.00 C ATOM 4 O GLY A 1 5.031 -11.444 17.974 1.00 0.00 O ATOM 0 H1 GLY A 1 1.020 -12.761 18.446 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.172 -12.181 19.551 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.306 -11.092 18.578 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.211 -13.127 17.615 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.316 -12.003 16.611 1.00 0.00 H new ATOM 8 N SER A 2 3.494 -9.822 17.703 1.00 0.00 N ATOM 9 CA SER A 2 4.455 -8.735 17.855 1.00 0.00 C ATOM 10 C SER A 2 4.600 -8.341 19.322 1.00 0.00 C ATOM 11 O SER A 2 3.728 -7.683 19.889 1.00 0.00 O ATOM 12 CB SER A 2 4.020 -7.523 17.030 1.00 0.00 C ATOM 13 OG SER A 2 4.320 -7.706 15.657 1.00 0.00 O ATOM 0 H SER A 2 2.534 -9.517 17.541 1.00 0.00 H new ATOM 0 HA SER A 2 5.422 -9.083 17.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.949 -7.361 17.153 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.522 -6.629 17.399 1.00 0.00 H new ATOM 0 HG SER A 2 4.031 -6.918 15.151 1.00 0.00 H new ATOM 19 N SER A 3 5.710 -8.748 19.930 1.00 0.00 N ATOM 20 CA SER A 3 5.970 -8.441 21.332 1.00 0.00 C ATOM 21 C SER A 3 6.699 -7.108 21.470 1.00 0.00 C ATOM 22 O SER A 3 6.217 -6.190 22.133 1.00 0.00 O ATOM 23 CB SER A 3 6.796 -9.556 21.975 1.00 0.00 C ATOM 24 OG SER A 3 6.680 -9.527 23.387 1.00 0.00 O ATOM 0 H SER A 3 6.443 -9.291 19.474 1.00 0.00 H new ATOM 0 HA SER A 3 5.012 -8.366 21.846 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.462 -10.523 21.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.843 -9.448 21.691 1.00 0.00 H new ATOM 0 HG SER A 3 7.216 -10.251 23.774 1.00 0.00 H new ATOM 30 N GLY A 4 7.865 -7.010 20.839 1.00 0.00 N ATOM 31 CA GLY A 4 8.643 -5.787 20.903 1.00 0.00 C ATOM 32 C GLY A 4 10.131 -6.052 21.020 1.00 0.00 C ATOM 33 O GLY A 4 10.587 -6.649 21.995 1.00 0.00 O ATOM 0 H GLY A 4 8.285 -7.756 20.284 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.452 -5.192 20.010 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.314 -5.195 21.757 1.00 0.00 H new ATOM 37 N SER A 5 10.890 -5.607 20.023 1.00 0.00 N ATOM 38 CA SER A 5 12.335 -5.804 20.016 1.00 0.00 C ATOM 39 C SER A 5 12.988 -4.993 18.901 1.00 0.00 C ATOM 40 O SER A 5 12.715 -5.209 17.720 1.00 0.00 O ATOM 41 CB SER A 5 12.667 -7.288 19.846 1.00 0.00 C ATOM 42 OG SER A 5 14.067 -7.489 19.748 1.00 0.00 O ATOM 0 H SER A 5 10.528 -5.108 19.210 1.00 0.00 H new ATOM 0 HA SER A 5 12.730 -5.458 20.971 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.274 -7.851 20.692 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.177 -7.673 18.952 1.00 0.00 H new ATOM 0 HG SER A 5 14.254 -8.445 19.642 1.00 0.00 H new ATOM 48 N SER A 6 13.852 -4.060 19.286 1.00 0.00 N ATOM 49 CA SER A 6 14.543 -3.213 18.320 1.00 0.00 C ATOM 50 C SER A 6 15.405 -4.051 17.381 1.00 0.00 C ATOM 51 O SER A 6 16.282 -4.792 17.822 1.00 0.00 O ATOM 52 CB SER A 6 15.411 -2.181 19.043 1.00 0.00 C ATOM 53 OG SER A 6 16.243 -1.486 18.131 1.00 0.00 O ATOM 0 H SER A 6 14.091 -3.871 20.260 1.00 0.00 H new ATOM 0 HA SER A 6 13.791 -2.693 17.727 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.774 -1.472 19.572 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.025 -2.679 19.793 1.00 0.00 H new ATOM 0 HG SER A 6 16.786 -0.831 18.617 1.00 0.00 H new ATOM 59 N GLY A 7 15.147 -3.927 16.083 1.00 0.00 N ATOM 60 CA GLY A 7 15.907 -4.679 15.101 1.00 0.00 C ATOM 61 C GLY A 7 15.652 -4.205 13.684 1.00 0.00 C ATOM 62 O GLY A 7 16.447 -3.469 13.100 1.00 0.00 O ATOM 0 H GLY A 7 14.426 -3.320 15.694 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.970 -4.592 15.324 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.651 -5.736 15.179 1.00 0.00 H new ATOM 66 N PRO A 8 14.519 -4.633 13.107 1.00 0.00 N ATOM 67 CA PRO A 8 14.135 -4.260 11.742 1.00 0.00 C ATOM 68 C PRO A 8 13.753 -2.789 11.628 1.00 0.00 C ATOM 69 O PRO A 8 13.846 -2.037 12.598 1.00 0.00 O ATOM 70 CB PRO A 8 12.923 -5.151 11.459 1.00 0.00 C ATOM 71 CG PRO A 8 12.354 -5.454 12.802 1.00 0.00 C ATOM 72 CD PRO A 8 13.524 -5.512 13.744 1.00 0.00 C ATOM 0 HA PRO A 8 14.955 -4.395 11.037 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.196 -4.641 10.827 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.215 -6.063 10.938 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.645 -4.685 13.108 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.814 -6.401 12.792 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.256 -5.160 14.740 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.900 -6.529 13.856 1.00 0.00 H new ATOM 80 N MET A 9 13.323 -2.384 10.438 1.00 0.00 N ATOM 81 CA MET A 9 12.925 -1.002 10.198 1.00 0.00 C ATOM 82 C MET A 9 11.436 -0.810 10.469 1.00 0.00 C ATOM 83 O MET A 9 10.655 -1.757 10.391 1.00 0.00 O ATOM 84 CB MET A 9 13.250 -0.597 8.759 1.00 0.00 C ATOM 85 CG MET A 9 14.701 -0.833 8.374 1.00 0.00 C ATOM 86 SD MET A 9 15.266 0.284 7.076 1.00 0.00 S ATOM 87 CE MET A 9 14.017 0.004 5.823 1.00 0.00 C ATOM 0 H MET A 9 13.241 -2.994 9.624 1.00 0.00 H new ATOM 0 HA MET A 9 13.486 -0.365 10.882 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.607 -1.156 8.079 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.014 0.459 8.625 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.331 -0.709 9.255 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.821 -1.863 8.039 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.321 0.485 4.893 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.902 -1.067 5.657 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.068 0.424 6.155 1.00 0.00 H new ATOM 97 N MET A 10 11.051 0.421 10.788 1.00 0.00 N ATOM 98 CA MET A 10 9.656 0.737 11.070 1.00 0.00 C ATOM 99 C MET A 10 8.854 0.858 9.778 1.00 0.00 C ATOM 100 O MET A 10 9.185 1.640 8.885 1.00 0.00 O ATOM 101 CB MET A 10 9.555 2.036 11.870 1.00 0.00 C ATOM 102 CG MET A 10 9.940 1.881 13.333 1.00 0.00 C ATOM 103 SD MET A 10 11.600 1.210 13.547 1.00 0.00 S ATOM 104 CE MET A 10 12.588 2.511 12.813 1.00 0.00 C ATOM 0 H MET A 10 11.686 1.216 10.858 1.00 0.00 H new ATOM 0 HA MET A 10 9.238 -0.078 11.662 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.199 2.787 11.411 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.534 2.412 11.809 1.00 0.00 H new ATOM 0 HG2 MET A 10 9.878 2.851 13.826 1.00 0.00 H new ATOM 0 HG3 MET A 10 9.221 1.227 13.826 1.00 0.00 H new ATOM 0 HE1 MET A 10 13.001 2.164 11.866 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.964 3.387 12.637 1.00 0.00 H new ATOM 0 HE3 MET A 10 13.402 2.775 13.489 1.00 0.00 H new ATOM 114 N PRO A 11 7.775 0.068 9.672 1.00 0.00 N ATOM 115 CA PRO A 11 6.905 0.070 8.493 1.00 0.00 C ATOM 116 C PRO A 11 6.096 1.357 8.371 1.00 0.00 C ATOM 117 O PRO A 11 5.930 2.107 9.333 1.00 0.00 O ATOM 118 CB PRO A 11 5.978 -1.124 8.734 1.00 0.00 C ATOM 119 CG PRO A 11 5.957 -1.294 10.214 1.00 0.00 C ATOM 120 CD PRO A 11 7.322 -0.887 10.697 1.00 0.00 C ATOM 0 HA PRO A 11 7.475 0.004 7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.978 -0.934 8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.350 -2.020 8.238 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.182 -0.675 10.667 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.739 -2.327 10.485 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.278 -0.427 11.684 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.993 -1.743 10.774 1.00 0.00 H new ATOM 128 N PRO A 12 5.580 1.620 7.162 1.00 0.00 N ATOM 129 CA PRO A 12 4.778 2.816 6.886 1.00 0.00 C ATOM 130 C PRO A 12 3.414 2.769 7.566 1.00 0.00 C ATOM 131 O PRO A 12 2.609 1.876 7.303 1.00 0.00 O ATOM 132 CB PRO A 12 4.618 2.793 5.364 1.00 0.00 C ATOM 133 CG PRO A 12 4.761 1.359 4.990 1.00 0.00 C ATOM 134 CD PRO A 12 5.739 0.770 5.970 1.00 0.00 C ATOM 0 HA PRO A 12 5.253 3.721 7.264 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.647 3.186 5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.376 3.407 4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.801 0.845 5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.124 1.257 3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.511 -0.274 6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.759 0.801 5.588 1.00 0.00 H new ATOM 142 N VAL A 13 3.161 3.737 8.442 1.00 0.00 N ATOM 143 CA VAL A 13 1.893 3.807 9.159 1.00 0.00 C ATOM 144 C VAL A 13 0.958 4.828 8.522 1.00 0.00 C ATOM 145 O VAL A 13 1.270 5.409 7.484 1.00 0.00 O ATOM 146 CB VAL A 13 2.105 4.174 10.639 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.007 3.155 11.318 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.683 5.576 10.763 1.00 0.00 C ATOM 0 H VAL A 13 3.817 4.483 8.672 1.00 0.00 H new ATOM 0 HA VAL A 13 1.440 2.817 9.100 1.00 0.00 H new ATOM 0 HB VAL A 13 1.138 4.159 11.141 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.145 3.431 12.363 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.548 2.168 11.261 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.975 3.135 10.817 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.826 5.819 11.816 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.642 5.621 10.246 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.996 6.294 10.316 1.00 0.00 H new ATOM 158 N GLY A 14 -0.193 5.043 9.153 1.00 0.00 N ATOM 159 CA GLY A 14 -1.157 5.995 8.634 1.00 0.00 C ATOM 160 C GLY A 14 -1.730 5.569 7.297 1.00 0.00 C ATOM 161 O GLY A 14 -2.475 6.319 6.665 1.00 0.00 O ATOM 0 H GLY A 14 -0.474 4.575 10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.968 6.114 9.352 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.680 6.969 8.528 1.00 0.00 H new ATOM 165 N VAL A 15 -1.382 4.362 6.863 1.00 0.00 N ATOM 166 CA VAL A 15 -1.867 3.838 5.591 1.00 0.00 C ATOM 167 C VAL A 15 -3.371 4.038 5.451 1.00 0.00 C ATOM 168 O VAL A 15 -4.162 3.323 6.066 1.00 0.00 O ATOM 169 CB VAL A 15 -1.543 2.339 5.442 1.00 0.00 C ATOM 170 CG1 VAL A 15 -2.011 1.823 4.090 1.00 0.00 C ATOM 171 CG2 VAL A 15 -0.054 2.095 5.629 1.00 0.00 C ATOM 0 H VAL A 15 -0.766 3.729 7.373 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.356 4.393 4.805 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.078 1.791 6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.774 0.763 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.088 1.962 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.507 2.374 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.157 1.031 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.503 2.654 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.247 2.425 6.623 1.00 0.00 H new ATOM 181 N GLN A 16 -3.760 5.016 4.639 1.00 0.00 N ATOM 182 CA GLN A 16 -5.171 5.310 4.419 1.00 0.00 C ATOM 183 C GLN A 16 -5.573 5.002 2.980 1.00 0.00 C ATOM 184 O GLN A 16 -4.783 5.180 2.053 1.00 0.00 O ATOM 185 CB GLN A 16 -5.463 6.777 4.740 1.00 0.00 C ATOM 186 CG GLN A 16 -5.599 7.059 6.228 1.00 0.00 C ATOM 187 CD GLN A 16 -5.641 8.542 6.539 1.00 0.00 C ATOM 188 OE1 GLN A 16 -6.666 9.068 6.974 1.00 0.00 O ATOM 189 NE2 GLN A 16 -4.524 9.226 6.318 1.00 0.00 N ATOM 0 H GLN A 16 -3.118 5.618 4.123 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.757 4.676 5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.663 7.395 4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.383 7.074 4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.508 6.587 6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.762 6.604 6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.697 8.750 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.493 10.227 6.510 1.00 0.00 H new ATOM 198 N ALA A 17 -6.806 4.540 2.802 1.00 0.00 N ATOM 199 CA ALA A 17 -7.314 4.208 1.477 1.00 0.00 C ATOM 200 C ALA A 17 -8.530 5.059 1.126 1.00 0.00 C ATOM 201 O ALA A 17 -9.641 4.787 1.579 1.00 0.00 O ATOM 202 CB ALA A 17 -7.662 2.729 1.399 1.00 0.00 C ATOM 0 H ALA A 17 -7.472 4.387 3.559 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.530 4.424 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.040 2.496 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.770 2.134 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.426 2.495 2.141 1.00 0.00 H new ATOM 208 N SER A 18 -8.311 6.091 0.317 1.00 0.00 N ATOM 209 CA SER A 18 -9.388 6.985 -0.091 1.00 0.00 C ATOM 210 C SER A 18 -9.981 6.547 -1.427 1.00 0.00 C ATOM 211 O SER A 18 -9.261 6.383 -2.413 1.00 0.00 O ATOM 212 CB SER A 18 -8.876 8.422 -0.193 1.00 0.00 C ATOM 213 OG SER A 18 -9.909 9.353 0.078 1.00 0.00 O ATOM 0 H SER A 18 -7.397 6.328 -0.069 1.00 0.00 H new ATOM 0 HA SER A 18 -10.171 6.940 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.056 8.570 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.476 8.599 -1.191 1.00 0.00 H new ATOM 0 HG SER A 18 -9.555 10.264 0.008 1.00 0.00 H new ATOM 219 N ILE A 19 -11.296 6.361 -1.451 1.00 0.00 N ATOM 220 CA ILE A 19 -11.985 5.944 -2.666 1.00 0.00 C ATOM 221 C ILE A 19 -12.403 7.148 -3.503 1.00 0.00 C ATOM 222 O ILE A 19 -13.095 8.045 -3.018 1.00 0.00 O ATOM 223 CB ILE A 19 -13.233 5.100 -2.343 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.911 4.066 -1.263 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.750 4.417 -3.601 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.997 2.959 -1.739 1.00 0.00 C ATOM 0 H ILE A 19 -11.905 6.492 -0.644 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.281 5.336 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.013 5.761 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.447 4.570 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.842 3.628 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.632 3.824 -3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.013 5.171 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.976 3.765 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.812 2.263 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.468 2.429 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.051 3.386 -2.073 1.00 0.00 H new ATOM 238 N LEU A 20 -11.978 7.163 -4.761 1.00 0.00 N ATOM 239 CA LEU A 20 -12.309 8.257 -5.668 1.00 0.00 C ATOM 240 C LEU A 20 -13.220 7.776 -6.792 1.00 0.00 C ATOM 241 O LEU A 20 -14.218 8.421 -7.115 1.00 0.00 O ATOM 242 CB LEU A 20 -11.033 8.864 -6.254 1.00 0.00 C ATOM 243 CG LEU A 20 -9.861 9.027 -5.285 1.00 0.00 C ATOM 244 CD1 LEU A 20 -10.345 9.560 -3.946 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.132 7.703 -5.103 1.00 0.00 C ATOM 0 H LEU A 20 -11.403 6.430 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.839 9.021 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.707 8.240 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.276 9.843 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.162 9.749 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.497 9.669 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.821 10.530 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.065 8.863 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.301 7.837 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.822 6.960 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.751 7.362 -6.066 1.00 0.00 H new ATOM 257 N SER A 21 -12.871 6.638 -7.384 1.00 0.00 N ATOM 258 CA SER A 21 -13.657 6.071 -8.473 1.00 0.00 C ATOM 259 C SER A 21 -13.654 4.546 -8.409 1.00 0.00 C ATOM 260 O SER A 21 -12.995 3.951 -7.556 1.00 0.00 O ATOM 261 CB SER A 21 -13.106 6.536 -9.823 1.00 0.00 C ATOM 262 OG SER A 21 -14.125 6.561 -10.808 1.00 0.00 O ATOM 0 H SER A 21 -12.049 6.091 -7.128 1.00 0.00 H new ATOM 0 HA SER A 21 -14.684 6.420 -8.367 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.672 7.530 -9.719 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.304 5.870 -10.141 1.00 0.00 H new ATOM 0 HG SER A 21 -14.161 5.694 -11.264 1.00 0.00 H new ATOM 268 N HIS A 22 -14.397 3.921 -9.316 1.00 0.00 N ATOM 269 CA HIS A 22 -14.481 2.465 -9.364 1.00 0.00 C ATOM 270 C HIS A 22 -13.106 1.849 -9.605 1.00 0.00 C ATOM 271 O HIS A 22 -12.837 0.724 -9.184 1.00 0.00 O ATOM 272 CB HIS A 22 -15.449 2.025 -10.462 1.00 0.00 C ATOM 273 CG HIS A 22 -14.998 2.393 -11.842 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.912 3.696 -12.283 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.605 1.619 -12.880 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.487 3.708 -13.534 1.00 0.00 C ATOM 277 NE2 HIS A 22 -14.293 2.460 -13.920 1.00 0.00 N ATOM 0 H HIS A 22 -14.950 4.399 -10.028 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.853 2.115 -8.401 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.580 0.944 -10.408 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.425 2.474 -10.276 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.547 0.541 -12.889 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.326 4.589 -14.138 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.965 2.168 -14.841 1.00 0.00 H new ATOM 286 N ASP A 23 -12.241 2.593 -10.284 1.00 0.00 N ATOM 287 CA ASP A 23 -10.893 2.121 -10.581 1.00 0.00 C ATOM 288 C ASP A 23 -9.850 3.147 -10.151 1.00 0.00 C ATOM 289 O ASP A 23 -8.777 3.246 -10.747 1.00 0.00 O ATOM 290 CB ASP A 23 -10.751 1.825 -12.075 1.00 0.00 C ATOM 291 CG ASP A 23 -10.732 3.087 -12.915 1.00 0.00 C ATOM 292 OD1 ASP A 23 -11.539 3.998 -12.636 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.910 3.164 -13.852 1.00 0.00 O ATOM 0 H ASP A 23 -12.449 3.526 -10.640 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.725 1.202 -10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.832 1.264 -12.246 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.576 1.190 -12.397 1.00 0.00 H new ATOM 298 N THR A 24 -10.173 3.912 -9.112 1.00 0.00 N ATOM 299 CA THR A 24 -9.265 4.933 -8.603 1.00 0.00 C ATOM 300 C THR A 24 -9.238 4.934 -7.079 1.00 0.00 C ATOM 301 O THR A 24 -10.274 5.087 -6.431 1.00 0.00 O ATOM 302 CB THR A 24 -9.663 6.336 -9.100 1.00 0.00 C ATOM 303 OG1 THR A 24 -10.104 6.267 -10.461 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.492 7.301 -8.989 1.00 0.00 C ATOM 0 H THR A 24 -11.056 3.844 -8.607 1.00 0.00 H new ATOM 0 HA THR A 24 -8.272 4.690 -8.981 1.00 0.00 H new ATOM 0 HB THR A 24 -10.476 6.703 -8.474 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.357 7.162 -10.769 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.796 8.285 -9.346 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.178 7.373 -7.948 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.662 6.937 -9.594 1.00 0.00 H new ATOM 312 N ILE A 25 -8.048 4.764 -6.513 1.00 0.00 N ATOM 313 CA ILE A 25 -7.887 4.748 -5.065 1.00 0.00 C ATOM 314 C ILE A 25 -6.590 5.433 -4.648 1.00 0.00 C ATOM 315 O ILE A 25 -5.527 5.163 -5.206 1.00 0.00 O ATOM 316 CB ILE A 25 -7.895 3.310 -4.513 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.240 2.638 -4.800 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.606 3.314 -3.020 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.308 1.200 -4.334 1.00 0.00 C ATOM 0 H ILE A 25 -7.181 4.635 -7.035 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.734 5.293 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.112 2.740 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.032 3.207 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.434 2.674 -5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.615 2.291 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.627 3.758 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.369 3.897 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.289 0.787 -4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.538 0.617 -4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.146 1.159 -3.257 1.00 0.00 H new ATOM 331 N ARG A 26 -6.686 6.319 -3.662 1.00 0.00 N ATOM 332 CA ARG A 26 -5.520 7.043 -3.170 1.00 0.00 C ATOM 333 C ARG A 26 -4.915 6.339 -1.958 1.00 0.00 C ATOM 334 O ARG A 26 -5.600 6.095 -0.965 1.00 0.00 O ATOM 335 CB ARG A 26 -5.901 8.478 -2.802 1.00 0.00 C ATOM 336 CG ARG A 26 -4.726 9.442 -2.812 1.00 0.00 C ATOM 337 CD ARG A 26 -5.177 10.871 -2.552 1.00 0.00 C ATOM 338 NE ARG A 26 -5.579 11.550 -3.781 1.00 0.00 N ATOM 339 CZ ARG A 26 -5.585 12.871 -3.924 1.00 0.00 C ATOM 340 NH1 ARG A 26 -5.211 13.651 -2.919 1.00 0.00 N ATOM 341 NH2 ARG A 26 -5.965 13.414 -5.073 1.00 0.00 N ATOM 0 H ARG A 26 -7.559 6.553 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.775 7.065 -3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.658 8.834 -3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.355 8.482 -1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.002 9.144 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.218 9.389 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.012 10.866 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.367 11.426 -2.079 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.871 10.978 -4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.918 13.237 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.216 14.665 -3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.253 12.817 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.969 14.428 -5.181 1.00 0.00 H new ATOM 355 N ILE A 27 -3.629 6.016 -2.049 1.00 0.00 N ATOM 356 CA ILE A 27 -2.933 5.341 -0.961 1.00 0.00 C ATOM 357 C ILE A 27 -1.778 6.189 -0.438 1.00 0.00 C ATOM 358 O ILE A 27 -0.731 6.294 -1.078 1.00 0.00 O ATOM 359 CB ILE A 27 -2.390 3.970 -1.404 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.545 3.011 -1.701 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.476 3.392 -0.334 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.370 2.664 -0.482 1.00 0.00 C ATOM 0 H ILE A 27 -3.049 6.211 -2.865 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.662 5.193 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.810 4.103 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.194 3.459 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.143 2.094 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.100 2.423 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.638 4.069 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.034 3.270 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.170 1.981 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.734 2.187 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.801 3.573 -0.063 1.00 0.00 H new ATOM 374 N THR A 28 -1.975 6.791 0.730 1.00 0.00 N ATOM 375 CA THR A 28 -0.950 7.629 1.340 1.00 0.00 C ATOM 376 C THR A 28 -0.568 7.112 2.723 1.00 0.00 C ATOM 377 O THR A 28 -1.423 6.662 3.485 1.00 0.00 O ATOM 378 CB THR A 28 -1.419 9.091 1.463 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.715 9.141 2.068 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.465 9.761 0.097 1.00 0.00 C ATOM 0 H THR A 28 -2.835 6.714 1.273 1.00 0.00 H new ATOM 0 HA THR A 28 -0.079 7.588 0.686 1.00 0.00 H new ATOM 0 HB THR A 28 -0.706 9.627 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.005 10.074 2.144 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.799 10.793 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.470 9.748 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.159 9.223 -0.549 1.00 0.00 H new ATOM 388 N TRP A 29 0.720 7.181 3.039 1.00 0.00 N ATOM 389 CA TRP A 29 1.215 6.720 4.332 1.00 0.00 C ATOM 390 C TRP A 29 2.194 7.724 4.930 1.00 0.00 C ATOM 391 O TRP A 29 2.445 8.780 4.350 1.00 0.00 O ATOM 392 CB TRP A 29 1.890 5.355 4.185 1.00 0.00 C ATOM 393 CG TRP A 29 3.017 5.353 3.197 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.332 5.615 3.454 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.926 5.077 1.795 1.00 0.00 C ATOM 396 NE1 TRP A 29 5.065 5.519 2.295 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.226 5.190 1.264 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.875 4.745 0.937 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.499 4.982 -0.085 1.00 0.00 C ATOM 400 CZ3 TRP A 29 2.147 4.539 -0.402 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.450 4.658 -0.903 1.00 0.00 C ATOM 0 H TRP A 29 1.440 7.551 2.419 1.00 0.00 H new ATOM 0 HA TRP A 29 0.364 6.626 5.007 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.268 5.038 5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.145 4.621 3.878 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.737 5.861 4.425 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.071 5.669 2.216 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.867 4.651 1.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.503 5.073 -0.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.341 4.282 -1.074 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.630 4.491 -1.955 1.00 0.00 H new ATOM 412 N ALA A 30 2.744 7.388 6.092 1.00 0.00 N ATOM 413 CA ALA A 30 3.697 8.260 6.766 1.00 0.00 C ATOM 414 C ALA A 30 4.909 7.474 7.255 1.00 0.00 C ATOM 415 O ALA A 30 4.770 6.400 7.841 1.00 0.00 O ATOM 416 CB ALA A 30 3.026 8.976 7.929 1.00 0.00 C ATOM 0 H ALA A 30 2.546 6.518 6.586 1.00 0.00 H new ATOM 0 HA ALA A 30 4.044 9.003 6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.750 9.624 8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.196 9.576 7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.651 8.241 8.641 1.00 0.00 H new ATOM 422 N ASP A 31 6.097 8.015 7.010 1.00 0.00 N ATOM 423 CA ASP A 31 7.334 7.364 7.426 1.00 0.00 C ATOM 424 C ASP A 31 7.844 7.953 8.738 1.00 0.00 C ATOM 425 O ASP A 31 8.093 9.154 8.835 1.00 0.00 O ATOM 426 CB ASP A 31 8.401 7.507 6.340 1.00 0.00 C ATOM 427 CG ASP A 31 9.732 6.910 6.753 1.00 0.00 C ATOM 428 OD1 ASP A 31 9.958 6.749 7.971 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.547 6.603 5.858 1.00 0.00 O ATOM 0 H ASP A 31 6.230 8.903 6.525 1.00 0.00 H new ATOM 0 HA ASP A 31 7.124 6.306 7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.055 7.020 5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.537 8.563 6.105 1.00 0.00 H new ATOM 434 N ASN A 32 7.996 7.099 9.745 1.00 0.00 N ATOM 435 CA ASN A 32 8.474 7.536 11.051 1.00 0.00 C ATOM 436 C ASN A 32 9.994 7.438 11.135 1.00 0.00 C ATOM 437 O ASN A 32 10.652 8.301 11.716 1.00 0.00 O ATOM 438 CB ASN A 32 7.836 6.694 12.158 1.00 0.00 C ATOM 439 CG ASN A 32 6.371 7.026 12.365 1.00 0.00 C ATOM 440 OD1 ASN A 32 5.845 7.964 11.766 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.704 6.255 13.216 1.00 0.00 N ATOM 0 H ASN A 32 7.795 6.101 9.681 1.00 0.00 H new ATOM 0 HA ASN A 32 8.187 8.579 11.185 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.935 5.637 11.910 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.377 6.854 13.090 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.715 6.430 13.395 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.181 5.488 13.691 1.00 0.00 H new ATOM 448 N SER A 33 10.547 6.380 10.550 1.00 0.00 N ATOM 449 CA SER A 33 11.989 6.166 10.561 1.00 0.00 C ATOM 450 C SER A 33 12.732 7.461 10.246 1.00 0.00 C ATOM 451 O SER A 33 13.621 7.877 10.991 1.00 0.00 O ATOM 452 CB SER A 33 12.374 5.086 9.548 1.00 0.00 C ATOM 453 OG SER A 33 13.636 4.522 9.858 1.00 0.00 O ATOM 0 H SER A 33 10.018 5.657 10.062 1.00 0.00 H new ATOM 0 HA SER A 33 12.275 5.836 11.560 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.615 4.304 9.540 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.400 5.515 8.546 1.00 0.00 H new ATOM 0 HG SER A 33 13.858 3.834 9.197 1.00 0.00 H new ATOM 459 N LEU A 34 12.362 8.094 9.139 1.00 0.00 N ATOM 460 CA LEU A 34 12.992 9.343 8.724 1.00 0.00 C ATOM 461 C LEU A 34 13.133 10.300 9.904 1.00 0.00 C ATOM 462 O LEU A 34 12.343 10.281 10.848 1.00 0.00 O ATOM 463 CB LEU A 34 12.176 10.004 7.612 1.00 0.00 C ATOM 464 CG LEU A 34 12.054 9.214 6.308 1.00 0.00 C ATOM 465 CD1 LEU A 34 10.822 9.652 5.532 1.00 0.00 C ATOM 466 CD2 LEU A 34 13.308 9.383 5.463 1.00 0.00 C ATOM 0 H LEU A 34 11.629 7.763 8.512 1.00 0.00 H new ATOM 0 HA LEU A 34 13.988 9.111 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.173 10.198 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.624 10.972 7.386 1.00 0.00 H new ATOM 0 HG LEU A 34 11.946 8.158 6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.752 9.079 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.931 9.478 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.899 10.713 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.204 8.814 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.448 10.438 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.172 9.018 6.018 1.00 0.00 H new ATOM 478 N PRO A 35 14.163 11.158 9.850 1.00 0.00 N ATOM 479 CA PRO A 35 14.430 12.140 10.904 1.00 0.00 C ATOM 480 C PRO A 35 13.382 13.247 10.945 1.00 0.00 C ATOM 481 O PRO A 35 12.416 13.230 10.182 1.00 0.00 O ATOM 482 CB PRO A 35 15.797 12.712 10.518 1.00 0.00 C ATOM 483 CG PRO A 35 15.890 12.509 9.045 1.00 0.00 C ATOM 484 CD PRO A 35 15.144 11.236 8.755 1.00 0.00 C ATOM 0 HA PRO A 35 14.406 11.689 11.896 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.872 13.768 10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.603 12.197 11.040 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.452 13.349 8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.930 12.433 8.726 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.657 11.269 7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.809 10.373 8.749 1.00 0.00 H new ATOM 492 N LYS A 36 13.579 14.209 11.840 1.00 0.00 N ATOM 493 CA LYS A 36 12.652 15.326 11.980 1.00 0.00 C ATOM 494 C LYS A 36 12.159 15.798 10.616 1.00 0.00 C ATOM 495 O LYS A 36 10.955 15.843 10.361 1.00 0.00 O ATOM 496 CB LYS A 36 13.325 16.485 12.720 1.00 0.00 C ATOM 497 CG LYS A 36 12.343 17.492 13.293 1.00 0.00 C ATOM 498 CD LYS A 36 11.829 17.058 14.655 1.00 0.00 C ATOM 499 CE LYS A 36 12.784 17.465 15.767 1.00 0.00 C ATOM 500 NZ LYS A 36 12.467 16.778 17.049 1.00 0.00 N ATOM 0 H LYS A 36 14.373 14.238 12.480 1.00 0.00 H new ATOM 0 HA LYS A 36 11.794 14.983 12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.935 16.083 13.529 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.001 16.998 12.036 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.827 18.465 13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.504 17.613 12.608 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.850 17.502 14.834 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.695 15.976 14.667 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.807 17.229 15.472 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.734 18.544 15.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.140 17.082 17.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.500 17.023 17.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.539 15.749 16.918 1.00 0.00 H new ATOM 514 N HIS A 37 13.097 16.148 9.741 1.00 0.00 N ATOM 515 CA HIS A 37 12.757 16.615 8.402 1.00 0.00 C ATOM 516 C HIS A 37 12.389 15.444 7.496 1.00 0.00 C ATOM 517 O HIS A 37 13.204 14.554 7.255 1.00 0.00 O ATOM 518 CB HIS A 37 13.927 17.393 7.798 1.00 0.00 C ATOM 519 CG HIS A 37 15.178 16.582 7.658 1.00 0.00 C ATOM 520 ND1 HIS A 37 15.488 15.868 6.520 1.00 0.00 N ATOM 521 CD2 HIS A 37 16.201 16.376 8.520 1.00 0.00 C ATOM 522 CE1 HIS A 37 16.646 15.255 6.689 1.00 0.00 C ATOM 523 NE2 HIS A 37 17.100 15.548 7.894 1.00 0.00 N ATOM 0 H HIS A 37 14.098 16.117 9.935 1.00 0.00 H new ATOM 0 HA HIS A 37 11.894 17.275 8.483 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.635 17.768 6.817 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.135 18.262 8.422 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.293 16.786 9.515 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.138 14.622 5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.976 15.214 8.295 1.00 0.00 H new ATOM 532 N GLN A 38 11.157 15.452 6.998 1.00 0.00 N ATOM 533 CA GLN A 38 10.681 14.389 6.120 1.00 0.00 C ATOM 534 C GLN A 38 11.257 14.545 4.716 1.00 0.00 C ATOM 535 O GLN A 38 10.781 15.360 3.925 1.00 0.00 O ATOM 536 CB GLN A 38 9.153 14.393 6.060 1.00 0.00 C ATOM 537 CG GLN A 38 8.491 14.178 7.412 1.00 0.00 C ATOM 538 CD GLN A 38 8.971 12.917 8.103 1.00 0.00 C ATOM 539 OE1 GLN A 38 9.582 12.975 9.171 1.00 0.00 O ATOM 540 NE2 GLN A 38 8.697 11.768 7.496 1.00 0.00 N ATOM 0 H GLN A 38 10.470 16.182 7.187 1.00 0.00 H new ATOM 0 HA GLN A 38 11.018 13.436 6.529 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.816 15.344 5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.822 13.613 5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.692 15.037 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.410 14.126 7.279 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.188 11.767 6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.995 10.887 7.914 1.00 0.00 H new ATOM 549 N LYS A 39 12.283 13.758 4.412 1.00 0.00 N ATOM 550 CA LYS A 39 12.924 13.807 3.103 1.00 0.00 C ATOM 551 C LYS A 39 13.556 12.463 2.756 1.00 0.00 C ATOM 552 O LYS A 39 14.274 11.876 3.567 1.00 0.00 O ATOM 553 CB LYS A 39 13.989 14.906 3.074 1.00 0.00 C ATOM 554 CG LYS A 39 13.430 16.287 2.778 1.00 0.00 C ATOM 555 CD LYS A 39 14.465 17.174 2.107 1.00 0.00 C ATOM 556 CE LYS A 39 13.922 18.574 1.860 1.00 0.00 C ATOM 557 NZ LYS A 39 14.925 19.448 1.191 1.00 0.00 N ATOM 0 H LYS A 39 12.689 13.078 5.055 1.00 0.00 H new ATOM 0 HA LYS A 39 12.159 14.032 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.501 14.929 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.736 14.656 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.555 16.196 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.097 16.752 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.356 17.233 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.769 16.728 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.025 18.512 1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.626 19.021 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.517 20.393 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.771 19.528 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.189 19.035 0.274 1.00 0.00 H new ATOM 571 N ILE A 40 13.286 11.981 1.547 1.00 0.00 N ATOM 572 CA ILE A 40 13.830 10.708 1.094 1.00 0.00 C ATOM 573 C ILE A 40 15.158 10.904 0.369 1.00 0.00 C ATOM 574 O ILE A 40 15.202 11.451 -0.733 1.00 0.00 O ATOM 575 CB ILE A 40 12.850 9.978 0.156 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.456 9.923 0.784 1.00 0.00 C ATOM 577 CG2 ILE A 40 13.355 8.576 -0.150 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.368 9.538 -0.194 1.00 0.00 C ATOM 0 H ILE A 40 12.694 12.454 0.864 1.00 0.00 H new ATOM 0 HA ILE A 40 13.990 10.100 1.984 1.00 0.00 H new ATOM 0 HB ILE A 40 12.785 10.532 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.465 9.207 1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.220 10.897 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.652 8.073 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.330 8.638 -0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.446 8.011 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.407 9.519 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.332 10.267 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.580 8.550 -0.604 1.00 0.00 H new ATOM 590 N THR A 41 16.240 10.453 0.996 1.00 0.00 N ATOM 591 CA THR A 41 17.569 10.579 0.411 1.00 0.00 C ATOM 592 C THR A 41 17.828 9.475 -0.609 1.00 0.00 C ATOM 593 O THR A 41 18.920 8.910 -0.662 1.00 0.00 O ATOM 594 CB THR A 41 18.665 10.530 1.492 1.00 0.00 C ATOM 595 OG1 THR A 41 18.537 9.332 2.267 1.00 0.00 O ATOM 596 CG2 THR A 41 18.578 11.743 2.406 1.00 0.00 C ATOM 0 H THR A 41 16.222 9.997 1.908 1.00 0.00 H new ATOM 0 HA THR A 41 17.604 11.547 -0.089 1.00 0.00 H new ATOM 0 HB THR A 41 19.635 10.538 0.995 1.00 0.00 H new ATOM 0 HG1 THR A 41 19.239 9.308 2.951 1.00 0.00 H new ATOM 0 HG21 THR A 41 19.362 11.686 3.161 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.706 12.652 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 41 17.604 11.761 2.895 1.00 0.00 H new ATOM 604 N ASP A 42 16.817 9.175 -1.417 1.00 0.00 N ATOM 605 CA ASP A 42 16.936 8.140 -2.437 1.00 0.00 C ATOM 606 C ASP A 42 17.789 6.978 -1.936 1.00 0.00 C ATOM 607 O ASP A 42 18.525 6.359 -2.705 1.00 0.00 O ATOM 608 CB ASP A 42 17.543 8.721 -3.715 1.00 0.00 C ATOM 609 CG ASP A 42 17.704 7.679 -4.805 1.00 0.00 C ATOM 610 OD1 ASP A 42 16.756 6.896 -5.022 1.00 0.00 O ATOM 611 OD2 ASP A 42 18.779 7.646 -5.441 1.00 0.00 O ATOM 0 H ASP A 42 15.906 9.634 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 42 15.937 7.765 -2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.909 9.529 -4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.516 9.157 -3.486 1.00 0.00 H new ATOM 616 N SER A 43 17.686 6.689 -0.643 1.00 0.00 N ATOM 617 CA SER A 43 18.452 5.606 -0.038 1.00 0.00 C ATOM 618 C SER A 43 17.636 4.317 -0.006 1.00 0.00 C ATOM 619 O SER A 43 18.177 3.223 -0.170 1.00 0.00 O ATOM 620 CB SER A 43 18.882 5.986 1.379 1.00 0.00 C ATOM 621 OG SER A 43 19.900 6.972 1.356 1.00 0.00 O ATOM 0 H SER A 43 17.079 7.190 0.006 1.00 0.00 H new ATOM 0 HA SER A 43 19.341 5.439 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.022 6.359 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.241 5.100 1.903 1.00 0.00 H new ATOM 0 HG SER A 43 19.531 7.830 1.653 1.00 0.00 H new ATOM 627 N ARG A 44 16.332 4.454 0.208 1.00 0.00 N ATOM 628 CA ARG A 44 15.441 3.302 0.264 1.00 0.00 C ATOM 629 C ARG A 44 14.249 3.490 -0.670 1.00 0.00 C ATOM 630 O ARG A 44 14.093 4.543 -1.289 1.00 0.00 O ATOM 631 CB ARG A 44 14.950 3.079 1.696 1.00 0.00 C ATOM 632 CG ARG A 44 14.349 4.321 2.334 1.00 0.00 C ATOM 633 CD ARG A 44 12.923 4.556 1.861 1.00 0.00 C ATOM 634 NE ARG A 44 12.873 5.386 0.661 1.00 0.00 N ATOM 635 CZ ARG A 44 11.867 5.364 -0.206 1.00 0.00 C ATOM 636 NH1 ARG A 44 10.833 4.559 -0.007 1.00 0.00 N ATOM 637 NH2 ARG A 44 11.894 6.150 -1.275 1.00 0.00 N ATOM 0 H ARG A 44 15.869 5.352 0.346 1.00 0.00 H new ATOM 0 HA ARG A 44 16.001 2.425 -0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.204 2.284 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.784 2.734 2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.361 4.216 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.962 5.189 2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.446 3.597 1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.352 5.034 2.656 1.00 0.00 H new ATOM 0 HE ARG A 44 13.653 6.017 0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.808 3.954 0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.062 4.545 -0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.688 6.771 -1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.121 6.133 -1.940 1.00 0.00 H new ATOM 651 N TYR A 45 13.414 2.462 -0.769 1.00 0.00 N ATOM 652 CA TYR A 45 12.238 2.513 -1.630 1.00 0.00 C ATOM 653 C TYR A 45 11.026 1.900 -0.934 1.00 0.00 C ATOM 654 O TYR A 45 11.151 1.275 0.119 1.00 0.00 O ATOM 655 CB TYR A 45 12.511 1.779 -2.944 1.00 0.00 C ATOM 656 CG TYR A 45 12.709 0.290 -2.776 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.804 -0.211 -2.083 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.803 -0.617 -3.312 1.00 0.00 C ATOM 659 CE1 TYR A 45 13.991 -1.571 -1.928 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.980 -1.978 -3.161 1.00 0.00 C ATOM 661 CZ TYR A 45 13.075 -2.451 -2.468 1.00 0.00 C ATOM 662 OH TYR A 45 13.256 -3.806 -2.316 1.00 0.00 O ATOM 0 H TYR A 45 13.529 1.583 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 45 12.020 3.559 -1.844 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.679 1.952 -3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.399 2.205 -3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.522 0.475 -1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.945 -0.251 -3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.849 -1.943 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.265 -2.669 -3.583 1.00 0.00 H new ATOM 0 HH TYR A 45 12.522 -4.285 -2.754 1.00 0.00 H new ATOM 672 N TYR A 46 9.854 2.083 -1.532 1.00 0.00 N ATOM 673 CA TYR A 46 8.619 1.550 -0.971 1.00 0.00 C ATOM 674 C TYR A 46 7.949 0.586 -1.945 1.00 0.00 C ATOM 675 O TYR A 46 7.808 0.881 -3.132 1.00 0.00 O ATOM 676 CB TYR A 46 7.659 2.689 -0.622 1.00 0.00 C ATOM 677 CG TYR A 46 7.959 3.350 0.704 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.903 2.627 1.890 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.297 4.695 0.773 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.176 3.226 3.105 1.00 0.00 C ATOM 681 CE2 TYR A 46 8.573 5.302 1.983 1.00 0.00 C ATOM 682 CZ TYR A 46 8.510 4.563 3.146 1.00 0.00 C ATOM 683 OH TYR A 46 8.783 5.165 4.353 1.00 0.00 O ATOM 0 H TYR A 46 9.734 2.596 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 46 8.870 1.003 -0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.699 3.441 -1.410 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.640 2.301 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.642 1.579 1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.345 5.277 -0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.128 2.650 4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.836 6.349 2.018 1.00 0.00 H new ATOM 0 HH TYR A 46 9.677 5.565 4.324 1.00 0.00 H new ATOM 693 N THR A 47 7.536 -0.570 -1.434 1.00 0.00 N ATOM 694 CA THR A 47 6.881 -1.579 -2.257 1.00 0.00 C ATOM 695 C THR A 47 5.452 -1.827 -1.789 1.00 0.00 C ATOM 696 O THR A 47 5.227 -2.376 -0.710 1.00 0.00 O ATOM 697 CB THR A 47 7.655 -2.910 -2.234 1.00 0.00 C ATOM 698 OG1 THR A 47 8.882 -2.776 -2.960 1.00 0.00 O ATOM 699 CG2 THR A 47 6.822 -4.031 -2.839 1.00 0.00 C ATOM 0 H THR A 47 7.644 -0.830 -0.454 1.00 0.00 H new ATOM 0 HA THR A 47 6.864 -1.194 -3.277 1.00 0.00 H new ATOM 0 HB THR A 47 7.873 -3.160 -1.196 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.575 -2.416 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.389 -4.961 -2.812 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.902 -4.150 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.577 -3.785 -3.872 1.00 0.00 H new ATOM 707 N VAL A 48 4.487 -1.419 -2.607 1.00 0.00 N ATOM 708 CA VAL A 48 3.078 -1.599 -2.277 1.00 0.00 C ATOM 709 C VAL A 48 2.528 -2.880 -2.895 1.00 0.00 C ATOM 710 O VAL A 48 2.887 -3.245 -4.015 1.00 0.00 O ATOM 711 CB VAL A 48 2.232 -0.405 -2.759 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.756 -0.650 -2.482 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.701 0.881 -2.097 1.00 0.00 C ATOM 0 H VAL A 48 4.655 -0.962 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 48 3.013 -1.666 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 48 2.362 -0.301 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.174 0.204 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.431 -1.548 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.604 -0.781 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.093 1.714 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.602 0.791 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.745 1.061 -2.352 1.00 0.00 H new ATOM 723 N ARG A 49 1.655 -3.558 -2.159 1.00 0.00 N ATOM 724 CA ARG A 49 1.055 -4.799 -2.634 1.00 0.00 C ATOM 725 C ARG A 49 -0.468 -4.717 -2.596 1.00 0.00 C ATOM 726 O ARG A 49 -1.042 -4.057 -1.730 1.00 0.00 O ATOM 727 CB ARG A 49 1.534 -5.979 -1.786 1.00 0.00 C ATOM 728 CG ARG A 49 1.001 -5.962 -0.362 1.00 0.00 C ATOM 729 CD ARG A 49 0.848 -7.369 0.192 1.00 0.00 C ATOM 730 NE ARG A 49 2.046 -8.176 -0.021 1.00 0.00 N ATOM 731 CZ ARG A 49 2.316 -9.286 0.657 1.00 0.00 C ATOM 732 NH1 ARG A 49 1.476 -9.719 1.587 1.00 0.00 N ATOM 733 NH2 ARG A 49 3.428 -9.965 0.406 1.00 0.00 N ATOM 0 H ARG A 49 1.347 -3.269 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 49 1.367 -4.952 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.230 -6.909 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.624 -5.976 -1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.677 -5.391 0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.037 -5.454 -0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.632 -7.317 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.005 -7.854 -0.283 1.00 0.00 H new ATOM 0 HE ARG A 49 2.713 -7.870 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.620 -9.200 1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.685 -10.572 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.077 -9.635 -0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.634 -10.817 0.927 1.00 0.00 H new ATOM 747 N TRP A 50 -1.115 -5.390 -3.541 1.00 0.00 N ATOM 748 CA TRP A 50 -2.571 -5.392 -3.616 1.00 0.00 C ATOM 749 C TRP A 50 -3.082 -6.682 -4.248 1.00 0.00 C ATOM 750 O TRP A 50 -2.517 -7.173 -5.225 1.00 0.00 O ATOM 751 CB TRP A 50 -3.063 -4.187 -4.420 1.00 0.00 C ATOM 752 CG TRP A 50 -2.669 -4.236 -5.865 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.438 -4.664 -6.909 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.411 -3.844 -6.424 1.00 0.00 C ATOM 755 NE1 TRP A 50 -2.733 -4.563 -8.084 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.487 -4.061 -7.814 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.228 -3.329 -5.887 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.425 -3.782 -8.670 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.825 -3.053 -6.738 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.721 -3.279 -8.117 1.00 0.00 C ATOM 0 H TRP A 50 -0.654 -5.941 -4.265 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.962 -5.327 -2.601 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.149 -4.131 -4.349 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.667 -3.275 -3.973 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.451 -5.028 -6.824 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.081 -4.820 -9.008 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.138 -3.150 -4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.503 -3.956 -9.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.744 -2.656 -6.333 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.562 -3.052 -8.756 1.00 0.00 H new ATOM 771 N LYS A 51 -4.154 -7.228 -3.684 1.00 0.00 N ATOM 772 CA LYS A 51 -4.743 -8.461 -4.193 1.00 0.00 C ATOM 773 C LYS A 51 -6.261 -8.442 -4.043 1.00 0.00 C ATOM 774 O LYS A 51 -6.835 -7.470 -3.550 1.00 0.00 O ATOM 775 CB LYS A 51 -4.162 -9.669 -3.456 1.00 0.00 C ATOM 776 CG LYS A 51 -4.685 -9.827 -2.039 1.00 0.00 C ATOM 777 CD LYS A 51 -4.687 -11.283 -1.605 1.00 0.00 C ATOM 778 CE LYS A 51 -5.445 -11.474 -0.300 1.00 0.00 C ATOM 779 NZ LYS A 51 -4.971 -12.673 0.447 1.00 0.00 N ATOM 0 H LYS A 51 -4.633 -6.836 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.502 -8.539 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.390 -10.573 -4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.076 -9.577 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.068 -9.243 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.697 -9.426 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.141 -11.895 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.661 -11.630 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.325 -10.587 0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.510 -11.574 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.645 -12.897 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.901 -13.482 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.036 -12.478 0.859 1.00 0.00 H new ATOM 793 N THR A 52 -6.907 -9.523 -4.469 1.00 0.00 N ATOM 794 CA THR A 52 -8.358 -9.630 -4.381 1.00 0.00 C ATOM 795 C THR A 52 -8.774 -10.518 -3.214 1.00 0.00 C ATOM 796 O THR A 52 -8.257 -11.622 -3.047 1.00 0.00 O ATOM 797 CB THR A 52 -8.959 -10.196 -5.681 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.481 -11.527 -5.903 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.599 -9.318 -6.870 1.00 0.00 C ATOM 0 H THR A 52 -6.448 -10.337 -4.878 1.00 0.00 H new ATOM 0 HA THR A 52 -8.740 -8.622 -4.221 1.00 0.00 H new ATOM 0 HB THR A 52 -10.044 -10.213 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.223 -12.160 -5.814 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.034 -9.737 -7.777 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.989 -8.313 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.515 -9.274 -6.975 1.00 0.00 H new ATOM 807 N ASN A 53 -9.711 -10.029 -2.409 1.00 0.00 N ATOM 808 CA ASN A 53 -10.197 -10.780 -1.257 1.00 0.00 C ATOM 809 C ASN A 53 -10.805 -12.110 -1.691 1.00 0.00 C ATOM 810 O ASN A 53 -10.808 -13.079 -0.932 1.00 0.00 O ATOM 811 CB ASN A 53 -11.234 -9.959 -0.487 1.00 0.00 C ATOM 812 CG ASN A 53 -11.353 -10.389 0.962 1.00 0.00 C ATOM 813 OD1 ASN A 53 -10.385 -10.329 1.720 1.00 0.00 O ATOM 814 ND2 ASN A 53 -12.544 -10.827 1.353 1.00 0.00 N ATOM 0 H ASN A 53 -10.149 -9.116 -2.533 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.348 -10.985 -0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.962 -8.904 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.205 -10.057 -0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.684 -11.131 2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.318 -10.859 0.690 1.00 0.00 H new ATOM 821 N ILE A 54 -11.318 -12.148 -2.916 1.00 0.00 N ATOM 822 CA ILE A 54 -11.927 -13.359 -3.451 1.00 0.00 C ATOM 823 C ILE A 54 -11.117 -13.912 -4.619 1.00 0.00 C ATOM 824 O ILE A 54 -10.835 -13.217 -5.595 1.00 0.00 O ATOM 825 CB ILE A 54 -13.372 -13.103 -3.920 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.137 -12.299 -2.867 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.077 -14.420 -4.204 1.00 0.00 C ATOM 828 CD1 ILE A 54 -14.041 -12.881 -1.474 1.00 0.00 C ATOM 0 H ILE A 54 -11.324 -11.354 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.940 -14.089 -2.642 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.343 -12.523 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.755 -11.278 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.186 -12.242 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.097 -14.223 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.540 -14.959 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.100 -15.024 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -14.607 -12.259 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.450 -13.891 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.996 -12.912 -1.164 1.00 0.00 H new ATOM 840 N PRO A 55 -10.733 -15.193 -4.518 1.00 0.00 N ATOM 841 CA PRO A 55 -11.063 -16.030 -3.360 1.00 0.00 C ATOM 842 C PRO A 55 -10.309 -15.604 -2.105 1.00 0.00 C ATOM 843 O PRO A 55 -9.484 -14.692 -2.144 1.00 0.00 O ATOM 844 CB PRO A 55 -10.625 -17.430 -3.798 1.00 0.00 C ATOM 845 CG PRO A 55 -9.565 -17.194 -4.818 1.00 0.00 C ATOM 846 CD PRO A 55 -9.949 -15.924 -5.527 1.00 0.00 C ATOM 0 HA PRO A 55 -12.118 -15.962 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.242 -18.007 -2.956 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.459 -17.993 -4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.586 -17.098 -4.349 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.503 -18.028 -5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.072 -15.358 -5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.536 -16.126 -6.423 1.00 0.00 H new ATOM 854 N ALA A 56 -10.598 -16.271 -0.992 1.00 0.00 N ATOM 855 CA ALA A 56 -9.946 -15.963 0.274 1.00 0.00 C ATOM 856 C ALA A 56 -8.479 -15.605 0.063 1.00 0.00 C ATOM 857 O ALA A 56 -8.050 -14.495 0.375 1.00 0.00 O ATOM 858 CB ALA A 56 -10.071 -17.139 1.232 1.00 0.00 C ATOM 0 H ALA A 56 -11.280 -17.028 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.445 -15.098 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.579 -16.895 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.125 -17.348 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.598 -18.018 0.793 1.00 0.00 H new ATOM 864 N ASN A 57 -7.713 -16.553 -0.468 1.00 0.00 N ATOM 865 CA ASN A 57 -6.293 -16.336 -0.719 1.00 0.00 C ATOM 866 C ASN A 57 -5.990 -16.393 -2.214 1.00 0.00 C ATOM 867 O ASN A 57 -6.403 -17.323 -2.908 1.00 0.00 O ATOM 868 CB ASN A 57 -5.458 -17.382 0.022 1.00 0.00 C ATOM 869 CG ASN A 57 -3.975 -17.068 -0.012 1.00 0.00 C ATOM 870 OD1 ASN A 57 -3.560 -16.035 -0.538 1.00 0.00 O ATOM 871 ND2 ASN A 57 -3.168 -17.960 0.551 1.00 0.00 N ATOM 0 H ASN A 57 -8.052 -17.478 -0.732 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.031 -15.344 -0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.790 -17.441 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.629 -18.362 -0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.160 -17.803 0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.556 -18.802 0.975 1.00 0.00 H new ATOM 878 N THR A 58 -5.265 -15.392 -2.704 1.00 0.00 N ATOM 879 CA THR A 58 -4.907 -15.327 -4.115 1.00 0.00 C ATOM 880 C THR A 58 -3.522 -14.720 -4.303 1.00 0.00 C ATOM 881 O THR A 58 -3.007 -14.034 -3.419 1.00 0.00 O ATOM 882 CB THR A 58 -5.931 -14.501 -4.916 1.00 0.00 C ATOM 883 OG1 THR A 58 -5.676 -14.633 -6.319 1.00 0.00 O ATOM 884 CG2 THR A 58 -5.871 -13.033 -4.521 1.00 0.00 C ATOM 0 H THR A 58 -4.914 -14.615 -2.144 1.00 0.00 H new ATOM 0 HA THR A 58 -4.905 -16.351 -4.489 1.00 0.00 H new ATOM 0 HB THR A 58 -6.927 -14.881 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.332 -14.106 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.603 -12.470 -5.100 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.094 -12.933 -3.459 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.873 -12.643 -4.721 1.00 0.00 H new ATOM 892 N LYS A 59 -2.922 -14.974 -5.461 1.00 0.00 N ATOM 893 CA LYS A 59 -1.596 -14.451 -5.767 1.00 0.00 C ATOM 894 C LYS A 59 -1.471 -12.995 -5.328 1.00 0.00 C ATOM 895 O LYS A 59 -2.426 -12.224 -5.421 1.00 0.00 O ATOM 896 CB LYS A 59 -1.312 -14.569 -7.266 1.00 0.00 C ATOM 897 CG LYS A 59 0.155 -14.785 -7.593 1.00 0.00 C ATOM 898 CD LYS A 59 0.525 -14.172 -8.933 1.00 0.00 C ATOM 899 CE LYS A 59 -0.118 -14.926 -10.087 1.00 0.00 C ATOM 900 NZ LYS A 59 0.487 -16.274 -10.274 1.00 0.00 N ATOM 0 H LYS A 59 -3.334 -15.539 -6.204 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.864 -15.042 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.892 -15.398 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.657 -13.663 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.772 -14.346 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.372 -15.853 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.209 -13.129 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.609 -14.179 -9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.187 -15.030 -9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.008 -14.348 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.172 -16.673 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.524 -16.192 -10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.188 -16.899 -9.499 1.00 0.00 H new ATOM 914 N TYR A 60 -0.287 -12.626 -4.852 1.00 0.00 N ATOM 915 CA TYR A 60 -0.037 -11.263 -4.399 1.00 0.00 C ATOM 916 C TYR A 60 0.794 -10.492 -5.420 1.00 0.00 C ATOM 917 O TYR A 60 1.647 -11.062 -6.101 1.00 0.00 O ATOM 918 CB TYR A 60 0.678 -11.276 -3.047 1.00 0.00 C ATOM 919 CG TYR A 60 -0.263 -11.290 -1.864 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.786 -10.108 -1.353 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.628 -12.484 -1.256 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.646 -10.116 -0.272 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.489 -12.502 -0.175 1.00 0.00 C ATOM 924 CZ TYR A 60 -1.994 -11.315 0.314 1.00 0.00 C ATOM 925 OH TYR A 60 -2.851 -11.328 1.391 1.00 0.00 O ATOM 0 H TYR A 60 0.514 -13.252 -4.770 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.999 -10.762 -4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.325 -12.152 -2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.322 -10.399 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.515 -9.167 -1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.232 -13.415 -1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.044 -9.188 0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.765 -13.440 0.284 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.300 -10.460 1.463 1.00 0.00 H new ATOM 935 N LYS A 61 0.540 -9.192 -5.520 1.00 0.00 N ATOM 936 CA LYS A 61 1.265 -8.340 -6.455 1.00 0.00 C ATOM 937 C LYS A 61 2.117 -7.316 -5.711 1.00 0.00 C ATOM 938 O LYS A 61 1.855 -7.004 -4.550 1.00 0.00 O ATOM 939 CB LYS A 61 0.286 -7.623 -7.388 1.00 0.00 C ATOM 940 CG LYS A 61 -0.132 -8.456 -8.587 1.00 0.00 C ATOM 941 CD LYS A 61 -0.485 -7.580 -9.778 1.00 0.00 C ATOM 942 CE LYS A 61 0.729 -7.312 -10.653 1.00 0.00 C ATOM 943 NZ LYS A 61 1.510 -6.137 -10.173 1.00 0.00 N ATOM 0 H LYS A 61 -0.163 -8.705 -4.964 1.00 0.00 H new ATOM 0 HA LYS A 61 1.925 -8.973 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.603 -7.343 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.744 -6.699 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.676 -9.134 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.990 -9.073 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.261 -8.065 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.897 -6.634 -9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.370 -8.194 -10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.406 -7.139 -11.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.002 -5.695 -10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.866 -5.446 -9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.209 -6.449 -9.469 1.00 0.00 H new ATOM 957 N ASN A 62 3.135 -6.796 -6.388 1.00 0.00 N ATOM 958 CA ASN A 62 4.025 -5.807 -5.790 1.00 0.00 C ATOM 959 C ASN A 62 4.458 -4.771 -6.823 1.00 0.00 C ATOM 960 O ASN A 62 4.564 -5.071 -8.012 1.00 0.00 O ATOM 961 CB ASN A 62 5.255 -6.492 -5.192 1.00 0.00 C ATOM 962 CG ASN A 62 5.974 -7.371 -6.197 1.00 0.00 C ATOM 963 OD1 ASN A 62 7.032 -7.007 -6.712 1.00 0.00 O ATOM 964 ND2 ASN A 62 5.402 -8.534 -6.482 1.00 0.00 N ATOM 0 H ASN A 62 3.365 -7.043 -7.351 1.00 0.00 H new ATOM 0 HA ASN A 62 3.480 -5.297 -4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.944 -5.734 -4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.951 -7.096 -4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.839 -9.167 -7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.525 -8.795 -6.031 1.00 0.00 H new ATOM 971 N ALA A 63 4.708 -3.551 -6.360 1.00 0.00 N ATOM 972 CA ALA A 63 5.132 -2.471 -7.243 1.00 0.00 C ATOM 973 C ALA A 63 6.399 -1.802 -6.722 1.00 0.00 C ATOM 974 O ALA A 63 6.913 -2.163 -5.663 1.00 0.00 O ATOM 975 CB ALA A 63 4.017 -1.446 -7.397 1.00 0.00 C ATOM 0 H ALA A 63 4.624 -3.285 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 63 5.354 -2.900 -8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.348 -0.645 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.136 -1.928 -7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.768 -1.030 -6.421 1.00 0.00 H new ATOM 981 N ASN A 64 6.900 -0.826 -7.473 1.00 0.00 N ATOM 982 CA ASN A 64 8.109 -0.108 -7.087 1.00 0.00 C ATOM 983 C ASN A 64 7.938 1.394 -7.292 1.00 0.00 C ATOM 984 O ASN A 64 7.952 1.882 -8.422 1.00 0.00 O ATOM 985 CB ASN A 64 9.306 -0.612 -7.895 1.00 0.00 C ATOM 986 CG ASN A 64 9.946 -1.839 -7.276 1.00 0.00 C ATOM 987 OD1 ASN A 64 9.336 -2.907 -7.215 1.00 0.00 O ATOM 988 ND2 ASN A 64 11.182 -1.692 -6.812 1.00 0.00 N ATOM 0 H ASN A 64 6.487 -0.515 -8.352 1.00 0.00 H new ATOM 0 HA ASN A 64 8.290 -0.294 -6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.983 -0.847 -8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.049 0.182 -7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.664 -2.483 -6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.650 -0.788 -6.884 1.00 0.00 H new ATOM 995 N ALA A 65 7.777 2.122 -6.192 1.00 0.00 N ATOM 996 CA ALA A 65 7.607 3.568 -6.251 1.00 0.00 C ATOM 997 C ALA A 65 8.233 4.245 -5.036 1.00 0.00 C ATOM 998 O ALA A 65 7.791 4.047 -3.904 1.00 0.00 O ATOM 999 CB ALA A 65 6.130 3.922 -6.351 1.00 0.00 C ATOM 0 H ALA A 65 7.761 1.734 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 65 8.119 3.933 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.018 5.005 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.710 3.477 -7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.604 3.537 -5.477 1.00 0.00 H new ATOM 1005 N THR A 66 9.268 5.044 -5.278 1.00 0.00 N ATOM 1006 CA THR A 66 9.957 5.749 -4.204 1.00 0.00 C ATOM 1007 C THR A 66 9.259 7.063 -3.872 1.00 0.00 C ATOM 1008 O THR A 66 9.479 8.079 -4.533 1.00 0.00 O ATOM 1009 CB THR A 66 11.424 6.038 -4.574 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.481 6.905 -5.712 1.00 0.00 O ATOM 1011 CG2 THR A 66 12.171 4.748 -4.875 1.00 0.00 C ATOM 0 H THR A 66 9.647 5.219 -6.209 1.00 0.00 H new ATOM 0 HA THR A 66 9.932 5.098 -3.330 1.00 0.00 H new ATOM 0 HB THR A 66 11.901 6.525 -3.723 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.724 7.527 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.205 4.978 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.152 4.103 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.693 4.237 -5.711 1.00 0.00 H new ATOM 1019 N THR A 67 8.417 7.037 -2.844 1.00 0.00 N ATOM 1020 CA THR A 67 7.687 8.226 -2.424 1.00 0.00 C ATOM 1021 C THR A 67 6.883 7.959 -1.157 1.00 0.00 C ATOM 1022 O THR A 67 6.887 6.846 -0.630 1.00 0.00 O ATOM 1023 CB THR A 67 6.733 8.719 -3.529 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.992 9.854 -3.067 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.772 7.615 -3.946 1.00 0.00 C ATOM 0 H THR A 67 8.224 6.205 -2.287 1.00 0.00 H new ATOM 0 HA THR A 67 8.430 8.998 -2.224 1.00 0.00 H new ATOM 0 HB THR A 67 7.331 9.005 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.389 10.162 -3.776 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.108 7.986 -4.727 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.338 6.764 -4.325 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.181 7.303 -3.085 1.00 0.00 H new ATOM 1033 N LEU A 68 6.194 8.986 -0.672 1.00 0.00 N ATOM 1034 CA LEU A 68 5.383 8.862 0.535 1.00 0.00 C ATOM 1035 C LEU A 68 3.906 8.716 0.186 1.00 0.00 C ATOM 1036 O LEU A 68 3.035 8.926 1.030 1.00 0.00 O ATOM 1037 CB LEU A 68 5.588 10.080 1.438 1.00 0.00 C ATOM 1038 CG LEU A 68 6.847 10.068 2.305 1.00 0.00 C ATOM 1039 CD1 LEU A 68 7.260 11.487 2.666 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.621 9.241 3.562 1.00 0.00 C ATOM 0 H LEU A 68 6.180 9.914 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 68 5.702 7.965 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.611 10.972 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.721 10.172 2.092 1.00 0.00 H new ATOM 0 HG LEU A 68 7.654 9.610 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.158 11.459 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.464 12.050 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.455 11.971 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.528 9.244 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.800 9.669 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.373 8.217 3.284 1.00 0.00 H new ATOM 1052 N SER A 69 3.631 8.352 -1.063 1.00 0.00 N ATOM 1053 CA SER A 69 2.258 8.179 -1.524 1.00 0.00 C ATOM 1054 C SER A 69 2.214 7.331 -2.792 1.00 0.00 C ATOM 1055 O SER A 69 3.213 7.199 -3.499 1.00 0.00 O ATOM 1056 CB SER A 69 1.610 9.540 -1.784 1.00 0.00 C ATOM 1057 OG SER A 69 0.364 9.394 -2.443 1.00 0.00 O ATOM 0 H SER A 69 4.340 8.171 -1.773 1.00 0.00 H new ATOM 0 HA SER A 69 1.700 7.663 -0.743 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.466 10.064 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.276 10.154 -2.391 1.00 0.00 H new ATOM 0 HG SER A 69 -0.031 10.278 -2.596 1.00 0.00 H new ATOM 1063 N TYR A 70 1.049 6.759 -3.072 1.00 0.00 N ATOM 1064 CA TYR A 70 0.874 5.921 -4.253 1.00 0.00 C ATOM 1065 C TYR A 70 -0.564 5.988 -4.759 1.00 0.00 C ATOM 1066 O TYR A 70 -1.502 6.162 -3.980 1.00 0.00 O ATOM 1067 CB TYR A 70 1.247 4.472 -3.936 1.00 0.00 C ATOM 1068 CG TYR A 70 1.421 3.609 -5.165 1.00 0.00 C ATOM 1069 CD1 TYR A 70 0.332 3.266 -5.957 1.00 0.00 C ATOM 1070 CD2 TYR A 70 2.674 3.135 -5.534 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.486 2.477 -7.080 1.00 0.00 C ATOM 1072 CE2 TYR A 70 2.838 2.347 -6.657 1.00 0.00 C ATOM 1073 CZ TYR A 70 1.741 2.021 -7.427 1.00 0.00 C ATOM 1074 OH TYR A 70 1.899 1.235 -8.545 1.00 0.00 O ATOM 0 H TYR A 70 0.212 6.860 -2.498 1.00 0.00 H new ATOM 0 HA TYR A 70 1.534 6.296 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.173 4.461 -3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.474 4.037 -3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.652 3.623 -5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.535 3.387 -4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.372 2.218 -7.683 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.819 1.988 -6.930 1.00 0.00 H new ATOM 0 HH TYR A 70 2.845 1.000 -8.648 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.729 5.848 -6.070 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.052 5.892 -6.683 1.00 0.00 C ATOM 1086 C LEU A 71 -2.322 4.623 -7.485 1.00 0.00 C ATOM 1087 O LEU A 71 -1.719 4.398 -8.535 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.175 7.118 -7.590 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.590 7.660 -7.797 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.385 6.741 -8.713 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.298 7.826 -6.461 1.00 0.00 C ATOM 0 H LEU A 71 0.036 5.703 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.793 5.961 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.559 7.916 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.757 6.867 -8.565 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.518 8.639 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.389 7.143 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.888 6.673 -9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.448 5.749 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.303 8.213 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.359 6.860 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.740 8.524 -5.838 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.235 3.796 -6.985 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.589 2.551 -7.656 1.00 0.00 C ATOM 1105 C VAL A 72 -4.828 2.728 -8.527 1.00 0.00 C ATOM 1106 O VAL A 72 -5.783 3.401 -8.137 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.844 1.420 -6.643 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.911 0.074 -7.349 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.768 1.415 -5.568 1.00 0.00 C ATOM 0 H VAL A 72 -3.743 3.966 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.742 2.280 -8.286 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.806 1.598 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.092 -0.713 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.722 0.085 -8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.967 -0.116 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.964 0.609 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.793 1.263 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.775 2.370 -5.042 1.00 0.00 H new ATOM 1119 N THR A 73 -4.807 2.120 -9.708 1.00 0.00 N ATOM 1120 CA THR A 73 -5.928 2.210 -10.635 1.00 0.00 C ATOM 1121 C THR A 73 -6.107 0.910 -11.410 1.00 0.00 C ATOM 1122 O THR A 73 -5.237 0.040 -11.392 1.00 0.00 O ATOM 1123 CB THR A 73 -5.739 3.367 -11.634 1.00 0.00 C ATOM 1124 OG1 THR A 73 -4.389 3.385 -12.113 1.00 0.00 O ATOM 1125 CG2 THR A 73 -6.069 4.703 -10.984 1.00 0.00 C ATOM 0 H THR A 73 -4.025 1.559 -10.046 1.00 0.00 H new ATOM 0 HA THR A 73 -6.819 2.398 -10.036 1.00 0.00 H new ATOM 0 HB THR A 73 -6.420 3.210 -12.471 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.277 4.122 -12.749 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.928 5.505 -11.709 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.105 4.697 -10.646 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.410 4.865 -10.131 1.00 0.00 H new ATOM 1133 N GLY A 74 -7.243 0.783 -12.090 1.00 0.00 N ATOM 1134 CA GLY A 74 -7.515 -0.415 -12.863 1.00 0.00 C ATOM 1135 C GLY A 74 -7.978 -1.570 -11.997 1.00 0.00 C ATOM 1136 O GLY A 74 -7.579 -2.715 -12.212 1.00 0.00 O ATOM 0 H GLY A 74 -7.979 1.488 -12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.278 -0.196 -13.610 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.615 -0.708 -13.403 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.820 -1.270 -11.014 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.337 -2.293 -10.111 1.00 0.00 C ATOM 1142 C LEU A 75 -10.789 -2.625 -10.439 1.00 0.00 C ATOM 1143 O LEU A 75 -11.431 -1.939 -11.234 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.224 -1.823 -8.660 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.866 -1.259 -8.240 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.019 -0.333 -7.043 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.896 -2.388 -7.923 1.00 0.00 C ATOM 0 H LEU A 75 -9.159 -0.327 -10.822 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.739 -3.195 -10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.981 -1.059 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.464 -2.663 -8.008 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.461 -0.681 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.042 0.059 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.679 0.494 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.445 -0.887 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.935 -1.969 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.295 -2.993 -7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.762 -3.012 -8.807 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.303 -3.683 -9.819 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.680 -4.106 -10.041 1.00 0.00 C ATOM 1161 C LYS A 76 -13.646 -3.279 -9.198 1.00 0.00 C ATOM 1162 O LYS A 76 -13.387 -2.973 -8.034 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.839 -5.591 -9.708 1.00 0.00 C ATOM 1164 CG LYS A 76 -13.956 -6.271 -10.480 1.00 0.00 C ATOM 1165 CD LYS A 76 -13.956 -7.774 -10.254 1.00 0.00 C ATOM 1166 CE LYS A 76 -15.346 -8.364 -10.432 1.00 0.00 C ATOM 1167 NZ LYS A 76 -16.248 -8.011 -9.301 1.00 0.00 N ATOM 0 H LYS A 76 -10.785 -4.263 -9.159 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.917 -3.948 -11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.900 -6.104 -9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.030 -5.697 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.916 -5.856 -10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.844 -6.062 -11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.266 -8.248 -10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.593 -7.992 -9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.777 -8.003 -11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.272 -9.449 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.537 -8.878 -8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.747 -7.384 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.091 -7.525 -9.668 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.787 -2.908 -9.797 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.815 -2.113 -9.119 1.00 0.00 C ATOM 1183 C PRO A 77 -16.530 -2.901 -8.026 1.00 0.00 C ATOM 1184 O PRO A 77 -16.582 -4.129 -8.067 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.789 -1.757 -10.245 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.610 -2.836 -11.256 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.162 -3.236 -11.183 1.00 0.00 C ATOM 0 HA PRO A 77 -15.391 -1.245 -8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.816 -1.720 -9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.565 -0.778 -10.667 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.260 -3.684 -11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.867 -2.482 -12.254 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.027 -4.296 -11.396 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.556 -2.687 -11.904 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.080 -2.185 -7.050 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.792 -2.819 -5.946 1.00 0.00 C ATOM 1197 C ASN A 78 -17.070 -4.082 -5.487 1.00 0.00 C ATOM 1198 O ASN A 78 -17.701 -5.083 -5.148 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.224 -3.159 -6.364 1.00 0.00 C ATOM 1200 CG ASN A 78 -19.277 -3.936 -7.666 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.525 -3.369 -8.730 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -19.043 -5.241 -7.586 1.00 0.00 N ATOM 0 H ASN A 78 -17.046 -1.167 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.821 -2.116 -5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.701 -3.742 -5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.797 -2.238 -6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -19.065 -5.816 -8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -18.842 -5.669 -6.682 1.00 0.00 H new ATOM 1209 N THR A 79 -15.741 -4.027 -5.477 1.00 0.00 N ATOM 1210 CA THR A 79 -14.933 -5.166 -5.059 1.00 0.00 C ATOM 1211 C THR A 79 -13.913 -4.758 -4.003 1.00 0.00 C ATOM 1212 O THR A 79 -13.198 -3.768 -4.165 1.00 0.00 O ATOM 1213 CB THR A 79 -14.194 -5.798 -6.254 1.00 0.00 C ATOM 1214 OG1 THR A 79 -15.139 -6.277 -7.217 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.304 -6.943 -5.795 1.00 0.00 C ATOM 0 H THR A 79 -15.202 -3.206 -5.753 1.00 0.00 H new ATOM 0 HA THR A 79 -15.617 -5.901 -4.634 1.00 0.00 H new ATOM 0 HB THR A 79 -13.567 -5.033 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.636 -5.520 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.792 -7.374 -6.656 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.567 -6.569 -5.085 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.914 -7.708 -5.315 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.849 -5.526 -2.921 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.914 -5.245 -1.837 1.00 0.00 C ATOM 1225 C LEU A 80 -11.494 -5.642 -2.226 1.00 0.00 C ATOM 1226 O LEU A 80 -11.268 -6.721 -2.775 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.335 -5.989 -0.568 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.323 -5.987 0.578 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.976 -4.562 0.981 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -12.865 -6.763 1.769 1.00 0.00 C ATOM 0 H LEU A 80 -14.434 -6.348 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.931 -4.172 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.265 -5.551 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.552 -7.024 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.412 -6.477 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.255 -4.580 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.545 -4.037 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.879 -4.046 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.132 -6.751 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.790 -6.301 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.062 -7.793 1.473 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.539 -4.765 -1.935 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.140 -5.024 -2.254 1.00 0.00 C ATOM 1244 C TYR A 81 -8.248 -4.765 -1.044 1.00 0.00 C ATOM 1245 O TYR A 81 -8.643 -4.074 -0.106 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.693 -4.151 -3.428 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.909 -4.795 -4.779 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -10.163 -4.799 -5.376 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -7.858 -5.400 -5.458 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -10.365 -5.387 -6.610 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -8.050 -5.989 -6.693 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.305 -5.980 -7.264 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.502 -6.566 -8.494 1.00 0.00 O ATOM 0 H TYR A 81 -10.708 -3.869 -1.479 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.046 -6.073 -2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.236 -3.206 -3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.635 -3.915 -3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -10.995 -4.335 -4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.874 -5.410 -5.013 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.347 -5.382 -7.060 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.222 -6.454 -7.208 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.655 -6.937 -8.819 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.043 -5.326 -1.075 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.094 -5.156 0.019 1.00 0.00 C ATOM 1265 C GLU A 82 -4.971 -4.201 -0.377 1.00 0.00 C ATOM 1266 O GLU A 82 -4.532 -4.186 -1.527 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.508 -6.508 0.430 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.367 -7.266 1.428 1.00 0.00 C ATOM 1269 CD GLU A 82 -7.776 -7.506 0.921 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -8.566 -6.539 0.880 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -8.089 -8.661 0.564 1.00 0.00 O ATOM 0 H GLU A 82 -6.701 -5.901 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.629 -4.727 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.373 -7.122 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.519 -6.350 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.897 -8.224 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.411 -6.706 2.362 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.512 -3.406 0.583 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.442 -2.447 0.335 1.00 0.00 C ATOM 1280 C PHE A 83 -2.427 -2.458 1.474 1.00 0.00 C ATOM 1281 O PHE A 83 -2.796 -2.463 2.649 1.00 0.00 O ATOM 1282 CB PHE A 83 -4.018 -1.040 0.163 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.762 -0.851 -1.128 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.136 -1.079 -2.343 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.086 -0.445 -1.127 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -4.818 -0.905 -3.533 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -6.774 -0.269 -2.313 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.139 -0.501 -3.518 1.00 0.00 C ATOM 0 H PHE A 83 -4.864 -3.407 1.540 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.933 -2.738 -0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.689 -0.827 0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.206 -0.315 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.104 -1.396 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.587 -0.264 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.318 -1.085 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.806 0.049 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.674 -0.367 -4.446 1.00 0.00 H new ATOM 1298 N SER A 84 -1.146 -2.462 1.118 1.00 0.00 N ATOM 1299 CA SER A 84 -0.077 -2.476 2.110 1.00 0.00 C ATOM 1300 C SER A 84 1.187 -1.828 1.555 1.00 0.00 C ATOM 1301 O SER A 84 1.428 -1.843 0.348 1.00 0.00 O ATOM 1302 CB SER A 84 0.222 -3.911 2.548 1.00 0.00 C ATOM 1303 OG SER A 84 -0.944 -4.546 3.046 1.00 0.00 O ATOM 0 H SER A 84 -0.823 -2.456 0.150 1.00 0.00 H new ATOM 0 HA SER A 84 -0.409 -1.902 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.616 -4.477 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.994 -3.906 3.317 1.00 0.00 H new ATOM 0 HG SER A 84 -0.727 -5.462 3.318 1.00 0.00 H new ATOM 1309 N VAL A 85 1.993 -1.258 2.446 1.00 0.00 N ATOM 1310 CA VAL A 85 3.234 -0.605 2.048 1.00 0.00 C ATOM 1311 C VAL A 85 4.401 -1.067 2.913 1.00 0.00 C ATOM 1312 O VAL A 85 4.269 -1.201 4.129 1.00 0.00 O ATOM 1313 CB VAL A 85 3.116 0.928 2.140 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.322 1.596 1.499 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.825 1.403 1.490 1.00 0.00 C ATOM 0 H VAL A 85 1.808 -1.236 3.449 1.00 0.00 H new ATOM 0 HA VAL A 85 3.421 -0.886 1.012 1.00 0.00 H new ATOM 0 HB VAL A 85 3.091 1.210 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.221 2.679 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.229 1.280 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.382 1.309 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.758 2.488 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.817 1.110 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.974 0.951 1.999 1.00 0.00 H new ATOM 1325 N MET A 86 5.542 -1.308 2.277 1.00 0.00 N ATOM 1326 CA MET A 86 6.734 -1.754 2.990 1.00 0.00 C ATOM 1327 C MET A 86 7.980 -1.057 2.454 1.00 0.00 C ATOM 1328 O MET A 86 7.982 -0.538 1.338 1.00 0.00 O ATOM 1329 CB MET A 86 6.891 -3.271 2.866 1.00 0.00 C ATOM 1330 CG MET A 86 7.619 -3.705 1.605 1.00 0.00 C ATOM 1331 SD MET A 86 9.408 -3.767 1.822 1.00 0.00 S ATOM 1332 CE MET A 86 9.611 -5.417 2.490 1.00 0.00 C ATOM 0 H MET A 86 5.667 -1.202 1.270 1.00 0.00 H new ATOM 0 HA MET A 86 6.617 -1.493 4.042 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.433 -3.644 3.735 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.904 -3.733 2.883 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.259 -4.689 1.303 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.379 -3.015 0.796 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.660 -5.707 2.430 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.290 -5.430 3.532 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.007 -6.119 1.916 1.00 0.00 H new ATOM 1342 N VAL A 87 9.040 -1.048 3.258 1.00 0.00 N ATOM 1343 CA VAL A 87 10.293 -0.415 2.864 1.00 0.00 C ATOM 1344 C VAL A 87 11.468 -1.371 3.032 1.00 0.00 C ATOM 1345 O VAL A 87 11.479 -2.207 3.936 1.00 0.00 O ATOM 1346 CB VAL A 87 10.560 0.860 3.686 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.280 0.613 5.160 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.990 1.336 3.479 1.00 0.00 C ATOM 0 H VAL A 87 9.055 -1.472 4.186 1.00 0.00 H new ATOM 0 HA VAL A 87 10.195 -0.146 1.812 1.00 0.00 H new ATOM 0 HB VAL A 87 9.886 1.643 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.474 1.525 5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.238 0.322 5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 87 10.927 -0.185 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.162 2.238 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.683 0.557 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.151 1.555 2.423 1.00 0.00 H new ATOM 1358 N THR A 88 12.458 -1.243 2.154 1.00 0.00 N ATOM 1359 CA THR A 88 13.639 -2.096 2.204 1.00 0.00 C ATOM 1360 C THR A 88 14.915 -1.278 2.041 1.00 0.00 C ATOM 1361 O THR A 88 15.013 -0.431 1.153 1.00 0.00 O ATOM 1362 CB THR A 88 13.595 -3.181 1.112 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.354 -3.891 1.177 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.752 -4.155 1.270 1.00 0.00 C ATOM 0 H THR A 88 12.465 -0.557 1.400 1.00 0.00 H new ATOM 0 HA THR A 88 13.641 -2.576 3.183 1.00 0.00 H new ATOM 0 HB THR A 88 13.683 -2.693 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.610 -3.258 1.092 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.700 -4.912 0.488 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.696 -3.615 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.691 -4.637 2.246 1.00 0.00 H new ATOM 1372 N LYS A 89 15.892 -1.537 2.904 1.00 0.00 N ATOM 1373 CA LYS A 89 17.165 -0.826 2.855 1.00 0.00 C ATOM 1374 C LYS A 89 18.301 -1.771 2.477 1.00 0.00 C ATOM 1375 O LYS A 89 19.378 -1.730 3.070 1.00 0.00 O ATOM 1376 CB LYS A 89 17.459 -0.172 4.207 1.00 0.00 C ATOM 1377 CG LYS A 89 18.332 1.067 4.106 1.00 0.00 C ATOM 1378 CD LYS A 89 19.124 1.297 5.382 1.00 0.00 C ATOM 1379 CE LYS A 89 18.344 2.145 6.376 1.00 0.00 C ATOM 1380 NZ LYS A 89 19.247 2.890 7.297 1.00 0.00 N ATOM 0 H LYS A 89 15.827 -2.234 3.646 1.00 0.00 H new ATOM 0 HA LYS A 89 17.092 -0.051 2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.516 0.096 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.949 -0.900 4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.018 0.962 3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.708 1.937 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.372 0.337 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.067 1.789 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.714 2.851 5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.680 1.505 6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.678 3.456 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.831 2.216 7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.863 3.520 6.745 1.00 0.00 H new ATOM 1394 N GLY A 90 18.053 -2.621 1.485 1.00 0.00 N ATOM 1395 CA GLY A 90 19.066 -3.563 1.045 1.00 0.00 C ATOM 1396 C GLY A 90 18.881 -4.939 1.651 1.00 0.00 C ATOM 1397 O GLY A 90 18.268 -5.816 1.042 1.00 0.00 O ATOM 0 H GLY A 90 17.169 -2.674 0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 90 19.037 -3.641 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.052 -3.182 1.311 1.00 0.00 H new ATOM 1401 N ARG A 91 19.412 -5.130 2.854 1.00 0.00 N ATOM 1402 CA ARG A 91 19.305 -6.411 3.542 1.00 0.00 C ATOM 1403 C ARG A 91 18.226 -6.361 4.621 1.00 0.00 C ATOM 1404 O ARG A 91 17.653 -7.386 4.988 1.00 0.00 O ATOM 1405 CB ARG A 91 20.648 -6.793 4.167 1.00 0.00 C ATOM 1406 CG ARG A 91 21.668 -7.295 3.158 1.00 0.00 C ATOM 1407 CD ARG A 91 23.091 -7.042 3.631 1.00 0.00 C ATOM 1408 NE ARG A 91 23.366 -5.617 3.799 1.00 0.00 N ATOM 1409 CZ ARG A 91 24.556 -5.134 4.141 1.00 0.00 C ATOM 1410 NH1 ARG A 91 25.574 -5.957 4.349 1.00 0.00 N ATOM 1411 NH2 ARG A 91 24.728 -3.825 4.274 1.00 0.00 N ATOM 0 H ARG A 91 19.921 -4.414 3.373 1.00 0.00 H new ATOM 0 HA ARG A 91 19.026 -7.166 2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.058 -5.926 4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.483 -7.565 4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.523 -8.363 2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 91 21.508 -6.800 2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.256 -7.557 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.793 -7.464 2.912 1.00 0.00 H new ATOM 0 HE ARG A 91 22.603 -4.957 3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.445 -6.964 4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 91 26.486 -5.584 4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 91 23.947 -3.189 4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 91 25.641 -3.455 4.537 1.00 0.00 H new ATOM 1425 N ARG A 92 17.956 -5.161 5.124 1.00 0.00 N ATOM 1426 CA ARG A 92 16.948 -4.977 6.161 1.00 0.00 C ATOM 1427 C ARG A 92 15.620 -4.533 5.555 1.00 0.00 C ATOM 1428 O ARG A 92 15.585 -3.931 4.482 1.00 0.00 O ATOM 1429 CB ARG A 92 17.423 -3.945 7.186 1.00 0.00 C ATOM 1430 CG ARG A 92 17.694 -2.574 6.590 1.00 0.00 C ATOM 1431 CD ARG A 92 18.236 -1.610 7.634 1.00 0.00 C ATOM 1432 NE ARG A 92 19.689 -1.696 7.756 1.00 0.00 N ATOM 1433 CZ ARG A 92 20.309 -2.550 8.563 1.00 0.00 C ATOM 1434 NH1 ARG A 92 19.607 -3.386 9.315 1.00 0.00 N ATOM 1435 NH2 ARG A 92 21.635 -2.568 8.619 1.00 0.00 N ATOM 0 H ARG A 92 18.421 -4.302 4.830 1.00 0.00 H new ATOM 0 HA ARG A 92 16.798 -5.934 6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 92 16.670 -3.849 7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.333 -4.311 7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.409 -2.666 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 92 16.774 -2.172 6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.954 -0.591 7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.778 -1.826 8.599 1.00 0.00 H new ATOM 0 HE ARG A 92 20.259 -1.066 7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.588 -3.375 9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.086 -4.040 9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.179 -1.926 8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.110 -3.224 9.239 1.00 0.00 H new ATOM 1449 N SER A 93 14.528 -4.834 6.251 1.00 0.00 N ATOM 1450 CA SER A 93 13.197 -4.470 5.780 1.00 0.00 C ATOM 1451 C SER A 93 12.193 -4.480 6.929 1.00 0.00 C ATOM 1452 O SER A 93 12.501 -4.926 8.034 1.00 0.00 O ATOM 1453 CB SER A 93 12.741 -5.432 4.681 1.00 0.00 C ATOM 1454 OG SER A 93 11.327 -5.491 4.610 1.00 0.00 O ATOM 0 H SER A 93 14.539 -5.329 7.143 1.00 0.00 H new ATOM 0 HA SER A 93 13.246 -3.460 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.143 -5.109 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.140 -6.427 4.876 1.00 0.00 H new ATOM 0 HG SER A 93 11.044 -6.421 4.484 1.00 0.00 H new ATOM 1460 N SER A 94 10.990 -3.983 6.659 1.00 0.00 N ATOM 1461 CA SER A 94 9.940 -3.930 7.670 1.00 0.00 C ATOM 1462 C SER A 94 8.712 -4.716 7.220 1.00 0.00 C ATOM 1463 O SER A 94 8.392 -4.766 6.032 1.00 0.00 O ATOM 1464 CB SER A 94 9.553 -2.479 7.958 1.00 0.00 C ATOM 1465 OG SER A 94 8.818 -1.924 6.882 1.00 0.00 O ATOM 0 H SER A 94 10.718 -3.611 5.749 1.00 0.00 H new ATOM 0 HA SER A 94 10.326 -4.384 8.583 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.959 -2.432 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.452 -1.887 8.132 1.00 0.00 H new ATOM 0 HG SER A 94 9.205 -2.223 6.033 1.00 0.00 H new ATOM 1471 N THR A 95 8.027 -5.331 8.179 1.00 0.00 N ATOM 1472 CA THR A 95 6.835 -6.116 7.884 1.00 0.00 C ATOM 1473 C THR A 95 5.793 -5.279 7.150 1.00 0.00 C ATOM 1474 O THR A 95 5.972 -4.076 6.961 1.00 0.00 O ATOM 1475 CB THR A 95 6.206 -6.688 9.168 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.166 -7.614 8.834 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.640 -5.573 10.036 1.00 0.00 C ATOM 0 H THR A 95 8.278 -5.300 9.167 1.00 0.00 H new ATOM 0 HA THR A 95 7.150 -6.941 7.245 1.00 0.00 H new ATOM 0 HB THR A 95 6.985 -7.204 9.729 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.772 -7.974 9.656 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.201 -6.001 10.937 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.440 -4.886 10.313 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.874 -5.033 9.480 1.00 0.00 H new ATOM 1485 N TRP A 96 4.707 -5.923 6.740 1.00 0.00 N ATOM 1486 CA TRP A 96 3.635 -5.236 6.027 1.00 0.00 C ATOM 1487 C TRP A 96 2.772 -4.427 6.989 1.00 0.00 C ATOM 1488 O TRP A 96 2.111 -4.986 7.864 1.00 0.00 O ATOM 1489 CB TRP A 96 2.769 -6.246 5.271 1.00 0.00 C ATOM 1490 CG TRP A 96 3.427 -6.786 4.038 1.00 0.00 C ATOM 1491 CD1 TRP A 96 3.886 -8.058 3.844 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.701 -6.071 2.828 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.428 -8.176 2.587 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.326 -6.971 1.944 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.477 -4.758 2.406 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 4.730 -6.598 0.665 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 3.878 -4.389 1.136 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.498 -5.306 0.277 1.00 0.00 C ATOM 0 H TRP A 96 4.545 -6.919 6.888 1.00 0.00 H new ATOM 0 HA TRP A 96 4.089 -4.550 5.312 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.525 -7.074 5.936 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.828 -5.771 4.994 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.831 -8.854 4.572 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.840 -9.023 2.196 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.999 -4.044 3.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.210 -7.303 0.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.711 -3.376 0.800 1.00 0.00 H new ATOM 0 HH2 TRP A 96 4.799 -4.987 -0.710 1.00 0.00 H new ATOM 1509 N SER A 97 2.784 -3.109 6.822 1.00 0.00 N ATOM 1510 CA SER A 97 2.005 -2.223 7.678 1.00 0.00 C ATOM 1511 C SER A 97 0.534 -2.630 7.686 1.00 0.00 C ATOM 1512 O SER A 97 0.124 -3.528 6.953 1.00 0.00 O ATOM 1513 CB SER A 97 2.142 -0.773 7.208 1.00 0.00 C ATOM 1514 OG SER A 97 1.695 -0.627 5.871 1.00 0.00 O ATOM 0 H SER A 97 3.325 -2.631 6.101 1.00 0.00 H new ATOM 0 HA SER A 97 2.393 -2.306 8.693 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.564 -0.119 7.862 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.183 -0.460 7.283 1.00 0.00 H new ATOM 0 HG SER A 97 2.438 -0.804 5.257 1.00 0.00 H new ATOM 1520 N MET A 98 -0.254 -1.961 8.522 1.00 0.00 N ATOM 1521 CA MET A 98 -1.679 -2.252 8.626 1.00 0.00 C ATOM 1522 C MET A 98 -2.325 -2.300 7.245 1.00 0.00 C ATOM 1523 O MET A 98 -2.245 -1.342 6.475 1.00 0.00 O ATOM 1524 CB MET A 98 -2.374 -1.199 9.490 1.00 0.00 C ATOM 1525 CG MET A 98 -2.040 0.230 9.095 1.00 0.00 C ATOM 1526 SD MET A 98 -3.199 1.430 9.780 1.00 0.00 S ATOM 1527 CE MET A 98 -2.434 1.773 11.363 1.00 0.00 C ATOM 0 H MET A 98 0.070 -1.214 9.137 1.00 0.00 H new ATOM 0 HA MET A 98 -1.792 -3.229 9.096 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.453 -1.342 9.425 1.00 0.00 H new ATOM 0 HB3 MET A 98 -2.094 -1.354 10.532 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.032 0.470 9.434 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.039 0.311 8.008 1.00 0.00 H new ATOM 0 HE1 MET A 98 -3.035 2.501 11.908 1.00 0.00 H new ATOM 0 HE2 MET A 98 -2.367 0.852 11.942 1.00 0.00 H new ATOM 0 HE3 MET A 98 -1.433 2.175 11.204 1.00 0.00 H new ATOM 1537 N THR A 99 -2.967 -3.423 6.936 1.00 0.00 N ATOM 1538 CA THR A 99 -3.626 -3.597 5.648 1.00 0.00 C ATOM 1539 C THR A 99 -4.840 -2.683 5.523 1.00 0.00 C ATOM 1540 O THR A 99 -5.799 -2.802 6.284 1.00 0.00 O ATOM 1541 CB THR A 99 -4.073 -5.056 5.438 1.00 0.00 C ATOM 1542 OG1 THR A 99 -3.040 -5.951 5.865 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.404 -5.316 3.976 1.00 0.00 C ATOM 0 H THR A 99 -3.044 -4.225 7.561 1.00 0.00 H new ATOM 0 HA THR A 99 -2.896 -3.334 4.882 1.00 0.00 H new ATOM 0 HB THR A 99 -4.970 -5.227 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.333 -6.877 5.730 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.717 -6.353 3.853 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.211 -4.654 3.662 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.522 -5.128 3.364 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.791 -1.771 4.558 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.888 -0.838 4.332 1.00 0.00 C ATOM 1553 C ALA A 100 -6.926 -1.430 3.385 1.00 0.00 C ATOM 1554 O ALA A 100 -6.615 -1.776 2.244 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.357 0.477 3.781 1.00 0.00 C ATOM 0 H ALA A 100 -4.003 -1.658 3.920 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.374 -0.649 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.187 1.164 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.659 0.915 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.844 0.295 2.836 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.160 -1.546 3.864 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.245 -2.097 3.059 1.00 0.00 C ATOM 1563 C HIS A 101 -10.093 -0.982 2.454 1.00 0.00 C ATOM 1564 O HIS A 101 -10.633 -0.141 3.171 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.122 -3.017 3.909 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.419 -4.258 4.368 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.479 -4.720 5.665 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.639 -5.135 3.693 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.765 -5.827 5.770 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.245 -6.100 4.586 1.00 0.00 N ATOM 0 H HIS A 101 -8.434 -1.266 4.806 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.805 -2.676 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.475 -2.466 4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.003 -3.300 3.333 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.376 -5.085 2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.630 -6.409 6.670 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.648 -6.898 4.371 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.205 -0.983 1.129 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.988 0.033 0.451 1.00 0.00 C ATOM 1581 C GLY A 102 -11.882 -0.547 -0.626 1.00 0.00 C ATOM 1582 O GLY A 102 -11.400 -1.131 -1.598 1.00 0.00 O ATOM 0 H GLY A 102 -9.768 -1.669 0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.600 0.563 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.317 0.767 0.005 1.00 0.00 H new ATOM 1586 N THR A 103 -13.191 -0.390 -0.455 1.00 0.00 N ATOM 1587 CA THR A 103 -14.156 -0.905 -1.418 1.00 0.00 C ATOM 1588 C THR A 103 -14.510 0.150 -2.460 1.00 0.00 C ATOM 1589 O THR A 103 -15.000 1.229 -2.126 1.00 0.00 O ATOM 1590 CB THR A 103 -15.447 -1.377 -0.723 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.127 -2.264 0.354 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.366 -2.081 -1.710 1.00 0.00 C ATOM 0 H THR A 103 -13.607 0.090 0.343 1.00 0.00 H new ATOM 0 HA THR A 103 -13.686 -1.756 -1.911 1.00 0.00 H new ATOM 0 HB THR A 103 -15.964 -0.501 -0.331 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.953 -2.558 0.792 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.271 -2.405 -1.197 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.631 -1.394 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.855 -2.948 -2.128 1.00 0.00 H new ATOM 1600 N THR A 104 -14.259 -0.168 -3.727 1.00 0.00 N ATOM 1601 CA THR A 104 -14.550 0.753 -4.818 1.00 0.00 C ATOM 1602 C THR A 104 -16.053 0.885 -5.039 1.00 0.00 C ATOM 1603 O THR A 104 -16.828 0.015 -4.641 1.00 0.00 O ATOM 1604 CB THR A 104 -13.888 0.296 -6.131 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.154 -1.093 -6.356 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.385 0.530 -6.090 1.00 0.00 C ATOM 0 H THR A 104 -13.855 -1.057 -4.022 1.00 0.00 H new ATOM 0 HA THR A 104 -14.141 1.722 -4.532 1.00 0.00 H new ATOM 0 HB THR A 104 -14.308 0.883 -6.948 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.617 -1.411 -7.112 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.940 0.199 -7.028 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.186 1.592 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.951 -0.034 -5.264 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.459 1.978 -5.676 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.870 2.224 -5.950 1.00 0.00 C ATOM 1616 C PHE A 105 -18.357 1.362 -7.111 1.00 0.00 C ATOM 1617 O PHE A 105 -17.558 0.847 -7.892 1.00 0.00 O ATOM 1618 CB PHE A 105 -18.099 3.703 -6.268 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.802 4.618 -5.114 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.223 4.298 -3.833 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -17.102 5.797 -5.310 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -17.951 5.137 -2.769 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.827 6.640 -4.250 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.252 6.310 -2.978 1.00 0.00 C ATOM 0 H PHE A 105 -15.831 2.708 -6.012 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.439 1.958 -5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.474 3.985 -7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.135 3.844 -6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -18.770 3.382 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.767 6.061 -6.302 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.284 4.876 -1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -16.280 7.556 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.038 6.968 -2.148 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.673 1.209 -7.215 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.267 0.407 -8.278 1.00 0.00 C ATOM 1636 C GLU A 106 -20.057 1.067 -9.638 1.00 0.00 C ATOM 1637 O GLU A 106 -20.204 2.282 -9.781 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.762 0.206 -8.022 1.00 0.00 C ATOM 1639 CG GLU A 106 -22.535 1.506 -7.877 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.747 1.366 -6.977 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -24.792 0.881 -7.460 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -23.652 1.742 -5.790 1.00 0.00 O ATOM 0 H GLU A 106 -20.348 1.630 -6.576 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.774 -0.565 -8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.188 -0.371 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.890 -0.386 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.875 2.274 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -22.856 1.846 -8.862 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.713 0.259 -10.635 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.482 0.763 -11.984 1.00 0.00 C ATOM 1651 C LEU A 107 -20.793 1.188 -12.638 1.00 0.00 C ATOM 1652 O LEU A 107 -20.940 2.331 -13.072 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.795 -0.304 -12.838 1.00 0.00 C ATOM 1654 CG LEU A 107 -17.896 0.212 -13.962 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -17.121 -0.934 -14.594 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -18.720 0.944 -15.011 1.00 0.00 C ATOM 0 H LEU A 107 -19.588 -0.748 -10.534 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.833 1.636 -11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -18.196 -0.936 -12.182 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -19.564 -0.939 -13.278 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.181 0.915 -13.535 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -16.487 -0.548 -15.392 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -16.501 -1.415 -13.838 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.820 -1.662 -15.006 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -18.064 1.304 -15.803 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -19.459 0.263 -15.434 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -19.229 1.790 -14.549 1.00 0.00 H new ATOM 1668 N SER A 108 -21.744 0.261 -12.703 1.00 0.00 N ATOM 1669 CA SER A 108 -23.042 0.539 -13.305 1.00 0.00 C ATOM 1670 C SER A 108 -23.972 1.217 -12.303 1.00 0.00 C ATOM 1671 O SER A 108 -24.553 0.564 -11.438 1.00 0.00 O ATOM 1672 CB SER A 108 -23.679 -0.755 -13.814 1.00 0.00 C ATOM 1673 OG SER A 108 -24.837 -0.484 -14.586 1.00 0.00 O ATOM 0 H SER A 108 -21.639 -0.689 -12.346 1.00 0.00 H new ATOM 0 HA SER A 108 -22.887 1.215 -14.146 1.00 0.00 H new ATOM 0 HB2 SER A 108 -22.957 -1.307 -14.416 1.00 0.00 H new ATOM 0 HB3 SER A 108 -23.942 -1.391 -12.969 1.00 0.00 H new ATOM 0 HG SER A 108 -25.225 -1.327 -14.901 1.00 0.00 H new ATOM 1679 N GLY A 109 -24.107 2.534 -12.427 1.00 0.00 N ATOM 1680 CA GLY A 109 -24.966 3.280 -11.527 1.00 0.00 C ATOM 1681 C GLY A 109 -26.427 3.206 -11.926 1.00 0.00 C ATOM 1682 O GLY A 109 -26.765 3.033 -13.097 1.00 0.00 O ATOM 0 H GLY A 109 -23.636 3.097 -13.135 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -24.849 2.894 -10.514 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -24.650 4.323 -11.509 1.00 0.00 H new ATOM 1686 N PRO A 110 -27.322 3.337 -10.936 1.00 0.00 N ATOM 1687 CA PRO A 110 -28.769 3.287 -11.165 1.00 0.00 C ATOM 1688 C PRO A 110 -29.279 4.509 -11.920 1.00 0.00 C ATOM 1689 O PRO A 110 -30.438 4.556 -12.334 1.00 0.00 O ATOM 1690 CB PRO A 110 -29.351 3.251 -9.749 1.00 0.00 C ATOM 1691 CG PRO A 110 -28.315 3.898 -8.897 1.00 0.00 C ATOM 1692 CD PRO A 110 -26.990 3.546 -9.516 1.00 0.00 C ATOM 0 HA PRO A 110 -29.055 2.434 -11.780 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -30.298 3.788 -9.697 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -29.546 2.228 -9.427 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -28.456 4.978 -8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -28.374 3.538 -7.870 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -26.261 4.346 -9.387 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -26.562 2.650 -9.067 1.00 0.00 H new ATOM 1700 N SER A 111 -28.408 5.497 -12.097 1.00 0.00 N ATOM 1701 CA SER A 111 -28.772 6.721 -12.800 1.00 0.00 C ATOM 1702 C SER A 111 -29.919 7.434 -12.091 1.00 0.00 C ATOM 1703 O SER A 111 -30.839 7.943 -12.731 1.00 0.00 O ATOM 1704 CB SER A 111 -29.166 6.407 -14.244 1.00 0.00 C ATOM 1705 OG SER A 111 -28.025 6.336 -15.081 1.00 0.00 O ATOM 0 H SER A 111 -27.445 5.474 -11.763 1.00 0.00 H new ATOM 0 HA SER A 111 -27.904 7.381 -12.803 1.00 0.00 H new ATOM 0 HB2 SER A 111 -29.706 5.461 -14.279 1.00 0.00 H new ATOM 0 HB3 SER A 111 -29.845 7.175 -14.614 1.00 0.00 H new ATOM 0 HG SER A 111 -28.304 6.132 -15.998 1.00 0.00 H new ATOM 1711 N SER A 112 -29.856 7.467 -10.763 1.00 0.00 N ATOM 1712 CA SER A 112 -30.891 8.114 -9.965 1.00 0.00 C ATOM 1713 C SER A 112 -30.649 9.618 -9.878 1.00 0.00 C ATOM 1714 O SER A 112 -29.601 10.114 -10.290 1.00 0.00 O ATOM 1715 CB SER A 112 -30.934 7.510 -8.560 1.00 0.00 C ATOM 1716 OG SER A 112 -29.706 7.709 -7.882 1.00 0.00 O ATOM 0 H SER A 112 -29.100 7.053 -10.218 1.00 0.00 H new ATOM 0 HA SER A 112 -31.851 7.946 -10.454 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.745 7.963 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 112 -31.148 6.443 -8.626 1.00 0.00 H new ATOM 0 HG SER A 112 -29.760 7.316 -6.986 1.00 0.00 H new ATOM 1722 N GLY A 113 -31.627 10.338 -9.337 1.00 0.00 N ATOM 1723 CA GLY A 113 -31.502 11.778 -9.204 1.00 0.00 C ATOM 1724 C GLY A 113 -32.604 12.525 -9.929 1.00 0.00 C ATOM 1725 O GLY A 113 -32.973 13.632 -9.538 1.00 0.00 O ATOM 0 H GLY A 113 -32.504 9.950 -8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -31.520 12.045 -8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -30.535 12.093 -9.596 1.00 0.00 H new TER 1729 GLY A 113