USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 985 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 76 GLN : amide:sc= 0.144 K(o=0.32,f=-11!) USER MOD Set 1.2: A 99 GLN : amide:sc= 0.175 K(o=0.32,f=-2.5!) USER MOD Set 2.1: A 40 TYR OH : rot -140:sc= 0.132 USER MOD Set 2.2: A 71 THR OG1 : rot 127:sc= 0.51 USER MOD Set 3.1: A 18 SER OG : rot -18:sc= 0.666 USER MOD Set 3.2: A 19 GLN : amide:sc= -0.213 K(o=-3.5,f=-5.3!) USER MOD Set 3.3: A 70 GLN : amide:sc= -1.5 K(o=-3.5,f=-5.9!) USER MOD Set 3.4: A 74 ASN : amide:sc= -2.5! C(o=-3.5!,f=-5.5!) USER MOD Set 4.1: A 9 ASN :FLIP amide:sc= 0 F(o=-1.7,f=-1) USER MOD Set 4.2: A 12 GLN : amide:sc= -1.01 K(o=-1,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.0815 (180deg=-0.0852) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 77:sc= 1.12 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 35 GLN : amide:sc= -0.85 K(o=-0.85,f=-4!) USER MOD Single : A 36 GLN : amide:sc= -0.0929 X(o=-0.093,f=-0.43) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 43 SER OG : rot 75:sc= 0.853 USER MOD Single : A 46 THR OG1 : rot 84:sc= 1.06 USER MOD Single : A 48 MET CE :methyl -171:sc= -0.233 (180deg=-0.489) USER MOD Single : A 50 LYS NZ :NH3+ -146:sc= -0.435 (180deg=-2.38!) USER MOD Single : A 51 GLN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0708 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -2.33! C(o=-2.3!,f=-3.9!) USER MOD Single : A 63 MET CE :methyl 179:sc= -1.48 (180deg=-1.48) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 155:sc= 0.26 (180deg=-0.00156) USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= -0.879 (180deg=-1.39!) USER MOD Single : A 83 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.252 K(o=-0.25,f=-8!) USER MOD Single : A 96 SER OG : rot 50:sc= 0.191 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.117 F(o=-1.7!,f=-0.12) USER MOD Single : A 106 TYR OH : rot 165:sc= 0 USER MOD Single : A 110 SER OG : rot 154:sc= 0.115 USER MOD Single : A 112 MET CE :methyl 176:sc= -0.0164 (180deg=-0.076) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.278 3.110 21.168 1.00 63.45 N ATOM 2 CA MET A 1 2.592 2.209 20.205 1.00 70.34 C ATOM 3 C MET A 1 1.563 2.982 19.343 1.00 14.04 C ATOM 4 O MET A 1 1.153 2.480 18.306 1.00 62.33 O ATOM 5 CB MET A 1 1.918 1.020 20.969 1.00 63.12 C ATOM 6 CG MET A 1 1.250 -0.062 20.088 1.00 41.52 C ATOM 7 SD MET A 1 2.432 -0.926 19.025 1.00 54.32 S ATOM 8 CE MET A 1 1.386 -2.084 18.140 1.00 21.22 C ATOM 0 H1 MET A 1 3.973 2.566 21.718 1.00 63.45 H new ATOM 0 H2 MET A 1 3.765 3.868 20.648 1.00 63.45 H new ATOM 0 H3 MET A 1 2.577 3.528 21.812 1.00 63.45 H new ATOM 0 HA MET A 1 3.338 1.802 19.523 1.00 70.34 H new ATOM 0 HB2 MET A 1 2.673 0.539 21.590 1.00 63.12 H new ATOM 0 HB3 MET A 1 1.164 1.428 21.642 1.00 63.12 H new ATOM 0 HG2 MET A 1 0.747 -0.786 20.729 1.00 41.52 H new ATOM 0 HG3 MET A 1 0.483 0.403 19.469 1.00 41.52 H new ATOM 0 HE1 MET A 1 1.995 -2.674 17.455 1.00 21.22 H new ATOM 0 HE2 MET A 1 0.894 -2.747 18.852 1.00 21.22 H new ATOM 0 HE3 MET A 1 0.632 -1.535 17.575 1.00 21.22 H new ATOM 20 N THR A 2 1.185 4.217 19.754 1.00 43.42 N ATOM 21 CA THR A 2 0.152 5.029 19.054 1.00 34.34 C ATOM 22 C THR A 2 0.487 5.239 17.559 1.00 50.21 C ATOM 23 O THR A 2 -0.334 4.945 16.673 1.00 54.10 O ATOM 24 CB THR A 2 -0.035 6.415 19.758 1.00 52.24 C ATOM 25 OG1 THR A 2 1.248 7.042 19.921 1.00 2.44 O ATOM 26 CG2 THR A 2 -0.720 6.281 21.132 1.00 43.33 C ATOM 0 H THR A 2 1.582 4.678 20.573 1.00 43.42 H new ATOM 0 HA THR A 2 -0.781 4.468 19.109 1.00 34.34 H new ATOM 0 HB THR A 2 -0.681 7.025 19.126 1.00 52.24 H new ATOM 0 HG1 THR A 2 1.134 7.911 20.360 1.00 2.44 H new ATOM 0 HG21 THR A 2 -0.828 7.268 21.582 1.00 43.33 H new ATOM 0 HG22 THR A 2 -1.704 5.830 21.005 1.00 43.33 H new ATOM 0 HG23 THR A 2 -0.113 5.651 21.781 1.00 43.33 H new ATOM 34 N SER A 3 1.718 5.703 17.302 1.00 41.14 N ATOM 35 CA SER A 3 2.230 5.937 15.945 1.00 2.30 C ATOM 36 C SER A 3 2.336 4.618 15.156 1.00 63.53 C ATOM 37 O SER A 3 2.205 4.612 13.933 1.00 72.50 O ATOM 38 CB SER A 3 3.601 6.627 16.040 1.00 23.42 C ATOM 39 OG SER A 3 3.506 7.829 16.787 1.00 52.34 O ATOM 0 H SER A 3 2.391 5.928 18.035 1.00 41.14 H new ATOM 0 HA SER A 3 1.535 6.581 15.407 1.00 2.30 H new ATOM 0 HB2 SER A 3 4.320 5.956 16.511 1.00 23.42 H new ATOM 0 HB3 SER A 3 3.975 6.843 15.039 1.00 23.42 H new ATOM 0 HG SER A 3 4.388 8.253 16.838 1.00 52.34 H new ATOM 45 N THR A 4 2.571 3.506 15.887 1.00 30.53 N ATOM 46 CA THR A 4 2.677 2.159 15.301 1.00 43.12 C ATOM 47 C THR A 4 1.291 1.626 14.889 1.00 70.13 C ATOM 48 O THR A 4 1.175 0.914 13.895 1.00 4.13 O ATOM 49 CB THR A 4 3.383 1.158 16.287 1.00 10.23 C ATOM 50 OG1 THR A 4 4.514 1.793 16.908 1.00 22.02 O ATOM 51 CG2 THR A 4 3.867 -0.116 15.570 1.00 63.24 C ATOM 0 H THR A 4 2.692 3.521 16.900 1.00 30.53 H new ATOM 0 HA THR A 4 3.294 2.239 14.406 1.00 43.12 H new ATOM 0 HB THR A 4 2.644 0.874 17.036 1.00 10.23 H new ATOM 0 HG1 THR A 4 4.947 1.163 17.522 1.00 22.02 H new ATOM 0 HG21 THR A 4 4.348 -0.778 16.290 1.00 63.24 H new ATOM 0 HG22 THR A 4 3.015 -0.626 15.120 1.00 63.24 H new ATOM 0 HG23 THR A 4 4.581 0.154 14.791 1.00 63.24 H new ATOM 59 N VAL A 5 0.240 1.996 15.646 1.00 4.32 N ATOM 60 CA VAL A 5 -1.146 1.608 15.324 1.00 54.53 C ATOM 61 C VAL A 5 -1.597 2.346 14.058 1.00 71.53 C ATOM 62 O VAL A 5 -2.152 1.732 13.153 1.00 13.02 O ATOM 63 CB VAL A 5 -2.136 1.899 16.514 1.00 63.21 C ATOM 64 CG1 VAL A 5 -3.601 1.555 16.143 1.00 34.21 C ATOM 65 CG2 VAL A 5 -1.705 1.141 17.790 1.00 3.21 C ATOM 0 H VAL A 5 0.326 2.565 16.488 1.00 4.32 H new ATOM 0 HA VAL A 5 -1.166 0.532 15.152 1.00 54.53 H new ATOM 0 HB VAL A 5 -2.091 2.969 16.716 1.00 63.21 H new ATOM 0 HG11 VAL A 5 -4.251 1.770 16.991 1.00 34.21 H new ATOM 0 HG12 VAL A 5 -3.910 2.155 15.287 1.00 34.21 H new ATOM 0 HG13 VAL A 5 -3.673 0.497 15.890 1.00 34.21 H new ATOM 0 HG21 VAL A 5 -2.405 1.359 18.597 1.00 3.21 H new ATOM 0 HG22 VAL A 5 -1.701 0.069 17.593 1.00 3.21 H new ATOM 0 HG23 VAL A 5 -0.704 1.460 18.082 1.00 3.21 H new ATOM 75 N GLU A 6 -1.312 3.667 14.002 1.00 30.45 N ATOM 76 CA GLU A 6 -1.540 4.482 12.790 1.00 51.11 C ATOM 77 C GLU A 6 -0.824 3.870 11.578 1.00 73.31 C ATOM 78 O GLU A 6 -1.423 3.686 10.532 1.00 12.22 O ATOM 79 CB GLU A 6 -1.056 5.942 13.018 1.00 21.53 C ATOM 80 CG GLU A 6 -1.972 6.771 13.934 1.00 54.05 C ATOM 81 CD GLU A 6 -3.372 7.013 13.326 1.00 4.11 C ATOM 82 OE1 GLU A 6 -3.518 7.929 12.493 1.00 12.11 O ATOM 83 OE2 GLU A 6 -4.330 6.284 13.671 1.00 60.14 O ATOM 0 H GLU A 6 -0.923 4.191 14.786 1.00 30.45 H new ATOM 0 HA GLU A 6 -2.611 4.495 12.587 1.00 51.11 H new ATOM 0 HB2 GLU A 6 -0.055 5.919 13.448 1.00 21.53 H new ATOM 0 HB3 GLU A 6 -0.976 6.442 12.053 1.00 21.53 H new ATOM 0 HG2 GLU A 6 -2.080 6.259 14.890 1.00 54.05 H new ATOM 0 HG3 GLU A 6 -1.499 7.732 14.139 1.00 54.05 H new ATOM 90 N PHE A 7 0.445 3.524 11.782 1.00 31.43 N ATOM 91 CA PHE A 7 1.327 2.951 10.760 1.00 73.11 C ATOM 92 C PHE A 7 0.718 1.668 10.119 1.00 34.34 C ATOM 93 O PHE A 7 0.402 1.660 8.912 1.00 13.12 O ATOM 94 CB PHE A 7 2.697 2.678 11.431 1.00 43.35 C ATOM 95 CG PHE A 7 3.746 2.032 10.553 1.00 70.40 C ATOM 96 CD1 PHE A 7 4.306 2.725 9.480 1.00 44.23 C ATOM 97 CD2 PHE A 7 4.199 0.740 10.817 1.00 52.21 C ATOM 98 CE1 PHE A 7 5.269 2.138 8.693 1.00 14.30 C ATOM 99 CE2 PHE A 7 5.156 0.160 10.029 1.00 24.12 C ATOM 100 CZ PHE A 7 5.697 0.858 8.974 1.00 21.54 C ATOM 0 H PHE A 7 0.904 3.636 12.686 1.00 31.43 H new ATOM 0 HA PHE A 7 1.451 3.651 9.934 1.00 73.11 H new ATOM 0 HB2 PHE A 7 3.093 3.624 11.801 1.00 43.35 H new ATOM 0 HB3 PHE A 7 2.534 2.039 12.299 1.00 43.35 H new ATOM 0 HD1 PHE A 7 3.980 3.732 9.265 1.00 44.23 H new ATOM 0 HD2 PHE A 7 3.790 0.191 11.652 1.00 52.21 H new ATOM 0 HE1 PHE A 7 5.689 2.678 7.857 1.00 14.30 H new ATOM 0 HE2 PHE A 7 5.487 -0.847 10.236 1.00 24.12 H new ATOM 0 HZ PHE A 7 6.461 0.401 8.363 1.00 21.54 H new ATOM 110 N ILE A 8 0.498 0.624 10.960 1.00 63.35 N ATOM 111 CA ILE A 8 -0.052 -0.678 10.519 1.00 61.11 C ATOM 112 C ILE A 8 -1.423 -0.487 9.845 1.00 60.21 C ATOM 113 O ILE A 8 -1.648 -0.977 8.741 1.00 12.32 O ATOM 114 CB ILE A 8 -0.223 -1.696 11.722 1.00 11.30 C ATOM 115 CG1 ILE A 8 1.120 -1.919 12.481 1.00 0.20 C ATOM 116 CG2 ILE A 8 -0.809 -3.052 11.231 1.00 10.03 C ATOM 117 CD1 ILE A 8 1.009 -2.811 13.713 1.00 61.22 C ATOM 0 H ILE A 8 0.697 0.664 11.960 1.00 63.35 H new ATOM 0 HA ILE A 8 0.666 -1.092 9.810 1.00 61.11 H new ATOM 0 HB ILE A 8 -0.930 -1.252 12.423 1.00 11.30 H new ATOM 0 HG12 ILE A 8 1.843 -2.359 11.794 1.00 0.20 H new ATOM 0 HG13 ILE A 8 1.517 -0.950 12.784 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -0.915 -3.730 12.078 1.00 10.03 H new ATOM 0 HG22 ILE A 8 -1.785 -2.883 10.777 1.00 10.03 H new ATOM 0 HG23 ILE A 8 -0.137 -3.493 10.495 1.00 10.03 H new ATOM 0 HD11 ILE A 8 1.989 -2.912 14.179 1.00 61.22 H new ATOM 0 HD12 ILE A 8 0.314 -2.365 14.424 1.00 61.22 H new ATOM 0 HD13 ILE A 8 0.645 -3.795 13.418 1.00 61.22 H new ATOM 129 N ASN A 9 -2.299 0.273 10.524 1.00 35.32 N ATOM 130 CA ASN A 9 -3.714 0.426 10.146 1.00 55.24 C ATOM 131 C ASN A 9 -3.870 1.139 8.794 1.00 14.13 C ATOM 132 O ASN A 9 -4.739 0.778 7.989 1.00 54.34 O ATOM 133 CB ASN A 9 -4.487 1.179 11.260 1.00 13.41 C ATOM 134 CG ASN A 9 -6.009 1.173 11.102 1.00 62.44 C ATOM 135 OD1 ASN A 9 -6.570 0.092 10.571 1.00 34.31 O flip ATOM 136 ND2 ASN A 9 -6.685 2.122 11.487 1.00 71.24 N flip ATOM 0 H ASN A 9 -2.043 0.803 11.357 1.00 35.32 H new ATOM 0 HA ASN A 9 -4.140 -0.571 10.034 1.00 55.24 H new ATOM 0 HB2 ASN A 9 -4.234 0.734 12.222 1.00 13.41 H new ATOM 0 HB3 ASN A 9 -4.143 2.213 11.286 1.00 13.41 H new ATOM 0 HD21 ASN A 9 -6.231 2.941 11.891 1.00 71.24 H new ATOM 0 HD22 ASN A 9 -7.701 2.092 11.403 1.00 71.24 H new ATOM 143 N ARG A 10 -3.003 2.139 8.547 1.00 23.34 N ATOM 144 CA ARG A 10 -2.980 2.867 7.271 1.00 23.32 C ATOM 145 C ARG A 10 -2.459 1.954 6.142 1.00 73.14 C ATOM 146 O ARG A 10 -2.979 2.000 5.025 1.00 4.40 O ATOM 147 CB ARG A 10 -2.127 4.162 7.377 1.00 54.13 C ATOM 148 CG ARG A 10 -2.728 5.271 8.282 1.00 20.11 C ATOM 149 CD ARG A 10 -1.805 6.503 8.420 1.00 43.12 C ATOM 150 NE ARG A 10 -2.304 7.485 9.411 1.00 41.24 N ATOM 151 CZ ARG A 10 -2.287 8.826 9.264 1.00 32.41 C ATOM 152 NH1 ARG A 10 -1.804 9.388 8.154 1.00 61.34 N ATOM 153 NH2 ARG A 10 -2.745 9.604 10.237 1.00 75.12 N ATOM 0 H ARG A 10 -2.307 2.460 9.220 1.00 23.34 H new ATOM 0 HA ARG A 10 -4.001 3.165 7.031 1.00 23.32 H new ATOM 0 HB2 ARG A 10 -1.140 3.899 7.757 1.00 54.13 H new ATOM 0 HB3 ARG A 10 -1.985 4.568 6.376 1.00 54.13 H new ATOM 0 HG2 ARG A 10 -3.687 5.587 7.872 1.00 20.11 H new ATOM 0 HG3 ARG A 10 -2.924 4.858 9.272 1.00 20.11 H new ATOM 0 HD2 ARG A 10 -0.808 6.174 8.712 1.00 43.12 H new ATOM 0 HD3 ARG A 10 -1.709 6.990 7.450 1.00 43.12 H new ATOM 0 HE ARG A 10 -2.694 7.116 10.278 1.00 41.24 H new ATOM 0 HH11 ARG A 10 -1.441 8.802 7.402 1.00 61.34 H new ATOM 0 HH12 ARG A 10 -1.798 10.403 8.058 1.00 61.34 H new ATOM 0 HH21 ARG A 10 -3.109 9.188 11.094 1.00 75.12 H new ATOM 0 HH22 ARG A 10 -2.733 10.618 10.128 1.00 75.12 H new ATOM 167 N TRP A 11 -1.446 1.107 6.439 1.00 54.34 N ATOM 168 CA TRP A 11 -0.953 0.101 5.460 1.00 63.24 C ATOM 169 C TRP A 11 -1.990 -1.015 5.203 1.00 24.02 C ATOM 170 O TRP A 11 -2.007 -1.604 4.114 1.00 21.33 O ATOM 171 CB TRP A 11 0.412 -0.503 5.888 1.00 52.43 C ATOM 172 CG TRP A 11 1.588 0.427 5.660 1.00 54.32 C ATOM 173 CD1 TRP A 11 2.356 1.044 6.605 1.00 32.44 C ATOM 174 CD2 TRP A 11 2.120 0.847 4.389 1.00 14.40 C ATOM 175 NE1 TRP A 11 3.324 1.806 6.008 1.00 54.21 N ATOM 176 CE2 TRP A 11 3.202 1.705 4.652 1.00 30.22 C ATOM 177 CE3 TRP A 11 1.790 0.580 3.055 1.00 15.13 C ATOM 178 CZ2 TRP A 11 3.956 2.296 3.640 1.00 20.41 C ATOM 179 CZ3 TRP A 11 2.534 1.170 2.048 1.00 42.32 C ATOM 180 CH2 TRP A 11 3.609 2.018 2.348 1.00 41.41 C ATOM 0 H TRP A 11 -0.958 1.096 7.335 1.00 54.34 H new ATOM 0 HA TRP A 11 -0.802 0.634 4.521 1.00 63.24 H new ATOM 0 HB2 TRP A 11 0.368 -0.766 6.945 1.00 52.43 H new ATOM 0 HB3 TRP A 11 0.579 -1.428 5.336 1.00 52.43 H new ATOM 0 HD1 TRP A 11 2.219 0.945 7.672 1.00 32.44 H new ATOM 0 HE1 TRP A 11 4.025 2.361 6.498 1.00 54.21 H new ATOM 0 HE3 TRP A 11 0.967 -0.077 2.815 1.00 15.13 H new ATOM 0 HZ2 TRP A 11 4.785 2.950 3.869 1.00 20.41 H new ATOM 0 HZ3 TRP A 11 2.283 0.974 1.016 1.00 42.32 H new ATOM 0 HH2 TRP A 11 4.175 2.461 1.541 1.00 41.41 H new ATOM 191 N GLN A 12 -2.852 -1.297 6.206 1.00 42.11 N ATOM 192 CA GLN A 12 -3.991 -2.224 6.040 1.00 52.12 C ATOM 193 C GLN A 12 -4.967 -1.640 5.011 1.00 10.24 C ATOM 194 O GLN A 12 -5.372 -2.325 4.073 1.00 5.21 O ATOM 195 CB GLN A 12 -4.730 -2.484 7.389 1.00 10.51 C ATOM 196 CG GLN A 12 -3.905 -3.228 8.457 1.00 23.32 C ATOM 197 CD GLN A 12 -4.692 -3.466 9.756 1.00 43.44 C ATOM 198 OE1 GLN A 12 -4.675 -2.641 10.667 1.00 52.14 O ATOM 199 NE2 GLN A 12 -5.409 -4.578 9.843 1.00 51.13 N ATOM 0 H GLN A 12 -2.779 -0.894 7.140 1.00 42.11 H new ATOM 0 HA GLN A 12 -3.605 -3.182 5.691 1.00 52.12 H new ATOM 0 HB2 GLN A 12 -5.048 -1.526 7.801 1.00 10.51 H new ATOM 0 HB3 GLN A 12 -5.633 -3.059 7.185 1.00 10.51 H new ATOM 0 HG2 GLN A 12 -3.578 -4.187 8.055 1.00 23.32 H new ATOM 0 HG3 GLN A 12 -3.007 -2.653 8.682 1.00 23.32 H new ATOM 0 HE21 GLN A 12 -5.407 -5.248 9.074 1.00 51.13 H new ATOM 0 HE22 GLN A 12 -5.963 -4.764 10.679 1.00 51.13 H new ATOM 208 N ARG A 13 -5.287 -0.342 5.193 1.00 73.12 N ATOM 209 CA ARG A 13 -6.167 0.424 4.294 1.00 55.51 C ATOM 210 C ARG A 13 -5.665 0.346 2.832 1.00 30.32 C ATOM 211 O ARG A 13 -6.424 0.010 1.929 1.00 24.30 O ATOM 212 CB ARG A 13 -6.229 1.904 4.762 1.00 64.24 C ATOM 213 CG ARG A 13 -7.134 2.822 3.905 1.00 70.12 C ATOM 214 CD ARG A 13 -8.637 2.482 4.028 1.00 65.03 C ATOM 215 NE ARG A 13 -9.481 3.374 3.206 1.00 4.44 N ATOM 216 CZ ARG A 13 -9.764 4.658 3.485 1.00 11.13 C ATOM 217 NH1 ARG A 13 -9.285 5.259 4.569 1.00 13.11 N ATOM 218 NH2 ARG A 13 -10.536 5.338 2.665 1.00 20.01 N ATOM 0 H ARG A 13 -4.936 0.207 5.978 1.00 73.12 H new ATOM 0 HA ARG A 13 -7.167 -0.009 4.331 1.00 55.51 H new ATOM 0 HB2 ARG A 13 -6.583 1.929 5.793 1.00 64.24 H new ATOM 0 HB3 ARG A 13 -5.218 2.312 4.762 1.00 64.24 H new ATOM 0 HG2 ARG A 13 -6.977 3.858 4.204 1.00 70.12 H new ATOM 0 HG3 ARG A 13 -6.835 2.743 2.860 1.00 70.12 H new ATOM 0 HD2 ARG A 13 -8.800 1.448 3.723 1.00 65.03 H new ATOM 0 HD3 ARG A 13 -8.941 2.558 5.072 1.00 65.03 H new ATOM 0 HE ARG A 13 -9.883 2.982 2.354 1.00 4.44 H new ATOM 0 HH11 ARG A 13 -8.686 4.745 5.215 1.00 13.11 H new ATOM 0 HH12 ARG A 13 -9.516 6.235 4.755 1.00 13.11 H new ATOM 0 HH21 ARG A 13 -10.912 4.890 1.829 1.00 20.01 H new ATOM 0 HH22 ARG A 13 -10.759 6.313 2.865 1.00 20.01 H new ATOM 232 N ILE A 14 -4.360 0.621 2.649 1.00 43.33 N ATOM 233 CA ILE A 14 -3.692 0.642 1.332 1.00 10.34 C ATOM 234 C ILE A 14 -3.786 -0.729 0.625 1.00 74.14 C ATOM 235 O ILE A 14 -4.236 -0.816 -0.525 1.00 1.33 O ATOM 236 CB ILE A 14 -2.184 1.058 1.513 1.00 10.31 C ATOM 237 CG1 ILE A 14 -2.078 2.517 2.058 1.00 1.02 C ATOM 238 CG2 ILE A 14 -1.383 0.899 0.205 1.00 0.32 C ATOM 239 CD1 ILE A 14 -0.681 2.932 2.488 1.00 71.40 C ATOM 0 H ILE A 14 -3.730 0.838 3.422 1.00 43.33 H new ATOM 0 HA ILE A 14 -4.201 1.372 0.703 1.00 10.34 H new ATOM 0 HB ILE A 14 -1.743 0.382 2.245 1.00 10.31 H new ATOM 0 HG12 ILE A 14 -2.426 3.205 1.287 1.00 1.02 H new ATOM 0 HG13 ILE A 14 -2.752 2.623 2.908 1.00 1.02 H new ATOM 0 HG21 ILE A 14 -0.348 1.197 0.374 1.00 0.32 H new ATOM 0 HG22 ILE A 14 -1.414 -0.142 -0.116 1.00 0.32 H new ATOM 0 HG23 ILE A 14 -1.820 1.530 -0.569 1.00 0.32 H new ATOM 0 HD11 ILE A 14 -0.703 3.959 2.852 1.00 71.40 H new ATOM 0 HD12 ILE A 14 -0.334 2.272 3.283 1.00 71.40 H new ATOM 0 HD13 ILE A 14 -0.003 2.863 1.637 1.00 71.40 H new ATOM 251 N ALA A 15 -3.373 -1.785 1.344 1.00 21.24 N ATOM 252 CA ALA A 15 -3.318 -3.160 0.816 1.00 31.33 C ATOM 253 C ALA A 15 -4.699 -3.660 0.365 1.00 72.05 C ATOM 254 O ALA A 15 -4.850 -4.227 -0.727 1.00 43.11 O ATOM 255 CB ALA A 15 -2.753 -4.080 1.889 1.00 23.04 C ATOM 0 H ALA A 15 -3.066 -1.710 2.314 1.00 21.24 H new ATOM 0 HA ALA A 15 -2.673 -3.163 -0.063 1.00 31.33 H new ATOM 0 HB1 ALA A 15 -2.709 -5.100 1.507 1.00 23.04 H new ATOM 0 HB2 ALA A 15 -1.750 -3.750 2.160 1.00 23.04 H new ATOM 0 HB3 ALA A 15 -3.395 -4.050 2.769 1.00 23.04 H new ATOM 261 N LEU A 16 -5.699 -3.405 1.219 1.00 0.21 N ATOM 262 CA LEU A 16 -7.089 -3.847 0.999 1.00 42.13 C ATOM 263 C LEU A 16 -7.736 -3.082 -0.173 1.00 31.34 C ATOM 264 O LEU A 16 -8.445 -3.679 -0.989 1.00 13.30 O ATOM 265 CB LEU A 16 -7.925 -3.673 2.299 1.00 33.10 C ATOM 266 CG LEU A 16 -7.486 -4.554 3.519 1.00 50.41 C ATOM 267 CD1 LEU A 16 -8.326 -4.221 4.776 1.00 55.25 C ATOM 268 CD2 LEU A 16 -7.550 -6.058 3.174 1.00 4.45 C ATOM 0 H LEU A 16 -5.570 -2.884 2.087 1.00 0.21 H new ATOM 0 HA LEU A 16 -7.072 -4.905 0.737 1.00 42.13 H new ATOM 0 HB2 LEU A 16 -7.882 -2.626 2.598 1.00 33.10 H new ATOM 0 HB3 LEU A 16 -8.967 -3.897 2.070 1.00 33.10 H new ATOM 0 HG LEU A 16 -6.447 -4.317 3.747 1.00 50.41 H new ATOM 0 HD11 LEU A 16 -8.001 -4.847 5.607 1.00 55.25 H new ATOM 0 HD12 LEU A 16 -8.190 -3.171 5.037 1.00 55.25 H new ATOM 0 HD13 LEU A 16 -9.380 -4.410 4.570 1.00 55.25 H new ATOM 0 HD21 LEU A 16 -7.240 -6.643 4.040 1.00 4.45 H new ATOM 0 HD22 LEU A 16 -8.571 -6.326 2.902 1.00 4.45 H new ATOM 0 HD23 LEU A 16 -6.884 -6.268 2.337 1.00 4.45 H new ATOM 280 N LEU A 17 -7.468 -1.756 -0.252 1.00 24.22 N ATOM 281 CA LEU A 17 -7.978 -0.900 -1.343 1.00 61.14 C ATOM 282 C LEU A 17 -7.429 -1.370 -2.695 1.00 32.11 C ATOM 283 O LEU A 17 -8.201 -1.633 -3.604 1.00 61.21 O ATOM 284 CB LEU A 17 -7.640 0.609 -1.120 1.00 63.03 C ATOM 285 CG LEU A 17 -8.473 1.360 -0.034 1.00 32.53 C ATOM 286 CD1 LEU A 17 -8.035 2.839 0.079 1.00 55.44 C ATOM 287 CD2 LEU A 17 -9.981 1.245 -0.322 1.00 42.22 C ATOM 0 H LEU A 17 -6.899 -1.257 0.432 1.00 24.22 H new ATOM 0 HA LEU A 17 -9.064 -0.994 -1.342 1.00 61.14 H new ATOM 0 HB2 LEU A 17 -6.586 0.686 -0.854 1.00 63.03 H new ATOM 0 HB3 LEU A 17 -7.768 1.130 -2.069 1.00 63.03 H new ATOM 0 HG LEU A 17 -8.280 0.884 0.928 1.00 32.53 H new ATOM 0 HD11 LEU A 17 -8.632 3.338 0.843 1.00 55.44 H new ATOM 0 HD12 LEU A 17 -6.981 2.886 0.354 1.00 55.44 H new ATOM 0 HD13 LEU A 17 -8.183 3.337 -0.879 1.00 55.44 H new ATOM 0 HD21 LEU A 17 -10.540 1.776 0.448 1.00 42.22 H new ATOM 0 HD22 LEU A 17 -10.200 1.683 -1.296 1.00 42.22 H new ATOM 0 HD23 LEU A 17 -10.272 0.195 -0.323 1.00 42.22 H new ATOM 299 N SER A 18 -6.094 -1.523 -2.781 1.00 32.14 N ATOM 300 CA SER A 18 -5.401 -1.899 -4.028 1.00 20.14 C ATOM 301 C SER A 18 -5.848 -3.286 -4.526 1.00 12.54 C ATOM 302 O SER A 18 -6.030 -3.483 -5.737 1.00 64.13 O ATOM 303 CB SER A 18 -3.880 -1.879 -3.809 1.00 71.01 C ATOM 304 OG SER A 18 -3.501 -2.771 -2.775 1.00 51.12 O ATOM 0 H SER A 18 -5.466 -1.390 -1.989 1.00 32.14 H new ATOM 0 HA SER A 18 -5.666 -1.170 -4.794 1.00 20.14 H new ATOM 0 HB2 SER A 18 -3.373 -2.153 -4.734 1.00 71.01 H new ATOM 0 HB3 SER A 18 -3.559 -0.868 -3.557 1.00 71.01 H new ATOM 0 HG SER A 18 -4.285 -2.991 -2.229 1.00 51.12 H new ATOM 310 N GLN A 19 -6.023 -4.246 -3.579 1.00 34.43 N ATOM 311 CA GLN A 19 -6.518 -5.599 -3.908 1.00 33.13 C ATOM 312 C GLN A 19 -7.941 -5.527 -4.457 1.00 24.41 C ATOM 313 O GLN A 19 -8.258 -6.184 -5.448 1.00 1.52 O ATOM 314 CB GLN A 19 -6.439 -6.552 -2.684 1.00 53.21 C ATOM 315 CG GLN A 19 -6.879 -8.016 -2.961 1.00 61.14 C ATOM 316 CD GLN A 19 -6.153 -8.668 -4.152 1.00 24.24 C ATOM 317 OE1 GLN A 19 -6.616 -8.615 -5.292 1.00 2.30 O ATOM 318 NE2 GLN A 19 -5.015 -9.290 -3.901 1.00 5.34 N ATOM 0 H GLN A 19 -5.828 -4.104 -2.588 1.00 34.43 H new ATOM 0 HA GLN A 19 -5.870 -6.013 -4.680 1.00 33.13 H new ATOM 0 HB2 GLN A 19 -5.413 -6.561 -2.315 1.00 53.21 H new ATOM 0 HB3 GLN A 19 -7.061 -6.146 -1.886 1.00 53.21 H new ATOM 0 HG2 GLN A 19 -6.701 -8.614 -2.067 1.00 61.14 H new ATOM 0 HG3 GLN A 19 -7.953 -8.034 -3.148 1.00 61.14 H new ATOM 0 HE21 GLN A 19 -4.650 -9.321 -2.949 1.00 5.34 H new ATOM 0 HE22 GLN A 19 -4.501 -9.739 -4.659 1.00 5.34 H new ATOM 327 N SER A 20 -8.776 -4.689 -3.828 1.00 44.43 N ATOM 328 CA SER A 20 -10.143 -4.457 -4.292 1.00 10.44 C ATOM 329 C SER A 20 -10.143 -3.881 -5.718 1.00 52.04 C ATOM 330 O SER A 20 -10.860 -4.376 -6.574 1.00 11.52 O ATOM 331 CB SER A 20 -10.892 -3.525 -3.335 1.00 35.53 C ATOM 332 OG SER A 20 -10.989 -4.097 -2.040 1.00 33.03 O ATOM 0 H SER A 20 -8.523 -4.160 -2.993 1.00 44.43 H new ATOM 0 HA SER A 20 -10.661 -5.416 -4.309 1.00 10.44 H new ATOM 0 HB2 SER A 20 -10.375 -2.567 -3.276 1.00 35.53 H new ATOM 0 HB3 SER A 20 -11.890 -3.325 -3.724 1.00 35.53 H new ATOM 0 HG SER A 20 -10.131 -4.004 -1.576 1.00 33.03 H new ATOM 338 N LEU A 21 -9.269 -2.880 -5.965 1.00 4.20 N ATOM 339 CA LEU A 21 -9.156 -2.206 -7.273 1.00 22.02 C ATOM 340 C LEU A 21 -8.699 -3.201 -8.362 1.00 34.43 C ATOM 341 O LEU A 21 -9.120 -3.105 -9.514 1.00 54.23 O ATOM 342 CB LEU A 21 -8.177 -0.989 -7.193 1.00 24.20 C ATOM 343 CG LEU A 21 -8.529 0.132 -6.155 1.00 74.24 C ATOM 344 CD1 LEU A 21 -7.534 1.320 -6.242 1.00 4.11 C ATOM 345 CD2 LEU A 21 -9.992 0.599 -6.296 1.00 75.20 C ATOM 0 H LEU A 21 -8.624 -2.519 -5.262 1.00 4.20 H new ATOM 0 HA LEU A 21 -10.142 -1.829 -7.544 1.00 22.02 H new ATOM 0 HB2 LEU A 21 -7.182 -1.368 -6.960 1.00 24.20 H new ATOM 0 HB3 LEU A 21 -8.121 -0.532 -8.181 1.00 24.20 H new ATOM 0 HG LEU A 21 -8.427 -0.302 -5.160 1.00 74.24 H new ATOM 0 HD11 LEU A 21 -7.808 2.078 -5.509 1.00 4.11 H new ATOM 0 HD12 LEU A 21 -6.524 0.965 -6.037 1.00 4.11 H new ATOM 0 HD13 LEU A 21 -7.570 1.752 -7.242 1.00 4.11 H new ATOM 0 HD21 LEU A 21 -10.198 1.376 -5.560 1.00 75.20 H new ATOM 0 HD22 LEU A 21 -10.152 0.997 -7.298 1.00 75.20 H new ATOM 0 HD23 LEU A 21 -10.661 -0.245 -6.130 1.00 75.20 H new ATOM 357 N LEU A 22 -7.856 -4.171 -7.962 1.00 14.41 N ATOM 358 CA LEU A 22 -7.357 -5.224 -8.859 1.00 1.21 C ATOM 359 C LEU A 22 -8.503 -6.168 -9.282 1.00 1.24 C ATOM 360 O LEU A 22 -8.738 -6.364 -10.480 1.00 3.03 O ATOM 361 CB LEU A 22 -6.211 -6.019 -8.182 1.00 1.12 C ATOM 362 CG LEU A 22 -5.552 -7.144 -9.051 1.00 22.12 C ATOM 363 CD1 LEU A 22 -4.896 -6.582 -10.336 1.00 62.42 C ATOM 364 CD2 LEU A 22 -4.542 -7.950 -8.218 1.00 5.42 C ATOM 0 H LEU A 22 -7.503 -4.245 -7.008 1.00 14.41 H new ATOM 0 HA LEU A 22 -6.959 -4.750 -9.756 1.00 1.21 H new ATOM 0 HB2 LEU A 22 -5.434 -5.315 -7.883 1.00 1.12 H new ATOM 0 HB3 LEU A 22 -6.599 -6.472 -7.270 1.00 1.12 H new ATOM 0 HG LEU A 22 -6.348 -7.815 -9.372 1.00 22.12 H new ATOM 0 HD11 LEU A 22 -4.453 -7.399 -10.905 1.00 62.42 H new ATOM 0 HD12 LEU A 22 -5.653 -6.085 -10.943 1.00 62.42 H new ATOM 0 HD13 LEU A 22 -4.120 -5.866 -10.065 1.00 62.42 H new ATOM 0 HD21 LEU A 22 -4.095 -8.726 -8.839 1.00 5.42 H new ATOM 0 HD22 LEU A 22 -3.761 -7.285 -7.850 1.00 5.42 H new ATOM 0 HD23 LEU A 22 -5.053 -8.411 -7.373 1.00 5.42 H new ATOM 376 N GLU A 23 -9.225 -6.711 -8.276 1.00 22.22 N ATOM 377 CA GLU A 23 -10.374 -7.622 -8.483 1.00 20.41 C ATOM 378 C GLU A 23 -11.437 -6.957 -9.376 1.00 3.22 C ATOM 379 O GLU A 23 -11.894 -7.543 -10.355 1.00 41.43 O ATOM 380 CB GLU A 23 -11.012 -7.998 -7.120 1.00 43.42 C ATOM 381 CG GLU A 23 -10.084 -8.744 -6.141 1.00 54.12 C ATOM 382 CD GLU A 23 -10.705 -8.881 -4.741 1.00 12.13 C ATOM 383 OE1 GLU A 23 -10.483 -7.990 -3.889 1.00 23.30 O ATOM 384 OE2 GLU A 23 -11.450 -9.861 -4.496 1.00 3.30 O ATOM 0 H GLU A 23 -9.026 -6.529 -7.292 1.00 22.22 H new ATOM 0 HA GLU A 23 -10.009 -8.524 -8.974 1.00 20.41 H new ATOM 0 HB2 GLU A 23 -11.363 -7.086 -6.638 1.00 43.42 H new ATOM 0 HB3 GLU A 23 -11.889 -8.618 -7.307 1.00 43.42 H new ATOM 0 HG2 GLU A 23 -9.863 -9.735 -6.537 1.00 54.12 H new ATOM 0 HG3 GLU A 23 -9.136 -8.212 -6.065 1.00 54.12 H new ATOM 391 N LEU A 24 -11.766 -5.700 -9.027 1.00 32.10 N ATOM 392 CA LEU A 24 -12.800 -4.903 -9.704 1.00 12.03 C ATOM 393 C LEU A 24 -12.389 -4.582 -11.151 1.00 14.01 C ATOM 394 O LEU A 24 -13.230 -4.568 -12.030 1.00 40.42 O ATOM 395 CB LEU A 24 -13.091 -3.609 -8.890 1.00 43.20 C ATOM 396 CG LEU A 24 -13.705 -3.839 -7.470 1.00 43.42 C ATOM 397 CD1 LEU A 24 -13.742 -2.532 -6.645 1.00 35.12 C ATOM 398 CD2 LEU A 24 -15.096 -4.488 -7.570 1.00 55.05 C ATOM 0 H LEU A 24 -11.315 -5.205 -8.258 1.00 32.10 H new ATOM 0 HA LEU A 24 -13.719 -5.487 -9.754 1.00 12.03 H new ATOM 0 HB2 LEU A 24 -12.161 -3.051 -8.780 1.00 43.20 H new ATOM 0 HB3 LEU A 24 -13.772 -2.982 -9.466 1.00 43.20 H new ATOM 0 HG LEU A 24 -13.054 -4.532 -6.936 1.00 43.42 H new ATOM 0 HD11 LEU A 24 -14.175 -2.732 -5.665 1.00 35.12 H new ATOM 0 HD12 LEU A 24 -12.728 -2.150 -6.523 1.00 35.12 H new ATOM 0 HD13 LEU A 24 -14.349 -1.791 -7.165 1.00 35.12 H new ATOM 0 HD21 LEU A 24 -15.501 -4.637 -6.569 1.00 55.05 H new ATOM 0 HD22 LEU A 24 -15.761 -3.837 -8.137 1.00 55.05 H new ATOM 0 HD23 LEU A 24 -15.013 -5.450 -8.075 1.00 55.05 H new ATOM 410 N ALA A 25 -11.086 -4.361 -11.384 1.00 11.11 N ATOM 411 CA ALA A 25 -10.540 -4.140 -12.744 1.00 30.51 C ATOM 412 C ALA A 25 -10.696 -5.396 -13.619 1.00 52.12 C ATOM 413 O ALA A 25 -11.011 -5.307 -14.809 1.00 62.31 O ATOM 414 CB ALA A 25 -9.070 -3.735 -12.660 1.00 63.31 C ATOM 0 H ALA A 25 -10.382 -4.329 -10.647 1.00 11.11 H new ATOM 0 HA ALA A 25 -11.107 -3.334 -13.209 1.00 30.51 H new ATOM 0 HB1 ALA A 25 -8.679 -3.575 -13.665 1.00 63.31 H new ATOM 0 HB2 ALA A 25 -8.979 -2.814 -12.084 1.00 63.31 H new ATOM 0 HB3 ALA A 25 -8.502 -4.526 -12.171 1.00 63.31 H new ATOM 420 N GLN A 26 -10.481 -6.566 -12.990 1.00 11.44 N ATOM 421 CA GLN A 26 -10.635 -7.885 -13.643 1.00 45.10 C ATOM 422 C GLN A 26 -12.122 -8.209 -13.912 1.00 75.10 C ATOM 423 O GLN A 26 -12.446 -8.960 -14.836 1.00 12.13 O ATOM 424 CB GLN A 26 -9.982 -8.973 -12.755 1.00 52.31 C ATOM 425 CG GLN A 26 -8.462 -8.779 -12.554 1.00 41.25 C ATOM 426 CD GLN A 26 -7.833 -9.733 -11.535 1.00 51.13 C ATOM 427 OE1 GLN A 26 -8.479 -10.170 -10.579 1.00 25.14 O ATOM 428 NE2 GLN A 26 -6.568 -10.049 -11.728 1.00 75.01 N ATOM 0 H GLN A 26 -10.195 -6.627 -12.013 1.00 11.44 H new ATOM 0 HA GLN A 26 -10.133 -7.861 -14.610 1.00 45.10 H new ATOM 0 HB2 GLN A 26 -10.471 -8.977 -11.781 1.00 52.31 H new ATOM 0 HB3 GLN A 26 -10.159 -9.950 -13.204 1.00 52.31 H new ATOM 0 HG2 GLN A 26 -7.961 -8.910 -13.513 1.00 41.25 H new ATOM 0 HG3 GLN A 26 -8.278 -7.753 -12.235 1.00 41.25 H new ATOM 0 HE21 GLN A 26 -6.064 -9.669 -12.529 1.00 75.01 H new ATOM 0 HE22 GLN A 26 -6.093 -10.673 -11.076 1.00 75.01 H new ATOM 437 N ARG A 27 -13.012 -7.642 -13.076 1.00 2.35 N ATOM 438 CA ARG A 27 -14.475 -7.709 -13.278 1.00 45.43 C ATOM 439 C ARG A 27 -14.918 -6.698 -14.359 1.00 44.25 C ATOM 440 O ARG A 27 -15.917 -6.910 -15.045 1.00 43.35 O ATOM 441 CB ARG A 27 -15.209 -7.397 -11.942 1.00 64.23 C ATOM 442 CG ARG A 27 -14.890 -8.375 -10.787 1.00 4.45 C ATOM 443 CD ARG A 27 -15.498 -7.948 -9.431 1.00 41.24 C ATOM 444 NE ARG A 27 -14.984 -8.761 -8.305 1.00 50.43 N ATOM 445 CZ ARG A 27 -15.244 -8.535 -7.000 1.00 12.11 C ATOM 446 NH1 ARG A 27 -16.030 -7.525 -6.615 1.00 63.35 N ATOM 447 NH2 ARG A 27 -14.722 -9.338 -6.076 1.00 51.42 N ATOM 0 H ARG A 27 -12.739 -7.124 -12.241 1.00 2.35 H new ATOM 0 HA ARG A 27 -14.733 -8.715 -13.608 1.00 45.43 H new ATOM 0 HB2 ARG A 27 -14.948 -6.387 -11.627 1.00 64.23 H new ATOM 0 HB3 ARG A 27 -16.284 -7.407 -12.123 1.00 64.23 H new ATOM 0 HG2 ARG A 27 -15.263 -9.366 -11.047 1.00 4.45 H new ATOM 0 HG3 ARG A 27 -13.808 -8.459 -10.681 1.00 4.45 H new ATOM 0 HD2 ARG A 27 -15.274 -6.897 -9.250 1.00 41.24 H new ATOM 0 HD3 ARG A 27 -16.583 -8.039 -9.477 1.00 41.24 H new ATOM 0 HE ARG A 27 -14.386 -9.555 -8.534 1.00 50.43 H new ATOM 0 HH11 ARG A 27 -16.446 -6.908 -7.313 1.00 63.35 H new ATOM 0 HH12 ARG A 27 -16.214 -7.371 -5.624 1.00 63.35 H new ATOM 0 HH21 ARG A 27 -14.129 -10.119 -6.356 1.00 51.42 H new ATOM 0 HH22 ARG A 27 -14.915 -9.172 -5.088 1.00 51.42 H new ATOM 461 N GLY A 28 -14.133 -5.615 -14.511 1.00 70.12 N ATOM 462 CA GLY A 28 -14.437 -4.532 -15.455 1.00 24.15 C ATOM 463 C GLY A 28 -15.170 -3.361 -14.815 1.00 35.20 C ATOM 464 O GLY A 28 -15.717 -2.514 -15.517 1.00 32.03 O ATOM 0 H GLY A 28 -13.273 -5.470 -13.982 1.00 70.12 H new ATOM 0 HA2 GLY A 28 -13.507 -4.172 -15.896 1.00 24.15 H new ATOM 0 HA3 GLY A 28 -15.043 -4.929 -16.269 1.00 24.15 H new ATOM 468 N GLU A 29 -15.187 -3.320 -13.476 1.00 70.53 N ATOM 469 CA GLU A 29 -15.790 -2.222 -12.691 1.00 61.21 C ATOM 470 C GLU A 29 -14.774 -1.060 -12.520 1.00 0.43 C ATOM 471 O GLU A 29 -14.432 -0.672 -11.389 1.00 4.11 O ATOM 472 CB GLU A 29 -16.252 -2.741 -11.292 1.00 44.13 C ATOM 473 CG GLU A 29 -16.878 -4.150 -11.256 1.00 1.11 C ATOM 474 CD GLU A 29 -18.054 -4.348 -12.226 1.00 3.34 C ATOM 475 OE1 GLU A 29 -19.107 -3.712 -12.026 1.00 33.42 O ATOM 476 OE2 GLU A 29 -17.937 -5.161 -13.178 1.00 23.53 O ATOM 0 H GLU A 29 -14.779 -4.054 -12.896 1.00 70.53 H new ATOM 0 HA GLU A 29 -16.661 -1.851 -13.231 1.00 61.21 H new ATOM 0 HB2 GLU A 29 -15.391 -2.732 -10.623 1.00 44.13 H new ATOM 0 HB3 GLU A 29 -16.977 -2.035 -10.888 1.00 44.13 H new ATOM 0 HG2 GLU A 29 -16.105 -4.883 -11.487 1.00 1.11 H new ATOM 0 HG3 GLU A 29 -17.221 -4.356 -10.242 1.00 1.11 H new ATOM 483 N TRP A 30 -14.319 -0.498 -13.657 1.00 73.14 N ATOM 484 CA TRP A 30 -13.309 0.590 -13.696 1.00 74.54 C ATOM 485 C TRP A 30 -13.841 1.881 -13.062 1.00 13.13 C ATOM 486 O TRP A 30 -13.048 2.735 -12.633 1.00 72.33 O ATOM 487 CB TRP A 30 -12.854 0.851 -15.152 1.00 53.33 C ATOM 488 CG TRP A 30 -12.168 -0.340 -15.787 1.00 34.23 C ATOM 489 CD1 TRP A 30 -12.726 -1.287 -16.601 1.00 23.15 C ATOM 490 CD2 TRP A 30 -10.790 -0.710 -15.636 1.00 22.23 C ATOM 491 NE1 TRP A 30 -11.781 -2.215 -16.960 1.00 3.14 N ATOM 492 CE2 TRP A 30 -10.587 -1.882 -16.387 1.00 15.42 C ATOM 493 CE3 TRP A 30 -9.709 -0.159 -14.943 1.00 71.35 C ATOM 494 CZ2 TRP A 30 -9.347 -2.507 -16.466 1.00 32.30 C ATOM 495 CZ3 TRP A 30 -8.480 -0.784 -15.019 1.00 63.35 C ATOM 496 CH2 TRP A 30 -8.307 -1.946 -15.775 1.00 61.12 C ATOM 0 H TRP A 30 -14.641 -0.784 -14.582 1.00 73.14 H new ATOM 0 HA TRP A 30 -12.450 0.264 -13.109 1.00 74.54 H new ATOM 0 HB2 TRP A 30 -13.721 1.125 -15.753 1.00 53.33 H new ATOM 0 HB3 TRP A 30 -12.174 1.703 -15.166 1.00 53.33 H new ATOM 0 HD1 TRP A 30 -13.759 -1.302 -16.915 1.00 23.15 H new ATOM 0 HE1 TRP A 30 -11.944 -3.024 -17.559 1.00 3.14 H new ATOM 0 HE3 TRP A 30 -9.833 0.740 -14.358 1.00 71.35 H new ATOM 0 HZ2 TRP A 30 -9.209 -3.404 -17.052 1.00 32.30 H new ATOM 0 HZ3 TRP A 30 -7.639 -0.368 -14.485 1.00 63.35 H new ATOM 0 HH2 TRP A 30 -7.333 -2.411 -15.815 1.00 61.12 H new ATOM 507 N ASP A 31 -15.184 2.010 -13.008 1.00 51.11 N ATOM 508 CA ASP A 31 -15.855 3.091 -12.272 1.00 51.24 C ATOM 509 C ASP A 31 -15.357 3.123 -10.821 1.00 21.13 C ATOM 510 O ASP A 31 -14.844 4.137 -10.363 1.00 52.41 O ATOM 511 CB ASP A 31 -17.399 2.916 -12.286 1.00 60.23 C ATOM 512 CG ASP A 31 -18.027 3.146 -13.669 1.00 34.21 C ATOM 513 OD1 ASP A 31 -18.313 4.312 -14.009 1.00 44.02 O ATOM 514 OD2 ASP A 31 -18.224 2.177 -14.431 1.00 12.44 O ATOM 0 H ASP A 31 -15.827 1.368 -13.473 1.00 51.11 H new ATOM 0 HA ASP A 31 -15.613 4.031 -12.768 1.00 51.24 H new ATOM 0 HB2 ASP A 31 -17.646 1.910 -11.946 1.00 60.23 H new ATOM 0 HB3 ASP A 31 -17.842 3.612 -11.574 1.00 60.23 H new ATOM 519 N LEU A 32 -15.442 1.952 -10.156 1.00 71.40 N ATOM 520 CA LEU A 32 -15.113 1.795 -8.727 1.00 73.20 C ATOM 521 C LEU A 32 -13.628 2.101 -8.454 1.00 34.30 C ATOM 522 O LEU A 32 -13.276 2.517 -7.347 1.00 32.50 O ATOM 523 CB LEU A 32 -15.477 0.367 -8.236 1.00 71.52 C ATOM 524 CG LEU A 32 -16.968 -0.074 -8.417 1.00 31.21 C ATOM 525 CD1 LEU A 32 -17.201 -1.493 -7.862 1.00 71.23 C ATOM 526 CD2 LEU A 32 -17.950 0.929 -7.777 1.00 73.53 C ATOM 0 H LEU A 32 -15.743 1.084 -10.600 1.00 71.40 H new ATOM 0 HA LEU A 32 -15.708 2.517 -8.168 1.00 73.20 H new ATOM 0 HB2 LEU A 32 -14.844 -0.347 -8.763 1.00 71.52 H new ATOM 0 HB3 LEU A 32 -15.226 0.296 -7.178 1.00 71.52 H new ATOM 0 HG LEU A 32 -17.166 -0.088 -9.489 1.00 31.21 H new ATOM 0 HD11 LEU A 32 -18.246 -1.771 -8.002 1.00 71.23 H new ATOM 0 HD12 LEU A 32 -16.563 -2.200 -8.392 1.00 71.23 H new ATOM 0 HD13 LEU A 32 -16.960 -1.512 -6.799 1.00 71.23 H new ATOM 0 HD21 LEU A 32 -18.973 0.583 -7.927 1.00 73.53 H new ATOM 0 HD22 LEU A 32 -17.746 1.007 -6.709 1.00 73.53 H new ATOM 0 HD23 LEU A 32 -17.826 1.907 -8.242 1.00 73.53 H new ATOM 538 N LEU A 33 -12.765 1.897 -9.477 1.00 34.54 N ATOM 539 CA LEU A 33 -11.335 2.265 -9.397 1.00 65.24 C ATOM 540 C LEU A 33 -11.175 3.792 -9.378 1.00 3.53 C ATOM 541 O LEU A 33 -10.585 4.335 -8.451 1.00 44.15 O ATOM 542 CB LEU A 33 -10.487 1.646 -10.551 1.00 34.24 C ATOM 543 CG LEU A 33 -10.095 0.144 -10.383 1.00 42.20 C ATOM 544 CD1 LEU A 33 -11.298 -0.797 -10.570 1.00 32.02 C ATOM 545 CD2 LEU A 33 -8.922 -0.229 -11.312 1.00 41.34 C ATOM 0 H LEU A 33 -13.036 1.479 -10.367 1.00 34.54 H new ATOM 0 HA LEU A 33 -10.954 1.849 -8.464 1.00 65.24 H new ATOM 0 HB2 LEU A 33 -11.043 1.754 -11.482 1.00 34.24 H new ATOM 0 HB3 LEU A 33 -9.573 2.230 -10.657 1.00 34.24 H new ATOM 0 HG LEU A 33 -9.758 0.010 -9.355 1.00 42.20 H new ATOM 0 HD11 LEU A 33 -10.975 -1.830 -10.444 1.00 32.02 H new ATOM 0 HD12 LEU A 33 -12.062 -0.563 -9.829 1.00 32.02 H new ATOM 0 HD13 LEU A 33 -11.711 -0.666 -11.570 1.00 32.02 H new ATOM 0 HD21 LEU A 33 -8.669 -1.280 -11.175 1.00 41.34 H new ATOM 0 HD22 LEU A 33 -9.210 -0.057 -12.349 1.00 41.34 H new ATOM 0 HD23 LEU A 33 -8.056 0.387 -11.070 1.00 41.34 H new ATOM 557 N LEU A 34 -11.750 4.462 -10.396 1.00 22.12 N ATOM 558 CA LEU A 34 -11.627 5.930 -10.576 1.00 41.21 C ATOM 559 C LEU A 34 -12.283 6.715 -9.412 1.00 24.32 C ATOM 560 O LEU A 34 -11.844 7.822 -9.074 1.00 31.30 O ATOM 561 CB LEU A 34 -12.248 6.350 -11.936 1.00 10.20 C ATOM 562 CG LEU A 34 -11.605 5.714 -13.215 1.00 30.05 C ATOM 563 CD1 LEU A 34 -12.331 6.176 -14.497 1.00 45.11 C ATOM 564 CD2 LEU A 34 -10.089 6.011 -13.295 1.00 23.42 C ATOM 0 H LEU A 34 -12.311 4.007 -11.116 1.00 22.12 H new ATOM 0 HA LEU A 34 -10.566 6.178 -10.572 1.00 41.21 H new ATOM 0 HB2 LEU A 34 -13.308 6.095 -11.922 1.00 10.20 H new ATOM 0 HB3 LEU A 34 -12.182 7.435 -12.022 1.00 10.20 H new ATOM 0 HG LEU A 34 -11.725 4.633 -13.136 1.00 30.05 H new ATOM 0 HD11 LEU A 34 -11.861 5.717 -15.367 1.00 45.11 H new ATOM 0 HD12 LEU A 34 -13.378 5.877 -14.450 1.00 45.11 H new ATOM 0 HD13 LEU A 34 -12.267 7.261 -14.580 1.00 45.11 H new ATOM 0 HD21 LEU A 34 -9.676 5.555 -14.195 1.00 23.42 H new ATOM 0 HD22 LEU A 34 -9.931 7.089 -13.329 1.00 23.42 H new ATOM 0 HD23 LEU A 34 -9.591 5.599 -12.418 1.00 23.42 H new ATOM 576 N GLN A 35 -13.321 6.110 -8.797 1.00 51.25 N ATOM 577 CA GLN A 35 -14.019 6.683 -7.629 1.00 21.02 C ATOM 578 C GLN A 35 -13.133 6.610 -6.378 1.00 63.02 C ATOM 579 O GLN A 35 -13.075 7.553 -5.605 1.00 24.24 O ATOM 580 CB GLN A 35 -15.353 5.942 -7.360 1.00 21.32 C ATOM 581 CG GLN A 35 -16.381 6.049 -8.504 1.00 72.34 C ATOM 582 CD GLN A 35 -17.587 5.129 -8.321 1.00 34.31 C ATOM 583 OE1 GLN A 35 -17.499 4.098 -7.661 1.00 33.35 O ATOM 584 NE2 GLN A 35 -18.699 5.455 -8.947 1.00 13.25 N ATOM 0 H GLN A 35 -13.698 5.211 -9.097 1.00 51.25 H new ATOM 0 HA GLN A 35 -14.235 7.727 -7.855 1.00 21.02 H new ATOM 0 HB2 GLN A 35 -15.139 4.889 -7.177 1.00 21.32 H new ATOM 0 HB3 GLN A 35 -15.799 6.340 -6.448 1.00 21.32 H new ATOM 0 HG2 GLN A 35 -16.727 7.080 -8.577 1.00 72.34 H new ATOM 0 HG3 GLN A 35 -15.890 5.810 -9.448 1.00 72.34 H new ATOM 0 HE21 GLN A 35 -18.745 6.318 -9.489 1.00 13.25 H new ATOM 0 HE22 GLN A 35 -19.514 4.845 -8.890 1.00 13.25 H new ATOM 593 N GLN A 36 -12.467 5.462 -6.182 1.00 34.52 N ATOM 594 CA GLN A 36 -11.602 5.218 -5.005 1.00 71.40 C ATOM 595 C GLN A 36 -10.172 5.746 -5.210 1.00 50.14 C ATOM 596 O GLN A 36 -9.420 5.854 -4.242 1.00 24.04 O ATOM 597 CB GLN A 36 -11.575 3.701 -4.650 1.00 61.53 C ATOM 598 CG GLN A 36 -12.939 3.132 -4.197 1.00 40.41 C ATOM 599 CD GLN A 36 -13.546 3.864 -2.993 1.00 52.22 C ATOM 600 OE1 GLN A 36 -12.835 4.382 -2.140 1.00 1.41 O ATOM 601 NE2 GLN A 36 -14.865 3.907 -2.907 1.00 0.11 N ATOM 0 H GLN A 36 -12.509 4.675 -6.830 1.00 34.52 H new ATOM 0 HA GLN A 36 -12.034 5.772 -4.172 1.00 71.40 H new ATOM 0 HB2 GLN A 36 -11.232 3.142 -5.520 1.00 61.53 H new ATOM 0 HB3 GLN A 36 -10.845 3.538 -3.858 1.00 61.53 H new ATOM 0 HG2 GLN A 36 -13.638 3.182 -5.031 1.00 40.41 H new ATOM 0 HG3 GLN A 36 -12.817 2.078 -3.946 1.00 40.41 H new ATOM 0 HE21 GLN A 36 -15.438 3.469 -3.629 1.00 0.11 H new ATOM 0 HE22 GLN A 36 -15.310 4.378 -2.119 1.00 0.11 H new ATOM 610 N GLU A 37 -9.826 6.058 -6.474 1.00 40.55 N ATOM 611 CA GLU A 37 -8.469 6.452 -6.911 1.00 44.42 C ATOM 612 C GLU A 37 -7.885 7.597 -6.063 1.00 34.34 C ATOM 613 O GLU A 37 -6.826 7.438 -5.457 1.00 32.22 O ATOM 614 CB GLU A 37 -8.512 6.853 -8.413 1.00 41.12 C ATOM 615 CG GLU A 37 -7.149 7.194 -9.035 1.00 11.04 C ATOM 616 CD GLU A 37 -7.252 7.571 -10.522 1.00 54.35 C ATOM 617 OE1 GLU A 37 -7.126 6.676 -11.388 1.00 43.41 O ATOM 618 OE2 GLU A 37 -7.458 8.766 -10.827 1.00 72.34 O ATOM 0 H GLU A 37 -10.499 6.043 -7.241 1.00 40.55 H new ATOM 0 HA GLU A 37 -7.810 5.595 -6.772 1.00 44.42 H new ATOM 0 HB2 GLU A 37 -8.958 6.035 -8.979 1.00 41.12 H new ATOM 0 HB3 GLU A 37 -9.171 7.714 -8.525 1.00 41.12 H new ATOM 0 HG2 GLU A 37 -6.700 8.021 -8.485 1.00 11.04 H new ATOM 0 HG3 GLU A 37 -6.481 6.340 -8.927 1.00 11.04 H new ATOM 625 N VAL A 38 -8.619 8.725 -5.987 1.00 51.32 N ATOM 626 CA VAL A 38 -8.146 9.941 -5.295 1.00 43.21 C ATOM 627 C VAL A 38 -7.932 9.676 -3.790 1.00 12.42 C ATOM 628 O VAL A 38 -6.900 10.052 -3.242 1.00 42.10 O ATOM 629 CB VAL A 38 -9.127 11.158 -5.497 1.00 13.20 C ATOM 630 CG1 VAL A 38 -8.623 12.427 -4.765 1.00 54.20 C ATOM 631 CG2 VAL A 38 -9.356 11.441 -6.999 1.00 43.11 C ATOM 0 H VAL A 38 -9.547 8.819 -6.399 1.00 51.32 H new ATOM 0 HA VAL A 38 -7.190 10.206 -5.745 1.00 43.21 H new ATOM 0 HB VAL A 38 -10.084 10.883 -5.053 1.00 13.20 H new ATOM 0 HG11 VAL A 38 -9.326 13.244 -4.928 1.00 54.20 H new ATOM 0 HG12 VAL A 38 -8.544 12.224 -3.697 1.00 54.20 H new ATOM 0 HG13 VAL A 38 -7.644 12.707 -5.154 1.00 54.20 H new ATOM 0 HG21 VAL A 38 -10.036 12.285 -7.111 1.00 43.11 H new ATOM 0 HG22 VAL A 38 -8.404 11.677 -7.474 1.00 43.11 H new ATOM 0 HG23 VAL A 38 -9.789 10.560 -7.473 1.00 43.11 H new ATOM 641 N SER A 39 -8.893 8.984 -3.149 1.00 11.03 N ATOM 642 CA SER A 39 -8.836 8.675 -1.702 1.00 1.42 C ATOM 643 C SER A 39 -7.664 7.730 -1.385 1.00 63.13 C ATOM 644 O SER A 39 -6.972 7.894 -0.370 1.00 25.02 O ATOM 645 CB SER A 39 -10.173 8.052 -1.239 1.00 24.35 C ATOM 646 OG SER A 39 -11.248 8.960 -1.436 1.00 53.41 O ATOM 0 H SER A 39 -9.727 8.624 -3.613 1.00 11.03 H new ATOM 0 HA SER A 39 -8.673 9.606 -1.159 1.00 1.42 H new ATOM 0 HB2 SER A 39 -10.362 7.132 -1.793 1.00 24.35 H new ATOM 0 HB3 SER A 39 -10.108 7.782 -0.185 1.00 24.35 H new ATOM 0 HG SER A 39 -12.085 8.546 -1.138 1.00 53.41 H new ATOM 652 N TYR A 40 -7.441 6.767 -2.296 1.00 51.13 N ATOM 653 CA TYR A 40 -6.387 5.756 -2.164 1.00 51.21 C ATOM 654 C TYR A 40 -4.994 6.405 -2.254 1.00 51.32 C ATOM 655 O TYR A 40 -4.168 6.220 -1.354 1.00 32.04 O ATOM 656 CB TYR A 40 -6.555 4.653 -3.250 1.00 13.43 C ATOM 657 CG TYR A 40 -5.385 3.666 -3.312 1.00 21.53 C ATOM 658 CD1 TYR A 40 -5.087 2.835 -2.231 1.00 61.02 C ATOM 659 CD2 TYR A 40 -4.557 3.585 -4.433 1.00 4.53 C ATOM 660 CE1 TYR A 40 -4.019 1.971 -2.267 1.00 54.44 C ATOM 661 CE2 TYR A 40 -3.490 2.717 -4.467 1.00 74.03 C ATOM 662 CZ TYR A 40 -3.224 1.914 -3.380 1.00 34.51 C ATOM 663 OH TYR A 40 -2.159 1.045 -3.404 1.00 2.34 O ATOM 0 H TYR A 40 -7.993 6.671 -3.149 1.00 51.13 H new ATOM 0 HA TYR A 40 -6.478 5.289 -1.183 1.00 51.21 H new ATOM 0 HB2 TYR A 40 -7.474 4.101 -3.055 1.00 13.43 H new ATOM 0 HB3 TYR A 40 -6.669 5.129 -4.224 1.00 13.43 H new ATOM 0 HD1 TYR A 40 -5.708 2.872 -1.348 1.00 61.02 H new ATOM 0 HD2 TYR A 40 -4.757 4.214 -5.288 1.00 4.53 H new ATOM 0 HE1 TYR A 40 -3.807 1.338 -1.418 1.00 54.44 H new ATOM 0 HE2 TYR A 40 -2.862 2.665 -5.344 1.00 74.03 H new ATOM 0 HH TYR A 40 -1.393 1.478 -3.836 1.00 2.34 H new ATOM 673 N LEU A 41 -4.754 7.160 -3.351 1.00 62.05 N ATOM 674 CA LEU A 41 -3.454 7.809 -3.614 1.00 72.34 C ATOM 675 C LEU A 41 -3.128 8.830 -2.502 1.00 12.42 C ATOM 676 O LEU A 41 -1.983 8.916 -2.035 1.00 13.44 O ATOM 677 CB LEU A 41 -3.440 8.473 -5.021 1.00 72.02 C ATOM 678 CG LEU A 41 -3.746 7.531 -6.239 1.00 41.33 C ATOM 679 CD1 LEU A 41 -3.653 8.297 -7.579 1.00 54.22 C ATOM 680 CD2 LEU A 41 -2.839 6.279 -6.242 1.00 64.20 C ATOM 0 H LEU A 41 -5.453 7.334 -4.073 1.00 62.05 H new ATOM 0 HA LEU A 41 -2.676 7.045 -3.607 1.00 72.34 H new ATOM 0 HB2 LEU A 41 -4.169 9.283 -5.024 1.00 72.02 H new ATOM 0 HB3 LEU A 41 -2.460 8.925 -5.176 1.00 72.02 H new ATOM 0 HG LEU A 41 -4.773 7.183 -6.126 1.00 41.33 H new ATOM 0 HD11 LEU A 41 -3.870 7.617 -8.403 1.00 54.22 H new ATOM 0 HD12 LEU A 41 -4.375 9.113 -7.582 1.00 54.22 H new ATOM 0 HD13 LEU A 41 -2.648 8.701 -7.698 1.00 54.22 H new ATOM 0 HD21 LEU A 41 -3.084 5.654 -7.101 1.00 64.20 H new ATOM 0 HD22 LEU A 41 -1.795 6.586 -6.302 1.00 64.20 H new ATOM 0 HD23 LEU A 41 -2.998 5.712 -5.324 1.00 64.20 H new ATOM 692 N GLN A 42 -4.176 9.545 -2.049 1.00 5.13 N ATOM 693 CA GLN A 42 -4.110 10.489 -0.918 1.00 14.15 C ATOM 694 C GLN A 42 -3.523 9.797 0.321 1.00 63.41 C ATOM 695 O GLN A 42 -2.465 10.211 0.834 1.00 40.43 O ATOM 696 CB GLN A 42 -5.537 11.025 -0.625 1.00 55.23 C ATOM 697 CG GLN A 42 -5.626 12.124 0.447 1.00 3.32 C ATOM 698 CD GLN A 42 -7.056 12.615 0.690 1.00 51.32 C ATOM 699 OE1 GLN A 42 -7.910 12.581 -0.201 1.00 1.11 O ATOM 700 NE2 GLN A 42 -7.324 13.094 1.891 1.00 25.14 N ATOM 0 H GLN A 42 -5.105 9.482 -2.465 1.00 5.13 H new ATOM 0 HA GLN A 42 -3.458 11.324 -1.174 1.00 14.15 H new ATOM 0 HB2 GLN A 42 -5.958 11.412 -1.553 1.00 55.23 H new ATOM 0 HB3 GLN A 42 -6.164 10.189 -0.315 1.00 55.23 H new ATOM 0 HG2 GLN A 42 -5.215 11.744 1.382 1.00 3.32 H new ATOM 0 HG3 GLN A 42 -5.005 12.968 0.146 1.00 3.32 H new ATOM 0 HE21 GLN A 42 -6.598 13.109 2.608 1.00 25.14 H new ATOM 0 HE22 GLN A 42 -8.257 13.449 2.102 1.00 25.14 H new ATOM 709 N SER A 43 -4.191 8.695 0.726 1.00 63.32 N ATOM 710 CA SER A 43 -3.787 7.885 1.881 1.00 43.31 C ATOM 711 C SER A 43 -2.315 7.435 1.766 1.00 73.40 C ATOM 712 O SER A 43 -1.482 7.851 2.573 1.00 65.21 O ATOM 713 CB SER A 43 -4.714 6.655 2.029 1.00 50.32 C ATOM 714 OG SER A 43 -6.067 7.047 2.215 1.00 23.31 O ATOM 0 H SER A 43 -5.027 8.347 0.256 1.00 63.32 H new ATOM 0 HA SER A 43 -3.879 8.507 2.772 1.00 43.31 H new ATOM 0 HB2 SER A 43 -4.634 6.028 1.141 1.00 50.32 H new ATOM 0 HB3 SER A 43 -4.388 6.051 2.876 1.00 50.32 H new ATOM 0 HG SER A 43 -6.439 7.352 1.361 1.00 23.31 H new ATOM 720 N ILE A 44 -2.006 6.671 0.697 1.00 45.25 N ATOM 721 CA ILE A 44 -0.723 5.951 0.547 1.00 1.30 C ATOM 722 C ILE A 44 0.498 6.891 0.549 1.00 41.44 C ATOM 723 O ILE A 44 1.523 6.601 1.217 1.00 10.32 O ATOM 724 CB ILE A 44 -0.745 5.011 -0.729 1.00 62.21 C ATOM 725 CG1 ILE A 44 0.544 4.141 -0.842 1.00 4.33 C ATOM 726 CG2 ILE A 44 -0.973 5.799 -2.031 1.00 12.15 C ATOM 727 CD1 ILE A 44 0.485 3.087 -1.943 1.00 3.41 C ATOM 0 H ILE A 44 -2.641 6.536 -0.089 1.00 45.25 H new ATOM 0 HA ILE A 44 -0.611 5.319 1.428 1.00 1.30 H new ATOM 0 HB ILE A 44 -1.593 4.341 -0.590 1.00 62.21 H new ATOM 0 HG12 ILE A 44 1.397 4.795 -1.024 1.00 4.33 H new ATOM 0 HG13 ILE A 44 0.721 3.645 0.113 1.00 4.33 H new ATOM 0 HG21 ILE A 44 -0.980 5.111 -2.876 1.00 12.15 H new ATOM 0 HG22 ILE A 44 -1.929 6.319 -1.979 1.00 12.15 H new ATOM 0 HG23 ILE A 44 -0.171 6.526 -2.161 1.00 12.15 H new ATOM 0 HD11 ILE A 44 1.418 2.524 -1.958 1.00 3.41 H new ATOM 0 HD12 ILE A 44 -0.346 2.408 -1.752 1.00 3.41 H new ATOM 0 HD13 ILE A 44 0.341 3.575 -2.907 1.00 3.41 H new ATOM 739 N GLU A 45 0.369 8.047 -0.133 1.00 43.44 N ATOM 740 CA GLU A 45 1.452 9.039 -0.165 1.00 45.22 C ATOM 741 C GLU A 45 1.640 9.662 1.223 1.00 75.22 C ATOM 742 O GLU A 45 2.769 9.744 1.712 1.00 74.05 O ATOM 743 CB GLU A 45 1.198 10.119 -1.237 1.00 2.22 C ATOM 744 CG GLU A 45 0.990 9.556 -2.661 1.00 43.33 C ATOM 745 CD GLU A 45 2.094 8.593 -3.121 1.00 40.30 C ATOM 746 OE1 GLU A 45 1.857 7.357 -3.125 1.00 24.14 O ATOM 747 OE2 GLU A 45 3.198 9.069 -3.479 1.00 51.15 O ATOM 0 H GLU A 45 -0.463 8.310 -0.661 1.00 43.44 H new ATOM 0 HA GLU A 45 2.375 8.528 -0.440 1.00 45.22 H new ATOM 0 HB2 GLU A 45 0.318 10.697 -0.954 1.00 2.22 H new ATOM 0 HB3 GLU A 45 2.042 10.809 -1.250 1.00 2.22 H new ATOM 0 HG2 GLU A 45 0.032 9.038 -2.699 1.00 43.33 H new ATOM 0 HG3 GLU A 45 0.931 10.387 -3.364 1.00 43.33 H new ATOM 754 N THR A 46 0.515 10.043 1.876 1.00 14.15 N ATOM 755 CA THR A 46 0.544 10.632 3.235 1.00 1.40 C ATOM 756 C THR A 46 1.126 9.641 4.290 1.00 2.42 C ATOM 757 O THR A 46 1.688 10.075 5.305 1.00 23.13 O ATOM 758 CB THR A 46 -0.882 11.126 3.660 1.00 42.32 C ATOM 759 OG1 THR A 46 -1.392 12.026 2.662 1.00 31.24 O ATOM 760 CG2 THR A 46 -0.890 11.847 5.024 1.00 5.20 C ATOM 0 H THR A 46 -0.422 9.953 1.483 1.00 14.15 H new ATOM 0 HA THR A 46 1.211 11.493 3.199 1.00 1.40 H new ATOM 0 HB THR A 46 -1.508 10.239 3.753 1.00 42.32 H new ATOM 0 HG1 THR A 46 -1.807 11.511 1.938 1.00 31.24 H new ATOM 0 HG21 THR A 46 -1.905 12.165 5.262 1.00 5.20 H new ATOM 0 HG22 THR A 46 -0.532 11.167 5.797 1.00 5.20 H new ATOM 0 HG23 THR A 46 -0.238 12.720 4.978 1.00 5.20 H new ATOM 768 N VAL A 47 1.006 8.312 4.029 1.00 53.20 N ATOM 769 CA VAL A 47 1.594 7.264 4.906 1.00 1.31 C ATOM 770 C VAL A 47 3.126 7.237 4.761 1.00 4.32 C ATOM 771 O VAL A 47 3.847 7.196 5.763 1.00 72.10 O ATOM 772 CB VAL A 47 1.024 5.820 4.611 1.00 3.21 C ATOM 773 CG1 VAL A 47 1.622 4.756 5.567 1.00 13.40 C ATOM 774 CG2 VAL A 47 -0.507 5.795 4.690 1.00 50.02 C ATOM 0 H VAL A 47 0.508 7.942 3.219 1.00 53.20 H new ATOM 0 HA VAL A 47 1.314 7.530 5.925 1.00 1.31 H new ATOM 0 HB VAL A 47 1.324 5.569 3.594 1.00 3.21 H new ATOM 0 HG11 VAL A 47 1.204 3.778 5.330 1.00 13.40 H new ATOM 0 HG12 VAL A 47 2.705 4.726 5.447 1.00 13.40 H new ATOM 0 HG13 VAL A 47 1.378 5.015 6.597 1.00 13.40 H new ATOM 0 HG21 VAL A 47 -0.866 4.787 4.482 1.00 50.02 H new ATOM 0 HG22 VAL A 47 -0.825 6.094 5.689 1.00 50.02 H new ATOM 0 HG23 VAL A 47 -0.921 6.486 3.956 1.00 50.02 H new ATOM 784 N MET A 48 3.615 7.261 3.501 1.00 12.45 N ATOM 785 CA MET A 48 5.076 7.265 3.221 1.00 43.31 C ATOM 786 C MET A 48 5.743 8.585 3.673 1.00 52.34 C ATOM 787 O MET A 48 6.938 8.611 3.988 1.00 34.34 O ATOM 788 CB MET A 48 5.358 6.995 1.721 1.00 24.01 C ATOM 789 CG MET A 48 4.935 5.600 1.228 1.00 55.30 C ATOM 790 SD MET A 48 5.439 5.297 -0.482 1.00 24.13 S ATOM 791 CE MET A 48 4.555 6.594 -1.344 1.00 72.03 C ATOM 0 H MET A 48 3.029 7.278 2.666 1.00 12.45 H new ATOM 0 HA MET A 48 5.517 6.456 3.803 1.00 43.31 H new ATOM 0 HB2 MET A 48 4.840 7.748 1.127 1.00 24.01 H new ATOM 0 HB3 MET A 48 6.425 7.122 1.537 1.00 24.01 H new ATOM 0 HG2 MET A 48 5.374 4.840 1.874 1.00 55.30 H new ATOM 0 HG3 MET A 48 3.853 5.501 1.309 1.00 55.30 H new ATOM 0 HE1 MET A 48 4.639 6.438 -2.420 1.00 72.03 H new ATOM 0 HE2 MET A 48 3.504 6.572 -1.055 1.00 72.03 H new ATOM 0 HE3 MET A 48 4.983 7.562 -1.083 1.00 72.03 H new ATOM 801 N GLU A 49 4.951 9.670 3.708 1.00 41.54 N ATOM 802 CA GLU A 49 5.391 10.991 4.206 1.00 25.45 C ATOM 803 C GLU A 49 5.324 11.057 5.743 1.00 1.42 C ATOM 804 O GLU A 49 5.970 11.907 6.363 1.00 24.14 O ATOM 805 CB GLU A 49 4.510 12.105 3.593 1.00 43.33 C ATOM 806 CG GLU A 49 4.652 12.280 2.066 1.00 15.32 C ATOM 807 CD GLU A 49 3.694 13.345 1.518 1.00 70.14 C ATOM 808 OE1 GLU A 49 4.002 14.549 1.646 1.00 30.53 O ATOM 809 OE2 GLU A 49 2.620 12.994 0.981 1.00 15.22 O ATOM 0 H GLU A 49 3.982 9.659 3.391 1.00 41.54 H new ATOM 0 HA GLU A 49 6.428 11.139 3.904 1.00 25.45 H new ATOM 0 HB2 GLU A 49 3.466 11.891 3.824 1.00 43.33 H new ATOM 0 HB3 GLU A 49 4.756 13.050 4.077 1.00 43.33 H new ATOM 0 HG2 GLU A 49 5.678 12.558 1.827 1.00 15.32 H new ATOM 0 HG3 GLU A 49 4.457 11.328 1.572 1.00 15.32 H new ATOM 816 N LYS A 50 4.522 10.164 6.340 1.00 50.41 N ATOM 817 CA LYS A 50 4.340 10.096 7.796 1.00 42.22 C ATOM 818 C LYS A 50 5.580 9.440 8.434 1.00 55.04 C ATOM 819 O LYS A 50 6.100 8.448 7.893 1.00 54.24 O ATOM 820 CB LYS A 50 3.039 9.300 8.121 1.00 72.34 C ATOM 821 CG LYS A 50 2.496 9.475 9.554 1.00 61.42 C ATOM 822 CD LYS A 50 2.091 10.933 9.908 1.00 21.11 C ATOM 823 CE LYS A 50 0.935 11.509 9.049 1.00 31.42 C ATOM 824 NZ LYS A 50 1.354 11.917 7.674 1.00 5.54 N ATOM 0 H LYS A 50 3.981 9.468 5.826 1.00 50.41 H new ATOM 0 HA LYS A 50 4.234 11.098 8.211 1.00 42.22 H new ATOM 0 HB2 LYS A 50 2.263 9.602 7.417 1.00 72.34 H new ATOM 0 HB3 LYS A 50 3.229 8.240 7.950 1.00 72.34 H new ATOM 0 HG2 LYS A 50 1.629 8.827 9.684 1.00 61.42 H new ATOM 0 HG3 LYS A 50 3.254 9.138 10.261 1.00 61.42 H new ATOM 0 HD2 LYS A 50 1.800 10.970 10.958 1.00 21.11 H new ATOM 0 HD3 LYS A 50 2.964 11.576 9.796 1.00 21.11 H new ATOM 0 HE2 LYS A 50 0.145 10.762 8.972 1.00 31.42 H new ATOM 0 HE3 LYS A 50 0.509 12.372 9.561 1.00 31.42 H new ATOM 0 HZ1 LYS A 50 0.804 12.748 7.376 1.00 5.54 H new ATOM 0 HZ2 LYS A 50 2.366 12.155 7.676 1.00 5.54 H new ATOM 0 HZ3 LYS A 50 1.184 11.133 7.012 1.00 5.54 H new ATOM 838 N GLN A 51 6.063 10.014 9.554 1.00 40.45 N ATOM 839 CA GLN A 51 7.223 9.480 10.284 1.00 24.24 C ATOM 840 C GLN A 51 6.916 8.062 10.795 1.00 24.45 C ATOM 841 O GLN A 51 6.010 7.871 11.622 1.00 53.11 O ATOM 842 CB GLN A 51 7.609 10.415 11.464 1.00 40.42 C ATOM 843 CG GLN A 51 8.697 9.855 12.414 1.00 61.54 C ATOM 844 CD GLN A 51 9.061 10.786 13.581 1.00 25.35 C ATOM 845 OE1 GLN A 51 9.370 10.322 14.679 1.00 4.15 O ATOM 846 NE2 GLN A 51 9.088 12.093 13.342 1.00 64.15 N ATOM 0 H GLN A 51 5.662 10.853 9.973 1.00 40.45 H new ATOM 0 HA GLN A 51 8.071 9.431 9.601 1.00 24.24 H new ATOM 0 HB2 GLN A 51 7.957 11.364 11.057 1.00 40.42 H new ATOM 0 HB3 GLN A 51 6.713 10.628 12.047 1.00 40.42 H new ATOM 0 HG2 GLN A 51 8.354 8.903 12.818 1.00 61.54 H new ATOM 0 HG3 GLN A 51 9.597 9.650 11.835 1.00 61.54 H new ATOM 0 HE21 GLN A 51 8.827 12.449 12.422 1.00 64.15 H new ATOM 0 HE22 GLN A 51 9.370 12.740 14.078 1.00 64.15 H new ATOM 855 N THR A 52 7.642 7.074 10.247 1.00 20.45 N ATOM 856 CA THR A 52 7.575 5.686 10.705 1.00 22.13 C ATOM 857 C THR A 52 8.116 5.587 12.157 1.00 23.02 C ATOM 858 O THR A 52 9.207 6.107 12.436 1.00 51.05 O ATOM 859 CB THR A 52 8.390 4.749 9.755 1.00 74.22 C ATOM 860 OG1 THR A 52 7.858 4.842 8.417 1.00 22.42 O ATOM 861 CG2 THR A 52 8.360 3.279 10.229 1.00 34.14 C ATOM 0 H THR A 52 8.291 7.220 9.474 1.00 20.45 H new ATOM 0 HA THR A 52 6.535 5.361 10.688 1.00 22.13 H new ATOM 0 HB THR A 52 9.429 5.078 9.770 1.00 74.22 H new ATOM 0 HG1 THR A 52 8.369 4.256 7.820 1.00 22.42 H new ATOM 0 HG21 THR A 52 8.938 2.663 9.541 1.00 34.14 H new ATOM 0 HG22 THR A 52 8.791 3.210 11.228 1.00 34.14 H new ATOM 0 HG23 THR A 52 7.329 2.926 10.254 1.00 34.14 H new ATOM 869 N PRO A 53 7.345 4.958 13.106 1.00 44.13 N ATOM 870 CA PRO A 53 7.780 4.789 14.519 1.00 11.43 C ATOM 871 C PRO A 53 9.096 3.965 14.646 1.00 21.10 C ATOM 872 O PRO A 53 9.411 3.152 13.768 1.00 24.32 O ATOM 873 CB PRO A 53 6.570 4.054 15.171 1.00 13.21 C ATOM 874 CG PRO A 53 5.839 3.426 14.029 1.00 62.21 C ATOM 875 CD PRO A 53 5.986 4.393 12.889 1.00 2.20 C ATOM 0 HA PRO A 53 8.019 5.737 15.000 1.00 11.43 H new ATOM 0 HB2 PRO A 53 6.904 3.303 15.887 1.00 13.21 H new ATOM 0 HB3 PRO A 53 5.931 4.750 15.714 1.00 13.21 H new ATOM 0 HG2 PRO A 53 6.262 2.453 13.778 1.00 62.21 H new ATOM 0 HG3 PRO A 53 4.790 3.263 14.275 1.00 62.21 H new ATOM 0 HD2 PRO A 53 5.905 3.894 11.923 1.00 2.20 H new ATOM 0 HD3 PRO A 53 5.218 5.166 12.914 1.00 2.20 H new ATOM 883 N PRO A 54 9.893 4.180 15.738 1.00 41.31 N ATOM 884 CA PRO A 54 11.162 3.448 15.972 1.00 33.04 C ATOM 885 C PRO A 54 10.946 2.050 16.601 1.00 24.12 C ATOM 886 O PRO A 54 11.511 1.061 16.130 1.00 71.24 O ATOM 887 CB PRO A 54 11.949 4.395 16.934 1.00 0.12 C ATOM 888 CG PRO A 54 11.099 5.632 17.088 1.00 40.30 C ATOM 889 CD PRO A 54 9.686 5.202 16.791 1.00 23.02 C ATOM 0 HA PRO A 54 11.690 3.237 15.042 1.00 33.04 H new ATOM 0 HB2 PRO A 54 12.120 3.917 17.898 1.00 0.12 H new ATOM 0 HB3 PRO A 54 12.928 4.643 16.523 1.00 0.12 H new ATOM 0 HG2 PRO A 54 11.180 6.038 18.096 1.00 40.30 H new ATOM 0 HG3 PRO A 54 11.421 6.415 16.402 1.00 40.30 H new ATOM 0 HD2 PRO A 54 9.192 4.789 17.670 1.00 23.02 H new ATOM 0 HD3 PRO A 54 9.072 6.031 16.440 1.00 23.02 H new ATOM 897 N GLY A 55 10.140 1.994 17.680 1.00 73.20 N ATOM 898 CA GLY A 55 9.927 0.759 18.438 1.00 3.42 C ATOM 899 C GLY A 55 8.946 -0.185 17.752 1.00 4.44 C ATOM 900 O GLY A 55 7.755 -0.213 18.087 1.00 55.13 O ATOM 0 H GLY A 55 9.627 2.797 18.042 1.00 73.20 H new ATOM 0 HA2 GLY A 55 10.881 0.250 18.573 1.00 3.42 H new ATOM 0 HA3 GLY A 55 9.554 1.006 19.432 1.00 3.42 H new ATOM 904 N ILE A 56 9.450 -0.936 16.763 1.00 11.31 N ATOM 905 CA ILE A 56 8.657 -1.892 15.968 1.00 51.31 C ATOM 906 C ILE A 56 9.271 -3.304 16.100 1.00 71.03 C ATOM 907 O ILE A 56 10.490 -3.435 16.177 1.00 32.31 O ATOM 908 CB ILE A 56 8.630 -1.466 14.455 1.00 33.53 C ATOM 909 CG1 ILE A 56 7.984 -0.058 14.273 1.00 1.04 C ATOM 910 CG2 ILE A 56 7.887 -2.513 13.611 1.00 33.43 C ATOM 911 CD1 ILE A 56 7.985 0.443 12.839 1.00 3.45 C ATOM 0 H ILE A 56 10.431 -0.898 16.487 1.00 11.31 H new ATOM 0 HA ILE A 56 7.634 -1.898 16.345 1.00 51.31 H new ATOM 0 HB ILE A 56 9.662 -1.408 14.108 1.00 33.53 H new ATOM 0 HG12 ILE A 56 6.956 -0.092 14.634 1.00 1.04 H new ATOM 0 HG13 ILE A 56 8.518 0.658 14.897 1.00 1.04 H new ATOM 0 HG21 ILE A 56 7.879 -2.200 12.567 1.00 33.43 H new ATOM 0 HG22 ILE A 56 8.392 -3.475 13.698 1.00 33.43 H new ATOM 0 HG23 ILE A 56 6.862 -2.608 13.969 1.00 33.43 H new ATOM 0 HD11 ILE A 56 7.519 1.427 12.797 1.00 3.45 H new ATOM 0 HD12 ILE A 56 9.011 0.512 12.478 1.00 3.45 H new ATOM 0 HD13 ILE A 56 7.425 -0.250 12.211 1.00 3.45 H new ATOM 923 N THR A 57 8.416 -4.353 16.129 1.00 2.23 N ATOM 924 CA THR A 57 8.855 -5.764 16.197 1.00 43.30 C ATOM 925 C THR A 57 8.809 -6.427 14.800 1.00 23.41 C ATOM 926 O THR A 57 8.241 -5.862 13.850 1.00 72.21 O ATOM 927 CB THR A 57 7.952 -6.566 17.193 1.00 54.24 C ATOM 928 OG1 THR A 57 6.593 -6.569 16.729 1.00 32.55 O ATOM 929 CG2 THR A 57 7.995 -5.969 18.608 1.00 24.14 C ATOM 0 H THR A 57 7.402 -4.243 16.106 1.00 2.23 H new ATOM 0 HA THR A 57 9.885 -5.779 16.554 1.00 43.30 H new ATOM 0 HB THR A 57 8.339 -7.584 17.236 1.00 54.24 H new ATOM 0 HG1 THR A 57 6.034 -7.074 17.356 1.00 32.55 H new ATOM 0 HG21 THR A 57 7.356 -6.554 19.269 1.00 24.14 H new ATOM 0 HG22 THR A 57 9.019 -5.991 18.981 1.00 24.14 H new ATOM 0 HG23 THR A 57 7.641 -4.938 18.579 1.00 24.14 H new ATOM 937 N ARG A 58 9.382 -7.653 14.705 1.00 45.03 N ATOM 938 CA ARG A 58 9.394 -8.444 13.462 1.00 62.41 C ATOM 939 C ARG A 58 7.969 -8.850 13.039 1.00 61.40 C ATOM 940 O ARG A 58 7.682 -8.893 11.847 1.00 54.34 O ATOM 941 CB ARG A 58 10.300 -9.702 13.605 1.00 22.52 C ATOM 942 CG ARG A 58 10.294 -10.645 12.370 1.00 30.42 C ATOM 943 CD ARG A 58 10.846 -9.975 11.089 1.00 35.12 C ATOM 944 NE ARG A 58 10.415 -10.669 9.865 1.00 64.21 N ATOM 945 CZ ARG A 58 10.982 -10.537 8.653 1.00 5.31 C ATOM 946 NH1 ARG A 58 12.028 -9.730 8.464 1.00 1.45 N ATOM 947 NH2 ARG A 58 10.473 -11.189 7.619 1.00 55.03 N ATOM 0 H ARG A 58 9.845 -8.114 15.488 1.00 45.03 H new ATOM 0 HA ARG A 58 9.810 -7.810 12.679 1.00 62.41 H new ATOM 0 HB2 ARG A 58 11.323 -9.377 13.793 1.00 22.52 H new ATOM 0 HB3 ARG A 58 9.979 -10.268 14.480 1.00 22.52 H new ATOM 0 HG2 ARG A 58 10.889 -11.531 12.594 1.00 30.42 H new ATOM 0 HG3 ARG A 58 9.275 -10.984 12.185 1.00 30.42 H new ATOM 0 HD2 ARG A 58 10.513 -8.938 11.052 1.00 35.12 H new ATOM 0 HD3 ARG A 58 11.935 -9.959 11.131 1.00 35.12 H new ATOM 0 HE ARG A 58 9.620 -11.303 9.943 1.00 64.21 H new ATOM 0 HH11 ARG A 58 12.411 -9.200 9.247 1.00 1.45 H new ATOM 0 HH12 ARG A 58 12.444 -9.643 7.537 1.00 1.45 H new ATOM 0 HH21 ARG A 58 9.656 -11.787 7.745 1.00 55.03 H new ATOM 0 HH22 ARG A 58 10.898 -11.094 6.697 1.00 55.03 H new ATOM 961 N SER A 59 7.084 -9.136 14.012 1.00 50.43 N ATOM 962 CA SER A 59 5.679 -9.506 13.721 1.00 44.12 C ATOM 963 C SER A 59 4.961 -8.372 12.960 1.00 63.12 C ATOM 964 O SER A 59 4.231 -8.614 11.984 1.00 74.53 O ATOM 965 CB SER A 59 4.940 -9.828 15.027 1.00 10.20 C ATOM 966 OG SER A 59 5.627 -10.823 15.769 1.00 22.10 O ATOM 0 H SER A 59 7.313 -9.119 15.006 1.00 50.43 H new ATOM 0 HA SER A 59 5.677 -10.393 13.087 1.00 44.12 H new ATOM 0 HB2 SER A 59 4.844 -8.923 15.627 1.00 10.20 H new ATOM 0 HB3 SER A 59 3.930 -10.170 14.802 1.00 10.20 H new ATOM 0 HG SER A 59 5.138 -11.010 16.597 1.00 22.10 H new ATOM 972 N ILE A 60 5.225 -7.132 13.407 1.00 1.31 N ATOM 973 CA ILE A 60 4.708 -5.915 12.768 1.00 75.14 C ATOM 974 C ILE A 60 5.337 -5.744 11.372 1.00 65.44 C ATOM 975 O ILE A 60 4.659 -5.364 10.427 1.00 13.54 O ATOM 976 CB ILE A 60 4.982 -4.650 13.662 1.00 61.33 C ATOM 977 CG1 ILE A 60 4.311 -4.820 15.063 1.00 42.44 C ATOM 978 CG2 ILE A 60 4.515 -3.345 12.965 1.00 42.05 C ATOM 979 CD1 ILE A 60 4.659 -3.739 16.076 1.00 34.22 C ATOM 0 H ILE A 60 5.806 -6.948 14.225 1.00 1.31 H new ATOM 0 HA ILE A 60 3.628 -6.015 12.656 1.00 75.14 H new ATOM 0 HB ILE A 60 6.059 -4.565 13.806 1.00 61.33 H new ATOM 0 HG12 ILE A 60 3.229 -4.839 14.931 1.00 42.44 H new ATOM 0 HG13 ILE A 60 4.600 -5.788 15.473 1.00 42.44 H new ATOM 0 HG21 ILE A 60 4.721 -2.493 13.613 1.00 42.05 H new ATOM 0 HG22 ILE A 60 5.051 -3.223 12.024 1.00 42.05 H new ATOM 0 HG23 ILE A 60 3.444 -3.401 12.768 1.00 42.05 H new ATOM 0 HD11 ILE A 60 4.147 -3.943 17.016 1.00 34.22 H new ATOM 0 HD12 ILE A 60 5.736 -3.731 16.244 1.00 34.22 H new ATOM 0 HD13 ILE A 60 4.344 -2.768 15.694 1.00 34.22 H new ATOM 991 N GLN A 61 6.639 -6.061 11.267 1.00 21.32 N ATOM 992 CA GLN A 61 7.394 -6.024 9.994 1.00 60.44 C ATOM 993 C GLN A 61 6.790 -7.001 8.958 1.00 45.43 C ATOM 994 O GLN A 61 6.740 -6.700 7.762 1.00 21.31 O ATOM 995 CB GLN A 61 8.885 -6.358 10.289 1.00 20.11 C ATOM 996 CG GLN A 61 9.868 -6.149 9.117 1.00 33.12 C ATOM 997 CD GLN A 61 11.340 -6.209 9.566 1.00 60.23 C ATOM 998 OE1 GLN A 61 11.692 -6.933 10.496 1.00 51.12 O ATOM 999 NE2 GLN A 61 12.202 -5.431 8.936 1.00 31.13 N ATOM 0 H GLN A 61 7.204 -6.352 12.065 1.00 21.32 H new ATOM 0 HA GLN A 61 7.328 -5.027 9.559 1.00 60.44 H new ATOM 0 HB2 GLN A 61 9.215 -5.746 11.128 1.00 20.11 H new ATOM 0 HB3 GLN A 61 8.948 -7.398 10.609 1.00 20.11 H new ATOM 0 HG2 GLN A 61 9.691 -6.911 8.358 1.00 33.12 H new ATOM 0 HG3 GLN A 61 9.673 -5.183 8.650 1.00 33.12 H new ATOM 0 HE21 GLN A 61 11.887 -4.839 8.167 1.00 31.13 H new ATOM 0 HE22 GLN A 61 13.182 -5.422 9.218 1.00 31.13 H new ATOM 1008 N ASP A 62 6.297 -8.154 9.446 1.00 70.24 N ATOM 1009 CA ASP A 62 5.694 -9.199 8.592 1.00 74.21 C ATOM 1010 C ASP A 62 4.300 -8.783 8.093 1.00 24.35 C ATOM 1011 O ASP A 62 3.991 -8.948 6.910 1.00 33.51 O ATOM 1012 CB ASP A 62 5.604 -10.560 9.342 1.00 64.41 C ATOM 1013 CG ASP A 62 6.973 -11.229 9.579 1.00 14.51 C ATOM 1014 OD1 ASP A 62 7.309 -11.589 10.733 1.00 33.44 O ATOM 1015 OD2 ASP A 62 7.716 -11.429 8.594 1.00 44.34 O ATOM 0 H ASP A 62 6.304 -8.389 10.439 1.00 70.24 H new ATOM 0 HA ASP A 62 6.348 -9.320 7.728 1.00 74.21 H new ATOM 0 HB2 ASP A 62 5.115 -10.403 10.303 1.00 64.41 H new ATOM 0 HB3 ASP A 62 4.972 -11.239 8.770 1.00 64.41 H new ATOM 1020 N MET A 63 3.465 -8.248 9.005 1.00 35.25 N ATOM 1021 CA MET A 63 2.092 -7.804 8.670 1.00 74.35 C ATOM 1022 C MET A 63 2.123 -6.603 7.706 1.00 4.45 C ATOM 1023 O MET A 63 1.476 -6.626 6.651 1.00 12.14 O ATOM 1024 CB MET A 63 1.293 -7.447 9.954 1.00 30.01 C ATOM 1025 CG MET A 63 1.143 -8.599 10.951 1.00 42.44 C ATOM 1026 SD MET A 63 0.168 -8.133 12.399 1.00 44.41 S ATOM 1027 CE MET A 63 1.145 -6.802 13.102 1.00 63.05 C ATOM 0 H MET A 63 3.716 -8.111 9.984 1.00 35.25 H new ATOM 0 HA MET A 63 1.587 -8.632 8.172 1.00 74.35 H new ATOM 0 HB2 MET A 63 1.787 -6.613 10.453 1.00 30.01 H new ATOM 0 HB3 MET A 63 0.300 -7.103 9.665 1.00 30.01 H new ATOM 0 HG2 MET A 63 0.670 -9.446 10.455 1.00 42.44 H new ATOM 0 HG3 MET A 63 2.131 -8.929 11.272 1.00 42.44 H new ATOM 0 HE1 MET A 63 0.646 -6.414 13.990 1.00 63.05 H new ATOM 0 HE2 MET A 63 2.130 -7.179 13.375 1.00 63.05 H new ATOM 0 HE3 MET A 63 1.253 -6.003 12.368 1.00 63.05 H new ATOM 1037 N VAL A 64 2.902 -5.573 8.080 1.00 33.00 N ATOM 1038 CA VAL A 64 3.052 -4.344 7.288 1.00 44.24 C ATOM 1039 C VAL A 64 3.691 -4.634 5.919 1.00 42.24 C ATOM 1040 O VAL A 64 3.053 -4.381 4.906 1.00 72.34 O ATOM 1041 CB VAL A 64 3.869 -3.244 8.066 1.00 25.41 C ATOM 1042 CG1 VAL A 64 4.178 -2.029 7.167 1.00 14.43 C ATOM 1043 CG2 VAL A 64 3.112 -2.804 9.346 1.00 31.41 C ATOM 0 H VAL A 64 3.446 -5.571 8.943 1.00 33.00 H new ATOM 0 HA VAL A 64 2.050 -3.951 7.116 1.00 44.24 H new ATOM 0 HB VAL A 64 4.821 -3.685 8.362 1.00 25.41 H new ATOM 0 HG11 VAL A 64 4.742 -1.290 7.736 1.00 14.43 H new ATOM 0 HG12 VAL A 64 4.766 -2.352 6.308 1.00 14.43 H new ATOM 0 HG13 VAL A 64 3.244 -1.585 6.821 1.00 14.43 H new ATOM 0 HG21 VAL A 64 3.693 -2.044 9.869 1.00 31.41 H new ATOM 0 HG22 VAL A 64 2.141 -2.393 9.071 1.00 31.41 H new ATOM 0 HG23 VAL A 64 2.970 -3.665 9.999 1.00 31.41 H new ATOM 1053 N ALA A 65 4.925 -5.196 5.887 1.00 14.31 N ATOM 1054 CA ALA A 65 5.637 -5.437 4.606 1.00 33.32 C ATOM 1055 C ALA A 65 4.955 -6.546 3.787 1.00 4.42 C ATOM 1056 O ALA A 65 5.113 -6.599 2.579 1.00 41.23 O ATOM 1057 CB ALA A 65 7.125 -5.749 4.820 1.00 74.24 C ATOM 0 H ALA A 65 5.441 -5.487 6.718 1.00 14.31 H new ATOM 0 HA ALA A 65 5.581 -4.510 4.035 1.00 33.32 H new ATOM 0 HB1 ALA A 65 7.604 -5.918 3.855 1.00 74.24 H new ATOM 0 HB2 ALA A 65 7.605 -4.908 5.321 1.00 74.24 H new ATOM 0 HB3 ALA A 65 7.224 -6.643 5.436 1.00 74.24 H new ATOM 1063 N GLY A 66 4.183 -7.424 4.457 1.00 45.00 N ATOM 1064 CA GLY A 66 3.329 -8.396 3.754 1.00 74.24 C ATOM 1065 C GLY A 66 2.191 -7.715 3.006 1.00 14.43 C ATOM 1066 O GLY A 66 1.842 -8.097 1.882 1.00 45.01 O ATOM 0 H GLY A 66 4.134 -7.479 5.474 1.00 45.00 H new ATOM 0 HA2 GLY A 66 3.934 -8.969 3.051 1.00 74.24 H new ATOM 0 HA3 GLY A 66 2.918 -9.105 4.473 1.00 74.24 H new ATOM 1070 N TYR A 67 1.627 -6.677 3.644 1.00 42.44 N ATOM 1071 CA TYR A 67 0.579 -5.833 3.049 1.00 11.12 C ATOM 1072 C TYR A 67 1.146 -4.866 1.994 1.00 21.42 C ATOM 1073 O TYR A 67 0.458 -4.568 1.005 1.00 20.43 O ATOM 1074 CB TYR A 67 -0.214 -5.074 4.164 1.00 34.20 C ATOM 1075 CG TYR A 67 -1.409 -5.864 4.758 1.00 30.42 C ATOM 1076 CD1 TYR A 67 -2.022 -6.917 4.055 1.00 34.40 C ATOM 1077 CD2 TYR A 67 -1.956 -5.529 5.998 1.00 23.02 C ATOM 1078 CE1 TYR A 67 -3.125 -7.583 4.556 1.00 65.31 C ATOM 1079 CE2 TYR A 67 -3.058 -6.202 6.500 1.00 60.40 C ATOM 1080 CZ TYR A 67 -3.633 -7.230 5.780 1.00 21.53 C ATOM 1081 OH TYR A 67 -4.734 -7.892 6.283 1.00 62.33 O ATOM 0 H TYR A 67 1.886 -6.399 4.590 1.00 42.44 H new ATOM 0 HA TYR A 67 -0.117 -6.488 2.525 1.00 11.12 H new ATOM 0 HB2 TYR A 67 0.473 -4.819 4.971 1.00 34.20 H new ATOM 0 HB3 TYR A 67 -0.585 -4.135 3.753 1.00 34.20 H new ATOM 0 HD1 TYR A 67 -1.620 -7.213 3.097 1.00 34.40 H new ATOM 0 HD2 TYR A 67 -1.513 -4.732 6.576 1.00 23.02 H new ATOM 0 HE1 TYR A 67 -3.584 -8.377 3.986 1.00 65.31 H new ATOM 0 HE2 TYR A 67 -3.469 -5.921 7.459 1.00 60.40 H new ATOM 0 HH TYR A 67 -4.966 -7.521 7.160 1.00 62.33 H new ATOM 1091 N ILE A 68 2.406 -4.399 2.180 1.00 10.30 N ATOM 1092 CA ILE A 68 3.072 -3.557 1.172 1.00 64.50 C ATOM 1093 C ILE A 68 3.359 -4.417 -0.069 1.00 44.21 C ATOM 1094 O ILE A 68 3.165 -3.959 -1.185 1.00 40.53 O ATOM 1095 CB ILE A 68 4.404 -2.860 1.657 1.00 11.21 C ATOM 1096 CG1 ILE A 68 4.187 -2.093 2.994 1.00 1.55 C ATOM 1097 CG2 ILE A 68 4.943 -1.893 0.556 1.00 50.22 C ATOM 1098 CD1 ILE A 68 5.381 -1.278 3.459 1.00 73.13 C ATOM 0 H ILE A 68 2.969 -4.591 3.008 1.00 10.30 H new ATOM 0 HA ILE A 68 2.387 -2.738 0.954 1.00 64.50 H new ATOM 0 HB ILE A 68 5.145 -3.640 1.835 1.00 11.21 H new ATOM 0 HG12 ILE A 68 3.332 -1.427 2.880 1.00 1.55 H new ATOM 0 HG13 ILE A 68 3.930 -2.812 3.772 1.00 1.55 H new ATOM 0 HG21 ILE A 68 5.861 -1.420 0.905 1.00 50.22 H new ATOM 0 HG22 ILE A 68 5.148 -2.456 -0.354 1.00 50.22 H new ATOM 0 HG23 ILE A 68 4.197 -1.126 0.348 1.00 50.22 H new ATOM 0 HD11 ILE A 68 5.138 -0.779 4.397 1.00 73.13 H new ATOM 0 HD12 ILE A 68 6.235 -1.938 3.610 1.00 73.13 H new ATOM 0 HD13 ILE A 68 5.628 -0.531 2.704 1.00 73.13 H new ATOM 1110 N LYS A 69 3.756 -5.690 0.169 1.00 70.12 N ATOM 1111 CA LYS A 69 3.987 -6.692 -0.895 1.00 23.00 C ATOM 1112 C LYS A 69 2.697 -6.853 -1.711 1.00 55.45 C ATOM 1113 O LYS A 69 2.724 -6.764 -2.942 1.00 71.15 O ATOM 1114 CB LYS A 69 4.446 -8.050 -0.256 1.00 73.42 C ATOM 1115 CG LYS A 69 5.135 -9.060 -1.215 1.00 40.14 C ATOM 1116 CD LYS A 69 4.174 -9.832 -2.142 1.00 44.44 C ATOM 1117 CE LYS A 69 4.919 -10.727 -3.154 1.00 63.44 C ATOM 1118 NZ LYS A 69 3.987 -11.352 -4.133 1.00 42.31 N ATOM 0 H LYS A 69 3.925 -6.050 1.108 1.00 70.12 H new ATOM 0 HA LYS A 69 4.781 -6.362 -1.565 1.00 23.00 H new ATOM 0 HB2 LYS A 69 5.133 -7.830 0.561 1.00 73.42 H new ATOM 0 HB3 LYS A 69 3.574 -8.534 0.183 1.00 73.42 H new ATOM 0 HG2 LYS A 69 5.856 -8.521 -1.830 1.00 40.14 H new ATOM 0 HG3 LYS A 69 5.698 -9.779 -0.619 1.00 40.14 H new ATOM 0 HD2 LYS A 69 3.509 -10.449 -1.538 1.00 44.44 H new ATOM 0 HD3 LYS A 69 3.547 -9.122 -2.682 1.00 44.44 H new ATOM 0 HE2 LYS A 69 5.661 -10.132 -3.687 1.00 63.44 H new ATOM 0 HE3 LYS A 69 5.461 -11.507 -2.619 1.00 63.44 H new ATOM 0 HZ1 LYS A 69 4.503 -11.578 -5.007 1.00 42.31 H new ATOM 0 HZ2 LYS A 69 3.592 -12.225 -3.728 1.00 42.31 H new ATOM 0 HZ3 LYS A 69 3.214 -10.690 -4.348 1.00 42.31 H new ATOM 1132 N GLN A 70 1.575 -7.034 -0.981 1.00 21.44 N ATOM 1133 CA GLN A 70 0.238 -7.179 -1.572 1.00 23.01 C ATOM 1134 C GLN A 70 -0.071 -6.000 -2.520 1.00 2.03 C ATOM 1135 O GLN A 70 -0.414 -6.225 -3.681 1.00 30.41 O ATOM 1136 CB GLN A 70 -0.848 -7.300 -0.465 1.00 1.31 C ATOM 1137 CG GLN A 70 -2.280 -7.515 -1.002 1.00 34.34 C ATOM 1138 CD GLN A 70 -3.347 -7.703 0.082 1.00 64.24 C ATOM 1139 OE1 GLN A 70 -3.235 -7.188 1.183 1.00 62.02 O ATOM 1140 NE2 GLN A 70 -4.404 -8.434 -0.230 1.00 33.45 N ATOM 0 H GLN A 70 1.577 -7.083 0.038 1.00 21.44 H new ATOM 0 HA GLN A 70 0.224 -8.098 -2.158 1.00 23.01 H new ATOM 0 HB2 GLN A 70 -0.590 -8.131 0.192 1.00 1.31 H new ATOM 0 HB3 GLN A 70 -0.832 -6.396 0.144 1.00 1.31 H new ATOM 0 HG2 GLN A 70 -2.555 -6.659 -1.619 1.00 34.34 H new ATOM 0 HG3 GLN A 70 -2.283 -8.390 -1.651 1.00 34.34 H new ATOM 0 HE21 GLN A 70 -4.477 -8.855 -1.156 1.00 33.45 H new ATOM 0 HE22 GLN A 70 -5.146 -8.576 0.455 1.00 33.45 H new ATOM 1149 N THR A 71 0.138 -4.745 -2.045 1.00 1.35 N ATOM 1150 CA THR A 71 -0.154 -3.549 -2.854 1.00 22.32 C ATOM 1151 C THR A 71 0.911 -3.320 -3.951 1.00 31.13 C ATOM 1152 O THR A 71 0.620 -2.656 -4.941 1.00 63.32 O ATOM 1153 CB THR A 71 -0.401 -2.251 -1.996 1.00 44.15 C ATOM 1154 OG1 THR A 71 -0.497 -1.099 -2.842 1.00 53.32 O ATOM 1155 CG2 THR A 71 0.664 -1.990 -0.936 1.00 30.14 C ATOM 0 H THR A 71 0.504 -4.543 -1.115 1.00 1.35 H new ATOM 0 HA THR A 71 -1.101 -3.757 -3.352 1.00 22.32 H new ATOM 0 HB THR A 71 -1.340 -2.431 -1.472 1.00 44.15 H new ATOM 0 HG1 THR A 71 -1.324 -0.613 -2.641 1.00 53.32 H new ATOM 0 HG21 THR A 71 0.419 -1.079 -0.391 1.00 30.14 H new ATOM 0 HG22 THR A 71 0.700 -2.830 -0.242 1.00 30.14 H new ATOM 0 HG23 THR A 71 1.635 -1.875 -1.417 1.00 30.14 H new ATOM 1163 N LEU A 72 2.140 -3.888 -3.788 1.00 11.43 N ATOM 1164 CA LEU A 72 3.172 -3.848 -4.858 1.00 14.35 C ATOM 1165 C LEU A 72 2.633 -4.579 -6.094 1.00 62.22 C ATOM 1166 O LEU A 72 2.617 -4.022 -7.194 1.00 21.12 O ATOM 1167 CB LEU A 72 4.544 -4.494 -4.451 1.00 44.23 C ATOM 1168 CG LEU A 72 5.359 -3.829 -3.294 1.00 12.41 C ATOM 1169 CD1 LEU A 72 6.799 -4.390 -3.204 1.00 2.12 C ATOM 1170 CD2 LEU A 72 5.354 -2.301 -3.411 1.00 40.40 C ATOM 0 H LEU A 72 2.434 -4.371 -2.939 1.00 11.43 H new ATOM 0 HA LEU A 72 3.370 -2.795 -5.057 1.00 14.35 H new ATOM 0 HB2 LEU A 72 4.354 -5.530 -4.172 1.00 44.23 H new ATOM 0 HB3 LEU A 72 5.179 -4.514 -5.337 1.00 44.23 H new ATOM 0 HG LEU A 72 4.859 -4.087 -2.360 1.00 12.41 H new ATOM 0 HD11 LEU A 72 7.330 -3.901 -2.387 1.00 2.12 H new ATOM 0 HD12 LEU A 72 6.760 -5.464 -3.020 1.00 2.12 H new ATOM 0 HD13 LEU A 72 7.322 -4.201 -4.141 1.00 2.12 H new ATOM 0 HD21 LEU A 72 5.930 -1.871 -2.591 1.00 40.40 H new ATOM 0 HD22 LEU A 72 5.801 -2.007 -4.361 1.00 40.40 H new ATOM 0 HD23 LEU A 72 4.328 -1.936 -3.364 1.00 40.40 H new ATOM 1182 N ASP A 73 2.167 -5.828 -5.871 1.00 14.35 N ATOM 1183 CA ASP A 73 1.587 -6.662 -6.940 1.00 24.35 C ATOM 1184 C ASP A 73 0.337 -5.999 -7.532 1.00 12.13 C ATOM 1185 O ASP A 73 0.313 -5.706 -8.719 1.00 4.54 O ATOM 1186 CB ASP A 73 1.237 -8.088 -6.431 1.00 4.43 C ATOM 1187 CG ASP A 73 2.479 -8.897 -6.056 1.00 44.22 C ATOM 1188 OD1 ASP A 73 2.961 -9.715 -6.873 1.00 71.21 O ATOM 1189 OD2 ASP A 73 3.001 -8.695 -4.955 1.00 2.25 O ATOM 0 H ASP A 73 2.183 -6.279 -4.956 1.00 14.35 H new ATOM 0 HA ASP A 73 2.343 -6.756 -7.719 1.00 24.35 H new ATOM 0 HB2 ASP A 73 0.582 -8.010 -5.563 1.00 4.43 H new ATOM 0 HB3 ASP A 73 0.681 -8.619 -7.203 1.00 4.43 H new ATOM 1194 N ASN A 74 -0.658 -5.718 -6.661 1.00 11.30 N ATOM 1195 CA ASN A 74 -1.987 -5.189 -7.056 1.00 43.14 C ATOM 1196 C ASN A 74 -1.854 -3.949 -7.947 1.00 13.31 C ATOM 1197 O ASN A 74 -2.358 -3.929 -9.080 1.00 43.14 O ATOM 1198 CB ASN A 74 -2.839 -4.838 -5.810 1.00 20.30 C ATOM 1199 CG ASN A 74 -3.126 -6.022 -4.894 1.00 73.33 C ATOM 1200 OD1 ASN A 74 -3.202 -7.174 -5.318 1.00 41.54 O ATOM 1201 ND2 ASN A 74 -3.306 -5.733 -3.620 1.00 43.14 N ATOM 0 H ASN A 74 -0.562 -5.853 -5.654 1.00 11.30 H new ATOM 0 HA ASN A 74 -2.488 -5.975 -7.622 1.00 43.14 H new ATOM 0 HB2 ASN A 74 -2.324 -4.067 -5.237 1.00 20.30 H new ATOM 0 HB3 ASN A 74 -3.786 -4.411 -6.140 1.00 20.30 H new ATOM 0 HD21 ASN A 74 -3.515 -6.476 -2.953 1.00 43.14 H new ATOM 0 HD22 ASN A 74 -3.236 -4.767 -3.301 1.00 43.14 H new ATOM 1208 N GLU A 75 -1.108 -2.953 -7.437 1.00 54.55 N ATOM 1209 CA GLU A 75 -0.858 -1.704 -8.151 1.00 53.34 C ATOM 1210 C GLU A 75 -0.142 -1.956 -9.474 1.00 65.50 C ATOM 1211 O GLU A 75 -0.670 -1.601 -10.516 1.00 62.41 O ATOM 1212 CB GLU A 75 -0.042 -0.714 -7.274 1.00 53.51 C ATOM 1213 CG GLU A 75 -0.887 0.074 -6.264 1.00 24.40 C ATOM 1214 CD GLU A 75 -1.835 1.065 -6.962 1.00 43.53 C ATOM 1215 OE1 GLU A 75 -2.973 0.684 -7.326 1.00 13.21 O ATOM 1216 OE2 GLU A 75 -1.420 2.221 -7.214 1.00 45.00 O ATOM 0 H GLU A 75 -0.665 -2.998 -6.519 1.00 54.55 H new ATOM 0 HA GLU A 75 -1.826 -1.253 -8.370 1.00 53.34 H new ATOM 0 HB2 GLU A 75 0.724 -1.271 -6.734 1.00 53.51 H new ATOM 0 HB3 GLU A 75 0.475 -0.010 -7.926 1.00 53.51 H new ATOM 0 HG2 GLU A 75 -1.469 -0.620 -5.657 1.00 24.40 H new ATOM 0 HG3 GLU A 75 -0.229 0.617 -5.585 1.00 24.40 H new ATOM 1223 N GLN A 76 1.030 -2.606 -9.418 1.00 65.24 N ATOM 1224 CA GLN A 76 1.921 -2.772 -10.593 1.00 15.24 C ATOM 1225 C GLN A 76 1.253 -3.592 -11.721 1.00 1.33 C ATOM 1226 O GLN A 76 1.526 -3.377 -12.912 1.00 33.34 O ATOM 1227 CB GLN A 76 3.247 -3.421 -10.140 1.00 11.34 C ATOM 1228 CG GLN A 76 4.367 -3.416 -11.185 1.00 4.24 C ATOM 1229 CD GLN A 76 5.655 -4.065 -10.685 1.00 50.24 C ATOM 1230 OE1 GLN A 76 6.745 -3.634 -11.037 1.00 60.34 O ATOM 1231 NE2 GLN A 76 5.544 -5.130 -9.889 1.00 65.51 N ATOM 0 H GLN A 76 1.392 -3.032 -8.565 1.00 65.24 H new ATOM 0 HA GLN A 76 2.125 -1.786 -11.011 1.00 15.24 H new ATOM 0 HB2 GLN A 76 3.601 -2.902 -9.249 1.00 11.34 H new ATOM 0 HB3 GLN A 76 3.047 -4.453 -9.850 1.00 11.34 H new ATOM 0 HG2 GLN A 76 4.026 -3.941 -12.077 1.00 4.24 H new ATOM 0 HG3 GLN A 76 4.576 -2.388 -11.480 1.00 4.24 H new ATOM 0 HE21 GLN A 76 4.622 -5.466 -9.612 1.00 65.51 H new ATOM 0 HE22 GLN A 76 6.382 -5.608 -9.557 1.00 65.51 H new ATOM 1240 N LEU A 77 0.351 -4.507 -11.321 1.00 40.31 N ATOM 1241 CA LEU A 77 -0.456 -5.317 -12.250 1.00 70.03 C ATOM 1242 C LEU A 77 -1.532 -4.438 -12.920 1.00 12.31 C ATOM 1243 O LEU A 77 -1.765 -4.564 -14.119 1.00 32.24 O ATOM 1244 CB LEU A 77 -1.090 -6.529 -11.503 1.00 13.54 C ATOM 1245 CG LEU A 77 -0.099 -7.666 -11.081 1.00 42.52 C ATOM 1246 CD1 LEU A 77 -0.812 -8.755 -10.246 1.00 11.43 C ATOM 1247 CD2 LEU A 77 0.594 -8.272 -12.317 1.00 72.23 C ATOM 0 H LEU A 77 0.161 -4.706 -10.339 1.00 40.31 H new ATOM 0 HA LEU A 77 0.190 -5.714 -13.034 1.00 70.03 H new ATOM 0 HB2 LEU A 77 -1.590 -6.158 -10.608 1.00 13.54 H new ATOM 0 HB3 LEU A 77 -1.860 -6.963 -12.142 1.00 13.54 H new ATOM 0 HG LEU A 77 0.669 -7.223 -10.447 1.00 42.52 H new ATOM 0 HD11 LEU A 77 -0.096 -9.529 -9.970 1.00 11.43 H new ATOM 0 HD12 LEU A 77 -1.229 -8.307 -9.344 1.00 11.43 H new ATOM 0 HD13 LEU A 77 -1.615 -9.198 -10.835 1.00 11.43 H new ATOM 0 HD21 LEU A 77 1.278 -9.060 -12.001 1.00 72.23 H new ATOM 0 HD22 LEU A 77 -0.157 -8.691 -12.987 1.00 72.23 H new ATOM 0 HD23 LEU A 77 1.152 -7.495 -12.839 1.00 72.23 H new ATOM 1259 N LEU A 78 -2.162 -3.534 -12.128 1.00 63.53 N ATOM 1260 CA LEU A 78 -3.113 -2.517 -12.652 1.00 5.32 C ATOM 1261 C LEU A 78 -2.427 -1.557 -13.638 1.00 23.42 C ATOM 1262 O LEU A 78 -3.026 -1.154 -14.632 1.00 22.41 O ATOM 1263 CB LEU A 78 -3.759 -1.695 -11.496 1.00 33.33 C ATOM 1264 CG LEU A 78 -4.774 -2.462 -10.609 1.00 53.01 C ATOM 1265 CD1 LEU A 78 -5.315 -1.570 -9.476 1.00 43.10 C ATOM 1266 CD2 LEU A 78 -5.911 -3.023 -11.473 1.00 24.03 C ATOM 0 H LEU A 78 -2.028 -3.488 -11.118 1.00 63.53 H new ATOM 0 HA LEU A 78 -3.895 -3.063 -13.180 1.00 5.32 H new ATOM 0 HB2 LEU A 78 -2.962 -1.314 -10.857 1.00 33.33 H new ATOM 0 HB3 LEU A 78 -4.263 -0.830 -11.928 1.00 33.33 H new ATOM 0 HG LEU A 78 -4.257 -3.298 -10.138 1.00 53.01 H new ATOM 0 HD11 LEU A 78 -6.024 -2.138 -8.873 1.00 43.10 H new ATOM 0 HD12 LEU A 78 -4.488 -1.238 -8.848 1.00 43.10 H new ATOM 0 HD13 LEU A 78 -5.816 -0.702 -9.904 1.00 43.10 H new ATOM 0 HD21 LEU A 78 -6.618 -3.560 -10.840 1.00 24.03 H new ATOM 0 HD22 LEU A 78 -6.424 -2.203 -11.976 1.00 24.03 H new ATOM 0 HD23 LEU A 78 -5.500 -3.705 -12.217 1.00 24.03 H new ATOM 1278 N LYS A 79 -1.158 -1.217 -13.347 1.00 20.41 N ATOM 1279 CA LYS A 79 -0.374 -0.269 -14.158 1.00 53.11 C ATOM 1280 C LYS A 79 -0.057 -0.909 -15.515 1.00 72.41 C ATOM 1281 O LYS A 79 -0.256 -0.291 -16.568 1.00 44.24 O ATOM 1282 CB LYS A 79 0.938 0.149 -13.419 1.00 44.54 C ATOM 1283 CG LYS A 79 0.733 0.667 -11.979 1.00 13.35 C ATOM 1284 CD LYS A 79 -0.238 1.864 -11.891 1.00 12.01 C ATOM 1285 CE LYS A 79 -0.776 2.123 -10.479 1.00 24.43 C ATOM 1286 NZ LYS A 79 -1.787 1.098 -10.097 1.00 4.13 N ATOM 0 H LYS A 79 -0.649 -1.591 -12.546 1.00 20.41 H new ATOM 0 HA LYS A 79 -0.961 0.636 -14.316 1.00 53.11 H new ATOM 0 HB2 LYS A 79 1.611 -0.708 -13.389 1.00 44.54 H new ATOM 0 HB3 LYS A 79 1.435 0.924 -14.002 1.00 44.54 H new ATOM 0 HG2 LYS A 79 0.354 -0.145 -11.359 1.00 13.35 H new ATOM 0 HG3 LYS A 79 1.698 0.960 -11.565 1.00 13.35 H new ATOM 0 HD2 LYS A 79 0.272 2.760 -12.245 1.00 12.01 H new ATOM 0 HD3 LYS A 79 -1.078 1.688 -12.563 1.00 12.01 H new ATOM 0 HE2 LYS A 79 0.047 2.111 -9.764 1.00 24.43 H new ATOM 0 HE3 LYS A 79 -1.224 3.116 -10.433 1.00 24.43 H new ATOM 0 HZ1 LYS A 79 -2.361 1.454 -9.307 1.00 4.13 H new ATOM 0 HZ2 LYS A 79 -2.404 0.898 -10.910 1.00 4.13 H new ATOM 0 HZ3 LYS A 79 -1.303 0.224 -9.807 1.00 4.13 H new ATOM 1300 N GLY A 80 0.421 -2.170 -15.460 1.00 4.42 N ATOM 1301 CA GLY A 80 0.693 -2.969 -16.659 1.00 4.25 C ATOM 1302 C GLY A 80 -0.568 -3.282 -17.457 1.00 51.14 C ATOM 1303 O GLY A 80 -0.505 -3.451 -18.677 1.00 2.42 O ATOM 0 H GLY A 80 0.626 -2.654 -14.586 1.00 4.42 H new ATOM 0 HA2 GLY A 80 1.397 -2.433 -17.296 1.00 4.25 H new ATOM 0 HA3 GLY A 80 1.174 -3.902 -16.367 1.00 4.25 H new ATOM 1307 N LEU A 81 -1.708 -3.362 -16.746 1.00 2.32 N ATOM 1308 CA LEU A 81 -3.034 -3.601 -17.348 1.00 73.44 C ATOM 1309 C LEU A 81 -3.464 -2.351 -18.152 1.00 60.24 C ATOM 1310 O LEU A 81 -4.004 -2.481 -19.254 1.00 51.33 O ATOM 1311 CB LEU A 81 -4.069 -3.967 -16.222 1.00 62.52 C ATOM 1312 CG LEU A 81 -5.284 -4.893 -16.603 1.00 23.51 C ATOM 1313 CD1 LEU A 81 -6.072 -5.317 -15.342 1.00 12.22 C ATOM 1314 CD2 LEU A 81 -6.224 -4.240 -17.637 1.00 62.34 C ATOM 0 H LEU A 81 -1.736 -3.262 -15.731 1.00 2.32 H new ATOM 0 HA LEU A 81 -2.991 -4.443 -18.039 1.00 73.44 H new ATOM 0 HB2 LEU A 81 -3.523 -4.450 -15.412 1.00 62.52 H new ATOM 0 HB3 LEU A 81 -4.472 -3.036 -15.824 1.00 62.52 H new ATOM 0 HG LEU A 81 -4.864 -5.784 -17.071 1.00 23.51 H new ATOM 0 HD11 LEU A 81 -6.906 -5.956 -15.632 1.00 12.22 H new ATOM 0 HD12 LEU A 81 -5.413 -5.864 -14.668 1.00 12.22 H new ATOM 0 HD13 LEU A 81 -6.453 -4.430 -14.836 1.00 12.22 H new ATOM 0 HD21 LEU A 81 -7.044 -4.921 -17.864 1.00 62.34 H new ATOM 0 HD22 LEU A 81 -6.625 -3.312 -17.229 1.00 62.34 H new ATOM 0 HD23 LEU A 81 -5.668 -4.025 -18.549 1.00 62.34 H new ATOM 1326 N LEU A 82 -3.190 -1.148 -17.599 1.00 62.31 N ATOM 1327 CA LEU A 82 -3.529 0.121 -18.265 1.00 73.34 C ATOM 1328 C LEU A 82 -2.609 0.324 -19.479 1.00 51.32 C ATOM 1329 O LEU A 82 -3.067 0.307 -20.629 1.00 4.04 O ATOM 1330 CB LEU A 82 -3.413 1.329 -17.277 1.00 24.11 C ATOM 1331 CG LEU A 82 -4.416 1.347 -16.079 1.00 43.34 C ATOM 1332 CD1 LEU A 82 -4.152 2.564 -15.161 1.00 74.32 C ATOM 1333 CD2 LEU A 82 -5.882 1.322 -16.572 1.00 40.41 C ATOM 0 H LEU A 82 -2.735 -1.034 -16.693 1.00 62.31 H new ATOM 0 HA LEU A 82 -4.565 0.072 -18.602 1.00 73.34 H new ATOM 0 HB2 LEU A 82 -2.400 1.345 -16.875 1.00 24.11 H new ATOM 0 HB3 LEU A 82 -3.544 2.249 -17.846 1.00 24.11 H new ATOM 0 HG LEU A 82 -4.255 0.442 -15.493 1.00 43.34 H new ATOM 0 HD11 LEU A 82 -4.862 2.556 -14.334 1.00 74.32 H new ATOM 0 HD12 LEU A 82 -3.137 2.510 -14.768 1.00 74.32 H new ATOM 0 HD13 LEU A 82 -4.271 3.484 -15.733 1.00 74.32 H new ATOM 0 HD21 LEU A 82 -6.555 1.335 -15.714 1.00 40.41 H new ATOM 0 HD22 LEU A 82 -6.071 2.196 -17.195 1.00 40.41 H new ATOM 0 HD23 LEU A 82 -6.055 0.417 -17.154 1.00 40.41 H new ATOM 1345 N GLN A 83 -1.301 0.480 -19.210 1.00 50.51 N ATOM 1346 CA GLN A 83 -0.270 0.690 -20.240 1.00 51.50 C ATOM 1347 C GLN A 83 1.018 -0.072 -19.845 1.00 71.50 C ATOM 1348 O GLN A 83 1.337 -1.117 -20.418 1.00 75.10 O ATOM 1349 CB GLN A 83 0.043 2.208 -20.422 1.00 40.21 C ATOM 1350 CG GLN A 83 -1.136 3.105 -20.877 1.00 30.23 C ATOM 1351 CD GLN A 83 -1.727 2.750 -22.250 1.00 42.40 C ATOM 1352 OE1 GLN A 83 -2.926 2.923 -22.484 1.00 61.21 O ATOM 1353 NE2 GLN A 83 -0.899 2.279 -23.179 1.00 13.54 N ATOM 0 H GLN A 83 -0.927 0.464 -18.261 1.00 50.51 H new ATOM 0 HA GLN A 83 -0.646 0.308 -21.189 1.00 51.50 H new ATOM 0 HB2 GLN A 83 0.421 2.595 -19.476 1.00 40.21 H new ATOM 0 HB3 GLN A 83 0.848 2.306 -21.151 1.00 40.21 H new ATOM 0 HG2 GLN A 83 -1.928 3.045 -20.130 1.00 30.23 H new ATOM 0 HG3 GLN A 83 -0.797 4.141 -20.900 1.00 30.23 H new ATOM 0 HE21 GLN A 83 0.088 2.145 -22.961 1.00 13.54 H new ATOM 0 HE22 GLN A 83 -1.252 2.052 -24.109 1.00 13.54 H new ATOM 1362 N GLN A 84 1.733 0.450 -18.828 1.00 72.22 N ATOM 1363 CA GLN A 84 3.085 -0.030 -18.432 1.00 73.32 C ATOM 1364 C GLN A 84 3.186 -0.090 -16.898 1.00 12.52 C ATOM 1365 O GLN A 84 2.448 0.607 -16.215 1.00 31.04 O ATOM 1366 CB GLN A 84 4.198 0.905 -19.001 1.00 34.55 C ATOM 1367 CG GLN A 84 4.354 0.878 -20.538 1.00 22.12 C ATOM 1368 CD GLN A 84 5.465 1.790 -21.068 1.00 20.43 C ATOM 1369 OE1 GLN A 84 6.464 2.035 -20.395 1.00 64.14 O ATOM 1370 NE2 GLN A 84 5.309 2.286 -22.286 1.00 72.24 N ATOM 0 H GLN A 84 1.393 1.220 -18.252 1.00 72.22 H new ATOM 0 HA GLN A 84 3.232 -1.027 -18.846 1.00 73.32 H new ATOM 0 HB2 GLN A 84 3.985 1.928 -18.691 1.00 34.55 H new ATOM 0 HB3 GLN A 84 5.150 0.627 -18.550 1.00 34.55 H new ATOM 0 HG2 GLN A 84 4.556 -0.145 -20.854 1.00 22.12 H new ATOM 0 HG3 GLN A 84 3.409 1.172 -20.994 1.00 22.12 H new ATOM 0 HE21 GLN A 84 4.470 2.066 -22.822 1.00 72.24 H new ATOM 0 HE22 GLN A 84 6.028 2.888 -22.688 1.00 72.24 H new ATOM 1379 N ARG A 85 4.156 -0.872 -16.370 1.00 5.34 N ATOM 1380 CA ARG A 85 4.276 -1.164 -14.913 1.00 55.55 C ATOM 1381 C ARG A 85 4.540 0.102 -14.051 1.00 23.11 C ATOM 1382 O ARG A 85 4.395 0.060 -12.821 1.00 10.11 O ATOM 1383 CB ARG A 85 5.387 -2.231 -14.672 1.00 55.43 C ATOM 1384 CG ARG A 85 6.820 -1.766 -15.009 1.00 5.22 C ATOM 1385 CD ARG A 85 7.862 -2.903 -14.958 1.00 62.24 C ATOM 1386 NE ARG A 85 8.041 -3.479 -13.613 1.00 21.34 N ATOM 1387 CZ ARG A 85 8.862 -4.513 -13.315 1.00 40.32 C ATOM 1388 NH1 ARG A 85 9.597 -5.107 -14.262 1.00 13.04 N ATOM 1389 NH2 ARG A 85 8.954 -4.943 -12.063 1.00 52.40 N ATOM 0 H ARG A 85 4.878 -1.319 -16.935 1.00 5.34 H new ATOM 0 HA ARG A 85 3.311 -1.556 -14.591 1.00 55.55 H new ATOM 0 HB2 ARG A 85 5.356 -2.536 -13.626 1.00 55.43 H new ATOM 0 HB3 ARG A 85 5.158 -3.114 -15.268 1.00 55.43 H new ATOM 0 HG2 ARG A 85 6.825 -1.323 -16.005 1.00 5.22 H new ATOM 0 HG3 ARG A 85 7.114 -0.983 -14.310 1.00 5.22 H new ATOM 0 HD2 ARG A 85 7.559 -3.693 -15.645 1.00 62.24 H new ATOM 0 HD3 ARG A 85 8.820 -2.523 -15.312 1.00 62.24 H new ATOM 0 HE ARG A 85 7.505 -3.067 -12.849 1.00 21.34 H new ATOM 0 HH11 ARG A 85 9.544 -4.782 -15.227 1.00 13.04 H new ATOM 0 HH12 ARG A 85 10.210 -5.885 -14.019 1.00 13.04 H new ATOM 0 HH21 ARG A 85 8.407 -4.495 -11.328 1.00 52.40 H new ATOM 0 HH22 ARG A 85 9.572 -5.722 -11.835 1.00 52.40 H new ATOM 1403 N LEU A 86 4.933 1.217 -14.709 1.00 61.24 N ATOM 1404 CA LEU A 86 5.164 2.519 -14.036 1.00 52.23 C ATOM 1405 C LEU A 86 4.067 3.553 -14.358 1.00 64.33 C ATOM 1406 O LEU A 86 4.014 4.606 -13.709 1.00 52.24 O ATOM 1407 CB LEU A 86 6.556 3.081 -14.432 1.00 24.11 C ATOM 1408 CG LEU A 86 7.782 2.199 -14.038 1.00 24.34 C ATOM 1409 CD1 LEU A 86 9.107 2.867 -14.455 1.00 1.43 C ATOM 1410 CD2 LEU A 86 7.778 1.869 -12.532 1.00 45.04 C ATOM 0 H LEU A 86 5.098 1.241 -15.715 1.00 61.24 H new ATOM 0 HA LEU A 86 5.130 2.337 -12.962 1.00 52.23 H new ATOM 0 HB2 LEU A 86 6.572 3.231 -15.511 1.00 24.11 H new ATOM 0 HB3 LEU A 86 6.675 4.062 -13.972 1.00 24.11 H new ATOM 0 HG LEU A 86 7.696 1.258 -14.582 1.00 24.34 H new ATOM 0 HD11 LEU A 86 9.943 2.229 -14.167 1.00 1.43 H new ATOM 0 HD12 LEU A 86 9.117 3.013 -15.535 1.00 1.43 H new ATOM 0 HD13 LEU A 86 9.200 3.833 -13.958 1.00 1.43 H new ATOM 0 HD21 LEU A 86 8.645 1.254 -12.292 1.00 45.04 H new ATOM 0 HD22 LEU A 86 7.819 2.794 -11.957 1.00 45.04 H new ATOM 0 HD23 LEU A 86 6.867 1.326 -12.281 1.00 45.04 H new ATOM 1422 N ASP A 87 3.223 3.267 -15.372 1.00 12.43 N ATOM 1423 CA ASP A 87 2.107 4.159 -15.790 1.00 0.45 C ATOM 1424 C ASP A 87 1.038 4.199 -14.679 1.00 34.44 C ATOM 1425 O ASP A 87 0.198 3.300 -14.586 1.00 54.41 O ATOM 1426 CB ASP A 87 1.488 3.675 -17.139 1.00 1.13 C ATOM 1427 CG ASP A 87 0.407 4.629 -17.707 1.00 51.22 C ATOM 1428 OD1 ASP A 87 0.762 5.562 -18.464 1.00 62.14 O ATOM 1429 OD2 ASP A 87 -0.800 4.445 -17.411 1.00 73.32 O ATOM 0 H ASP A 87 3.291 2.414 -15.927 1.00 12.43 H new ATOM 0 HA ASP A 87 2.494 5.166 -15.946 1.00 0.45 H new ATOM 0 HB2 ASP A 87 2.285 3.564 -17.875 1.00 1.13 H new ATOM 0 HB3 ASP A 87 1.049 2.688 -16.993 1.00 1.13 H new ATOM 1434 N GLU A 88 1.100 5.253 -13.841 1.00 33.12 N ATOM 1435 CA GLU A 88 0.310 5.372 -12.600 1.00 21.23 C ATOM 1436 C GLU A 88 -1.198 5.541 -12.883 1.00 43.24 C ATOM 1437 O GLU A 88 -1.592 5.914 -13.999 1.00 12.30 O ATOM 1438 CB GLU A 88 0.865 6.550 -11.749 1.00 12.44 C ATOM 1439 CG GLU A 88 2.377 6.426 -11.445 1.00 64.14 C ATOM 1440 CD GLU A 88 2.954 7.597 -10.634 1.00 13.10 C ATOM 1441 OE1 GLU A 88 2.802 8.759 -11.059 1.00 53.15 O ATOM 1442 OE2 GLU A 88 3.618 7.353 -9.607 1.00 2.45 O ATOM 0 H GLU A 88 1.707 6.055 -14.009 1.00 33.12 H new ATOM 0 HA GLU A 88 0.410 4.444 -12.037 1.00 21.23 H new ATOM 0 HB2 GLU A 88 0.683 7.487 -12.276 1.00 12.44 H new ATOM 0 HB3 GLU A 88 0.315 6.601 -10.809 1.00 12.44 H new ATOM 0 HG2 GLU A 88 2.552 5.499 -10.899 1.00 64.14 H new ATOM 0 HG3 GLU A 88 2.920 6.348 -12.387 1.00 64.14 H new ATOM 1449 N LEU A 89 -2.038 5.225 -11.858 1.00 54.34 N ATOM 1450 CA LEU A 89 -3.500 5.472 -11.911 1.00 71.33 C ATOM 1451 C LEU A 89 -3.742 6.961 -12.204 1.00 52.41 C ATOM 1452 O LEU A 89 -4.526 7.326 -13.076 1.00 25.11 O ATOM 1453 CB LEU A 89 -4.201 5.055 -10.578 1.00 2.45 C ATOM 1454 CG LEU A 89 -4.199 3.534 -10.215 1.00 53.32 C ATOM 1455 CD1 LEU A 89 -4.923 3.286 -8.869 1.00 31.10 C ATOM 1456 CD2 LEU A 89 -4.815 2.677 -11.347 1.00 23.32 C ATOM 0 H LEU A 89 -1.723 4.799 -10.986 1.00 54.34 H new ATOM 0 HA LEU A 89 -3.932 4.863 -12.705 1.00 71.33 H new ATOM 0 HB2 LEU A 89 -3.725 5.598 -9.762 1.00 2.45 H new ATOM 0 HB3 LEU A 89 -5.237 5.390 -10.622 1.00 2.45 H new ATOM 0 HG LEU A 89 -3.160 3.224 -10.102 1.00 53.32 H new ATOM 0 HD11 LEU A 89 -4.908 2.221 -8.639 1.00 31.10 H new ATOM 0 HD12 LEU A 89 -4.416 3.836 -8.076 1.00 31.10 H new ATOM 0 HD13 LEU A 89 -5.956 3.627 -8.943 1.00 31.10 H new ATOM 0 HD21 LEU A 89 -4.796 1.626 -11.059 1.00 23.32 H new ATOM 0 HD22 LEU A 89 -5.845 2.988 -11.519 1.00 23.32 H new ATOM 0 HD23 LEU A 89 -4.238 2.813 -12.261 1.00 23.32 H new ATOM 1468 N SER A 90 -2.994 7.781 -11.474 1.00 70.24 N ATOM 1469 CA SER A 90 -2.857 9.217 -11.704 1.00 21.12 C ATOM 1470 C SER A 90 -1.499 9.649 -11.111 1.00 34.13 C ATOM 1471 O SER A 90 -1.063 9.064 -10.099 1.00 51.32 O ATOM 1472 CB SER A 90 -4.035 9.988 -11.067 1.00 14.54 C ATOM 1473 OG SER A 90 -3.921 11.392 -11.255 1.00 22.43 O ATOM 0 H SER A 90 -2.447 7.454 -10.678 1.00 70.24 H new ATOM 0 HA SER A 90 -2.883 9.445 -12.770 1.00 21.12 H new ATOM 0 HB2 SER A 90 -4.972 9.640 -11.501 1.00 14.54 H new ATOM 0 HB3 SER A 90 -4.077 9.768 -10.000 1.00 14.54 H new ATOM 0 HG SER A 90 -4.686 11.841 -10.839 1.00 22.43 H new ATOM 1479 N SER A 91 -0.832 10.645 -11.742 1.00 14.33 N ATOM 1480 CA SER A 91 0.540 11.062 -11.374 1.00 63.10 C ATOM 1481 C SER A 91 0.612 11.572 -9.918 1.00 42.23 C ATOM 1482 O SER A 91 0.052 12.625 -9.605 1.00 34.10 O ATOM 1483 CB SER A 91 1.069 12.122 -12.372 1.00 53.24 C ATOM 1484 OG SER A 91 1.103 11.606 -13.699 1.00 50.42 O ATOM 0 H SER A 91 -1.228 11.178 -12.516 1.00 14.33 H new ATOM 0 HA SER A 91 1.185 10.185 -11.434 1.00 63.10 H new ATOM 0 HB2 SER A 91 0.433 13.006 -12.339 1.00 53.24 H new ATOM 0 HB3 SER A 91 2.069 12.438 -12.076 1.00 53.24 H new ATOM 0 HG SER A 91 1.439 12.295 -14.309 1.00 50.42 H new ATOM 1490 N LEU A 92 1.297 10.786 -9.047 1.00 63.40 N ATOM 1491 CA LEU A 92 1.379 11.037 -7.590 1.00 71.01 C ATOM 1492 C LEU A 92 1.997 12.416 -7.299 1.00 2.32 C ATOM 1493 O LEU A 92 1.332 13.317 -6.779 1.00 40.32 O ATOM 1494 CB LEU A 92 2.198 9.910 -6.902 1.00 25.15 C ATOM 1495 CG LEU A 92 1.641 8.468 -7.084 1.00 1.32 C ATOM 1496 CD1 LEU A 92 2.604 7.436 -6.482 1.00 12.01 C ATOM 1497 CD2 LEU A 92 0.229 8.330 -6.485 1.00 55.23 C ATOM 0 H LEU A 92 1.810 9.955 -9.342 1.00 63.40 H new ATOM 0 HA LEU A 92 0.368 11.036 -7.182 1.00 71.01 H new ATOM 0 HB2 LEU A 92 3.217 9.938 -7.288 1.00 25.15 H new ATOM 0 HB3 LEU A 92 2.255 10.126 -5.835 1.00 25.15 H new ATOM 0 HG LEU A 92 1.559 8.272 -8.153 1.00 1.32 H new ATOM 0 HD11 LEU A 92 2.196 6.434 -6.620 1.00 12.01 H new ATOM 0 HD12 LEU A 92 3.571 7.506 -6.981 1.00 12.01 H new ATOM 0 HD13 LEU A 92 2.730 7.633 -5.417 1.00 12.01 H new ATOM 0 HD21 LEU A 92 -0.130 7.311 -6.630 1.00 55.23 H new ATOM 0 HD22 LEU A 92 0.262 8.555 -5.419 1.00 55.23 H new ATOM 0 HD23 LEU A 92 -0.447 9.026 -6.982 1.00 55.23 H new ATOM 1509 N ILE A 93 3.280 12.564 -7.648 1.00 74.42 N ATOM 1510 CA ILE A 93 4.012 13.842 -7.541 1.00 63.12 C ATOM 1511 C ILE A 93 4.038 14.535 -8.917 1.00 44.02 C ATOM 1512 O ILE A 93 3.971 15.764 -9.021 1.00 71.51 O ATOM 1513 CB ILE A 93 5.490 13.599 -7.027 1.00 42.31 C ATOM 1514 CG1 ILE A 93 5.479 12.805 -5.678 1.00 21.01 C ATOM 1515 CG2 ILE A 93 6.258 14.936 -6.866 1.00 2.03 C ATOM 1516 CD1 ILE A 93 6.850 12.443 -5.123 1.00 41.21 C ATOM 0 H ILE A 93 3.847 11.800 -8.015 1.00 74.42 H new ATOM 0 HA ILE A 93 3.501 14.481 -6.821 1.00 63.12 H new ATOM 0 HB ILE A 93 6.011 13.004 -7.777 1.00 42.31 H new ATOM 0 HG12 ILE A 93 4.948 13.396 -4.932 1.00 21.01 H new ATOM 0 HG13 ILE A 93 4.909 11.887 -5.821 1.00 21.01 H new ATOM 0 HG21 ILE A 93 7.269 14.735 -6.512 1.00 2.03 H new ATOM 0 HG22 ILE A 93 6.305 15.446 -7.828 1.00 2.03 H new ATOM 0 HG23 ILE A 93 5.740 15.568 -6.145 1.00 2.03 H new ATOM 0 HD11 ILE A 93 6.731 11.896 -4.188 1.00 41.21 H new ATOM 0 HD12 ILE A 93 7.381 11.820 -5.843 1.00 41.21 H new ATOM 0 HD13 ILE A 93 7.421 13.354 -4.940 1.00 41.21 H new ATOM 1528 N GLY A 94 4.109 13.715 -9.971 1.00 42.11 N ATOM 1529 CA GLY A 94 4.286 14.182 -11.347 1.00 71.22 C ATOM 1530 C GLY A 94 5.235 13.263 -12.097 1.00 74.23 C ATOM 1531 O GLY A 94 5.161 13.127 -13.316 1.00 52.33 O ATOM 0 H GLY A 94 4.045 12.700 -9.891 1.00 42.11 H new ATOM 0 HA2 GLY A 94 3.322 14.213 -11.855 1.00 71.22 H new ATOM 0 HA3 GLY A 94 4.679 15.199 -11.346 1.00 71.22 H new ATOM 1535 N GLN A 95 6.136 12.640 -11.329 1.00 44.31 N ATOM 1536 CA GLN A 95 7.066 11.612 -11.801 1.00 51.33 C ATOM 1537 C GLN A 95 6.472 10.242 -11.434 1.00 53.21 C ATOM 1538 O GLN A 95 5.796 10.124 -10.395 1.00 73.14 O ATOM 1539 CB GLN A 95 8.471 11.795 -11.130 1.00 2.20 C ATOM 1540 CG GLN A 95 9.138 13.187 -11.342 1.00 75.53 C ATOM 1541 CD GLN A 95 8.710 14.282 -10.337 1.00 21.35 C ATOM 1542 OE1 GLN A 95 7.615 14.265 -9.780 1.00 12.11 O ATOM 1543 NE2 GLN A 95 9.556 15.277 -10.144 1.00 22.24 N ATOM 0 H GLN A 95 6.240 12.844 -10.335 1.00 44.31 H new ATOM 0 HA GLN A 95 7.203 11.691 -12.880 1.00 51.33 H new ATOM 0 HB2 GLN A 95 8.369 11.620 -10.059 1.00 2.20 H new ATOM 0 HB3 GLN A 95 9.142 11.027 -11.516 1.00 2.20 H new ATOM 0 HG2 GLN A 95 10.220 13.066 -11.284 1.00 75.53 H new ATOM 0 HG3 GLN A 95 8.909 13.532 -12.350 1.00 75.53 H new ATOM 0 HE21 GLN A 95 10.461 15.275 -10.614 1.00 22.24 H new ATOM 0 HE22 GLN A 95 9.305 16.047 -9.525 1.00 22.24 H new ATOM 1552 N SER A 96 6.717 9.223 -12.283 1.00 1.43 N ATOM 1553 CA SER A 96 6.225 7.858 -12.060 1.00 13.04 C ATOM 1554 C SER A 96 7.004 7.191 -10.905 1.00 14.42 C ATOM 1555 O SER A 96 7.992 6.472 -11.113 1.00 1.42 O ATOM 1556 CB SER A 96 6.304 7.049 -13.377 1.00 23.33 C ATOM 1557 OG SER A 96 7.615 7.061 -13.929 1.00 62.33 O ATOM 0 H SER A 96 7.261 9.328 -13.139 1.00 1.43 H new ATOM 0 HA SER A 96 5.178 7.887 -11.760 1.00 13.04 H new ATOM 0 HB2 SER A 96 5.998 6.020 -13.190 1.00 23.33 H new ATOM 0 HB3 SER A 96 5.602 7.463 -14.100 1.00 23.33 H new ATOM 0 HG SER A 96 8.265 6.826 -13.234 1.00 62.33 H new ATOM 1563 N THR A 97 6.562 7.487 -9.679 1.00 0.32 N ATOM 1564 CA THR A 97 7.263 7.119 -8.443 1.00 22.22 C ATOM 1565 C THR A 97 6.538 5.978 -7.703 1.00 70.54 C ATOM 1566 O THR A 97 6.979 5.581 -6.625 1.00 14.14 O ATOM 1567 CB THR A 97 7.390 8.386 -7.510 1.00 54.21 C ATOM 1568 OG1 THR A 97 8.341 8.141 -6.462 1.00 11.13 O ATOM 1569 CG2 THR A 97 6.043 8.794 -6.876 1.00 62.12 C ATOM 0 H THR A 97 5.694 7.997 -9.514 1.00 0.32 H new ATOM 0 HA THR A 97 8.258 6.760 -8.706 1.00 22.22 H new ATOM 0 HB THR A 97 7.726 9.206 -8.145 1.00 54.21 H new ATOM 0 HG1 THR A 97 8.411 8.935 -5.892 1.00 11.13 H new ATOM 0 HG21 THR A 97 6.189 9.670 -6.245 1.00 62.12 H new ATOM 0 HG22 THR A 97 5.327 9.029 -7.663 1.00 62.12 H new ATOM 0 HG23 THR A 97 5.661 7.971 -6.272 1.00 62.12 H new ATOM 1577 N ARG A 98 5.443 5.433 -8.291 1.00 15.12 N ATOM 1578 CA ARG A 98 4.551 4.483 -7.586 1.00 63.52 C ATOM 1579 C ARG A 98 5.339 3.228 -7.146 1.00 70.31 C ATOM 1580 O ARG A 98 5.548 3.002 -5.947 1.00 51.04 O ATOM 1581 CB ARG A 98 3.337 4.066 -8.505 1.00 41.42 C ATOM 1582 CG ARG A 98 1.956 3.881 -7.805 1.00 71.42 C ATOM 1583 CD ARG A 98 1.930 2.865 -6.627 1.00 22.13 C ATOM 1584 NE ARG A 98 2.657 3.341 -5.430 1.00 15.21 N ATOM 1585 CZ ARG A 98 2.268 4.346 -4.624 1.00 35.52 C ATOM 1586 NH1 ARG A 98 1.131 5.004 -4.825 1.00 51.14 N ATOM 1587 NH2 ARG A 98 3.038 4.709 -3.618 1.00 21.40 N ATOM 0 H ARG A 98 5.159 5.636 -9.249 1.00 15.12 H new ATOM 0 HA ARG A 98 4.158 4.981 -6.700 1.00 63.52 H new ATOM 0 HB2 ARG A 98 3.225 4.821 -9.283 1.00 41.42 H new ATOM 0 HB3 ARG A 98 3.593 3.131 -9.003 1.00 41.42 H new ATOM 0 HG2 ARG A 98 1.625 4.850 -7.432 1.00 71.42 H new ATOM 0 HG3 ARG A 98 1.230 3.562 -8.553 1.00 71.42 H new ATOM 0 HD2 ARG A 98 0.894 2.659 -6.357 1.00 22.13 H new ATOM 0 HD3 ARG A 98 2.367 1.923 -6.959 1.00 22.13 H new ATOM 0 HE ARG A 98 3.529 2.866 -5.195 1.00 15.21 H new ATOM 0 HH11 ARG A 98 0.527 4.751 -5.607 1.00 51.14 H new ATOM 0 HH12 ARG A 98 0.862 5.762 -4.197 1.00 51.14 H new ATOM 0 HH21 ARG A 98 3.923 4.229 -3.454 1.00 21.40 H new ATOM 0 HH22 ARG A 98 2.749 5.470 -3.003 1.00 21.40 H new ATOM 1601 N GLN A 99 5.874 2.505 -8.138 1.00 61.14 N ATOM 1602 CA GLN A 99 6.551 1.224 -7.911 1.00 65.53 C ATOM 1603 C GLN A 99 7.905 1.465 -7.249 1.00 12.50 C ATOM 1604 O GLN A 99 8.269 0.758 -6.314 1.00 21.13 O ATOM 1605 CB GLN A 99 6.696 0.456 -9.262 1.00 33.31 C ATOM 1606 CG GLN A 99 7.318 -0.971 -9.162 1.00 54.43 C ATOM 1607 CD GLN A 99 8.818 -1.052 -9.506 1.00 71.45 C ATOM 1608 OE1 GLN A 99 9.577 -0.100 -9.325 1.00 33.45 O ATOM 1609 NE2 GLN A 99 9.246 -2.201 -9.994 1.00 73.21 N ATOM 0 H GLN A 99 5.850 2.791 -9.117 1.00 61.14 H new ATOM 0 HA GLN A 99 5.957 0.606 -7.238 1.00 65.53 H new ATOM 0 HB2 GLN A 99 5.710 0.372 -9.719 1.00 33.31 H new ATOM 0 HB3 GLN A 99 7.310 1.054 -9.935 1.00 33.31 H new ATOM 0 HG2 GLN A 99 7.172 -1.345 -8.148 1.00 54.43 H new ATOM 0 HG3 GLN A 99 6.771 -1.637 -9.829 1.00 54.43 H new ATOM 0 HE21 GLN A 99 8.592 -2.971 -10.133 1.00 73.21 H new ATOM 0 HE22 GLN A 99 10.231 -2.319 -10.233 1.00 73.21 H new ATOM 1618 N LYS A 100 8.615 2.511 -7.718 1.00 40.04 N ATOM 1619 CA LYS A 100 9.979 2.826 -7.271 1.00 14.31 C ATOM 1620 C LYS A 100 10.008 3.178 -5.774 1.00 33.22 C ATOM 1621 O LYS A 100 10.721 2.537 -5.006 1.00 52.42 O ATOM 1622 CB LYS A 100 10.570 3.990 -8.105 1.00 21.42 C ATOM 1623 CG LYS A 100 12.055 4.304 -7.789 1.00 44.34 C ATOM 1624 CD LYS A 100 12.639 5.431 -8.671 1.00 73.42 C ATOM 1625 CE LYS A 100 12.620 5.083 -10.168 1.00 53.12 C ATOM 1626 NZ LYS A 100 13.195 6.177 -11.005 1.00 42.23 N ATOM 0 H LYS A 100 8.255 3.159 -8.418 1.00 40.04 H new ATOM 0 HA LYS A 100 10.592 1.937 -7.423 1.00 14.31 H new ATOM 0 HB2 LYS A 100 10.478 3.747 -9.164 1.00 21.42 H new ATOM 0 HB3 LYS A 100 9.975 4.886 -7.931 1.00 21.42 H new ATOM 0 HG2 LYS A 100 12.145 4.588 -6.741 1.00 44.34 H new ATOM 0 HG3 LYS A 100 12.648 3.400 -7.926 1.00 44.34 H new ATOM 0 HD2 LYS A 100 12.070 6.346 -8.508 1.00 73.42 H new ATOM 0 HD3 LYS A 100 13.665 5.634 -8.362 1.00 73.42 H new ATOM 0 HE2 LYS A 100 13.184 4.165 -10.334 1.00 53.12 H new ATOM 0 HE3 LYS A 100 11.595 4.888 -10.482 1.00 53.12 H new ATOM 0 HZ1 LYS A 100 13.163 5.901 -12.007 1.00 42.23 H new ATOM 0 HZ2 LYS A 100 12.642 7.047 -10.867 1.00 42.23 H new ATOM 0 HZ3 LYS A 100 14.182 6.347 -10.724 1.00 42.23 H new ATOM 1640 N SER A 101 9.190 4.169 -5.378 1.00 34.40 N ATOM 1641 CA SER A 101 9.171 4.705 -4.003 1.00 44.20 C ATOM 1642 C SER A 101 8.471 3.748 -3.030 1.00 3.21 C ATOM 1643 O SER A 101 8.785 3.762 -1.841 1.00 12.33 O ATOM 1644 CB SER A 101 8.494 6.096 -3.966 1.00 65.05 C ATOM 1645 OG SER A 101 8.527 6.679 -2.667 1.00 12.34 O ATOM 0 H SER A 101 8.522 4.622 -6.002 1.00 34.40 H new ATOM 0 HA SER A 101 10.207 4.809 -3.681 1.00 44.20 H new ATOM 0 HB2 SER A 101 8.993 6.759 -4.672 1.00 65.05 H new ATOM 0 HB3 SER A 101 7.459 6.002 -4.294 1.00 65.05 H new ATOM 0 HG SER A 101 8.090 7.556 -2.691 1.00 12.34 H new ATOM 1651 N LEU A 102 7.505 2.933 -3.518 1.00 22.31 N ATOM 1652 CA LEU A 102 6.812 1.964 -2.645 1.00 72.22 C ATOM 1653 C LEU A 102 7.722 0.745 -2.351 1.00 55.41 C ATOM 1654 O LEU A 102 7.700 0.191 -1.241 1.00 33.32 O ATOM 1655 CB LEU A 102 5.458 1.524 -3.276 1.00 64.24 C ATOM 1656 CG LEU A 102 4.345 1.132 -2.262 1.00 3.01 C ATOM 1657 CD1 LEU A 102 4.032 2.320 -1.324 1.00 75.13 C ATOM 1658 CD2 LEU A 102 3.073 0.627 -2.991 1.00 14.53 C ATOM 0 H LEU A 102 7.195 2.928 -4.490 1.00 22.31 H new ATOM 0 HA LEU A 102 6.592 2.451 -1.695 1.00 72.22 H new ATOM 0 HB2 LEU A 102 5.087 2.336 -3.901 1.00 64.24 H new ATOM 0 HB3 LEU A 102 5.642 0.675 -3.934 1.00 64.24 H new ATOM 0 HG LEU A 102 4.710 0.307 -1.650 1.00 3.01 H new ATOM 0 HD11 LEU A 102 3.252 2.032 -0.620 1.00 75.13 H new ATOM 0 HD12 LEU A 102 4.932 2.597 -0.775 1.00 75.13 H new ATOM 0 HD13 LEU A 102 3.691 3.170 -1.915 1.00 75.13 H new ATOM 0 HD21 LEU A 102 2.314 0.361 -2.256 1.00 14.53 H new ATOM 0 HD22 LEU A 102 2.689 1.414 -3.640 1.00 14.53 H new ATOM 0 HD23 LEU A 102 3.321 -0.249 -3.590 1.00 14.53 H new ATOM 1670 N ASN A 103 8.525 0.351 -3.361 1.00 72.25 N ATOM 1671 CA ASN A 103 9.512 -0.746 -3.238 1.00 52.40 C ATOM 1672 C ASN A 103 10.777 -0.247 -2.508 1.00 53.03 C ATOM 1673 O ASN A 103 11.486 -1.034 -1.879 1.00 61.40 O ATOM 1674 CB ASN A 103 9.871 -1.309 -4.641 1.00 74.33 C ATOM 1675 CG ASN A 103 10.721 -2.587 -4.613 1.00 11.40 C ATOM 1676 OD1 ASN A 103 11.621 -2.769 -5.431 1.00 31.30 O ATOM 1677 ND2 ASN A 103 10.413 -3.506 -3.706 1.00 65.14 N ATOM 0 H ASN A 103 8.509 0.783 -4.285 1.00 72.25 H new ATOM 0 HA ASN A 103 9.071 -1.551 -2.650 1.00 52.40 H new ATOM 0 HB2 ASN A 103 8.948 -1.513 -5.184 1.00 74.33 H new ATOM 0 HB3 ASN A 103 10.408 -0.543 -5.200 1.00 74.33 H new ATOM 0 HD21 ASN A 103 10.927 -4.386 -3.677 1.00 65.14 H new ATOM 0 HD22 ASN A 103 9.662 -3.332 -3.038 1.00 65.14 H new ATOM 1684 N ASN A 104 11.035 1.074 -2.610 1.00 41.12 N ATOM 1685 CA ASN A 104 12.114 1.762 -1.874 1.00 61.41 C ATOM 1686 C ASN A 104 11.788 1.763 -0.377 1.00 63.12 C ATOM 1687 O ASN A 104 12.617 1.372 0.452 1.00 64.31 O ATOM 1688 CB ASN A 104 12.262 3.217 -2.391 1.00 51.03 C ATOM 1689 CG ASN A 104 13.337 4.039 -1.674 1.00 3.11 C ATOM 1690 OD1 ASN A 104 14.539 4.111 -2.232 1.00 60.31 O flip ATOM 1691 ND2 ASN A 104 13.078 4.626 -0.628 1.00 72.31 N flip ATOM 0 H ASN A 104 10.495 1.697 -3.211 1.00 41.12 H new ATOM 0 HA ASN A 104 13.056 1.237 -2.035 1.00 61.41 H new ATOM 0 HB2 ASN A 104 12.494 3.189 -3.456 1.00 51.03 H new ATOM 0 HB3 ASN A 104 11.304 3.726 -2.287 1.00 51.03 H new ATOM 0 HD21 ASN A 104 12.146 4.554 -0.220 1.00 72.31 H new ATOM 0 HD22 ASN A 104 13.795 5.186 -0.166 1.00 72.31 H new ATOM 1698 N ALA A 105 10.550 2.198 -0.061 1.00 31.32 N ATOM 1699 CA ALA A 105 10.015 2.195 1.305 1.00 22.22 C ATOM 1700 C ALA A 105 10.077 0.784 1.895 1.00 41.01 C ATOM 1701 O ALA A 105 10.568 0.602 2.998 1.00 43.30 O ATOM 1702 CB ALA A 105 8.580 2.727 1.316 1.00 51.23 C ATOM 0 H ALA A 105 9.895 2.562 -0.754 1.00 31.32 H new ATOM 0 HA ALA A 105 10.626 2.852 1.923 1.00 22.22 H new ATOM 0 HB1 ALA A 105 8.197 2.719 2.336 1.00 51.23 H new ATOM 0 HB2 ALA A 105 8.567 3.747 0.932 1.00 51.23 H new ATOM 0 HB3 ALA A 105 7.953 2.095 0.688 1.00 51.23 H new ATOM 1708 N TYR A 106 9.627 -0.205 1.086 1.00 54.41 N ATOM 1709 CA TYR A 106 9.669 -1.644 1.419 1.00 41.31 C ATOM 1710 C TYR A 106 11.119 -2.095 1.714 1.00 11.13 C ATOM 1711 O TYR A 106 11.356 -2.852 2.659 1.00 62.54 O ATOM 1712 CB TYR A 106 9.079 -2.464 0.226 1.00 65.14 C ATOM 1713 CG TYR A 106 8.823 -3.966 0.490 1.00 33.31 C ATOM 1714 CD1 TYR A 106 9.866 -4.876 0.709 1.00 2.24 C ATOM 1715 CD2 TYR A 106 7.530 -4.486 0.500 1.00 40.20 C ATOM 1716 CE1 TYR A 106 9.627 -6.214 0.936 1.00 11.24 C ATOM 1717 CE2 TYR A 106 7.295 -5.822 0.723 1.00 3.11 C ATOM 1718 CZ TYR A 106 8.340 -6.684 0.941 1.00 10.33 C ATOM 1719 OH TYR A 106 8.093 -8.023 1.173 1.00 33.20 O ATOM 0 H TYR A 106 9.219 -0.019 0.170 1.00 54.41 H new ATOM 0 HA TYR A 106 9.073 -1.821 2.314 1.00 41.31 H new ATOM 0 HB2 TYR A 106 8.138 -2.004 -0.074 1.00 65.14 H new ATOM 0 HB3 TYR A 106 9.760 -2.376 -0.620 1.00 65.14 H new ATOM 0 HD1 TYR A 106 10.885 -4.519 0.700 1.00 2.24 H new ATOM 0 HD2 TYR A 106 6.694 -3.824 0.329 1.00 40.20 H new ATOM 0 HE1 TYR A 106 10.451 -6.890 1.109 1.00 11.24 H new ATOM 0 HE2 TYR A 106 6.282 -6.195 0.727 1.00 3.11 H new ATOM 0 HH TYR A 106 7.144 -8.149 1.381 1.00 33.20 H new ATOM 1729 N GLY A 107 12.067 -1.626 0.878 1.00 13.23 N ATOM 1730 CA GLY A 107 13.476 -2.020 0.976 1.00 33.10 C ATOM 1731 C GLY A 107 14.119 -1.614 2.294 1.00 0.13 C ATOM 1732 O GLY A 107 14.704 -2.448 2.990 1.00 53.44 O ATOM 0 H GLY A 107 11.874 -0.968 0.123 1.00 13.23 H new ATOM 0 HA2 GLY A 107 13.554 -3.101 0.858 1.00 33.10 H new ATOM 0 HA3 GLY A 107 14.031 -1.569 0.154 1.00 33.10 H new ATOM 1736 N ARG A 108 13.981 -0.327 2.654 1.00 31.22 N ATOM 1737 CA ARG A 108 14.507 0.202 3.927 1.00 62.52 C ATOM 1738 C ARG A 108 13.727 -0.395 5.125 1.00 13.22 C ATOM 1739 O ARG A 108 14.312 -0.648 6.201 1.00 15.15 O ATOM 1740 CB ARG A 108 14.438 1.755 3.949 1.00 34.14 C ATOM 1741 CG ARG A 108 15.533 2.518 3.146 1.00 42.22 C ATOM 1742 CD ARG A 108 15.412 2.417 1.615 1.00 1.02 C ATOM 1743 NE ARG A 108 15.821 1.102 1.078 1.00 42.13 N ATOM 1744 CZ ARG A 108 15.850 0.775 -0.233 1.00 62.41 C ATOM 1745 NH1 ARG A 108 15.515 1.656 -1.169 1.00 23.12 N ATOM 1746 NH2 ARG A 108 16.231 -0.436 -0.612 1.00 61.34 N ATOM 0 H ARG A 108 13.508 0.370 2.079 1.00 31.22 H new ATOM 0 HA ARG A 108 15.553 -0.093 4.014 1.00 62.52 H new ATOM 0 HB2 ARG A 108 13.463 2.057 3.566 1.00 34.14 H new ATOM 0 HB3 ARG A 108 14.488 2.083 4.987 1.00 34.14 H new ATOM 0 HG2 ARG A 108 15.501 3.570 3.428 1.00 42.22 H new ATOM 0 HG3 ARG A 108 16.510 2.138 3.443 1.00 42.22 H new ATOM 0 HD2 ARG A 108 14.380 2.614 1.326 1.00 1.02 H new ATOM 0 HD3 ARG A 108 16.025 3.194 1.158 1.00 1.02 H new ATOM 0 HE ARG A 108 16.103 0.387 1.748 1.00 42.13 H new ATOM 0 HH11 ARG A 108 15.229 2.599 -0.903 1.00 23.12 H new ATOM 0 HH12 ARG A 108 15.543 1.390 -2.153 1.00 23.12 H new ATOM 0 HH21 ARG A 108 16.504 -1.127 0.087 1.00 61.34 H new ATOM 0 HH22 ARG A 108 16.251 -0.678 -1.603 1.00 61.34 H new ATOM 1760 N LEU A 109 12.418 -0.650 4.892 1.00 41.40 N ATOM 1761 CA LEU A 109 11.489 -1.171 5.905 1.00 13.13 C ATOM 1762 C LEU A 109 11.941 -2.559 6.391 1.00 54.21 C ATOM 1763 O LEU A 109 12.139 -2.798 7.584 1.00 23.55 O ATOM 1764 CB LEU A 109 10.045 -1.277 5.341 1.00 70.11 C ATOM 1765 CG LEU A 109 8.909 -1.355 6.407 1.00 41.42 C ATOM 1766 CD1 LEU A 109 8.430 0.055 6.819 1.00 20.13 C ATOM 1767 CD2 LEU A 109 7.747 -2.234 5.941 1.00 1.11 C ATOM 0 H LEU A 109 11.979 -0.496 3.984 1.00 41.40 H new ATOM 0 HA LEU A 109 11.493 -0.472 6.741 1.00 13.13 H new ATOM 0 HB2 LEU A 109 9.860 -0.414 4.701 1.00 70.11 H new ATOM 0 HB3 LEU A 109 9.986 -2.162 4.708 1.00 70.11 H new ATOM 0 HG LEU A 109 9.328 -1.832 7.293 1.00 41.42 H new ATOM 0 HD11 LEU A 109 7.638 -0.033 7.563 1.00 20.13 H new ATOM 0 HD12 LEU A 109 9.265 0.614 7.242 1.00 20.13 H new ATOM 0 HD13 LEU A 109 8.049 0.580 5.943 1.00 20.13 H new ATOM 0 HD21 LEU A 109 6.978 -2.261 6.713 1.00 1.11 H new ATOM 0 HD22 LEU A 109 7.325 -1.823 5.023 1.00 1.11 H new ATOM 0 HD23 LEU A 109 8.108 -3.245 5.754 1.00 1.11 H new ATOM 1779 N SER A 110 12.109 -3.461 5.432 1.00 40.55 N ATOM 1780 CA SER A 110 12.553 -4.830 5.686 1.00 63.04 C ATOM 1781 C SER A 110 14.078 -4.871 5.910 1.00 62.33 C ATOM 1782 O SER A 110 14.598 -5.849 6.461 1.00 43.23 O ATOM 1783 CB SER A 110 12.130 -5.721 4.499 1.00 44.34 C ATOM 1784 OG SER A 110 10.739 -5.582 4.235 1.00 13.13 O ATOM 0 H SER A 110 11.940 -3.263 4.446 1.00 40.55 H new ATOM 0 HA SER A 110 12.085 -5.209 6.594 1.00 63.04 H new ATOM 0 HB2 SER A 110 12.702 -5.449 3.612 1.00 44.34 H new ATOM 0 HB3 SER A 110 12.361 -6.763 4.720 1.00 44.34 H new ATOM 0 HG SER A 110 10.564 -5.782 3.292 1.00 13.13 H new ATOM 1790 N GLY A 111 14.779 -3.791 5.475 1.00 13.41 N ATOM 1791 CA GLY A 111 16.230 -3.736 5.559 1.00 73.44 C ATOM 1792 C GLY A 111 16.783 -3.536 6.973 1.00 10.33 C ATOM 1793 O GLY A 111 17.482 -4.422 7.462 1.00 3.43 O ATOM 0 H GLY A 111 14.349 -2.960 5.068 1.00 13.41 H new ATOM 0 HA2 GLY A 111 16.639 -4.660 5.151 1.00 73.44 H new ATOM 0 HA3 GLY A 111 16.586 -2.923 4.926 1.00 73.44 H new ATOM 1797 N MET A 112 16.482 -2.398 7.655 1.00 12.35 N ATOM 1798 CA MET A 112 17.098 -2.126 8.999 1.00 71.30 C ATOM 1799 C MET A 112 16.174 -2.600 10.142 1.00 71.41 C ATOM 1800 O MET A 112 16.494 -3.558 10.862 1.00 65.31 O ATOM 1801 CB MET A 112 17.429 -0.608 9.157 1.00 41.04 C ATOM 1802 CG MET A 112 18.638 -0.309 10.074 1.00 14.12 C ATOM 1803 SD MET A 112 18.503 -0.988 11.751 1.00 10.22 S ATOM 1804 CE MET A 112 17.355 0.130 12.550 1.00 71.14 C ATOM 0 H MET A 112 15.844 -1.676 7.321 1.00 12.35 H new ATOM 0 HA MET A 112 18.028 -2.691 9.061 1.00 71.30 H new ATOM 0 HB2 MET A 112 17.624 -0.187 8.171 1.00 41.04 H new ATOM 0 HB3 MET A 112 16.552 -0.097 9.554 1.00 41.04 H new ATOM 0 HG2 MET A 112 19.539 -0.707 9.607 1.00 14.12 H new ATOM 0 HG3 MET A 112 18.766 0.771 10.143 1.00 14.12 H new ATOM 0 HE1 MET A 112 17.141 -0.227 13.558 1.00 71.14 H new ATOM 0 HE2 MET A 112 17.794 1.126 12.603 1.00 71.14 H new ATOM 0 HE3 MET A 112 16.429 0.172 11.976 1.00 71.14 H new ATOM 1814 N LEU A 113 14.998 -1.946 10.208 1.00 71.02 N ATOM 1815 CA LEU A 113 13.937 -2.146 11.220 1.00 14.15 C ATOM 1816 C LEU A 113 12.931 -1.008 10.990 1.00 32.24 C ATOM 1817 O LEU A 113 12.779 -0.084 11.792 1.00 53.03 O ATOM 1818 CB LEU A 113 14.473 -2.188 12.711 1.00 54.23 C ATOM 1819 CG LEU A 113 13.479 -2.632 13.870 1.00 73.25 C ATOM 1820 CD1 LEU A 113 12.635 -1.466 14.444 1.00 65.51 C ATOM 1821 CD2 LEU A 113 12.558 -3.793 13.422 1.00 61.51 C ATOM 0 H LEU A 113 14.748 -1.230 9.526 1.00 71.02 H new ATOM 0 HA LEU A 113 13.475 -3.126 11.096 1.00 14.15 H new ATOM 0 HB2 LEU A 113 15.330 -2.862 12.735 1.00 54.23 H new ATOM 0 HB3 LEU A 113 14.843 -1.193 12.957 1.00 54.23 H new ATOM 0 HG LEU A 113 14.121 -2.983 14.678 1.00 73.25 H new ATOM 0 HD11 LEU A 113 11.980 -1.843 15.230 1.00 65.51 H new ATOM 0 HD12 LEU A 113 13.298 -0.706 14.858 1.00 65.51 H new ATOM 0 HD13 LEU A 113 12.032 -1.027 13.649 1.00 65.51 H new ATOM 0 HD21 LEU A 113 11.894 -4.068 14.242 1.00 61.51 H new ATOM 0 HD22 LEU A 113 11.964 -3.476 12.564 1.00 61.51 H new ATOM 0 HD23 LEU A 113 13.166 -4.654 13.144 1.00 61.51 H new ATOM 1833 N LEU A 114 12.386 -1.032 9.774 1.00 20.13 N ATOM 1834 CA LEU A 114 11.267 -0.192 9.306 1.00 72.35 C ATOM 1835 C LEU A 114 11.575 1.318 9.196 1.00 44.41 C ATOM 1836 O LEU A 114 10.772 2.075 8.645 1.00 53.41 O ATOM 1837 CB LEU A 114 9.953 -0.503 10.082 1.00 74.12 C ATOM 1838 CG LEU A 114 9.418 -1.980 9.911 1.00 10.13 C ATOM 1839 CD1 LEU A 114 10.096 -2.955 10.881 1.00 3.23 C ATOM 1840 CD2 LEU A 114 7.884 -2.069 10.006 1.00 55.23 C ATOM 0 H LEU A 114 12.724 -1.665 9.049 1.00 20.13 H new ATOM 0 HA LEU A 114 11.108 -0.483 8.268 1.00 72.35 H new ATOM 0 HB2 LEU A 114 10.120 -0.312 11.142 1.00 74.12 H new ATOM 0 HB3 LEU A 114 9.179 0.190 9.751 1.00 74.12 H new ATOM 0 HG LEU A 114 9.690 -2.284 8.900 1.00 10.13 H new ATOM 0 HD11 LEU A 114 9.697 -3.958 10.727 1.00 3.23 H new ATOM 0 HD12 LEU A 114 11.171 -2.960 10.699 1.00 3.23 H new ATOM 0 HD13 LEU A 114 9.903 -2.641 11.907 1.00 3.23 H new ATOM 0 HD21 LEU A 114 7.571 -3.106 9.882 1.00 55.23 H new ATOM 0 HD22 LEU A 114 7.558 -1.706 10.981 1.00 55.23 H new ATOM 0 HD23 LEU A 114 7.435 -1.458 9.223 1.00 55.23 H new ATOM 1852 N VAL A 115 12.764 1.728 9.639 1.00 41.14 N ATOM 1853 CA VAL A 115 13.204 3.124 9.601 1.00 34.04 C ATOM 1854 C VAL A 115 13.674 3.515 8.168 1.00 45.34 C ATOM 1855 O VAL A 115 14.256 2.676 7.454 1.00 1.11 O ATOM 1856 CB VAL A 115 14.354 3.362 10.655 1.00 12.53 C ATOM 1857 CG1 VAL A 115 13.838 3.147 12.102 1.00 13.45 C ATOM 1858 CG2 VAL A 115 15.581 2.470 10.364 1.00 34.21 C ATOM 0 H VAL A 115 13.456 1.094 10.038 1.00 41.14 H new ATOM 0 HA VAL A 115 12.360 3.762 9.862 1.00 34.04 H new ATOM 0 HB VAL A 115 14.674 4.400 10.563 1.00 12.53 H new ATOM 0 HG11 VAL A 115 14.651 3.318 12.807 1.00 13.45 H new ATOM 0 HG12 VAL A 115 13.027 3.846 12.307 1.00 13.45 H new ATOM 0 HG13 VAL A 115 13.472 2.126 12.210 1.00 13.45 H new ATOM 0 HG21 VAL A 115 16.354 2.660 11.109 1.00 34.21 H new ATOM 0 HG22 VAL A 115 15.287 1.421 10.406 1.00 34.21 H new ATOM 0 HG23 VAL A 115 15.970 2.699 9.372 1.00 34.21 H new ATOM 1868 N PRO A 116 13.422 4.796 7.719 1.00 64.02 N ATOM 1869 CA PRO A 116 13.925 5.312 6.407 1.00 1.22 C ATOM 1870 C PRO A 116 15.475 5.404 6.348 1.00 14.25 C ATOM 1871 O PRO A 116 16.058 5.603 5.271 1.00 14.53 O ATOM 1872 CB PRO A 116 13.278 6.727 6.301 1.00 4.34 C ATOM 1873 CG PRO A 116 12.155 6.731 7.305 1.00 53.52 C ATOM 1874 CD PRO A 116 12.616 5.830 8.427 1.00 34.24 C ATOM 0 HA PRO A 116 13.662 4.648 5.584 1.00 1.22 H new ATOM 0 HB2 PRO A 116 14.005 7.509 6.522 1.00 4.34 H new ATOM 0 HB3 PRO A 116 12.905 6.914 5.294 1.00 4.34 H new ATOM 0 HG2 PRO A 116 11.956 7.739 7.668 1.00 53.52 H new ATOM 0 HG3 PRO A 116 11.230 6.364 6.861 1.00 53.52 H new ATOM 0 HD2 PRO A 116 13.211 6.373 9.161 1.00 34.24 H new ATOM 0 HD3 PRO A 116 11.775 5.389 8.962 1.00 34.24 H new ATOM 1882 N ASP A 117 16.107 5.264 7.532 1.00 52.44 N ATOM 1883 CA ASP A 117 17.566 5.350 7.735 1.00 11.24 C ATOM 1884 C ASP A 117 18.367 4.369 6.841 1.00 54.21 C ATOM 1885 O ASP A 117 19.496 4.689 6.461 1.00 41.25 O ATOM 1886 CB ASP A 117 17.875 5.094 9.236 1.00 11.22 C ATOM 1887 CG ASP A 117 19.372 5.190 9.600 1.00 41.03 C ATOM 1888 OD1 ASP A 117 19.866 6.318 9.819 1.00 65.23 O ATOM 1889 OD2 ASP A 117 20.062 4.140 9.685 1.00 10.31 O ATOM 0 H ASP A 117 15.600 5.083 8.398 1.00 52.44 H new ATOM 0 HA ASP A 117 17.885 6.350 7.441 1.00 11.24 H new ATOM 0 HB2 ASP A 117 17.320 5.814 9.837 1.00 11.22 H new ATOM 0 HB3 ASP A 117 17.510 4.103 9.507 1.00 11.22 H new ATOM 1894 N ALA A 118 17.755 3.192 6.515 1.00 71.03 N ATOM 1895 CA ALA A 118 18.377 2.101 5.707 1.00 53.11 C ATOM 1896 C ALA A 118 19.374 1.259 6.552 1.00 50.33 C ATOM 1897 O ALA A 118 19.878 1.735 7.575 1.00 40.22 O ATOM 1898 CB ALA A 118 19.030 2.642 4.400 1.00 12.33 C ATOM 0 H ALA A 118 16.804 2.973 6.811 1.00 71.03 H new ATOM 0 HA ALA A 118 17.573 1.432 5.400 1.00 53.11 H new ATOM 0 HB1 ALA A 118 19.470 1.814 3.844 1.00 12.33 H new ATOM 0 HB2 ALA A 118 18.270 3.128 3.788 1.00 12.33 H new ATOM 0 HB3 ALA A 118 19.807 3.363 4.653 1.00 12.33 H new ATOM 1904 N PRO A 119 19.660 -0.037 6.158 1.00 24.54 N ATOM 1905 CA PRO A 119 20.625 -0.921 6.895 1.00 74.13 C ATOM 1906 C PRO A 119 22.126 -0.564 6.701 1.00 3.35 C ATOM 1907 O PRO A 119 22.986 -1.457 6.777 1.00 40.20 O ATOM 1908 CB PRO A 119 20.295 -2.322 6.322 1.00 40.52 C ATOM 1909 CG PRO A 119 19.810 -2.056 4.933 1.00 35.22 C ATOM 1910 CD PRO A 119 19.022 -0.771 5.019 1.00 33.31 C ATOM 0 HA PRO A 119 20.505 -0.827 7.974 1.00 74.13 H new ATOM 0 HB2 PRO A 119 21.174 -2.966 6.318 1.00 40.52 H new ATOM 0 HB3 PRO A 119 19.534 -2.825 6.918 1.00 40.52 H new ATOM 0 HG2 PRO A 119 20.644 -1.959 4.238 1.00 35.22 H new ATOM 0 HG3 PRO A 119 19.188 -2.874 4.571 1.00 35.22 H new ATOM 0 HD2 PRO A 119 19.083 -0.201 4.092 1.00 33.31 H new ATOM 0 HD3 PRO A 119 17.965 -0.961 5.207 1.00 33.31 H new ATOM 1918 N GLY A 120 22.427 0.733 6.492 1.00 61.22 N ATOM 1919 CA GLY A 120 23.799 1.208 6.329 1.00 33.32 C ATOM 1920 C GLY A 120 24.583 1.163 7.642 1.00 32.22 C ATOM 1921 O GLY A 120 25.451 0.301 7.820 1.00 50.45 O ATOM 0 H GLY A 120 21.724 1.470 6.433 1.00 61.22 H new ATOM 0 HA2 GLY A 120 24.307 0.598 5.583 1.00 33.32 H new ATOM 0 HA3 GLY A 120 23.786 2.230 5.950 1.00 33.32 H new ATOM 1925 N ALA A 121 24.249 2.074 8.578 1.00 73.52 N ATOM 1926 CA ALA A 121 24.888 2.142 9.909 1.00 22.41 C ATOM 1927 C ALA A 121 24.076 1.321 10.929 1.00 53.53 C ATOM 1928 O ALA A 121 23.251 1.859 11.671 1.00 44.35 O ATOM 1929 CB ALA A 121 25.046 3.610 10.355 1.00 23.24 C ATOM 0 H ALA A 121 23.530 2.783 8.433 1.00 73.52 H new ATOM 0 HA ALA A 121 25.886 1.708 9.850 1.00 22.41 H new ATOM 0 HB1 ALA A 121 25.518 3.643 11.337 1.00 23.24 H new ATOM 0 HB2 ALA A 121 25.667 4.144 9.636 1.00 23.24 H new ATOM 0 HB3 ALA A 121 24.065 4.082 10.408 1.00 23.24 H new ATOM 1935 N SER A 122 24.287 0.000 10.898 1.00 51.30 N ATOM 1936 CA SER A 122 23.601 -0.961 11.781 1.00 41.34 C ATOM 1937 C SER A 122 24.238 -0.963 13.203 1.00 44.31 C ATOM 1938 O SER A 122 23.545 -0.613 14.182 1.00 64.41 O ATOM 1939 CB SER A 122 23.668 -2.365 11.139 1.00 63.20 C ATOM 1940 OG SER A 122 23.100 -2.360 9.833 1.00 54.13 O ATOM 1941 OXT SER A 122 25.451 -1.273 13.318 1.00 37.49 O ATOM 0 H SER A 122 24.945 -0.440 10.254 1.00 51.30 H new ATOM 0 HA SER A 122 22.558 -0.668 11.897 1.00 41.34 H new ATOM 0 HB2 SER A 122 24.706 -2.695 11.086 1.00 63.20 H new ATOM 0 HB3 SER A 122 23.137 -3.081 11.767 1.00 63.20 H new ATOM 0 HG SER A 122 23.156 -3.260 9.448 1.00 54.13 H new TER 1947 SER A 122