USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1076 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 102 TYR OH : rot 180:sc= 0.728 USER MOD Set 1.2: A 125 LYS NZ :NH3+ 161:sc= 1.67 (180deg=-0.38) USER MOD Set 2.1: A 71 THR OG1 : rot 139:sc= -2.99! USER MOD Set 2.2: A 73 HIS : no HD1:sc= -8.62! C(o=-37!,f=-41!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -25.6! C(o=-37!,f=-48!) USER MOD Set 3.1: A 34 TYR OH : rot 100:sc= -4.6! USER MOD Set 3.2: A 64 HIS : no HD1:sc= -17.3! C(o=-22!,f=-20!) USER MOD Set 4.1: A 60 ASN : amide:sc= -10.2! C(o=-25!,f=-31!) USER MOD Set 4.2: A 65 ASN : amide:sc= -15.1! C(o=-25!,f=-39!) USER MOD Set 5.1: A 35 THR OG1 : rot -73:sc= -6.4! USER MOD Set 5.2: A 36 THR OG1 : rot 100:sc= 0.337 USER MOD Set 5.3: A 39 LYS NZ :NH3+ -135:sc= -3.55! (180deg=-5.82!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 106:sc= -0.982! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 41:sc= 0.311 USER MOD Single : A 30 CYS SG : rot -150:sc= -4.42 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 116:sc= -0.6 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0229 USER MOD Single : A 52 SER OG : rot 180:sc= -0.268 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -106:sc= -0.702! USER MOD Single : A 59 HIS : no HE2:sc= -12.8! C(o=-13!,f=-14!) USER MOD Single : A 61 SER OG : rot 73:sc= -2.03! USER MOD Single : A 62 TYR OH : rot 1:sc= -0.482 USER MOD Single : A 63 ASN : amide:sc= -2.34 K(o=-2.3,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= -0.493 USER MOD Single : A 81 ASN : amide:sc= -0.0997 X(o=-0.1,f=0) USER MOD Single : A 82 ASN : amide:sc= -0.426 K(o=-0.43,f=-2.5!) USER MOD Single : A 83 TYR OH : rot 150:sc= -6.42! USER MOD Single : A 85 GLN : amide:sc= -6.29! K(o=-6.3!,f=-2.3) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0821) USER MOD Single : A 88 CYS SG : rot 13:sc= 0.405 USER MOD Single : A 89 THR OG1 : rot 35:sc= 1.14 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.275 USER MOD Single : A 96 LYS NZ :NH3+ -135:sc= 0.0873 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.34) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -111:sc= -6.13! (180deg=-12.8!) USER MOD Single : A 105 TYR OH : rot 148:sc= 1.24 USER MOD Single : A 106 SER OG : rot 180:sc= -0.092 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.25 K(o=-0.25,f=-1.6!) USER MOD Single : A 130 ASN : amide:sc= -0.797 X(o=-0.8,f=-0.6) USER MOD Single : A 133 SER OG : rot 180:sc= -0.187 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 114.547 -5.023 26.094 1.00 0.00 N ATOM 2 CA GLY A 1 115.818 -5.723 26.574 1.00 0.00 C ATOM 3 C GLY A 1 116.202 -7.035 25.977 1.00 0.00 C ATOM 4 O GLY A 1 117.346 -7.440 26.027 1.00 0.00 O ATOM 0 H1 GLY A 1 114.428 -4.127 26.609 1.00 0.00 H new ATOM 0 H2 GLY A 1 114.621 -4.829 25.075 1.00 0.00 H new ATOM 0 H3 GLY A 1 113.725 -5.636 26.271 1.00 0.00 H new ATOM 0 HA2 GLY A 1 116.649 -5.036 26.416 1.00 0.00 H new ATOM 0 HA3 GLY A 1 115.725 -5.868 27.650 1.00 0.00 H new ATOM 10 N SER A 2 115.261 -7.732 25.401 1.00 0.00 N ATOM 11 CA SER A 2 115.581 -9.051 24.786 1.00 0.00 C ATOM 12 C SER A 2 114.733 -9.246 23.529 1.00 0.00 C ATOM 13 O SER A 2 113.636 -8.734 23.422 1.00 0.00 O ATOM 14 CB SER A 2 115.273 -10.166 25.786 1.00 0.00 C ATOM 15 OG SER A 2 113.977 -9.960 26.334 1.00 0.00 O ATOM 0 H SER A 2 114.285 -7.445 25.330 1.00 0.00 H new ATOM 0 HA SER A 2 116.638 -9.082 24.520 1.00 0.00 H new ATOM 0 HB2 SER A 2 115.322 -11.137 25.293 1.00 0.00 H new ATOM 0 HB3 SER A 2 116.019 -10.174 26.580 1.00 0.00 H new ATOM 0 HG SER A 2 113.775 -10.674 26.974 1.00 0.00 H new ATOM 21 N LYS A 3 115.231 -9.983 22.573 1.00 0.00 N ATOM 22 CA LYS A 3 114.452 -10.210 21.324 1.00 0.00 C ATOM 23 C LYS A 3 114.257 -8.878 20.597 1.00 0.00 C ATOM 24 O LYS A 3 113.915 -7.878 21.197 1.00 0.00 O ATOM 25 CB LYS A 3 113.087 -10.804 21.676 1.00 0.00 C ATOM 26 CG LYS A 3 113.059 -12.284 21.291 1.00 0.00 C ATOM 27 CD LYS A 3 112.301 -12.455 19.972 1.00 0.00 C ATOM 28 CE LYS A 3 112.580 -13.845 19.400 1.00 0.00 C ATOM 29 NZ LYS A 3 111.491 -14.222 18.455 1.00 0.00 N ATOM 0 H LYS A 3 116.144 -10.437 22.604 1.00 0.00 H new ATOM 0 HA LYS A 3 114.993 -10.901 20.678 1.00 0.00 H new ATOM 0 HB2 LYS A 3 112.894 -10.691 22.743 1.00 0.00 H new ATOM 0 HB3 LYS A 3 112.298 -10.266 21.151 1.00 0.00 H new ATOM 0 HG2 LYS A 3 114.076 -12.664 21.190 1.00 0.00 H new ATOM 0 HG3 LYS A 3 112.578 -12.866 22.077 1.00 0.00 H new ATOM 0 HD2 LYS A 3 111.231 -12.326 20.136 1.00 0.00 H new ATOM 0 HD3 LYS A 3 112.610 -11.689 19.261 1.00 0.00 H new ATOM 0 HE2 LYS A 3 113.541 -13.852 18.885 1.00 0.00 H new ATOM 0 HE3 LYS A 3 112.645 -14.575 20.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 111.681 -15.168 18.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 110.582 -14.231 18.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 111.450 -13.530 17.679 1.00 0.00 H new ATOM 43 N VAL A 4 114.473 -8.857 19.309 1.00 0.00 N ATOM 44 CA VAL A 4 114.303 -7.592 18.541 1.00 0.00 C ATOM 45 C VAL A 4 113.038 -6.871 19.011 1.00 0.00 C ATOM 46 O VAL A 4 112.011 -7.481 19.234 1.00 0.00 O ATOM 47 CB VAL A 4 114.183 -7.914 17.050 1.00 0.00 C ATOM 48 CG1 VAL A 4 113.793 -6.649 16.283 1.00 0.00 C ATOM 49 CG2 VAL A 4 115.526 -8.430 16.532 1.00 0.00 C ATOM 0 H VAL A 4 114.761 -9.664 18.755 1.00 0.00 H new ATOM 0 HA VAL A 4 115.167 -6.949 18.707 1.00 0.00 H new ATOM 0 HB VAL A 4 113.418 -8.677 16.904 1.00 0.00 H new ATOM 0 HG11 VAL A 4 113.708 -6.879 15.221 1.00 0.00 H new ATOM 0 HG12 VAL A 4 112.836 -6.280 16.652 1.00 0.00 H new ATOM 0 HG13 VAL A 4 114.557 -5.885 16.428 1.00 0.00 H new ATOM 0 HG21 VAL A 4 115.442 -8.660 15.470 1.00 0.00 H new ATOM 0 HG22 VAL A 4 116.290 -7.667 16.679 1.00 0.00 H new ATOM 0 HG23 VAL A 4 115.804 -9.332 17.078 1.00 0.00 H new ATOM 59 N GLU A 5 113.103 -5.577 19.162 1.00 0.00 N ATOM 60 CA GLU A 5 111.904 -4.819 19.617 1.00 0.00 C ATOM 61 C GLU A 5 110.887 -4.743 18.476 1.00 0.00 C ATOM 62 O GLU A 5 111.230 -4.867 17.318 1.00 0.00 O ATOM 63 CB GLU A 5 112.317 -3.405 20.027 1.00 0.00 C ATOM 64 CG GLU A 5 112.923 -2.681 18.824 1.00 0.00 C ATOM 65 CD GLU A 5 113.887 -1.597 19.312 1.00 0.00 C ATOM 66 OE1 GLU A 5 114.436 -1.763 20.389 1.00 0.00 O ATOM 67 OE2 GLU A 5 114.058 -0.621 18.601 1.00 0.00 O ATOM 0 H GLU A 5 113.935 -5.012 18.990 1.00 0.00 H new ATOM 0 HA GLU A 5 111.456 -5.327 20.471 1.00 0.00 H new ATOM 0 HB2 GLU A 5 111.452 -2.855 20.398 1.00 0.00 H new ATOM 0 HB3 GLU A 5 113.040 -3.448 20.841 1.00 0.00 H new ATOM 0 HG2 GLU A 5 113.450 -3.391 18.187 1.00 0.00 H new ATOM 0 HG3 GLU A 5 112.134 -2.235 18.219 1.00 0.00 H new ATOM 74 N ASP A 6 109.638 -4.537 18.794 1.00 0.00 N ATOM 75 CA ASP A 6 108.604 -4.452 17.727 1.00 0.00 C ATOM 76 C ASP A 6 108.555 -3.018 17.182 1.00 0.00 C ATOM 77 O ASP A 6 108.270 -2.093 17.917 1.00 0.00 O ATOM 78 CB ASP A 6 107.238 -4.814 18.316 1.00 0.00 C ATOM 79 CG ASP A 6 106.467 -5.687 17.325 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.677 -5.523 16.134 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.680 -6.504 17.772 1.00 0.00 O ATOM 0 H ASP A 6 109.290 -4.424 19.746 1.00 0.00 H new ATOM 0 HA ASP A 6 108.851 -5.143 16.921 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.367 -5.344 19.260 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.673 -3.908 18.534 1.00 0.00 H new ATOM 86 N PRO A 7 108.831 -2.870 15.908 1.00 0.00 N ATOM 87 CA PRO A 7 108.821 -1.553 15.248 1.00 0.00 C ATOM 88 C PRO A 7 107.381 -1.109 14.975 1.00 0.00 C ATOM 89 O PRO A 7 106.612 -1.813 14.350 1.00 0.00 O ATOM 90 CB PRO A 7 109.580 -1.798 13.942 1.00 0.00 C ATOM 91 CG PRO A 7 109.489 -3.316 13.662 1.00 0.00 C ATOM 92 CD PRO A 7 109.177 -3.993 15.010 1.00 0.00 C ATOM 0 HA PRO A 7 109.272 -0.765 15.850 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.141 -1.225 13.125 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.619 -1.481 14.031 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.709 -3.529 12.931 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.425 -3.691 13.248 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.352 -4.699 14.919 1.00 0.00 H new ATOM 0 HD3 PRO A 7 110.035 -4.552 15.383 1.00 0.00 H new ATOM 100 N LYS A 8 107.010 0.050 15.443 1.00 0.00 N ATOM 101 CA LYS A 8 105.621 0.535 15.220 1.00 0.00 C ATOM 102 C LYS A 8 105.563 1.381 13.947 1.00 0.00 C ATOM 103 O LYS A 8 104.526 1.902 13.589 1.00 0.00 O ATOM 104 CB LYS A 8 105.182 1.382 16.416 1.00 0.00 C ATOM 105 CG LYS A 8 103.772 0.973 16.842 1.00 0.00 C ATOM 106 CD LYS A 8 103.768 -0.502 17.250 1.00 0.00 C ATOM 107 CE LYS A 8 103.017 -0.665 18.573 1.00 0.00 C ATOM 108 NZ LYS A 8 103.887 -1.371 19.554 1.00 0.00 N ATOM 0 H LYS A 8 107.611 0.683 15.971 1.00 0.00 H new ATOM 0 HA LYS A 8 104.954 -0.320 15.111 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.877 1.247 17.245 1.00 0.00 H new ATOM 0 HB3 LYS A 8 105.201 2.440 16.153 1.00 0.00 H new ATOM 0 HG2 LYS A 8 103.439 1.592 17.675 1.00 0.00 H new ATOM 0 HG3 LYS A 8 103.072 1.136 16.023 1.00 0.00 H new ATOM 0 HD2 LYS A 8 103.294 -1.103 16.474 1.00 0.00 H new ATOM 0 HD3 LYS A 8 104.791 -0.864 17.353 1.00 0.00 H new ATOM 0 HE2 LYS A 8 102.729 0.311 18.963 1.00 0.00 H new ATOM 0 HE3 LYS A 8 102.098 -1.229 18.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 103.377 -1.482 20.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 104.140 -2.308 19.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 104.752 -0.816 19.713 1.00 0.00 H new ATOM 122 N ASP A 9 106.663 1.527 13.257 1.00 0.00 N ATOM 123 CA ASP A 9 106.650 2.345 12.010 1.00 0.00 C ATOM 124 C ASP A 9 108.008 2.255 11.310 1.00 0.00 C ATOM 125 O ASP A 9 108.883 1.518 11.720 1.00 0.00 O ATOM 126 CB ASP A 9 106.355 3.805 12.365 1.00 0.00 C ATOM 127 CG ASP A 9 104.875 4.103 12.117 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.514 4.297 10.968 1.00 0.00 O ATOM 129 OD2 ASP A 9 104.126 4.134 13.081 1.00 0.00 O ATOM 0 H ASP A 9 107.565 1.118 13.501 1.00 0.00 H new ATOM 0 HA ASP A 9 105.878 1.965 11.340 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.605 3.994 13.409 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.976 4.469 11.764 1.00 0.00 H new ATOM 134 N PHE A 10 108.189 3.003 10.255 1.00 0.00 N ATOM 135 CA PHE A 10 109.487 2.970 9.522 1.00 0.00 C ATOM 136 C PHE A 10 110.606 3.437 10.457 1.00 0.00 C ATOM 137 O PHE A 10 110.341 3.975 11.513 1.00 0.00 O ATOM 138 CB PHE A 10 109.410 3.921 8.323 1.00 0.00 C ATOM 139 CG PHE A 10 108.921 3.179 7.102 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.561 2.879 6.962 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.827 2.801 6.104 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.107 2.201 5.825 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.372 2.122 4.966 1.00 0.00 C ATOM 144 CZ PHE A 10 108.013 1.822 4.828 1.00 0.00 C ATOM 0 H PHE A 10 107.491 3.638 9.868 1.00 0.00 H new ATOM 0 HA PHE A 10 109.690 1.955 9.180 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.738 4.749 8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.392 4.352 8.127 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.862 3.171 7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.876 3.033 6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.057 1.970 5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 10 110.071 1.830 4.196 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.662 1.297 3.951 1.00 0.00 H new ATOM 154 N PRO A 11 111.826 3.229 10.034 1.00 0.00 N ATOM 155 CA PRO A 11 113.010 3.637 10.809 1.00 0.00 C ATOM 156 C PRO A 11 113.226 5.147 10.672 1.00 0.00 C ATOM 157 O PRO A 11 112.891 5.739 9.666 1.00 0.00 O ATOM 158 CB PRO A 11 114.153 2.848 10.164 1.00 0.00 C ATOM 159 CG PRO A 11 113.679 2.482 8.737 1.00 0.00 C ATOM 160 CD PRO A 11 112.141 2.572 8.747 1.00 0.00 C ATOM 0 HA PRO A 11 112.924 3.437 11.877 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.065 3.444 10.130 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.380 1.951 10.740 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.102 3.166 8.001 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.007 1.478 8.465 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.770 3.152 7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.684 1.585 8.681 1.00 0.00 H new ATOM 168 N SER A 12 113.769 5.776 11.677 1.00 0.00 N ATOM 169 CA SER A 12 113.990 7.250 11.605 1.00 0.00 C ATOM 170 C SER A 12 115.008 7.578 10.510 1.00 0.00 C ATOM 171 O SER A 12 115.063 8.687 10.017 1.00 0.00 O ATOM 172 CB SER A 12 114.511 7.753 12.951 1.00 0.00 C ATOM 173 OG SER A 12 115.660 7.003 13.321 1.00 0.00 O ATOM 0 H SER A 12 114.070 5.334 12.546 1.00 0.00 H new ATOM 0 HA SER A 12 113.045 7.740 11.370 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.760 8.812 12.885 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.738 7.655 13.713 1.00 0.00 H new ATOM 0 HG SER A 12 115.997 7.325 14.183 1.00 0.00 H new ATOM 179 N GLU A 13 115.817 6.629 10.124 1.00 0.00 N ATOM 180 CA GLU A 13 116.828 6.900 9.064 1.00 0.00 C ATOM 181 C GLU A 13 116.129 7.086 7.714 1.00 0.00 C ATOM 182 O GLU A 13 116.756 7.388 6.718 1.00 0.00 O ATOM 183 CB GLU A 13 117.795 5.721 8.977 1.00 0.00 C ATOM 184 CG GLU A 13 118.052 5.161 10.377 1.00 0.00 C ATOM 185 CD GLU A 13 119.559 5.078 10.625 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.143 4.066 10.272 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.104 6.028 11.163 1.00 0.00 O ATOM 0 H GLU A 13 115.821 5.679 10.496 1.00 0.00 H new ATOM 0 HA GLU A 13 117.376 7.809 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.380 4.944 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 13 118.734 6.041 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 13 117.584 5.799 11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 13 117.602 4.173 10.473 1.00 0.00 H new ATOM 194 N LEU A 14 114.837 6.907 7.668 1.00 0.00 N ATOM 195 CA LEU A 14 114.111 7.074 6.378 1.00 0.00 C ATOM 196 C LEU A 14 112.872 7.948 6.589 1.00 0.00 C ATOM 197 O LEU A 14 112.061 8.116 5.700 1.00 0.00 O ATOM 198 CB LEU A 14 113.682 5.703 5.854 1.00 0.00 C ATOM 199 CG LEU A 14 114.876 5.021 5.186 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.996 3.587 5.702 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.672 5.004 3.670 1.00 0.00 C ATOM 0 H LEU A 14 114.254 6.653 8.466 1.00 0.00 H new ATOM 0 HA LEU A 14 114.770 7.553 5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.309 5.088 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.865 5.813 5.140 1.00 0.00 H new ATOM 0 HG LEU A 14 115.788 5.570 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.847 3.099 5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 14 115.142 3.600 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 14 114.085 3.038 5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 14 115.523 4.518 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 14 113.761 4.455 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 14 114.586 6.027 3.303 1.00 0.00 H new ATOM 213 N LEU A 15 112.720 8.511 7.756 1.00 0.00 N ATOM 214 CA LEU A 15 111.534 9.377 8.013 1.00 0.00 C ATOM 215 C LEU A 15 111.791 10.773 7.439 1.00 0.00 C ATOM 216 O LEU A 15 111.014 11.687 7.633 1.00 0.00 O ATOM 217 CB LEU A 15 111.291 9.478 9.521 1.00 0.00 C ATOM 218 CG LEU A 15 110.859 8.114 10.064 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.518 8.239 11.549 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.627 7.623 9.297 1.00 0.00 C ATOM 0 H LEU A 15 113.363 8.410 8.541 1.00 0.00 H new ATOM 0 HA LEU A 15 110.655 8.944 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.199 9.810 10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.522 10.223 9.727 1.00 0.00 H new ATOM 0 HG LEU A 15 111.673 7.401 9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.210 7.267 11.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.395 8.585 12.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.705 8.954 11.677 1.00 0.00 H new ATOM 0 HD21 LEU A 15 109.320 6.652 9.685 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.813 8.337 9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.870 7.531 8.238 1.00 0.00 H new ATOM 232 N SER A 16 112.877 10.944 6.734 1.00 0.00 N ATOM 233 CA SER A 16 113.184 12.279 6.148 1.00 0.00 C ATOM 234 C SER A 16 112.404 12.456 4.844 1.00 0.00 C ATOM 235 O SER A 16 112.129 13.561 4.420 1.00 0.00 O ATOM 236 CB SER A 16 114.684 12.378 5.864 1.00 0.00 C ATOM 237 OG SER A 16 115.051 11.377 4.925 1.00 0.00 O ATOM 0 H SER A 16 113.564 10.216 6.539 1.00 0.00 H new ATOM 0 HA SER A 16 112.895 13.060 6.852 1.00 0.00 H new ATOM 0 HB2 SER A 16 114.927 13.366 5.473 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.250 12.252 6.787 1.00 0.00 H new ATOM 0 HG SER A 16 115.213 11.791 4.052 1.00 0.00 H new ATOM 243 N PHE A 17 112.038 11.377 4.206 1.00 0.00 N ATOM 244 CA PHE A 17 111.270 11.491 2.933 1.00 0.00 C ATOM 245 C PHE A 17 110.096 10.512 2.962 1.00 0.00 C ATOM 246 O PHE A 17 109.937 9.691 2.080 1.00 0.00 O ATOM 247 CB PHE A 17 112.168 11.171 1.728 1.00 0.00 C ATOM 248 CG PHE A 17 113.437 10.476 2.172 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.415 9.118 2.517 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.641 11.190 2.223 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.595 8.478 2.914 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.819 10.548 2.617 1.00 0.00 C ATOM 253 CZ PHE A 17 115.796 9.191 2.962 1.00 0.00 C ATOM 0 H PHE A 17 112.237 10.424 4.510 1.00 0.00 H new ATOM 0 HA PHE A 17 110.904 12.513 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 17 111.628 10.537 1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 17 112.418 12.092 1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.488 8.565 2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 17 114.659 12.237 1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.577 7.432 3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.747 11.099 2.655 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.706 8.695 3.265 1.00 0.00 H new ATOM 263 N LEU A 18 109.272 10.592 3.969 1.00 0.00 N ATOM 264 CA LEU A 18 108.111 9.666 4.055 1.00 0.00 C ATOM 265 C LEU A 18 106.831 10.468 4.306 1.00 0.00 C ATOM 266 O LEU A 18 106.826 11.429 5.050 1.00 0.00 O ATOM 267 CB LEU A 18 108.333 8.686 5.207 1.00 0.00 C ATOM 268 CG LEU A 18 108.123 7.258 4.705 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.295 6.848 3.813 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.036 6.311 5.902 1.00 0.00 C ATOM 0 H LEU A 18 109.353 11.259 4.736 1.00 0.00 H new ATOM 0 HA LEU A 18 108.013 9.116 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.341 8.799 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.642 8.902 6.022 1.00 0.00 H new ATOM 0 HG LEU A 18 107.199 7.207 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.142 5.829 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.358 7.525 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 18 110.222 6.897 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.886 5.291 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 18 108.961 6.364 6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.199 6.602 6.536 1.00 0.00 H new ATOM 282 N SER A 19 105.747 10.081 3.692 1.00 0.00 N ATOM 283 CA SER A 19 104.470 10.820 3.895 1.00 0.00 C ATOM 284 C SER A 19 103.656 10.135 4.996 1.00 0.00 C ATOM 285 O SER A 19 103.277 8.987 4.878 1.00 0.00 O ATOM 286 CB SER A 19 103.671 10.823 2.589 1.00 0.00 C ATOM 287 OG SER A 19 102.301 10.568 2.870 1.00 0.00 O ATOM 0 H SER A 19 105.691 9.284 3.058 1.00 0.00 H new ATOM 0 HA SER A 19 104.684 11.847 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.777 11.785 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.061 10.065 1.910 1.00 0.00 H new ATOM 0 HG SER A 19 101.789 10.571 2.034 1.00 0.00 H new ATOM 293 N HIS A 20 103.386 10.830 6.068 1.00 0.00 N ATOM 294 CA HIS A 20 102.599 10.216 7.175 1.00 0.00 C ATOM 295 C HIS A 20 101.117 10.548 6.995 1.00 0.00 C ATOM 296 O HIS A 20 100.615 11.509 7.545 1.00 0.00 O ATOM 297 CB HIS A 20 103.086 10.768 8.516 1.00 0.00 C ATOM 298 CG HIS A 20 104.588 10.850 8.511 1.00 0.00 C ATOM 299 ND1 HIS A 20 105.390 9.720 8.469 1.00 0.00 N ATOM 300 CD2 HIS A 20 105.449 11.919 8.539 1.00 0.00 C ATOM 301 CE1 HIS A 20 106.671 10.131 8.473 1.00 0.00 C ATOM 302 NE2 HIS A 20 106.763 11.463 8.516 1.00 0.00 N ATOM 0 H HIS A 20 103.676 11.795 6.225 1.00 0.00 H new ATOM 0 HA HIS A 20 102.733 9.134 7.157 1.00 0.00 H new ATOM 0 HB2 HIS A 20 102.658 11.755 8.692 1.00 0.00 H new ATOM 0 HB3 HIS A 20 102.749 10.125 9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.151 12.957 8.574 1.00 0.00 H new ATOM 0 HE1 HIS A 20 107.521 9.465 8.445 1.00 0.00 H new ATOM 0 HE2 HIS A 20 107.614 12.025 8.529 1.00 0.00 H new ATOM 310 N ALA A 21 100.412 9.762 6.228 1.00 0.00 N ATOM 311 CA ALA A 21 98.962 10.031 6.013 1.00 0.00 C ATOM 312 C ALA A 21 98.315 8.824 5.332 1.00 0.00 C ATOM 313 O ALA A 21 98.720 8.412 4.263 1.00 0.00 O ATOM 314 CB ALA A 21 98.797 11.266 5.125 1.00 0.00 C ATOM 0 H ALA A 21 100.778 8.944 5.740 1.00 0.00 H new ATOM 0 HA ALA A 21 98.480 10.208 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.736 11.462 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.257 12.127 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.279 11.090 4.164 1.00 0.00 H new ATOM 320 N VAL A 22 97.313 8.254 5.942 1.00 0.00 N ATOM 321 CA VAL A 22 96.642 7.074 5.329 1.00 0.00 C ATOM 322 C VAL A 22 95.327 7.516 4.685 1.00 0.00 C ATOM 323 O VAL A 22 94.761 6.820 3.865 1.00 0.00 O ATOM 324 CB VAL A 22 96.355 6.030 6.409 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.261 4.645 5.767 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.488 6.039 7.438 1.00 0.00 C ATOM 0 H VAL A 22 96.930 8.554 6.838 1.00 0.00 H new ATOM 0 HA VAL A 22 97.292 6.640 4.570 1.00 0.00 H new ATOM 0 HB VAL A 22 95.412 6.266 6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.056 3.900 6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.456 4.638 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.204 4.408 5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.285 5.295 8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.430 5.802 6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 22 97.556 7.026 7.895 1.00 0.00 H new ATOM 336 N PHE A 23 94.835 8.669 5.050 1.00 0.00 N ATOM 337 CA PHE A 23 93.557 9.154 4.459 1.00 0.00 C ATOM 338 C PHE A 23 93.732 10.596 3.980 1.00 0.00 C ATOM 339 O PHE A 23 92.998 11.483 4.369 1.00 0.00 O ATOM 340 CB PHE A 23 92.454 9.095 5.517 1.00 0.00 C ATOM 341 CG PHE A 23 92.165 7.654 5.862 1.00 0.00 C ATOM 342 CD1 PHE A 23 92.920 7.004 6.846 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.143 6.965 5.197 1.00 0.00 C ATOM 344 CE1 PHE A 23 92.654 5.668 7.166 1.00 0.00 C ATOM 345 CE2 PHE A 23 90.876 5.628 5.516 1.00 0.00 C ATOM 346 CZ PHE A 23 91.632 4.979 6.501 1.00 0.00 C ATOM 0 H PHE A 23 95.263 9.295 5.732 1.00 0.00 H new ATOM 0 HA PHE A 23 93.283 8.523 3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 23 92.762 9.639 6.410 1.00 0.00 H new ATOM 0 HB3 PHE A 23 91.551 9.579 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 23 93.709 7.535 7.359 1.00 0.00 H new ATOM 0 HD2 PHE A 23 90.560 7.465 4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 23 93.237 5.168 7.926 1.00 0.00 H new ATOM 0 HE2 PHE A 23 90.088 5.097 5.003 1.00 0.00 H new ATOM 0 HZ PHE A 23 91.427 3.948 6.747 1.00 0.00 H new ATOM 356 N SER A 24 94.699 10.837 3.138 1.00 0.00 N ATOM 357 CA SER A 24 94.923 12.220 2.633 1.00 0.00 C ATOM 358 C SER A 24 94.209 12.393 1.290 1.00 0.00 C ATOM 359 O SER A 24 93.577 11.484 0.791 1.00 0.00 O ATOM 360 CB SER A 24 96.421 12.457 2.447 1.00 0.00 C ATOM 361 OG SER A 24 96.954 11.446 1.601 1.00 0.00 O ATOM 0 H SER A 24 95.345 10.134 2.778 1.00 0.00 H new ATOM 0 HA SER A 24 94.528 12.939 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 24 96.594 13.441 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 24 96.926 12.443 3.413 1.00 0.00 H new ATOM 0 HG SER A 24 97.915 11.595 1.478 1.00 0.00 H new ATOM 367 N ASN A 25 94.306 13.552 0.701 1.00 0.00 N ATOM 368 CA ASN A 25 93.635 13.780 -0.610 1.00 0.00 C ATOM 369 C ASN A 25 94.687 13.841 -1.717 1.00 0.00 C ATOM 370 O ASN A 25 94.459 14.395 -2.774 1.00 0.00 O ATOM 371 CB ASN A 25 92.864 15.101 -0.568 1.00 0.00 C ATOM 372 CG ASN A 25 92.325 15.336 0.843 1.00 0.00 C ATOM 373 OD1 ASN A 25 91.348 14.734 1.242 1.00 0.00 O ATOM 374 ND2 ASN A 25 92.925 16.194 1.623 1.00 0.00 N ATOM 0 H ASN A 25 94.821 14.351 1.070 1.00 0.00 H new ATOM 0 HA ASN A 25 92.943 12.962 -0.809 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.516 15.924 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 25 92.042 15.077 -1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 25 92.573 16.358 2.566 1.00 0.00 H new ATOM 0 HD22 ASN A 25 93.745 16.700 1.289 1.00 0.00 H new ATOM 381 N ARG A 26 95.842 13.280 -1.483 1.00 0.00 N ATOM 382 CA ARG A 26 96.908 13.311 -2.523 1.00 0.00 C ATOM 383 C ARG A 26 97.125 11.902 -3.078 1.00 0.00 C ATOM 384 O ARG A 26 97.069 10.925 -2.358 1.00 0.00 O ATOM 385 CB ARG A 26 98.210 13.820 -1.903 1.00 0.00 C ATOM 386 CG ARG A 26 99.242 14.058 -3.005 1.00 0.00 C ATOM 387 CD ARG A 26 100.481 14.728 -2.409 1.00 0.00 C ATOM 388 NE ARG A 26 101.578 14.729 -3.416 1.00 0.00 N ATOM 389 CZ ARG A 26 102.708 15.323 -3.150 1.00 0.00 C ATOM 390 NH1 ARG A 26 102.729 16.358 -2.355 1.00 0.00 N ATOM 391 NH2 ARG A 26 103.818 14.883 -3.678 1.00 0.00 N ATOM 0 H ARG A 26 96.093 12.802 -0.617 1.00 0.00 H new ATOM 0 HA ARG A 26 96.605 13.976 -3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.027 14.745 -1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.591 13.094 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 26 99.516 13.112 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.816 14.687 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 26 100.247 15.750 -2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.798 14.198 -1.511 1.00 0.00 H new ATOM 0 HE ARG A 26 101.445 14.265 -4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 26 101.862 16.702 -1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 26 103.613 16.823 -2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 26 103.802 14.074 -4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 26 104.701 15.348 -3.469 1.00 0.00 H new ATOM 405 N THR A 27 97.374 11.793 -4.354 1.00 0.00 N ATOM 406 CA THR A 27 97.598 10.449 -4.958 1.00 0.00 C ATOM 407 C THR A 27 99.069 10.312 -5.352 1.00 0.00 C ATOM 408 O THR A 27 99.579 11.066 -6.157 1.00 0.00 O ATOM 409 CB THR A 27 96.719 10.298 -6.202 1.00 0.00 C ATOM 410 OG1 THR A 27 96.909 11.422 -7.051 1.00 0.00 O ATOM 411 CG2 THR A 27 95.250 10.213 -5.783 1.00 0.00 C ATOM 0 H THR A 27 97.432 12.576 -5.005 1.00 0.00 H new ATOM 0 HA THR A 27 97.340 9.674 -4.236 1.00 0.00 H new ATOM 0 HB THR A 27 96.994 9.388 -6.736 1.00 0.00 H new ATOM 0 HG1 THR A 27 97.861 11.654 -7.078 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.625 10.106 -6.669 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.107 9.351 -5.131 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.971 11.122 -5.250 1.00 0.00 H new ATOM 419 N LEU A 28 99.757 9.356 -4.790 1.00 0.00 N ATOM 420 CA LEU A 28 101.197 9.175 -5.133 1.00 0.00 C ATOM 421 C LEU A 28 101.366 7.923 -5.994 1.00 0.00 C ATOM 422 O LEU A 28 100.466 7.116 -6.120 1.00 0.00 O ATOM 423 CB LEU A 28 102.010 9.015 -3.846 1.00 0.00 C ATOM 424 CG LEU A 28 101.605 10.097 -2.843 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.943 9.632 -1.425 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.368 11.386 -3.151 1.00 0.00 C ATOM 0 H LEU A 28 99.386 8.693 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 28 101.549 10.047 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 28 101.841 8.027 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 28 103.075 9.089 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 28 100.533 10.280 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 28 101.654 10.403 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 28 101.401 8.712 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 28 103.015 9.449 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 28 102.081 12.158 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 28 103.440 11.202 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 28 102.128 11.718 -4.161 1.00 0.00 H new ATOM 438 N ALA A 29 102.517 7.751 -6.583 1.00 0.00 N ATOM 439 CA ALA A 29 102.754 6.547 -7.428 1.00 0.00 C ATOM 440 C ALA A 29 103.998 5.817 -6.914 1.00 0.00 C ATOM 441 O ALA A 29 104.557 4.968 -7.579 1.00 0.00 O ATOM 442 CB ALA A 29 102.971 6.973 -8.881 1.00 0.00 C ATOM 0 H ALA A 29 103.306 8.394 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 29 101.890 5.884 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.144 6.091 -9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.087 7.500 -9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.836 7.633 -8.941 1.00 0.00 H new ATOM 448 N CYS A 30 104.431 6.144 -5.728 1.00 0.00 N ATOM 449 CA CYS A 30 105.630 5.476 -5.152 1.00 0.00 C ATOM 450 C CYS A 30 105.337 5.136 -3.691 1.00 0.00 C ATOM 451 O CYS A 30 104.879 5.969 -2.935 1.00 0.00 O ATOM 452 CB CYS A 30 106.832 6.421 -5.230 1.00 0.00 C ATOM 453 SG CYS A 30 108.191 5.760 -4.233 1.00 0.00 S ATOM 0 H CYS A 30 104.002 6.850 -5.130 1.00 0.00 H new ATOM 0 HA CYS A 30 105.858 4.568 -5.710 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.150 6.536 -6.266 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.552 7.411 -4.871 1.00 0.00 H new ATOM 0 HG CYS A 30 108.909 6.741 -3.774 1.00 0.00 H new ATOM 459 N PHE A 31 105.577 3.920 -3.285 1.00 0.00 N ATOM 460 CA PHE A 31 105.283 3.554 -1.870 1.00 0.00 C ATOM 461 C PHE A 31 106.347 2.592 -1.338 1.00 0.00 C ATOM 462 O PHE A 31 107.021 1.911 -2.088 1.00 0.00 O ATOM 463 CB PHE A 31 103.914 2.874 -1.791 1.00 0.00 C ATOM 464 CG PHE A 31 102.926 3.572 -2.701 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.084 3.511 -4.093 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.844 4.270 -2.152 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.164 4.150 -4.930 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.922 4.905 -2.988 1.00 0.00 C ATOM 469 CZ PHE A 31 101.080 4.847 -4.378 1.00 0.00 C ATOM 0 H PHE A 31 105.959 3.172 -3.863 1.00 0.00 H new ATOM 0 HA PHE A 31 105.285 4.462 -1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.004 1.826 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.549 2.894 -0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.916 2.970 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.722 4.318 -1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.289 4.107 -6.002 1.00 0.00 H new ATOM 0 HE2 PHE A 31 100.087 5.441 -2.562 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.368 5.339 -5.024 1.00 0.00 H new ATOM 479 N ALA A 32 106.491 2.526 -0.042 1.00 0.00 N ATOM 480 CA ALA A 32 107.495 1.605 0.559 1.00 0.00 C ATOM 481 C ALA A 32 106.804 0.737 1.611 1.00 0.00 C ATOM 482 O ALA A 32 106.151 1.235 2.508 1.00 0.00 O ATOM 483 CB ALA A 32 108.612 2.418 1.219 1.00 0.00 C ATOM 0 H ALA A 32 105.953 3.074 0.629 1.00 0.00 H new ATOM 0 HA ALA A 32 107.926 0.973 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.345 1.741 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.098 3.043 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.189 3.050 2.000 1.00 0.00 H new ATOM 489 N ILE A 33 106.935 -0.555 1.508 1.00 0.00 N ATOM 490 CA ILE A 33 106.278 -1.448 2.502 1.00 0.00 C ATOM 491 C ILE A 33 107.274 -1.796 3.614 1.00 0.00 C ATOM 492 O ILE A 33 108.347 -2.303 3.362 1.00 0.00 O ATOM 493 CB ILE A 33 105.815 -2.731 1.805 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.590 -2.427 0.940 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.446 -3.781 2.852 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.764 -3.067 -0.438 1.00 0.00 C ATOM 0 H ILE A 33 107.468 -1.031 0.780 1.00 0.00 H new ATOM 0 HA ILE A 33 105.417 -0.940 2.936 1.00 0.00 H new ATOM 0 HB ILE A 33 106.622 -3.112 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.689 -2.811 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.462 -1.349 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.117 -4.692 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.317 -4.000 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.641 -3.401 3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.891 -2.850 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.655 -2.662 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.870 -4.146 -0.327 1.00 0.00 H new ATOM 508 N TYR A 34 106.925 -1.528 4.841 1.00 0.00 N ATOM 509 CA TYR A 34 107.850 -1.847 5.966 1.00 0.00 C ATOM 510 C TYR A 34 107.278 -3.019 6.763 1.00 0.00 C ATOM 511 O TYR A 34 106.369 -2.858 7.553 1.00 0.00 O ATOM 512 CB TYR A 34 107.987 -0.621 6.873 1.00 0.00 C ATOM 513 CG TYR A 34 108.714 -1.001 8.140 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.857 -1.807 8.078 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.247 -0.545 9.379 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.531 -2.156 9.252 1.00 0.00 C ATOM 517 CE2 TYR A 34 108.920 -0.895 10.552 1.00 0.00 C ATOM 518 CZ TYR A 34 110.063 -1.702 10.490 1.00 0.00 C ATOM 519 OH TYR A 34 110.728 -2.047 11.649 1.00 0.00 O ATOM 0 H TYR A 34 106.040 -1.102 5.114 1.00 0.00 H new ATOM 0 HA TYR A 34 108.832 -2.116 5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.531 0.168 6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.001 -0.223 7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.218 -2.159 7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.366 0.078 9.428 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.414 -2.777 9.203 1.00 0.00 H new ATOM 0 HE2 TYR A 34 108.559 -0.543 11.507 1.00 0.00 H new ATOM 0 HH TYR A 34 111.298 -1.302 11.933 1.00 0.00 H new ATOM 529 N THR A 35 107.795 -4.201 6.560 1.00 0.00 N ATOM 530 CA THR A 35 107.263 -5.379 7.307 1.00 0.00 C ATOM 531 C THR A 35 108.331 -6.474 7.370 1.00 0.00 C ATOM 532 O THR A 35 109.370 -6.377 6.749 1.00 0.00 O ATOM 533 CB THR A 35 106.005 -5.930 6.607 1.00 0.00 C ATOM 534 OG1 THR A 35 106.291 -7.201 6.043 1.00 0.00 O ATOM 535 CG2 THR A 35 105.550 -4.977 5.496 1.00 0.00 C ATOM 0 H THR A 35 108.558 -4.402 5.914 1.00 0.00 H new ATOM 0 HA THR A 35 107.000 -5.065 8.317 1.00 0.00 H new ATOM 0 HB THR A 35 105.208 -6.023 7.345 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.857 -7.088 5.251 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.661 -5.381 5.012 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.319 -4.002 5.925 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.347 -4.870 4.760 1.00 0.00 H new ATOM 543 N THR A 36 108.079 -7.515 8.116 1.00 0.00 N ATOM 544 CA THR A 36 109.075 -8.619 8.220 1.00 0.00 C ATOM 545 C THR A 36 109.584 -8.980 6.823 1.00 0.00 C ATOM 546 O THR A 36 108.918 -8.756 5.832 1.00 0.00 O ATOM 547 CB THR A 36 108.414 -9.848 8.852 1.00 0.00 C ATOM 548 OG1 THR A 36 107.226 -10.164 8.140 1.00 0.00 O ATOM 549 CG2 THR A 36 108.070 -9.555 10.314 1.00 0.00 C ATOM 0 H THR A 36 107.226 -7.649 8.658 1.00 0.00 H new ATOM 0 HA THR A 36 109.910 -8.295 8.841 1.00 0.00 H new ATOM 0 HB THR A 36 109.103 -10.692 8.806 1.00 0.00 H new ATOM 0 HG1 THR A 36 107.403 -10.901 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.600 -10.432 10.760 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.982 -9.314 10.861 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.383 -8.710 10.364 1.00 0.00 H new ATOM 557 N LYS A 37 110.761 -9.537 6.736 1.00 0.00 N ATOM 558 CA LYS A 37 111.312 -9.912 5.408 1.00 0.00 C ATOM 559 C LYS A 37 110.378 -10.917 4.728 1.00 0.00 C ATOM 560 O LYS A 37 110.066 -10.798 3.560 1.00 0.00 O ATOM 561 CB LYS A 37 112.690 -10.547 5.604 1.00 0.00 C ATOM 562 CG LYS A 37 112.531 -11.946 6.203 1.00 0.00 C ATOM 563 CD LYS A 37 113.909 -12.517 6.547 1.00 0.00 C ATOM 564 CE LYS A 37 114.477 -13.250 5.330 1.00 0.00 C ATOM 565 NZ LYS A 37 114.142 -14.699 5.421 1.00 0.00 N ATOM 0 H LYS A 37 111.364 -9.748 7.531 1.00 0.00 H new ATOM 0 HA LYS A 37 111.399 -9.024 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 37 113.213 -10.607 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.297 -9.926 6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.911 -11.901 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 37 112.022 -12.600 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.582 -11.714 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.830 -13.201 7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 37 114.066 -12.828 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 37 115.558 -13.118 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.528 -15.197 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 114.555 -15.097 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 113.109 -14.816 5.444 1.00 0.00 H new ATOM 579 N GLU A 38 109.935 -11.910 5.451 1.00 0.00 N ATOM 580 CA GLU A 38 109.031 -12.930 4.854 1.00 0.00 C ATOM 581 C GLU A 38 107.897 -12.244 4.090 1.00 0.00 C ATOM 582 O GLU A 38 107.432 -12.735 3.081 1.00 0.00 O ATOM 583 CB GLU A 38 108.443 -13.800 5.967 1.00 0.00 C ATOM 584 CG GLU A 38 107.482 -14.827 5.362 1.00 0.00 C ATOM 585 CD GLU A 38 107.383 -16.041 6.288 1.00 0.00 C ATOM 586 OE1 GLU A 38 107.034 -15.854 7.442 1.00 0.00 O ATOM 587 OE2 GLU A 38 107.656 -17.137 5.826 1.00 0.00 O ATOM 0 H GLU A 38 110.163 -12.058 6.434 1.00 0.00 H new ATOM 0 HA GLU A 38 109.600 -13.551 4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 38 109.243 -14.308 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.917 -13.177 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 38 106.497 -14.381 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 38 107.835 -15.135 4.378 1.00 0.00 H new ATOM 594 N LYS A 39 107.441 -11.117 4.564 1.00 0.00 N ATOM 595 CA LYS A 39 106.332 -10.412 3.860 1.00 0.00 C ATOM 596 C LYS A 39 106.871 -9.729 2.603 1.00 0.00 C ATOM 597 O LYS A 39 106.421 -9.987 1.505 1.00 0.00 O ATOM 598 CB LYS A 39 105.722 -9.362 4.787 1.00 0.00 C ATOM 599 CG LYS A 39 104.285 -9.758 5.134 1.00 0.00 C ATOM 600 CD LYS A 39 103.844 -9.019 6.400 1.00 0.00 C ATOM 601 CE LYS A 39 103.766 -10.003 7.569 1.00 0.00 C ATOM 602 NZ LYS A 39 104.889 -10.977 7.477 1.00 0.00 N ATOM 0 H LYS A 39 107.787 -10.655 5.405 1.00 0.00 H new ATOM 0 HA LYS A 39 105.568 -11.137 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.316 -9.276 5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.734 -8.385 4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.619 -9.513 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 39 104.220 -10.835 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 39 104.549 -8.220 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 39 102.873 -8.551 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.815 -9.464 8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.812 -10.530 7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 104.531 -11.938 7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 105.311 -10.932 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 105.611 -10.742 8.188 1.00 0.00 H new ATOM 616 N ALA A 40 107.828 -8.854 2.752 1.00 0.00 N ATOM 617 CA ALA A 40 108.389 -8.157 1.559 1.00 0.00 C ATOM 618 C ALA A 40 108.604 -9.171 0.433 1.00 0.00 C ATOM 619 O ALA A 40 108.459 -8.858 -0.731 1.00 0.00 O ATOM 620 CB ALA A 40 109.726 -7.511 1.921 1.00 0.00 C ATOM 0 H ALA A 40 108.245 -8.592 3.645 1.00 0.00 H new ATOM 0 HA ALA A 40 107.692 -7.386 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 40 110.133 -7.003 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.576 -6.789 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.424 -8.280 2.251 1.00 0.00 H new ATOM 626 N ALA A 41 108.950 -10.383 0.771 1.00 0.00 N ATOM 627 CA ALA A 41 109.173 -11.415 -0.281 1.00 0.00 C ATOM 628 C ALA A 41 107.882 -11.628 -1.067 1.00 0.00 C ATOM 629 O ALA A 41 107.871 -11.615 -2.283 1.00 0.00 O ATOM 630 CB ALA A 41 109.593 -12.732 0.376 1.00 0.00 C ATOM 0 H ALA A 41 109.088 -10.703 1.730 1.00 0.00 H new ATOM 0 HA ALA A 41 109.959 -11.080 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.756 -13.487 -0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.515 -12.581 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.807 -13.068 1.053 1.00 0.00 H new ATOM 636 N LEU A 42 106.793 -11.825 -0.382 1.00 0.00 N ATOM 637 CA LEU A 42 105.497 -12.042 -1.081 1.00 0.00 C ATOM 638 C LEU A 42 105.063 -10.748 -1.773 1.00 0.00 C ATOM 639 O LEU A 42 104.943 -10.689 -2.980 1.00 0.00 O ATOM 640 CB LEU A 42 104.430 -12.454 -0.063 1.00 0.00 C ATOM 641 CG LEU A 42 104.659 -13.906 0.360 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.200 -14.094 1.807 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.855 -14.835 -0.552 1.00 0.00 C ATOM 0 H LEU A 42 106.744 -11.845 0.637 1.00 0.00 H new ATOM 0 HA LEU A 42 105.617 -12.830 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.472 -11.800 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.436 -12.343 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 42 105.720 -14.144 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.363 -15.129 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 42 104.770 -13.432 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.139 -13.856 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 42 104.018 -15.870 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.795 -14.596 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 42 104.179 -14.702 -1.584 1.00 0.00 H new ATOM 655 N LEU A 43 104.821 -9.712 -1.018 1.00 0.00 N ATOM 656 CA LEU A 43 104.389 -8.422 -1.629 1.00 0.00 C ATOM 657 C LEU A 43 105.250 -8.116 -2.856 1.00 0.00 C ATOM 658 O LEU A 43 104.813 -7.466 -3.784 1.00 0.00 O ATOM 659 CB LEU A 43 104.531 -7.299 -0.599 1.00 0.00 C ATOM 660 CG LEU A 43 103.952 -7.757 0.744 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.733 -6.543 1.648 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.614 -8.465 0.515 1.00 0.00 C ATOM 0 H LEU A 43 104.904 -9.703 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 43 103.347 -8.498 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.581 -7.030 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 43 104.010 -6.406 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 43 104.651 -8.446 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 43 103.321 -6.870 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.684 -6.039 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 43 103.037 -5.854 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.205 -8.789 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.916 -7.778 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.767 -9.333 -0.127 1.00 0.00 H new ATOM 674 N TYR A 44 106.464 -8.587 -2.875 1.00 0.00 N ATOM 675 CA TYR A 44 107.342 -8.333 -4.051 1.00 0.00 C ATOM 676 C TYR A 44 106.728 -9.014 -5.277 1.00 0.00 C ATOM 677 O TYR A 44 106.450 -8.383 -6.277 1.00 0.00 O ATOM 678 CB TYR A 44 108.729 -8.925 -3.773 1.00 0.00 C ATOM 679 CG TYR A 44 109.776 -8.333 -4.698 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.520 -8.184 -6.067 1.00 0.00 C ATOM 681 CD2 TYR A 44 111.027 -7.968 -4.184 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.504 -7.671 -6.916 1.00 0.00 C ATOM 683 CE2 TYR A 44 112.016 -7.461 -5.035 1.00 0.00 C ATOM 684 CZ TYR A 44 111.754 -7.315 -6.402 1.00 0.00 C ATOM 685 OH TYR A 44 112.728 -6.818 -7.245 1.00 0.00 O ATOM 0 H TYR A 44 106.887 -9.137 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 44 107.434 -7.262 -4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.007 -8.735 -2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.697 -10.007 -3.901 1.00 0.00 H new ATOM 0 HD1 TYR A 44 108.558 -8.467 -6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 44 111.229 -8.078 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.299 -7.550 -7.969 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.981 -7.183 -4.637 1.00 0.00 H new ATOM 0 HH TYR A 44 112.934 -5.892 -6.998 1.00 0.00 H new ATOM 695 N LYS A 45 106.523 -10.302 -5.207 1.00 0.00 N ATOM 696 CA LYS A 45 105.940 -11.035 -6.368 1.00 0.00 C ATOM 697 C LYS A 45 104.443 -10.734 -6.501 1.00 0.00 C ATOM 698 O LYS A 45 103.814 -11.114 -7.468 1.00 0.00 O ATOM 699 CB LYS A 45 106.135 -12.539 -6.161 1.00 0.00 C ATOM 700 CG LYS A 45 106.386 -13.214 -7.512 1.00 0.00 C ATOM 701 CD LYS A 45 107.616 -14.119 -7.411 1.00 0.00 C ATOM 702 CE LYS A 45 107.286 -15.332 -6.538 1.00 0.00 C ATOM 703 NZ LYS A 45 108.315 -16.389 -6.746 1.00 0.00 N ATOM 0 H LYS A 45 106.735 -10.880 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 45 106.445 -10.710 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.976 -12.718 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.253 -12.969 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 45 105.514 -13.799 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 45 106.539 -12.460 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.923 -14.445 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 45 108.453 -13.567 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 45 107.256 -15.040 -5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 45 106.298 -15.717 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 108.091 -17.213 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 108.323 -16.674 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.251 -16.019 -6.484 1.00 0.00 H new ATOM 717 N LYS A 46 103.861 -10.062 -5.545 1.00 0.00 N ATOM 718 CA LYS A 46 102.404 -9.757 -5.643 1.00 0.00 C ATOM 719 C LYS A 46 102.199 -8.452 -6.417 1.00 0.00 C ATOM 720 O LYS A 46 101.615 -8.435 -7.482 1.00 0.00 O ATOM 721 CB LYS A 46 101.817 -9.620 -4.238 1.00 0.00 C ATOM 722 CG LYS A 46 102.069 -10.907 -3.451 1.00 0.00 C ATOM 723 CD LYS A 46 100.990 -11.935 -3.798 1.00 0.00 C ATOM 724 CE LYS A 46 99.799 -11.762 -2.854 1.00 0.00 C ATOM 725 NZ LYS A 46 98.537 -11.740 -3.647 1.00 0.00 N ATOM 0 H LYS A 46 104.326 -9.713 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 46 101.900 -10.567 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.271 -8.772 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.747 -9.421 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 46 103.056 -11.305 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.059 -10.700 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 46 100.670 -11.807 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 46 101.393 -12.944 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.773 -12.577 -2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.902 -10.836 -2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 97.726 -11.622 -3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.564 -10.948 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 98.439 -12.634 -4.169 1.00 0.00 H new ATOM 739 N ILE A 47 102.671 -7.357 -5.888 1.00 0.00 N ATOM 740 CA ILE A 47 102.502 -6.052 -6.588 1.00 0.00 C ATOM 741 C ILE A 47 103.301 -6.058 -7.898 1.00 0.00 C ATOM 742 O ILE A 47 103.004 -5.323 -8.819 1.00 0.00 O ATOM 743 CB ILE A 47 103.006 -4.929 -5.673 1.00 0.00 C ATOM 744 CG1 ILE A 47 101.930 -4.636 -4.622 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.282 -3.672 -6.501 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.130 -3.246 -4.016 1.00 0.00 C ATOM 0 H ILE A 47 103.168 -7.309 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 47 101.449 -5.891 -6.820 1.00 0.00 H new ATOM 0 HB ILE A 47 103.930 -5.234 -5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.942 -4.701 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 47 101.968 -5.390 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.640 -2.877 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.039 -3.891 -7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.364 -3.351 -6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.355 -3.058 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 47 103.110 -3.194 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 47 102.068 -2.494 -4.802 1.00 0.00 H new ATOM 758 N MET A 48 104.317 -6.873 -7.985 1.00 0.00 N ATOM 759 CA MET A 48 105.140 -6.917 -9.229 1.00 0.00 C ATOM 760 C MET A 48 104.238 -6.883 -10.466 1.00 0.00 C ATOM 761 O MET A 48 104.624 -6.393 -11.509 1.00 0.00 O ATOM 762 CB MET A 48 105.970 -8.204 -9.244 1.00 0.00 C ATOM 763 CG MET A 48 106.870 -8.221 -10.481 1.00 0.00 C ATOM 764 SD MET A 48 108.604 -8.161 -9.965 1.00 0.00 S ATOM 765 CE MET A 48 108.836 -9.942 -9.737 1.00 0.00 C ATOM 0 H MET A 48 104.614 -7.512 -7.247 1.00 0.00 H new ATOM 0 HA MET A 48 105.799 -6.049 -9.247 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.576 -8.268 -8.340 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.312 -9.073 -9.249 1.00 0.00 H new ATOM 0 HG2 MET A 48 106.685 -9.121 -11.067 1.00 0.00 H new ATOM 0 HG3 MET A 48 106.641 -7.370 -11.123 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.858 -10.137 -9.412 1.00 0.00 H new ATOM 0 HE2 MET A 48 108.140 -10.306 -8.982 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.650 -10.457 -10.680 1.00 0.00 H new ATOM 775 N GLU A 49 103.045 -7.406 -10.373 1.00 0.00 N ATOM 776 CA GLU A 49 102.144 -7.402 -11.560 1.00 0.00 C ATOM 777 C GLU A 49 100.849 -6.651 -11.241 1.00 0.00 C ATOM 778 O GLU A 49 100.055 -6.371 -12.116 1.00 0.00 O ATOM 779 CB GLU A 49 101.811 -8.844 -11.947 1.00 0.00 C ATOM 780 CG GLU A 49 100.871 -9.450 -10.903 1.00 0.00 C ATOM 781 CD GLU A 49 100.839 -10.972 -11.066 1.00 0.00 C ATOM 782 OE1 GLU A 49 101.766 -11.616 -10.603 1.00 0.00 O ATOM 783 OE2 GLU A 49 99.889 -11.465 -11.650 1.00 0.00 O ATOM 0 H GLU A 49 102.658 -7.833 -9.532 1.00 0.00 H new ATOM 0 HA GLU A 49 102.649 -6.902 -12.387 1.00 0.00 H new ATOM 0 HB2 GLU A 49 101.343 -8.868 -12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 49 102.725 -9.434 -12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 49 101.207 -9.188 -9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 49 99.868 -9.040 -11.020 1.00 0.00 H new ATOM 790 N LYS A 50 100.625 -6.323 -9.999 1.00 0.00 N ATOM 791 CA LYS A 50 99.376 -5.594 -9.641 1.00 0.00 C ATOM 792 C LYS A 50 99.549 -4.103 -9.927 1.00 0.00 C ATOM 793 O LYS A 50 98.590 -3.372 -10.071 1.00 0.00 O ATOM 794 CB LYS A 50 99.070 -5.796 -8.156 1.00 0.00 C ATOM 795 CG LYS A 50 97.750 -5.107 -7.811 1.00 0.00 C ATOM 796 CD LYS A 50 96.610 -6.127 -7.857 1.00 0.00 C ATOM 797 CE LYS A 50 96.850 -7.215 -6.807 1.00 0.00 C ATOM 798 NZ LYS A 50 96.550 -8.550 -7.397 1.00 0.00 N ATOM 0 H LYS A 50 101.250 -6.527 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 50 98.551 -5.983 -10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.008 -6.860 -7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.877 -5.386 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.811 -4.659 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.556 -4.298 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 50 95.657 -5.631 -7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.548 -6.573 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 50 97.884 -7.182 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 50 96.218 -7.040 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.713 -9.289 -6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 95.557 -8.578 -7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 97.170 -8.715 -8.215 1.00 0.00 H new ATOM 812 N TYR A 51 100.765 -3.643 -10.014 1.00 0.00 N ATOM 813 CA TYR A 51 100.988 -2.198 -10.289 1.00 0.00 C ATOM 814 C TYR A 51 102.091 -2.035 -11.333 1.00 0.00 C ATOM 815 O TYR A 51 102.545 -0.941 -11.589 1.00 0.00 O ATOM 816 CB TYR A 51 101.420 -1.491 -9.003 1.00 0.00 C ATOM 817 CG TYR A 51 100.243 -1.369 -8.070 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.958 -2.398 -7.164 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.429 -0.230 -8.113 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.869 -2.282 -6.300 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.339 -0.115 -7.252 1.00 0.00 C ATOM 822 CZ TYR A 51 98.056 -1.141 -6.341 1.00 0.00 C ATOM 823 OH TYR A 51 96.976 -1.030 -5.489 1.00 0.00 O ATOM 0 H TYR A 51 101.611 -4.203 -9.907 1.00 0.00 H new ATOM 0 HA TYR A 51 100.061 -1.761 -10.660 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.222 -2.050 -8.521 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.816 -0.502 -9.236 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.580 -3.280 -7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.647 0.561 -8.815 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.652 -3.073 -5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.713 0.764 -7.287 1.00 0.00 H new ATOM 0 HH TYR A 51 96.520 -0.177 -5.648 1.00 0.00 H new ATOM 833 N SER A 52 102.540 -3.105 -11.929 1.00 0.00 N ATOM 834 CA SER A 52 103.631 -2.973 -12.938 1.00 0.00 C ATOM 835 C SER A 52 104.711 -2.067 -12.348 1.00 0.00 C ATOM 836 O SER A 52 105.205 -1.159 -12.988 1.00 0.00 O ATOM 837 CB SER A 52 103.075 -2.347 -14.219 1.00 0.00 C ATOM 838 OG SER A 52 101.660 -2.260 -14.122 1.00 0.00 O ATOM 0 H SER A 52 102.205 -4.054 -11.765 1.00 0.00 H new ATOM 0 HA SER A 52 104.046 -3.951 -13.179 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.503 -1.356 -14.368 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.356 -2.949 -15.083 1.00 0.00 H new ATOM 0 HG SER A 52 101.300 -1.858 -14.940 1.00 0.00 H new ATOM 844 N VAL A 53 105.054 -2.301 -11.112 1.00 0.00 N ATOM 845 CA VAL A 53 106.074 -1.461 -10.424 1.00 0.00 C ATOM 846 C VAL A 53 107.202 -1.060 -11.372 1.00 0.00 C ATOM 847 O VAL A 53 107.761 -1.876 -12.078 1.00 0.00 O ATOM 848 CB VAL A 53 106.664 -2.251 -9.258 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.615 -2.391 -8.157 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.079 -3.641 -9.745 1.00 0.00 C ATOM 0 H VAL A 53 104.664 -3.051 -10.541 1.00 0.00 H new ATOM 0 HA VAL A 53 105.586 -0.553 -10.070 1.00 0.00 H new ATOM 0 HB VAL A 53 107.535 -1.727 -8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.035 -2.955 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.316 -1.401 -7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.744 -2.917 -8.549 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.501 -4.207 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.207 -4.165 -10.135 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.826 -3.543 -10.533 1.00 0.00 H new ATOM 860 N THR A 54 107.562 0.195 -11.359 1.00 0.00 N ATOM 861 CA THR A 54 108.681 0.663 -12.220 1.00 0.00 C ATOM 862 C THR A 54 110.000 0.296 -11.532 1.00 0.00 C ATOM 863 O THR A 54 111.075 0.514 -12.056 1.00 0.00 O ATOM 864 CB THR A 54 108.591 2.180 -12.394 1.00 0.00 C ATOM 865 OG1 THR A 54 107.327 2.518 -12.946 1.00 0.00 O ATOM 866 CG2 THR A 54 109.701 2.656 -13.332 1.00 0.00 C ATOM 0 H THR A 54 107.126 0.918 -10.786 1.00 0.00 H new ATOM 0 HA THR A 54 108.628 0.193 -13.202 1.00 0.00 H new ATOM 0 HB THR A 54 108.706 2.663 -11.424 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.268 3.490 -13.056 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.635 3.737 -13.455 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.671 2.397 -12.908 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.589 2.173 -14.303 1.00 0.00 H new ATOM 874 N PHE A 55 109.915 -0.262 -10.350 1.00 0.00 N ATOM 875 CA PHE A 55 111.137 -0.657 -9.600 1.00 0.00 C ATOM 876 C PHE A 55 110.708 -1.197 -8.232 1.00 0.00 C ATOM 877 O PHE A 55 110.374 -0.446 -7.337 1.00 0.00 O ATOM 878 CB PHE A 55 112.047 0.563 -9.412 1.00 0.00 C ATOM 879 CG PHE A 55 113.079 0.266 -8.350 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.069 -0.695 -8.586 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.043 0.949 -7.129 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.021 -0.973 -7.602 1.00 0.00 C ATOM 883 CE2 PHE A 55 113.997 0.673 -6.144 1.00 0.00 C ATOM 884 CZ PHE A 55 114.987 -0.290 -6.380 1.00 0.00 C ATOM 0 H PHE A 55 109.037 -0.461 -9.870 1.00 0.00 H new ATOM 0 HA PHE A 55 111.685 -1.421 -10.151 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.539 0.811 -10.353 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.454 1.431 -9.124 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.097 -1.221 -9.529 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.278 1.690 -6.947 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.784 -1.715 -7.784 1.00 0.00 H new ATOM 0 HE2 PHE A 55 113.971 1.202 -5.203 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.723 -0.505 -5.620 1.00 0.00 H new ATOM 894 N ILE A 56 110.704 -2.492 -8.065 1.00 0.00 N ATOM 895 CA ILE A 56 110.289 -3.075 -6.758 1.00 0.00 C ATOM 896 C ILE A 56 111.504 -3.720 -6.095 1.00 0.00 C ATOM 897 O ILE A 56 111.929 -4.786 -6.477 1.00 0.00 O ATOM 898 CB ILE A 56 109.205 -4.133 -7.001 1.00 0.00 C ATOM 899 CG1 ILE A 56 108.995 -4.970 -5.733 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.640 -5.049 -8.145 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.517 -5.343 -5.610 1.00 0.00 C ATOM 0 H ILE A 56 110.970 -3.171 -8.778 1.00 0.00 H new ATOM 0 HA ILE A 56 109.892 -2.296 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 56 108.271 -3.635 -7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 56 109.607 -5.871 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.314 -4.407 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 56 108.872 -5.802 -8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 56 109.782 -4.458 -9.050 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.577 -5.541 -7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.366 -5.938 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 56 106.916 -4.435 -5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 56 107.214 -5.922 -6.482 1.00 0.00 H new ATOM 913 N SER A 57 112.082 -3.080 -5.119 1.00 0.00 N ATOM 914 CA SER A 57 113.279 -3.671 -4.460 1.00 0.00 C ATOM 915 C SER A 57 112.930 -4.145 -3.048 1.00 0.00 C ATOM 916 O SER A 57 111.897 -3.815 -2.505 1.00 0.00 O ATOM 917 CB SER A 57 114.374 -2.612 -4.371 1.00 0.00 C ATOM 918 OG SER A 57 113.778 -1.321 -4.362 1.00 0.00 O ATOM 0 H SER A 57 111.780 -2.178 -4.750 1.00 0.00 H new ATOM 0 HA SER A 57 113.622 -4.523 -5.047 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.965 -2.759 -3.467 1.00 0.00 H new ATOM 0 HB3 SER A 57 115.056 -2.705 -5.217 1.00 0.00 H new ATOM 0 HG SER A 57 113.912 -0.893 -5.233 1.00 0.00 H new ATOM 924 N ARG A 58 113.804 -4.906 -2.450 1.00 0.00 N ATOM 925 CA ARG A 58 113.561 -5.395 -1.064 1.00 0.00 C ATOM 926 C ARG A 58 114.862 -5.245 -0.271 1.00 0.00 C ATOM 927 O ARG A 58 115.834 -5.926 -0.533 1.00 0.00 O ATOM 928 CB ARG A 58 113.150 -6.868 -1.095 1.00 0.00 C ATOM 929 CG ARG A 58 113.045 -7.395 0.338 1.00 0.00 C ATOM 930 CD ARG A 58 113.037 -8.924 0.324 1.00 0.00 C ATOM 931 NE ARG A 58 112.214 -9.406 -0.820 1.00 0.00 N ATOM 932 CZ ARG A 58 112.509 -10.535 -1.406 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.980 -11.530 -0.707 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.331 -10.667 -2.692 1.00 0.00 N ATOM 0 H ARG A 58 114.684 -5.213 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 58 112.761 -4.818 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.194 -6.980 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 58 113.882 -7.450 -1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 58 113.883 -7.031 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.135 -7.021 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 58 114.055 -9.303 0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 58 112.633 -9.305 1.262 1.00 0.00 H new ATOM 0 HE ARG A 58 111.420 -8.854 -1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 58 113.118 -11.427 0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 58 113.210 -12.412 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 58 111.962 -9.889 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 58 112.561 -11.548 -3.151 1.00 0.00 H new ATOM 948 N HIS A 59 114.899 -4.347 0.678 1.00 0.00 N ATOM 949 CA HIS A 59 116.157 -4.153 1.460 1.00 0.00 C ATOM 950 C HIS A 59 115.932 -4.507 2.931 1.00 0.00 C ATOM 951 O HIS A 59 114.859 -4.911 3.330 1.00 0.00 O ATOM 952 CB HIS A 59 116.595 -2.690 1.357 1.00 0.00 C ATOM 953 CG HIS A 59 116.796 -2.324 -0.086 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.968 -1.744 -0.546 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.984 -2.451 -1.186 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.830 -1.546 -1.870 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.638 -1.960 -2.311 1.00 0.00 N ATOM 0 H HIS A 59 114.121 -3.744 0.944 1.00 0.00 H new ATOM 0 HA HIS A 59 116.929 -4.806 1.053 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.842 -2.042 1.805 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.520 -2.537 1.914 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.786 -1.510 0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.988 -2.869 -1.179 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.590 -1.106 -2.499 1.00 0.00 H new ATOM 965 N ASN A 60 116.945 -4.352 3.741 1.00 0.00 N ATOM 966 CA ASN A 60 116.807 -4.667 5.191 1.00 0.00 C ATOM 967 C ASN A 60 117.097 -3.403 6.001 1.00 0.00 C ATOM 968 O ASN A 60 118.172 -2.842 5.927 1.00 0.00 O ATOM 969 CB ASN A 60 117.809 -5.755 5.582 1.00 0.00 C ATOM 970 CG ASN A 60 117.986 -6.736 4.422 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.271 -6.336 3.311 1.00 0.00 O ATOM 972 ND2 ASN A 60 117.832 -8.012 4.637 1.00 0.00 N ATOM 0 H ASN A 60 117.867 -4.019 3.458 1.00 0.00 H new ATOM 0 HA ASN A 60 115.796 -5.020 5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 60 118.768 -5.304 5.839 1.00 0.00 H new ATOM 0 HB3 ASN A 60 117.458 -6.284 6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 60 117.951 -8.676 3.872 1.00 0.00 H new ATOM 0 HD22 ASN A 60 117.593 -8.347 5.570 1.00 0.00 H new ATOM 979 N SER A 61 116.147 -2.946 6.767 1.00 0.00 N ATOM 980 CA SER A 61 116.374 -1.712 7.570 1.00 0.00 C ATOM 981 C SER A 61 117.019 -2.070 8.911 1.00 0.00 C ATOM 982 O SER A 61 118.226 -2.119 9.034 1.00 0.00 O ATOM 983 CB SER A 61 115.040 -1.007 7.811 1.00 0.00 C ATOM 984 OG SER A 61 115.095 -0.306 9.046 1.00 0.00 O ATOM 0 H SER A 61 115.226 -3.371 6.872 1.00 0.00 H new ATOM 0 HA SER A 61 117.042 -1.047 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 61 114.829 -0.315 6.996 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.229 -1.735 7.829 1.00 0.00 H new ATOM 0 HG SER A 61 115.664 0.486 8.948 1.00 0.00 H new ATOM 990 N TYR A 62 116.228 -2.310 9.922 1.00 0.00 N ATOM 991 CA TYR A 62 116.810 -2.650 11.251 1.00 0.00 C ATOM 992 C TYR A 62 116.214 -3.962 11.763 1.00 0.00 C ATOM 993 O TYR A 62 116.913 -4.937 11.960 1.00 0.00 O ATOM 994 CB TYR A 62 116.491 -1.531 12.245 1.00 0.00 C ATOM 995 CG TYR A 62 117.579 -0.486 12.201 1.00 0.00 C ATOM 996 CD1 TYR A 62 117.612 0.449 11.159 1.00 0.00 C ATOM 997 CD2 TYR A 62 118.556 -0.450 13.203 1.00 0.00 C ATOM 998 CE1 TYR A 62 118.618 1.419 11.121 1.00 0.00 C ATOM 999 CE2 TYR A 62 119.564 0.519 13.163 1.00 0.00 C ATOM 1000 CZ TYR A 62 119.595 1.455 12.123 1.00 0.00 C ATOM 1001 OH TYR A 62 120.589 2.412 12.084 1.00 0.00 O ATOM 0 H TYR A 62 115.209 -2.285 9.885 1.00 0.00 H new ATOM 0 HA TYR A 62 117.890 -2.761 11.150 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.529 -1.079 12.002 1.00 0.00 H new ATOM 0 HB3 TYR A 62 116.406 -1.939 13.252 1.00 0.00 H new ATOM 0 HD1 TYR A 62 116.860 0.421 10.384 1.00 0.00 H new ATOM 0 HD2 TYR A 62 118.531 -1.171 14.007 1.00 0.00 H new ATOM 0 HE1 TYR A 62 118.641 2.141 10.318 1.00 0.00 H new ATOM 0 HE2 TYR A 62 120.319 0.545 13.935 1.00 0.00 H new ATOM 0 HH TYR A 62 120.456 2.991 11.304 1.00 0.00 H new ATOM 1011 N ASN A 63 114.930 -3.993 11.992 1.00 0.00 N ATOM 1012 CA ASN A 63 114.295 -5.239 12.505 1.00 0.00 C ATOM 1013 C ASN A 63 113.593 -5.980 11.366 1.00 0.00 C ATOM 1014 O ASN A 63 113.318 -7.158 11.461 1.00 0.00 O ATOM 1015 CB ASN A 63 113.271 -4.875 13.582 1.00 0.00 C ATOM 1016 CG ASN A 63 113.932 -3.980 14.632 1.00 0.00 C ATOM 1017 OD1 ASN A 63 113.281 -3.152 15.238 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.208 -4.110 14.873 1.00 0.00 N ATOM 0 H ASN A 63 114.293 -3.209 11.846 1.00 0.00 H new ATOM 0 HA ASN A 63 115.064 -5.886 12.927 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.422 -4.360 13.132 1.00 0.00 H new ATOM 0 HB3 ASN A 63 112.884 -5.779 14.051 1.00 0.00 H new ATOM 0 HD21 ASN A 63 115.658 -3.517 15.570 1.00 0.00 H new ATOM 0 HD22 ASN A 63 115.755 -4.805 14.365 1.00 0.00 H new ATOM 1025 N HIS A 64 113.293 -5.305 10.290 1.00 0.00 N ATOM 1026 CA HIS A 64 112.602 -5.991 9.162 1.00 0.00 C ATOM 1027 C HIS A 64 113.155 -5.492 7.827 1.00 0.00 C ATOM 1028 O HIS A 64 114.247 -4.964 7.754 1.00 0.00 O ATOM 1029 CB HIS A 64 111.102 -5.704 9.238 1.00 0.00 C ATOM 1030 CG HIS A 64 110.574 -6.175 10.564 1.00 0.00 C ATOM 1031 ND1 HIS A 64 109.923 -5.326 11.446 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.592 -7.404 11.173 1.00 0.00 C ATOM 1033 CE1 HIS A 64 109.580 -6.051 12.525 1.00 0.00 C ATOM 1034 NE2 HIS A 64 109.965 -7.324 12.412 1.00 0.00 N ATOM 0 H HIS A 64 113.495 -4.316 10.144 1.00 0.00 H new ATOM 0 HA HIS A 64 112.773 -7.065 9.235 1.00 0.00 H new ATOM 0 HB2 HIS A 64 110.918 -4.636 9.118 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.581 -6.210 8.425 1.00 0.00 H new ATOM 0 HD2 HIS A 64 111.027 -8.299 10.754 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.056 -5.651 13.381 1.00 0.00 H new ATOM 0 HE2 HIS A 64 109.829 -8.076 13.088 1.00 0.00 H new ATOM 1042 N ASN A 65 112.413 -5.664 6.766 1.00 0.00 N ATOM 1043 CA ASN A 65 112.899 -5.208 5.435 1.00 0.00 C ATOM 1044 C ASN A 65 111.891 -4.233 4.819 1.00 0.00 C ATOM 1045 O ASN A 65 110.772 -4.105 5.282 1.00 0.00 O ATOM 1046 CB ASN A 65 113.071 -6.420 4.517 1.00 0.00 C ATOM 1047 CG ASN A 65 114.355 -7.159 4.892 1.00 0.00 C ATOM 1048 OD1 ASN A 65 115.375 -6.989 4.257 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.349 -7.973 5.912 1.00 0.00 N ATOM 0 H ASN A 65 111.491 -6.101 6.765 1.00 0.00 H new ATOM 0 HA ASN A 65 113.857 -4.701 5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.214 -7.086 4.611 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.113 -6.099 3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.202 -8.467 6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.491 -8.116 6.446 1.00 0.00 H new ATOM 1056 N ILE A 66 112.281 -3.542 3.782 1.00 0.00 N ATOM 1057 CA ILE A 66 111.355 -2.571 3.137 1.00 0.00 C ATOM 1058 C ILE A 66 111.130 -2.966 1.676 1.00 0.00 C ATOM 1059 O ILE A 66 111.994 -2.788 0.839 1.00 0.00 O ATOM 1060 CB ILE A 66 111.979 -1.165 3.197 1.00 0.00 C ATOM 1061 CG1 ILE A 66 111.706 -0.552 4.572 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.375 -0.260 2.109 1.00 0.00 C ATOM 1063 CD1 ILE A 66 112.916 -0.777 5.480 1.00 0.00 C ATOM 0 H ILE A 66 113.204 -3.609 3.353 1.00 0.00 H new ATOM 0 HA ILE A 66 110.399 -2.574 3.661 1.00 0.00 H new ATOM 0 HB ILE A 66 113.053 -1.248 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 66 111.506 0.515 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 66 110.818 -1.004 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 66 111.828 0.730 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.570 -0.692 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.299 -0.176 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.722 -0.340 6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.096 -1.847 5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 66 113.794 -0.305 5.040 1.00 0.00 H new ATOM 1075 N LEU A 67 109.971 -3.474 1.352 1.00 0.00 N ATOM 1076 CA LEU A 67 109.709 -3.834 -0.065 1.00 0.00 C ATOM 1077 C LEU A 67 109.359 -2.552 -0.812 1.00 0.00 C ATOM 1078 O LEU A 67 108.219 -2.139 -0.870 1.00 0.00 O ATOM 1079 CB LEU A 67 108.541 -4.816 -0.175 1.00 0.00 C ATOM 1080 CG LEU A 67 108.253 -5.075 -1.658 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.982 -6.336 -2.110 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.755 -5.272 -1.872 1.00 0.00 C ATOM 0 H LEU A 67 109.205 -3.652 2.001 1.00 0.00 H new ATOM 0 HA LEU A 67 110.592 -4.311 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.784 -5.750 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.657 -4.408 0.316 1.00 0.00 H new ATOM 0 HG LEU A 67 108.597 -4.218 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.775 -6.517 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.055 -6.207 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.638 -7.186 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.559 -5.455 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.413 -6.125 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.221 -4.376 -1.554 1.00 0.00 H new ATOM 1094 N PHE A 68 110.342 -1.919 -1.371 1.00 0.00 N ATOM 1095 CA PHE A 68 110.103 -0.654 -2.106 1.00 0.00 C ATOM 1096 C PHE A 68 109.512 -0.990 -3.475 1.00 0.00 C ATOM 1097 O PHE A 68 109.838 -1.998 -4.063 1.00 0.00 O ATOM 1098 CB PHE A 68 111.455 0.043 -2.280 1.00 0.00 C ATOM 1099 CG PHE A 68 111.361 1.539 -2.067 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.318 2.119 -1.326 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.351 2.352 -2.621 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.275 3.506 -1.151 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.308 3.736 -2.448 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.269 4.316 -1.712 1.00 0.00 C ATOM 0 H PHE A 68 111.314 -2.227 -1.350 1.00 0.00 H new ATOM 0 HA PHE A 68 109.413 -0.005 -1.567 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.172 -0.378 -1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 68 111.838 -0.156 -3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 68 109.551 1.495 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.156 1.907 -3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 68 109.473 3.953 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.076 4.359 -2.882 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.234 5.387 -1.577 1.00 0.00 H new ATOM 1114 N PHE A 69 108.636 -0.168 -3.983 1.00 0.00 N ATOM 1115 CA PHE A 69 108.037 -0.475 -5.311 1.00 0.00 C ATOM 1116 C PHE A 69 107.351 0.767 -5.882 1.00 0.00 C ATOM 1117 O PHE A 69 106.572 1.426 -5.219 1.00 0.00 O ATOM 1118 CB PHE A 69 107.021 -1.612 -5.166 1.00 0.00 C ATOM 1119 CG PHE A 69 105.813 -1.133 -4.396 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.888 -0.962 -3.010 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.613 -0.871 -5.070 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.764 -0.527 -2.297 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.491 -0.437 -4.358 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.566 -0.264 -2.971 1.00 0.00 C ATOM 0 H PHE A 69 108.312 0.693 -3.542 1.00 0.00 H new ATOM 0 HA PHE A 69 108.828 -0.783 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.717 -1.966 -6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.479 -2.456 -4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.812 -1.165 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.555 -1.004 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.822 -0.394 -1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.566 -0.235 -4.878 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.700 0.072 -2.421 1.00 0.00 H new ATOM 1134 N LEU A 70 107.641 1.087 -7.115 1.00 0.00 N ATOM 1135 CA LEU A 70 107.018 2.281 -7.751 1.00 0.00 C ATOM 1136 C LEU A 70 105.744 1.859 -8.484 1.00 0.00 C ATOM 1137 O LEU A 70 105.331 0.719 -8.426 1.00 0.00 O ATOM 1138 CB LEU A 70 107.994 2.884 -8.762 1.00 0.00 C ATOM 1139 CG LEU A 70 109.141 3.566 -8.023 1.00 0.00 C ATOM 1140 CD1 LEU A 70 110.197 4.015 -9.036 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.606 4.784 -7.268 1.00 0.00 C ATOM 0 H LEU A 70 108.286 0.569 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 70 106.778 3.016 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.383 2.104 -9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.477 3.604 -9.396 1.00 0.00 H new ATOM 0 HG LEU A 70 109.588 2.869 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 70 111.019 4.503 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 70 110.575 3.147 -9.576 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.750 4.715 -9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.424 5.273 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 70 108.162 5.484 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.850 4.464 -6.551 1.00 0.00 H new ATOM 1153 N THR A 71 105.122 2.773 -9.177 1.00 0.00 N ATOM 1154 CA THR A 71 103.880 2.425 -9.919 1.00 0.00 C ATOM 1155 C THR A 71 103.664 3.432 -11.055 1.00 0.00 C ATOM 1156 O THR A 71 104.099 4.564 -10.969 1.00 0.00 O ATOM 1157 CB THR A 71 102.693 2.471 -8.962 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.748 3.677 -8.215 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.749 1.277 -8.009 1.00 0.00 C ATOM 0 H THR A 71 105.421 3.745 -9.261 1.00 0.00 H new ATOM 0 HA THR A 71 103.972 1.423 -10.338 1.00 0.00 H new ATOM 0 HB THR A 71 101.764 2.429 -9.530 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.847 4.054 -8.135 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.899 1.315 -7.328 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.713 0.351 -8.583 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.675 1.312 -7.436 1.00 0.00 H new ATOM 1167 N PRO A 72 102.998 2.984 -12.090 1.00 0.00 N ATOM 1168 CA PRO A 72 102.703 3.815 -13.271 1.00 0.00 C ATOM 1169 C PRO A 72 101.558 4.794 -12.983 1.00 0.00 C ATOM 1170 O PRO A 72 101.784 5.940 -12.648 1.00 0.00 O ATOM 1171 CB PRO A 72 102.296 2.793 -14.336 1.00 0.00 C ATOM 1172 CG PRO A 72 101.840 1.528 -13.573 1.00 0.00 C ATOM 1173 CD PRO A 72 102.482 1.605 -12.177 1.00 0.00 C ATOM 0 HA PRO A 72 103.548 4.432 -13.576 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.491 3.182 -14.960 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.132 2.567 -14.998 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.753 1.490 -13.499 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.155 0.625 -14.096 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.753 1.402 -11.392 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.282 0.873 -12.066 1.00 0.00 H new ATOM 1181 N HIS A 73 100.331 4.362 -13.119 1.00 0.00 N ATOM 1182 CA HIS A 73 99.194 5.289 -12.859 1.00 0.00 C ATOM 1183 C HIS A 73 99.307 5.847 -11.439 1.00 0.00 C ATOM 1184 O HIS A 73 100.208 5.506 -10.702 1.00 0.00 O ATOM 1185 CB HIS A 73 97.858 4.555 -13.071 1.00 0.00 C ATOM 1186 CG HIS A 73 97.449 3.768 -11.849 1.00 0.00 C ATOM 1187 ND1 HIS A 73 98.198 2.711 -11.349 1.00 0.00 N ATOM 1188 CD2 HIS A 73 96.332 3.843 -11.051 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.523 2.196 -10.300 1.00 0.00 C ATOM 1190 NE2 HIS A 73 96.381 2.849 -10.077 1.00 0.00 N ATOM 0 H HIS A 73 100.070 3.416 -13.396 1.00 0.00 H new ATOM 0 HA HIS A 73 99.229 6.124 -13.559 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.080 5.279 -13.314 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.945 3.882 -13.924 1.00 0.00 H new ATOM 0 HD2 HIS A 73 95.536 4.564 -11.163 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.866 1.357 -9.712 1.00 0.00 H new ATOM 0 HE2 HIS A 73 95.692 2.661 -9.349 1.00 0.00 H new ATOM 1198 N ARG A 74 98.421 6.724 -11.054 1.00 0.00 N ATOM 1199 CA ARG A 74 98.508 7.312 -9.686 1.00 0.00 C ATOM 1200 C ARG A 74 97.490 6.637 -8.770 1.00 0.00 C ATOM 1201 O ARG A 74 96.443 6.200 -9.204 1.00 0.00 O ATOM 1202 CB ARG A 74 98.220 8.812 -9.755 1.00 0.00 C ATOM 1203 CG ARG A 74 99.239 9.485 -10.677 1.00 0.00 C ATOM 1204 CD ARG A 74 100.507 9.810 -9.885 1.00 0.00 C ATOM 1205 NE ARG A 74 101.654 9.954 -10.826 1.00 0.00 N ATOM 1206 CZ ARG A 74 101.496 10.592 -11.953 1.00 0.00 C ATOM 1207 NH1 ARG A 74 100.985 11.792 -11.958 1.00 0.00 N ATOM 1208 NH2 ARG A 74 101.848 10.027 -13.076 1.00 0.00 N ATOM 0 H ARG A 74 97.644 7.058 -11.624 1.00 0.00 H new ATOM 0 HA ARG A 74 99.510 7.153 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 74 97.209 8.982 -10.126 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.271 9.249 -8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.478 8.828 -11.513 1.00 0.00 H new ATOM 0 HG3 ARG A 74 98.817 10.397 -11.099 1.00 0.00 H new ATOM 0 HD2 ARG A 74 100.369 10.731 -9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 74 100.711 9.019 -9.163 1.00 0.00 H new ATOM 0 HE ARG A 74 102.562 9.554 -10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 74 100.709 12.232 -11.080 1.00 0.00 H new ATOM 0 HH12 ARG A 74 100.862 12.290 -12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 74 102.246 9.088 -13.072 1.00 0.00 H new ATOM 0 HH22 ARG A 74 101.725 10.525 -13.958 1.00 0.00 H new ATOM 1222 N HIS A 75 97.793 6.540 -7.506 1.00 0.00 N ATOM 1223 CA HIS A 75 96.845 5.881 -6.563 1.00 0.00 C ATOM 1224 C HIS A 75 96.880 6.597 -5.215 1.00 0.00 C ATOM 1225 O HIS A 75 97.835 7.270 -4.881 1.00 0.00 O ATOM 1226 CB HIS A 75 97.240 4.414 -6.340 1.00 0.00 C ATOM 1227 CG HIS A 75 98.408 4.037 -7.210 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.347 4.073 -8.592 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.670 3.599 -6.904 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.539 3.662 -9.059 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.378 3.362 -8.072 1.00 0.00 N ATOM 0 H HIS A 75 98.654 6.888 -7.085 1.00 0.00 H new ATOM 0 HA HIS A 75 95.845 5.929 -6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.496 4.257 -5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.392 3.767 -6.562 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.545 4.359 -9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.055 3.460 -5.904 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.785 3.585 -10.108 1.00 0.00 H new ATOM 1239 N ARG A 76 95.853 6.438 -4.429 1.00 0.00 N ATOM 1240 CA ARG A 76 95.837 7.086 -3.093 1.00 0.00 C ATOM 1241 C ARG A 76 96.571 6.174 -2.110 1.00 0.00 C ATOM 1242 O ARG A 76 96.407 4.968 -2.128 1.00 0.00 O ATOM 1243 CB ARG A 76 94.390 7.281 -2.632 1.00 0.00 C ATOM 1244 CG ARG A 76 94.251 8.643 -1.951 1.00 0.00 C ATOM 1245 CD ARG A 76 92.832 9.177 -2.157 1.00 0.00 C ATOM 1246 NE ARG A 76 92.723 9.792 -3.510 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.590 10.301 -3.907 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.292 11.539 -3.615 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.753 9.575 -4.596 1.00 0.00 N ATOM 0 H ARG A 76 95.025 5.887 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 76 96.325 8.059 -3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.714 7.218 -3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.107 6.487 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.465 8.552 -0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.977 9.343 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 76 92.109 8.368 -2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 76 92.595 9.915 -1.390 1.00 0.00 H new ATOM 0 HE ARG A 76 93.536 9.815 -4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.946 12.107 -3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.406 11.937 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.985 8.608 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.867 9.974 -4.906 1.00 0.00 H new ATOM 1263 N VAL A 77 97.386 6.727 -1.256 1.00 0.00 N ATOM 1264 CA VAL A 77 98.123 5.872 -0.286 1.00 0.00 C ATOM 1265 C VAL A 77 97.122 5.025 0.501 1.00 0.00 C ATOM 1266 O VAL A 77 97.475 4.029 1.099 1.00 0.00 O ATOM 1267 CB VAL A 77 98.942 6.755 0.660 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.302 5.976 1.929 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.229 7.181 -0.051 1.00 0.00 C ATOM 0 H VAL A 77 97.573 7.727 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 77 98.805 5.210 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 77 98.355 7.631 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.884 6.613 2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.389 5.662 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.889 5.097 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.821 7.811 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.805 6.296 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 77 99.979 7.740 -0.953 1.00 0.00 H new ATOM 1279 N SER A 78 95.872 5.400 0.495 1.00 0.00 N ATOM 1280 CA SER A 78 94.858 4.596 1.229 1.00 0.00 C ATOM 1281 C SER A 78 94.608 3.301 0.453 1.00 0.00 C ATOM 1282 O SER A 78 94.502 2.233 1.021 1.00 0.00 O ATOM 1283 CB SER A 78 93.555 5.390 1.340 1.00 0.00 C ATOM 1284 OG SER A 78 93.103 5.734 0.037 1.00 0.00 O ATOM 0 H SER A 78 95.511 6.225 0.015 1.00 0.00 H new ATOM 0 HA SER A 78 95.218 4.366 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.798 4.799 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.714 6.291 1.932 1.00 0.00 H new ATOM 0 HG SER A 78 92.267 6.241 0.104 1.00 0.00 H new ATOM 1290 N ALA A 79 94.526 3.391 -0.847 1.00 0.00 N ATOM 1291 CA ALA A 79 94.297 2.171 -1.669 1.00 0.00 C ATOM 1292 C ALA A 79 95.537 1.278 -1.591 1.00 0.00 C ATOM 1293 O ALA A 79 95.483 0.167 -1.104 1.00 0.00 O ATOM 1294 CB ALA A 79 94.049 2.573 -3.125 1.00 0.00 C ATOM 0 H ALA A 79 94.608 4.260 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 79 93.428 1.631 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.882 1.679 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.171 3.217 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.917 3.110 -3.507 1.00 0.00 H new ATOM 1300 N ILE A 80 96.658 1.759 -2.058 1.00 0.00 N ATOM 1301 CA ILE A 80 97.901 0.936 -1.995 1.00 0.00 C ATOM 1302 C ILE A 80 98.086 0.446 -0.557 1.00 0.00 C ATOM 1303 O ILE A 80 98.503 -0.673 -0.311 1.00 0.00 O ATOM 1304 CB ILE A 80 99.104 1.792 -2.406 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.934 2.253 -3.866 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.392 0.975 -2.257 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.423 1.167 -4.832 1.00 0.00 C ATOM 0 H ILE A 80 96.767 2.682 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 80 97.823 0.086 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 80 99.165 2.669 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.886 2.478 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.494 3.174 -4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.246 1.586 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.507 0.664 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 80 100.340 0.094 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.296 1.509 -5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.477 0.962 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.844 0.256 -4.679 1.00 0.00 H new ATOM 1319 N ASN A 81 97.761 1.279 0.396 1.00 0.00 N ATOM 1320 CA ASN A 81 97.895 0.878 1.823 1.00 0.00 C ATOM 1321 C ASN A 81 97.026 -0.353 2.070 1.00 0.00 C ATOM 1322 O ASN A 81 97.428 -1.283 2.740 1.00 0.00 O ATOM 1323 CB ASN A 81 97.425 2.024 2.723 1.00 0.00 C ATOM 1324 CG ASN A 81 97.299 1.524 4.163 1.00 0.00 C ATOM 1325 OD1 ASN A 81 98.266 1.500 4.898 1.00 0.00 O ATOM 1326 ND2 ASN A 81 96.136 1.121 4.602 1.00 0.00 N ATOM 0 H ASN A 81 97.407 2.224 0.244 1.00 0.00 H new ATOM 0 HA ASN A 81 98.937 0.650 2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.133 2.852 2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.465 2.404 2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 81 96.041 0.787 5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 81 95.323 1.141 3.986 1.00 0.00 H new ATOM 1333 N ASN A 82 95.841 -0.370 1.526 1.00 0.00 N ATOM 1334 CA ASN A 82 94.950 -1.546 1.719 1.00 0.00 C ATOM 1335 C ASN A 82 95.608 -2.766 1.074 1.00 0.00 C ATOM 1336 O ASN A 82 95.474 -3.880 1.540 1.00 0.00 O ATOM 1337 CB ASN A 82 93.598 -1.281 1.055 1.00 0.00 C ATOM 1338 CG ASN A 82 92.654 -2.452 1.334 1.00 0.00 C ATOM 1339 OD1 ASN A 82 92.980 -3.341 2.095 1.00 0.00 O ATOM 1340 ND2 ASN A 82 91.490 -2.490 0.746 1.00 0.00 N ATOM 0 H ASN A 82 95.452 0.381 0.956 1.00 0.00 H new ATOM 0 HA ASN A 82 94.793 -1.725 2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.169 -0.355 1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.728 -1.153 -0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 82 90.853 -3.266 0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 82 91.217 -1.743 0.107 1.00 0.00 H new ATOM 1347 N TYR A 83 96.329 -2.556 0.007 1.00 0.00 N ATOM 1348 CA TYR A 83 97.013 -3.692 -0.671 1.00 0.00 C ATOM 1349 C TYR A 83 97.887 -4.419 0.346 1.00 0.00 C ATOM 1350 O TYR A 83 97.666 -5.572 0.660 1.00 0.00 O ATOM 1351 CB TYR A 83 97.895 -3.147 -1.801 1.00 0.00 C ATOM 1352 CG TYR A 83 98.583 -4.284 -2.527 1.00 0.00 C ATOM 1353 CD1 TYR A 83 99.538 -5.074 -1.869 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.274 -4.543 -3.868 1.00 0.00 C ATOM 1355 CE1 TYR A 83 100.175 -6.115 -2.550 1.00 0.00 C ATOM 1356 CE2 TYR A 83 98.912 -5.585 -4.547 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.864 -6.370 -3.889 1.00 0.00 C ATOM 1358 OH TYR A 83 100.494 -7.396 -4.562 1.00 0.00 O ATOM 0 H TYR A 83 96.474 -1.644 -0.425 1.00 0.00 H new ATOM 0 HA TYR A 83 96.275 -4.380 -1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 83 97.287 -2.574 -2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 83 98.640 -2.464 -1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 83 99.781 -4.877 -0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 83 97.541 -3.936 -4.379 1.00 0.00 H new ATOM 0 HE1 TYR A 83 100.908 -6.723 -2.041 1.00 0.00 H new ATOM 0 HE2 TYR A 83 98.670 -5.784 -5.580 1.00 0.00 H new ATOM 0 HH TYR A 83 99.893 -7.755 -5.248 1.00 0.00 H new ATOM 1368 N ALA A 84 98.883 -3.752 0.862 1.00 0.00 N ATOM 1369 CA ALA A 84 99.781 -4.405 1.858 1.00 0.00 C ATOM 1370 C ALA A 84 98.984 -4.764 3.113 1.00 0.00 C ATOM 1371 O ALA A 84 99.343 -5.660 3.853 1.00 0.00 O ATOM 1372 CB ALA A 84 100.910 -3.443 2.231 1.00 0.00 C ATOM 0 H ALA A 84 99.114 -2.784 0.638 1.00 0.00 H new ATOM 0 HA ALA A 84 100.201 -5.313 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.567 -3.918 2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.481 -3.188 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.487 -2.536 2.662 1.00 0.00 H new ATOM 1378 N GLN A 85 97.906 -4.073 3.360 1.00 0.00 N ATOM 1379 CA GLN A 85 97.088 -4.373 4.569 1.00 0.00 C ATOM 1380 C GLN A 85 96.344 -5.694 4.369 1.00 0.00 C ATOM 1381 O GLN A 85 95.962 -6.352 5.317 1.00 0.00 O ATOM 1382 CB GLN A 85 96.077 -3.246 4.791 1.00 0.00 C ATOM 1383 CG GLN A 85 95.758 -3.132 6.282 1.00 0.00 C ATOM 1384 CD GLN A 85 97.054 -2.925 7.068 1.00 0.00 C ATOM 1385 OE1 GLN A 85 97.174 -3.371 8.193 1.00 0.00 O ATOM 1386 NE2 GLN A 85 98.035 -2.261 6.521 1.00 0.00 N ATOM 0 H GLN A 85 97.556 -3.313 2.777 1.00 0.00 H new ATOM 0 HA GLN A 85 97.741 -4.454 5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.481 -2.303 4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.165 -3.445 4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 85 95.078 -2.298 6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.252 -4.034 6.626 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.934 -1.887 5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 85 98.903 -2.116 7.037 1.00 0.00 H new ATOM 1395 N LYS A 86 96.134 -6.087 3.143 1.00 0.00 N ATOM 1396 CA LYS A 86 95.414 -7.366 2.886 1.00 0.00 C ATOM 1397 C LYS A 86 96.362 -8.540 3.136 1.00 0.00 C ATOM 1398 O LYS A 86 95.941 -9.671 3.286 1.00 0.00 O ATOM 1399 CB LYS A 86 94.933 -7.395 1.435 1.00 0.00 C ATOM 1400 CG LYS A 86 93.537 -6.776 1.350 1.00 0.00 C ATOM 1401 CD LYS A 86 93.161 -6.558 -0.116 1.00 0.00 C ATOM 1402 CE LYS A 86 91.651 -6.735 -0.287 1.00 0.00 C ATOM 1403 NZ LYS A 86 91.319 -8.188 -0.280 1.00 0.00 N ATOM 0 H LYS A 86 96.429 -5.579 2.309 1.00 0.00 H new ATOM 0 HA LYS A 86 94.556 -7.444 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.626 -6.844 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.911 -8.421 1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.808 -7.430 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.516 -5.827 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 86 93.459 -5.559 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.695 -7.267 -0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.121 -6.226 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.324 -6.280 -1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.374 -8.330 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.023 -8.708 -0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 91.328 -8.541 0.698 1.00 0.00 H new ATOM 1417 N LEU A 87 97.640 -8.281 3.182 1.00 0.00 N ATOM 1418 CA LEU A 87 98.617 -9.378 3.424 1.00 0.00 C ATOM 1419 C LEU A 87 99.147 -9.276 4.856 1.00 0.00 C ATOM 1420 O LEU A 87 100.338 -9.311 5.091 1.00 0.00 O ATOM 1421 CB LEU A 87 99.780 -9.249 2.436 1.00 0.00 C ATOM 1422 CG LEU A 87 99.231 -9.137 1.013 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.144 -7.664 0.615 1.00 0.00 C ATOM 1424 CD2 LEU A 87 100.164 -9.869 0.047 1.00 0.00 C ATOM 0 H LEU A 87 98.050 -7.355 3.062 1.00 0.00 H new ATOM 0 HA LEU A 87 98.129 -10.342 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.379 -8.371 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.437 -10.115 2.516 1.00 0.00 H new ATOM 0 HG LEU A 87 98.238 -9.585 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 87 98.753 -7.584 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 87 98.480 -7.140 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.137 -7.216 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.773 -9.789 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 87 101.156 -9.420 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 87 100.228 -10.920 0.329 1.00 0.00 H new ATOM 1436 N CYS A 88 98.269 -9.151 5.815 1.00 0.00 N ATOM 1437 CA CYS A 88 98.723 -9.045 7.231 1.00 0.00 C ATOM 1438 C CYS A 88 98.027 -10.117 8.074 1.00 0.00 C ATOM 1439 O CYS A 88 97.817 -9.948 9.258 1.00 0.00 O ATOM 1440 CB CYS A 88 98.367 -7.661 7.777 1.00 0.00 C ATOM 1441 SG CYS A 88 99.052 -7.475 9.442 1.00 0.00 S ATOM 0 H CYS A 88 97.259 -9.118 5.679 1.00 0.00 H new ATOM 0 HA CYS A 88 99.802 -9.190 7.277 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.763 -6.886 7.121 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.285 -7.535 7.801 1.00 0.00 H new ATOM 0 HG CYS A 88 99.909 -8.426 9.667 1.00 0.00 H new ATOM 1447 N THR A 89 97.666 -11.218 7.473 1.00 0.00 N ATOM 1448 CA THR A 89 96.984 -12.297 8.244 1.00 0.00 C ATOM 1449 C THR A 89 98.016 -13.338 8.687 1.00 0.00 C ATOM 1450 O THR A 89 97.748 -14.523 8.711 1.00 0.00 O ATOM 1451 CB THR A 89 95.928 -12.966 7.360 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.435 -13.103 6.040 1.00 0.00 O ATOM 1453 CG2 THR A 89 94.662 -12.109 7.337 1.00 0.00 C ATOM 0 H THR A 89 97.813 -11.417 6.484 1.00 0.00 H new ATOM 0 HA THR A 89 96.502 -11.868 9.123 1.00 0.00 H new ATOM 0 HB THR A 89 95.689 -13.951 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.398 -13.282 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 89 93.911 -12.586 6.707 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.274 -12.006 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 89 94.897 -11.123 6.937 1.00 0.00 H new ATOM 1461 N PHE A 90 99.195 -12.902 9.037 1.00 0.00 N ATOM 1462 CA PHE A 90 100.247 -13.862 9.480 1.00 0.00 C ATOM 1463 C PHE A 90 101.233 -13.142 10.402 1.00 0.00 C ATOM 1464 O PHE A 90 101.651 -13.669 11.414 1.00 0.00 O ATOM 1465 CB PHE A 90 101.001 -14.423 8.264 1.00 0.00 C ATOM 1466 CG PHE A 90 100.791 -13.528 7.062 1.00 0.00 C ATOM 1467 CD1 PHE A 90 99.668 -13.707 6.245 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.718 -12.520 6.768 1.00 0.00 C ATOM 1469 CE1 PHE A 90 99.472 -12.879 5.134 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.522 -11.692 5.656 1.00 0.00 C ATOM 1471 CZ PHE A 90 100.399 -11.872 4.840 1.00 0.00 C ATOM 0 H PHE A 90 99.476 -11.921 9.036 1.00 0.00 H new ATOM 0 HA PHE A 90 99.774 -14.686 10.014 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.065 -14.498 8.489 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.650 -15.431 8.042 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.953 -14.484 6.472 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.584 -12.381 7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.606 -13.017 4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.237 -10.915 5.428 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.247 -11.233 3.982 1.00 0.00 H new ATOM 1481 N SER A 91 101.607 -11.939 10.060 1.00 0.00 N ATOM 1482 CA SER A 91 102.563 -11.181 10.917 1.00 0.00 C ATOM 1483 C SER A 91 102.163 -9.705 10.938 1.00 0.00 C ATOM 1484 O SER A 91 101.096 -9.336 10.492 1.00 0.00 O ATOM 1485 CB SER A 91 103.977 -11.317 10.349 1.00 0.00 C ATOM 1486 OG SER A 91 104.817 -11.924 11.323 1.00 0.00 O ATOM 0 H SER A 91 101.292 -11.448 9.223 1.00 0.00 H new ATOM 0 HA SER A 91 102.540 -11.581 11.931 1.00 0.00 H new ATOM 0 HB2 SER A 91 103.960 -11.919 9.440 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.367 -10.337 10.075 1.00 0.00 H new ATOM 0 HG SER A 91 105.724 -12.015 10.962 1.00 0.00 H new ATOM 1492 N PHE A 92 103.011 -8.857 11.453 1.00 0.00 N ATOM 1493 CA PHE A 92 102.674 -7.407 11.498 1.00 0.00 C ATOM 1494 C PHE A 92 102.834 -6.807 10.097 1.00 0.00 C ATOM 1495 O PHE A 92 103.300 -7.458 9.183 1.00 0.00 O ATOM 1496 CB PHE A 92 103.600 -6.693 12.498 1.00 0.00 C ATOM 1497 CG PHE A 92 104.895 -6.286 11.825 1.00 0.00 C ATOM 1498 CD1 PHE A 92 104.982 -5.047 11.179 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.003 -7.142 11.851 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.174 -4.665 10.557 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.195 -6.758 11.228 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.281 -5.520 10.581 1.00 0.00 C ATOM 0 H PHE A 92 103.920 -9.105 11.843 1.00 0.00 H new ATOM 0 HA PHE A 92 101.642 -7.276 11.824 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.100 -5.812 12.900 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.812 -7.352 13.340 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.128 -4.386 11.161 1.00 0.00 H new ATOM 0 HD2 PHE A 92 105.937 -8.097 12.351 1.00 0.00 H new ATOM 0 HE1 PHE A 92 106.240 -3.710 10.058 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.050 -7.418 11.246 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.202 -5.225 10.100 1.00 0.00 H new ATOM 1512 N LEU A 93 102.453 -5.572 9.920 1.00 0.00 N ATOM 1513 CA LEU A 93 102.590 -4.938 8.578 1.00 0.00 C ATOM 1514 C LEU A 93 102.560 -3.416 8.724 1.00 0.00 C ATOM 1515 O LEU A 93 101.734 -2.865 9.425 1.00 0.00 O ATOM 1516 CB LEU A 93 101.435 -5.388 7.681 1.00 0.00 C ATOM 1517 CG LEU A 93 101.515 -4.651 6.343 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.626 -5.667 5.204 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.252 -3.808 6.151 1.00 0.00 C ATOM 0 H LEU A 93 102.054 -4.975 10.645 1.00 0.00 H new ATOM 0 HA LEU A 93 103.537 -5.239 8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.484 -6.465 7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.481 -5.181 8.166 1.00 0.00 H new ATOM 0 HG LEU A 93 102.392 -4.003 6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.683 -5.141 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.524 -6.269 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.750 -6.316 5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.307 -3.282 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.377 -4.457 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.172 -3.083 6.961 1.00 0.00 H new ATOM 1531 N ILE A 94 103.456 -2.732 8.066 1.00 0.00 N ATOM 1532 CA ILE A 94 103.479 -1.245 8.163 1.00 0.00 C ATOM 1533 C ILE A 94 103.762 -0.652 6.782 1.00 0.00 C ATOM 1534 O ILE A 94 104.849 -0.188 6.503 1.00 0.00 O ATOM 1535 CB ILE A 94 104.576 -0.814 9.138 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.246 -1.333 10.539 1.00 0.00 C ATOM 1537 CG2 ILE A 94 104.660 0.713 9.170 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.534 -1.774 11.238 1.00 0.00 C ATOM 0 H ILE A 94 104.173 -3.139 7.465 1.00 0.00 H new ATOM 0 HA ILE A 94 102.514 -0.888 8.523 1.00 0.00 H new ATOM 0 HB ILE A 94 105.532 -1.225 8.812 1.00 0.00 H new ATOM 0 HG12 ILE A 94 103.753 -0.554 11.120 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.551 -2.170 10.474 1.00 0.00 H new ATOM 0 HG21 ILE A 94 105.442 1.020 9.865 1.00 0.00 H new ATOM 0 HG22 ILE A 94 104.894 1.085 8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.704 1.123 9.495 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.298 -2.144 12.236 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.008 -2.567 10.660 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.214 -0.926 11.317 1.00 0.00 H new ATOM 1550 N CYS A 95 102.789 -0.667 5.912 1.00 0.00 N ATOM 1551 CA CYS A 95 103.001 -0.108 4.548 1.00 0.00 C ATOM 1552 C CYS A 95 102.688 1.390 4.555 1.00 0.00 C ATOM 1553 O CYS A 95 101.706 1.826 5.123 1.00 0.00 O ATOM 1554 CB CYS A 95 102.075 -0.816 3.557 1.00 0.00 C ATOM 1555 SG CYS A 95 102.226 -0.044 1.928 1.00 0.00 S ATOM 0 H CYS A 95 101.857 -1.042 6.087 1.00 0.00 H new ATOM 0 HA CYS A 95 104.038 -0.261 4.251 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.332 -1.873 3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.043 -0.759 3.903 1.00 0.00 H new ATOM 0 HG CYS A 95 101.440 -0.648 1.087 1.00 0.00 H new ATOM 1561 N LYS A 96 103.514 2.182 3.928 1.00 0.00 N ATOM 1562 CA LYS A 96 103.263 3.651 3.899 1.00 0.00 C ATOM 1563 C LYS A 96 103.608 4.199 2.512 1.00 0.00 C ATOM 1564 O LYS A 96 104.245 3.539 1.715 1.00 0.00 O ATOM 1565 CB LYS A 96 104.136 4.339 4.951 1.00 0.00 C ATOM 1566 CG LYS A 96 103.640 3.966 6.350 1.00 0.00 C ATOM 1567 CD LYS A 96 102.558 4.956 6.790 1.00 0.00 C ATOM 1568 CE LYS A 96 102.285 4.782 8.286 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.738 5.998 9.019 1.00 0.00 N ATOM 0 H LYS A 96 104.352 1.875 3.434 1.00 0.00 H new ATOM 0 HA LYS A 96 102.213 3.845 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 96 105.176 4.037 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.101 5.420 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.240 2.952 6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 96 104.469 3.980 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 96 102.879 5.977 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 96 101.644 4.789 6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 96 101.221 4.618 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 96 102.807 3.902 8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 103.265 5.714 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 103.354 6.565 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 101.911 6.564 9.297 1.00 0.00 H new ATOM 1583 N GLY A 97 103.192 5.401 2.217 1.00 0.00 N ATOM 1584 CA GLY A 97 103.498 5.988 0.882 1.00 0.00 C ATOM 1585 C GLY A 97 104.848 6.704 0.936 1.00 0.00 C ATOM 1586 O GLY A 97 105.405 6.921 1.994 1.00 0.00 O ATOM 0 H GLY A 97 102.654 6.001 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.520 5.204 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.714 6.688 0.593 1.00 0.00 H new ATOM 1590 N VAL A 98 105.380 7.072 -0.197 1.00 0.00 N ATOM 1591 CA VAL A 98 106.694 7.775 -0.211 1.00 0.00 C ATOM 1592 C VAL A 98 106.606 9.001 -1.122 1.00 0.00 C ATOM 1593 O VAL A 98 105.944 8.983 -2.141 1.00 0.00 O ATOM 1594 CB VAL A 98 107.773 6.826 -0.735 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.120 7.549 -0.762 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.870 5.607 0.185 1.00 0.00 C ATOM 0 H VAL A 98 104.961 6.916 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 98 106.949 8.092 0.800 1.00 0.00 H new ATOM 0 HB VAL A 98 107.513 6.503 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.889 6.872 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.053 8.419 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.380 7.872 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.639 4.930 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.130 5.931 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.911 5.090 0.206 1.00 0.00 H new ATOM 1606 N ASN A 99 107.265 10.068 -0.764 1.00 0.00 N ATOM 1607 CA ASN A 99 107.217 11.293 -1.612 1.00 0.00 C ATOM 1608 C ASN A 99 108.427 11.312 -2.547 1.00 0.00 C ATOM 1609 O ASN A 99 108.348 11.764 -3.671 1.00 0.00 O ATOM 1610 CB ASN A 99 107.241 12.534 -0.718 1.00 0.00 C ATOM 1611 CG ASN A 99 105.808 13.005 -0.462 1.00 0.00 C ATOM 1612 OD1 ASN A 99 105.061 13.247 -1.388 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.390 13.147 0.767 1.00 0.00 N ATOM 0 H ASN A 99 107.835 10.145 0.079 1.00 0.00 H new ATOM 0 HA ASN A 99 106.301 11.291 -2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.734 12.305 0.227 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.817 13.328 -1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.437 13.461 0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 99 106.017 12.944 1.546 1.00 0.00 H new ATOM 1620 N LYS A 100 109.547 10.822 -2.092 1.00 0.00 N ATOM 1621 CA LYS A 100 110.761 10.811 -2.956 1.00 0.00 C ATOM 1622 C LYS A 100 111.391 9.418 -2.928 1.00 0.00 C ATOM 1623 O LYS A 100 112.058 9.046 -1.983 1.00 0.00 O ATOM 1624 CB LYS A 100 111.768 11.837 -2.436 1.00 0.00 C ATOM 1625 CG LYS A 100 111.899 12.978 -3.446 1.00 0.00 C ATOM 1626 CD LYS A 100 112.336 14.255 -2.724 1.00 0.00 C ATOM 1627 CE LYS A 100 112.311 15.429 -3.704 1.00 0.00 C ATOM 1628 NZ LYS A 100 113.242 16.491 -3.231 1.00 0.00 N ATOM 0 H LYS A 100 109.674 10.429 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 100 110.482 11.064 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.442 12.226 -1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.737 11.364 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 100 112.626 12.715 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 100 110.947 13.141 -3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 100 111.672 14.455 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.339 14.130 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.602 15.092 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 100 111.300 15.827 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 113.225 17.289 -3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 112.945 16.819 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 114.207 16.107 -3.175 1.00 0.00 H new ATOM 1642 N GLU A 101 111.182 8.642 -3.955 1.00 0.00 N ATOM 1643 CA GLU A 101 111.765 7.273 -3.986 1.00 0.00 C ATOM 1644 C GLU A 101 113.292 7.363 -3.976 1.00 0.00 C ATOM 1645 O GLU A 101 113.947 6.810 -3.117 1.00 0.00 O ATOM 1646 CB GLU A 101 111.304 6.552 -5.254 1.00 0.00 C ATOM 1647 CG GLU A 101 111.168 5.055 -4.969 1.00 0.00 C ATOM 1648 CD GLU A 101 112.514 4.367 -5.195 1.00 0.00 C ATOM 1649 OE1 GLU A 101 113.525 5.043 -5.102 1.00 0.00 O ATOM 1650 OE2 GLU A 101 112.512 3.174 -5.456 1.00 0.00 O ATOM 0 H GLU A 101 110.632 8.898 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 101 111.431 6.718 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 101 110.349 6.957 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 101 112.020 6.716 -6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 101 110.836 4.898 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 101 110.411 4.618 -5.620 1.00 0.00 H new ATOM 1657 N TYR A 102 113.863 8.049 -4.929 1.00 0.00 N ATOM 1658 CA TYR A 102 115.350 8.170 -4.981 1.00 0.00 C ATOM 1659 C TYR A 102 115.914 8.368 -3.570 1.00 0.00 C ATOM 1660 O TYR A 102 116.774 7.633 -3.129 1.00 0.00 O ATOM 1661 CB TYR A 102 115.734 9.369 -5.849 1.00 0.00 C ATOM 1662 CG TYR A 102 117.232 9.389 -6.043 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.825 8.553 -6.995 1.00 0.00 C ATOM 1664 CD2 TYR A 102 118.027 10.245 -5.272 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.213 8.569 -7.176 1.00 0.00 C ATOM 1666 CE2 TYR A 102 119.416 10.263 -5.452 1.00 0.00 C ATOM 1667 CZ TYR A 102 120.008 9.425 -6.405 1.00 0.00 C ATOM 1668 OH TYR A 102 121.377 9.442 -6.583 1.00 0.00 O ATOM 0 H TYR A 102 113.363 8.532 -5.676 1.00 0.00 H new ATOM 0 HA TYR A 102 115.764 7.256 -5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.232 9.308 -6.815 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.405 10.294 -5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.211 7.894 -7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 102 117.569 10.892 -4.538 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.670 7.922 -7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 102 120.030 10.923 -4.856 1.00 0.00 H new ATOM 0 HH TYR A 102 121.779 10.092 -5.970 1.00 0.00 H new ATOM 1678 N LEU A 103 115.439 9.356 -2.863 1.00 0.00 N ATOM 1679 CA LEU A 103 115.953 9.601 -1.486 1.00 0.00 C ATOM 1680 C LEU A 103 115.866 8.322 -0.651 1.00 0.00 C ATOM 1681 O LEU A 103 116.855 7.836 -0.142 1.00 0.00 O ATOM 1682 CB LEU A 103 115.129 10.695 -0.821 1.00 0.00 C ATOM 1683 CG LEU A 103 116.056 11.848 -0.441 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.271 11.307 0.314 1.00 0.00 C ATOM 1685 CD2 LEU A 103 116.525 12.565 -1.707 1.00 0.00 C ATOM 0 H LEU A 103 114.717 10.004 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 103 116.996 9.913 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.350 11.045 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.629 10.305 0.066 1.00 0.00 H new ATOM 0 HG LEU A 103 115.515 12.547 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.930 12.133 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.940 10.797 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.811 10.605 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 103 117.186 13.388 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.062 11.863 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 103 115.661 12.956 -2.245 1.00 0.00 H new ATOM 1697 N MET A 104 114.690 7.778 -0.496 1.00 0.00 N ATOM 1698 CA MET A 104 114.544 6.535 0.315 1.00 0.00 C ATOM 1699 C MET A 104 115.560 5.491 -0.154 1.00 0.00 C ATOM 1700 O MET A 104 116.473 5.137 0.566 1.00 0.00 O ATOM 1701 CB MET A 104 113.128 5.981 0.149 1.00 0.00 C ATOM 1702 CG MET A 104 113.010 4.649 0.889 1.00 0.00 C ATOM 1703 SD MET A 104 111.630 4.729 2.059 1.00 0.00 S ATOM 1704 CE MET A 104 112.053 3.249 3.010 1.00 0.00 C ATOM 0 H MET A 104 113.824 8.140 -0.895 1.00 0.00 H new ATOM 0 HA MET A 104 114.724 6.766 1.365 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.400 6.692 0.540 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.902 5.843 -0.908 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.851 3.838 0.178 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.938 4.431 1.418 1.00 0.00 H new ATOM 0 HE1 MET A 104 111.311 2.473 2.824 1.00 0.00 H new ATOM 0 HE2 MET A 104 113.037 2.891 2.707 1.00 0.00 H new ATOM 0 HE3 MET A 104 112.066 3.491 4.073 1.00 0.00 H new ATOM 1714 N TYR A 105 115.406 4.993 -1.351 1.00 0.00 N ATOM 1715 CA TYR A 105 116.361 3.972 -1.866 1.00 0.00 C ATOM 1716 C TYR A 105 117.788 4.364 -1.479 1.00 0.00 C ATOM 1717 O TYR A 105 118.647 3.524 -1.307 1.00 0.00 O ATOM 1718 CB TYR A 105 116.251 3.892 -3.388 1.00 0.00 C ATOM 1719 CG TYR A 105 117.119 2.767 -3.893 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.640 1.453 -3.868 1.00 0.00 C ATOM 1721 CD2 TYR A 105 118.402 3.037 -4.382 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.445 0.407 -4.334 1.00 0.00 C ATOM 1723 CE2 TYR A 105 119.207 1.992 -4.847 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.729 0.677 -4.822 1.00 0.00 C ATOM 1725 OH TYR A 105 119.523 -0.354 -5.283 1.00 0.00 O ATOM 0 H TYR A 105 114.658 5.250 -1.995 1.00 0.00 H new ATOM 0 HA TYR A 105 116.121 3.001 -1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.214 3.726 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.562 4.836 -3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.650 1.246 -3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.771 4.052 -4.400 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.076 -0.608 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR A 105 120.197 2.200 -5.225 1.00 0.00 H new ATOM 0 HH TYR A 105 120.100 -0.025 -6.004 1.00 0.00 H new ATOM 1735 N SER A 106 118.045 5.635 -1.331 1.00 0.00 N ATOM 1736 CA SER A 106 119.412 6.077 -0.943 1.00 0.00 C ATOM 1737 C SER A 106 119.654 5.703 0.523 1.00 0.00 C ATOM 1738 O SER A 106 120.646 5.093 0.864 1.00 0.00 O ATOM 1739 CB SER A 106 119.532 7.593 -1.126 1.00 0.00 C ATOM 1740 OG SER A 106 119.835 8.206 0.121 1.00 0.00 O ATOM 0 H SER A 106 117.367 6.385 -1.462 1.00 0.00 H new ATOM 0 HA SER A 106 120.156 5.588 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.312 7.820 -1.852 1.00 0.00 H new ATOM 0 HB3 SER A 106 118.600 7.996 -1.523 1.00 0.00 H new ATOM 0 HG SER A 106 119.912 9.175 -0.001 1.00 0.00 H new ATOM 1746 N ALA A 107 118.743 6.058 1.390 1.00 0.00 N ATOM 1747 CA ALA A 107 118.911 5.714 2.830 1.00 0.00 C ATOM 1748 C ALA A 107 118.756 4.201 3.005 1.00 0.00 C ATOM 1749 O ALA A 107 118.994 3.660 4.067 1.00 0.00 O ATOM 1750 CB ALA A 107 117.843 6.438 3.658 1.00 0.00 C ATOM 0 H ALA A 107 117.891 6.571 1.162 1.00 0.00 H new ATOM 0 HA ALA A 107 119.900 6.024 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 107 117.966 6.186 4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 107 117.950 7.515 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 107 116.852 6.129 3.325 1.00 0.00 H new ATOM 1756 N LEU A 108 118.355 3.515 1.968 1.00 0.00 N ATOM 1757 CA LEU A 108 118.179 2.038 2.067 1.00 0.00 C ATOM 1758 C LEU A 108 119.486 1.334 1.688 1.00 0.00 C ATOM 1759 O LEU A 108 119.898 0.385 2.324 1.00 0.00 O ATOM 1760 CB LEU A 108 117.071 1.598 1.107 1.00 0.00 C ATOM 1761 CG LEU A 108 115.713 1.728 1.798 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.612 1.244 0.851 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.701 0.874 3.069 1.00 0.00 C ATOM 0 H LEU A 108 118.141 3.916 1.055 1.00 0.00 H new ATOM 0 HA LEU A 108 117.910 1.773 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.092 2.211 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.234 0.566 0.795 1.00 0.00 H new ATOM 0 HG LEU A 108 115.538 2.772 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.643 1.336 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.619 1.850 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.789 0.201 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.733 0.967 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.876 -0.170 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.485 1.216 3.744 1.00 0.00 H new ATOM 1775 N THR A 109 120.135 1.786 0.650 1.00 0.00 N ATOM 1776 CA THR A 109 121.409 1.137 0.226 1.00 0.00 C ATOM 1777 C THR A 109 122.560 1.638 1.100 1.00 0.00 C ATOM 1778 O THR A 109 123.589 1.000 1.210 1.00 0.00 O ATOM 1779 CB THR A 109 121.692 1.483 -1.238 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.932 2.879 -1.355 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.487 1.096 -2.097 1.00 0.00 C ATOM 0 H THR A 109 119.839 2.576 0.077 1.00 0.00 H new ATOM 0 HA THR A 109 121.318 0.056 0.336 1.00 0.00 H new ATOM 0 HB THR A 109 122.569 0.934 -1.579 1.00 0.00 H new ATOM 0 HG1 THR A 109 122.115 3.102 -2.292 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.689 1.343 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.304 0.025 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.608 1.644 -1.758 1.00 0.00 H new ATOM 1789 N ARG A 110 122.400 2.773 1.722 1.00 0.00 N ATOM 1790 CA ARG A 110 123.491 3.306 2.586 1.00 0.00 C ATOM 1791 C ARG A 110 123.378 2.696 3.983 1.00 0.00 C ATOM 1792 O ARG A 110 122.368 2.827 4.647 1.00 0.00 O ATOM 1793 CB ARG A 110 123.370 4.829 2.679 1.00 0.00 C ATOM 1794 CG ARG A 110 124.605 5.477 2.052 1.00 0.00 C ATOM 1795 CD ARG A 110 125.805 5.300 2.984 1.00 0.00 C ATOM 1796 NE ARG A 110 126.838 4.463 2.310 1.00 0.00 N ATOM 1797 CZ ARG A 110 128.102 4.651 2.572 1.00 0.00 C ATOM 1798 NH1 ARG A 110 128.667 4.006 3.555 1.00 0.00 N ATOM 1799 NH2 ARG A 110 128.802 5.484 1.850 1.00 0.00 N ATOM 0 H ARG A 110 121.563 3.354 1.670 1.00 0.00 H new ATOM 0 HA ARG A 110 124.458 3.046 2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.469 5.165 2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.275 5.134 3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 110 124.814 5.024 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 110 124.422 6.537 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 110 126.223 6.272 3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 110 125.490 4.828 3.915 1.00 0.00 H new ATOM 0 HE ARG A 110 126.557 3.743 1.644 1.00 0.00 H new ATOM 0 HH11 ARG A 110 128.120 3.355 4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 110 129.655 4.153 3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 110 128.360 5.988 1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 110 129.790 5.631 2.055 1.00 0.00 H new ATOM 1813 N ASP A 111 124.407 2.030 4.434 1.00 0.00 N ATOM 1814 CA ASP A 111 124.365 1.408 5.789 1.00 0.00 C ATOM 1815 C ASP A 111 123.709 2.377 6.777 1.00 0.00 C ATOM 1816 O ASP A 111 123.683 3.570 6.548 1.00 0.00 O ATOM 1817 CB ASP A 111 125.791 1.098 6.250 1.00 0.00 C ATOM 1818 CG ASP A 111 126.094 -0.384 6.018 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.662 -1.190 6.825 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.753 -0.686 5.036 1.00 0.00 O ATOM 0 H ASP A 111 125.277 1.890 3.921 1.00 0.00 H new ATOM 0 HA ASP A 111 123.786 0.485 5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.503 1.715 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.904 1.342 7.306 1.00 0.00 H new ATOM 1825 N PRO A 112 123.199 1.830 7.850 1.00 0.00 N ATOM 1826 CA PRO A 112 123.239 0.379 8.116 1.00 0.00 C ATOM 1827 C PRO A 112 122.145 -0.351 7.327 1.00 0.00 C ATOM 1828 O PRO A 112 121.851 -1.503 7.581 1.00 0.00 O ATOM 1829 CB PRO A 112 122.970 0.288 9.621 1.00 0.00 C ATOM 1830 CG PRO A 112 122.236 1.593 10.014 1.00 0.00 C ATOM 1831 CD PRO A 112 122.535 2.619 8.905 1.00 0.00 C ATOM 0 HA PRO A 112 124.181 -0.082 7.820 1.00 0.00 H new ATOM 0 HB2 PRO A 112 122.361 -0.585 9.854 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.902 0.184 10.176 1.00 0.00 H new ATOM 0 HG2 PRO A 112 121.163 1.422 10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 112 122.583 1.956 10.981 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.621 3.086 8.537 1.00 0.00 H new ATOM 0 HD3 PRO A 112 123.179 3.421 9.267 1.00 0.00 H new ATOM 1839 N PHE A 113 121.536 0.305 6.376 1.00 0.00 N ATOM 1840 CA PHE A 113 120.464 -0.364 5.583 1.00 0.00 C ATOM 1841 C PHE A 113 121.096 -1.257 4.517 1.00 0.00 C ATOM 1842 O PHE A 113 121.720 -0.787 3.587 1.00 0.00 O ATOM 1843 CB PHE A 113 119.590 0.693 4.905 1.00 0.00 C ATOM 1844 CG PHE A 113 118.751 1.391 5.944 1.00 0.00 C ATOM 1845 CD1 PHE A 113 119.319 2.383 6.752 1.00 0.00 C ATOM 1846 CD2 PHE A 113 117.405 1.043 6.107 1.00 0.00 C ATOM 1847 CE1 PHE A 113 118.543 3.027 7.717 1.00 0.00 C ATOM 1848 CE2 PHE A 113 116.629 1.686 7.074 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.196 2.678 7.880 1.00 0.00 C ATOM 0 H PHE A 113 121.733 1.271 6.115 1.00 0.00 H new ATOM 0 HA PHE A 113 119.851 -0.970 6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.215 1.416 4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.949 0.226 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 113 120.358 2.650 6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 113 116.966 0.277 5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 113 118.981 3.794 8.338 1.00 0.00 H new ATOM 0 HE2 PHE A 113 115.591 1.417 7.199 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.596 3.175 8.628 1.00 0.00 H new ATOM 1859 N SER A 114 120.936 -2.544 4.645 1.00 0.00 N ATOM 1860 CA SER A 114 121.524 -3.470 3.638 1.00 0.00 C ATOM 1861 C SER A 114 120.529 -3.672 2.495 1.00 0.00 C ATOM 1862 O SER A 114 119.500 -3.029 2.434 1.00 0.00 O ATOM 1863 CB SER A 114 121.824 -4.815 4.299 1.00 0.00 C ATOM 1864 OG SER A 114 122.548 -4.594 5.501 1.00 0.00 O ATOM 0 H SER A 114 120.424 -2.995 5.403 1.00 0.00 H new ATOM 0 HA SER A 114 122.448 -3.046 3.245 1.00 0.00 H new ATOM 0 HB2 SER A 114 120.895 -5.344 4.512 1.00 0.00 H new ATOM 0 HB3 SER A 114 122.402 -5.445 3.623 1.00 0.00 H new ATOM 0 HG SER A 114 122.741 -5.454 5.929 1.00 0.00 H new ATOM 1870 N VAL A 115 120.829 -4.557 1.587 1.00 0.00 N ATOM 1871 CA VAL A 115 119.901 -4.797 0.448 1.00 0.00 C ATOM 1872 C VAL A 115 119.664 -6.301 0.292 1.00 0.00 C ATOM 1873 O VAL A 115 120.412 -7.112 0.802 1.00 0.00 O ATOM 1874 CB VAL A 115 120.525 -4.242 -0.834 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.563 -4.451 -2.004 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.798 -2.745 -0.660 1.00 0.00 C ATOM 0 H VAL A 115 121.677 -5.125 1.584 1.00 0.00 H new ATOM 0 HA VAL A 115 118.950 -4.299 0.638 1.00 0.00 H new ATOM 0 HB VAL A 115 121.461 -4.763 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.009 -4.055 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.367 -5.516 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.627 -3.931 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.243 -2.348 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 115 119.862 -2.226 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.484 -2.595 0.173 1.00 0.00 H new ATOM 1886 N ILE A 116 118.630 -6.681 -0.409 1.00 0.00 N ATOM 1887 CA ILE A 116 118.353 -8.134 -0.595 1.00 0.00 C ATOM 1888 C ILE A 116 118.231 -8.443 -2.087 1.00 0.00 C ATOM 1889 O ILE A 116 119.034 -9.160 -2.649 1.00 0.00 O ATOM 1890 CB ILE A 116 117.045 -8.503 0.105 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.124 -8.098 1.579 1.00 0.00 C ATOM 1892 CG2 ILE A 116 116.821 -10.013 0.000 1.00 0.00 C ATOM 1893 CD1 ILE A 116 115.872 -8.582 2.313 1.00 0.00 C ATOM 0 H ILE A 116 117.967 -6.050 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 116 119.171 -8.713 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 116 116.216 -7.979 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.015 -8.527 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.212 -7.015 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 116 115.889 -10.278 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 116 116.765 -10.300 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 116 117.649 -10.538 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 116 115.931 -8.292 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 116 114.988 -8.132 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.804 -9.667 2.239 1.00 0.00 H new ATOM 1905 N GLU A 117 117.230 -7.911 -2.733 1.00 0.00 N ATOM 1906 CA GLU A 117 117.060 -8.183 -4.188 1.00 0.00 C ATOM 1907 C GLU A 117 116.208 -7.082 -4.823 1.00 0.00 C ATOM 1908 O GLU A 117 115.220 -6.647 -4.264 1.00 0.00 O ATOM 1909 CB GLU A 117 116.368 -9.535 -4.376 1.00 0.00 C ATOM 1910 CG GLU A 117 116.898 -10.210 -5.641 1.00 0.00 C ATOM 1911 CD GLU A 117 116.174 -11.541 -5.853 1.00 0.00 C ATOM 1912 OE1 GLU A 117 115.320 -11.863 -5.043 1.00 0.00 O ATOM 1913 OE2 GLU A 117 116.486 -12.215 -6.820 1.00 0.00 O ATOM 0 H GLU A 117 116.525 -7.302 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 117 118.039 -8.203 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.548 -10.171 -3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.289 -9.396 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 117 116.746 -9.560 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.971 -10.378 -5.553 1.00 0.00 H new ATOM 1920 N GLU A 118 116.580 -6.630 -5.990 1.00 0.00 N ATOM 1921 CA GLU A 118 115.792 -5.560 -6.663 1.00 0.00 C ATOM 1922 C GLU A 118 115.527 -5.961 -8.116 1.00 0.00 C ATOM 1923 O GLU A 118 116.279 -6.708 -8.710 1.00 0.00 O ATOM 1924 CB GLU A 118 116.582 -4.250 -6.633 1.00 0.00 C ATOM 1925 CG GLU A 118 117.341 -4.143 -5.310 1.00 0.00 C ATOM 1926 CD GLU A 118 118.788 -4.594 -5.515 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.988 -5.758 -5.823 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.673 -3.769 -5.360 1.00 0.00 O ATOM 0 H GLU A 118 117.397 -6.957 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 118 114.843 -5.425 -6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 118 117.280 -4.215 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 118 115.906 -3.402 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 118 117.317 -3.116 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 118 116.860 -4.761 -4.551 1.00 0.00 H new ATOM 1935 N SER A 119 114.467 -5.468 -8.696 1.00 0.00 N ATOM 1936 CA SER A 119 114.158 -5.822 -10.110 1.00 0.00 C ATOM 1937 C SER A 119 115.148 -5.117 -11.040 1.00 0.00 C ATOM 1938 O SER A 119 115.192 -5.378 -12.226 1.00 0.00 O ATOM 1939 CB SER A 119 112.737 -5.374 -10.452 1.00 0.00 C ATOM 1940 OG SER A 119 112.729 -3.972 -10.687 1.00 0.00 O ATOM 0 H SER A 119 113.802 -4.835 -8.252 1.00 0.00 H new ATOM 0 HA SER A 119 114.240 -6.901 -10.238 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.379 -5.904 -11.335 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.059 -5.621 -9.635 1.00 0.00 H new ATOM 0 HG SER A 119 111.819 -3.683 -10.908 1.00 0.00 H new ATOM 1946 N LEU A 120 115.941 -4.225 -10.513 1.00 0.00 N ATOM 1947 CA LEU A 120 116.923 -3.505 -11.372 1.00 0.00 C ATOM 1948 C LEU A 120 118.345 -3.800 -10.883 1.00 0.00 C ATOM 1949 O LEU A 120 118.570 -3.962 -9.700 1.00 0.00 O ATOM 1950 CB LEU A 120 116.661 -2.000 -11.292 1.00 0.00 C ATOM 1951 CG LEU A 120 115.372 -1.665 -12.045 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.980 -0.213 -11.766 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.598 -1.852 -13.546 1.00 0.00 C ATOM 0 H LEU A 120 115.952 -3.964 -9.527 1.00 0.00 H new ATOM 0 HA LEU A 120 116.817 -3.840 -12.404 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.577 -1.690 -10.250 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.499 -1.451 -11.722 1.00 0.00 H new ATOM 0 HG LEU A 120 114.573 -2.327 -11.711 1.00 0.00 H new ATOM 0 HD11 LEU A 120 114.062 0.025 -12.303 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.821 -0.078 -10.696 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.778 0.450 -12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.681 -1.614 -14.085 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.397 -1.189 -13.879 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.878 -2.886 -13.746 1.00 0.00 H new ATOM 1965 N PRO A 121 119.264 -3.858 -11.813 1.00 0.00 N ATOM 1966 CA PRO A 121 120.683 -4.128 -11.515 1.00 0.00 C ATOM 1967 C PRO A 121 121.362 -2.862 -10.982 1.00 0.00 C ATOM 1968 O PRO A 121 122.182 -2.260 -11.646 1.00 0.00 O ATOM 1969 CB PRO A 121 121.264 -4.529 -12.873 1.00 0.00 C ATOM 1970 CG PRO A 121 120.324 -3.929 -13.946 1.00 0.00 C ATOM 1971 CD PRO A 121 118.977 -3.661 -13.250 1.00 0.00 C ATOM 0 HA PRO A 121 120.826 -4.895 -10.754 1.00 0.00 H new ATOM 0 HB2 PRO A 121 122.279 -4.148 -12.989 1.00 0.00 H new ATOM 0 HB3 PRO A 121 121.318 -5.614 -12.967 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.740 -3.008 -14.354 1.00 0.00 H new ATOM 0 HG3 PRO A 121 120.198 -4.619 -14.781 1.00 0.00 H new ATOM 0 HD2 PRO A 121 118.620 -2.651 -13.450 1.00 0.00 H new ATOM 0 HD3 PRO A 121 118.205 -4.347 -13.599 1.00 0.00 H new ATOM 1979 N GLY A 122 121.026 -2.456 -9.788 1.00 0.00 N ATOM 1980 CA GLY A 122 121.651 -1.230 -9.215 1.00 0.00 C ATOM 1981 C GLY A 122 120.570 -0.361 -8.569 1.00 0.00 C ATOM 1982 O GLY A 122 120.758 0.188 -7.500 1.00 0.00 O ATOM 0 H GLY A 122 120.346 -2.920 -9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.403 -1.504 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 122 122.163 -0.670 -9.998 1.00 0.00 H new ATOM 1986 N GLY A 123 119.439 -0.230 -9.207 1.00 0.00 N ATOM 1987 CA GLY A 123 118.347 0.603 -8.627 1.00 0.00 C ATOM 1988 C GLY A 123 117.800 1.547 -9.699 1.00 0.00 C ATOM 1989 O GLY A 123 117.766 1.220 -10.869 1.00 0.00 O ATOM 0 H GLY A 123 119.224 -0.664 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.549 -0.036 -8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.724 1.177 -7.780 1.00 0.00 H new ATOM 1993 N LEU A 124 117.370 2.717 -9.311 1.00 0.00 N ATOM 1994 CA LEU A 124 116.825 3.678 -10.312 1.00 0.00 C ATOM 1995 C LEU A 124 117.817 4.825 -10.514 1.00 0.00 C ATOM 1996 O LEU A 124 118.916 4.809 -9.996 1.00 0.00 O ATOM 1997 CB LEU A 124 115.494 4.245 -9.811 1.00 0.00 C ATOM 1998 CG LEU A 124 114.766 3.191 -8.976 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.933 3.513 -7.491 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.278 3.201 -9.333 1.00 0.00 C ATOM 0 H LEU A 124 117.372 3.048 -8.346 1.00 0.00 H new ATOM 0 HA LEU A 124 116.667 3.159 -11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.671 5.139 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.874 4.545 -10.656 1.00 0.00 H new ATOM 0 HG LEU A 124 115.186 2.207 -9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 124 114.414 2.762 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 124 115.993 3.511 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.511 4.496 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.756 2.450 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.860 4.185 -9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.156 2.974 -10.392 1.00 0.00 H new ATOM 2012 N LYS A 125 117.434 5.820 -11.265 1.00 0.00 N ATOM 2013 CA LYS A 125 118.346 6.972 -11.505 1.00 0.00 C ATOM 2014 C LYS A 125 117.650 7.972 -12.438 1.00 0.00 C ATOM 2015 O LYS A 125 116.494 8.296 -12.250 1.00 0.00 O ATOM 2016 CB LYS A 125 119.646 6.465 -12.141 1.00 0.00 C ATOM 2017 CG LYS A 125 120.787 7.441 -11.834 1.00 0.00 C ATOM 2018 CD LYS A 125 120.865 7.683 -10.326 1.00 0.00 C ATOM 2019 CE LYS A 125 120.297 9.067 -10.005 1.00 0.00 C ATOM 2020 NZ LYS A 125 121.262 9.816 -9.151 1.00 0.00 N ATOM 0 H LYS A 125 116.525 5.885 -11.724 1.00 0.00 H new ATOM 0 HA LYS A 125 118.585 7.467 -10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 125 119.888 5.475 -11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 125 119.520 6.366 -13.219 1.00 0.00 H new ATOM 0 HG2 LYS A 125 121.732 7.037 -12.197 1.00 0.00 H new ATOM 0 HG3 LYS A 125 120.622 8.384 -12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 125 120.304 6.915 -9.794 1.00 0.00 H new ATOM 0 HD3 LYS A 125 121.899 7.615 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 125 120.108 9.617 -10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 125 119.341 8.969 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 121.049 10.833 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 121.182 9.488 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 122.230 9.650 -9.493 1.00 0.00 H new ATOM 2034 N GLU A 126 118.329 8.467 -13.438 1.00 0.00 N ATOM 2035 CA GLU A 126 117.682 9.440 -14.361 1.00 0.00 C ATOM 2036 C GLU A 126 116.734 8.696 -15.304 1.00 0.00 C ATOM 2037 O GLU A 126 115.822 9.269 -15.865 1.00 0.00 O ATOM 2038 CB GLU A 126 118.755 10.158 -15.181 1.00 0.00 C ATOM 2039 CG GLU A 126 119.684 9.124 -15.821 1.00 0.00 C ATOM 2040 CD GLU A 126 120.020 9.554 -17.250 1.00 0.00 C ATOM 2041 OE1 GLU A 126 120.366 10.710 -17.434 1.00 0.00 O ATOM 2042 OE2 GLU A 126 119.926 8.721 -18.136 1.00 0.00 O ATOM 0 H GLU A 126 119.300 8.240 -13.654 1.00 0.00 H new ATOM 0 HA GLU A 126 117.119 10.171 -13.780 1.00 0.00 H new ATOM 0 HB2 GLU A 126 118.289 10.771 -15.953 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.327 10.831 -14.542 1.00 0.00 H new ATOM 0 HG2 GLU A 126 120.598 9.028 -15.235 1.00 0.00 H new ATOM 0 HG3 GLU A 126 119.206 8.145 -15.828 1.00 0.00 H new ATOM 2049 N HIS A 127 116.944 7.420 -15.482 1.00 0.00 N ATOM 2050 CA HIS A 127 116.055 6.639 -16.389 1.00 0.00 C ATOM 2051 C HIS A 127 114.880 6.074 -15.589 1.00 0.00 C ATOM 2052 O HIS A 127 114.345 5.030 -15.908 1.00 0.00 O ATOM 2053 CB HIS A 127 116.848 5.488 -17.013 1.00 0.00 C ATOM 2054 CG HIS A 127 117.178 4.475 -15.952 1.00 0.00 C ATOM 2055 ND1 HIS A 127 118.217 4.658 -15.053 1.00 0.00 N ATOM 2056 CD2 HIS A 127 116.616 3.262 -15.635 1.00 0.00 C ATOM 2057 CE1 HIS A 127 118.248 3.581 -14.246 1.00 0.00 C ATOM 2058 NE2 HIS A 127 117.294 2.700 -14.557 1.00 0.00 N ATOM 0 H HIS A 127 117.691 6.885 -15.039 1.00 0.00 H new ATOM 0 HA HIS A 127 115.678 7.290 -17.178 1.00 0.00 H new ATOM 0 HB2 HIS A 127 116.267 5.021 -17.809 1.00 0.00 H new ATOM 0 HB3 HIS A 127 117.764 5.867 -17.467 1.00 0.00 H new ATOM 0 HD2 HIS A 127 115.776 2.813 -16.145 1.00 0.00 H new ATOM 0 HE1 HIS A 127 118.959 3.446 -13.444 1.00 0.00 H new ATOM 0 HE2 HIS A 127 117.103 1.807 -14.102 1.00 0.00 H new ATOM 2066 N ASP A 128 114.474 6.753 -14.552 1.00 0.00 N ATOM 2067 CA ASP A 128 113.334 6.253 -13.733 1.00 0.00 C ATOM 2068 C ASP A 128 112.546 7.439 -13.177 1.00 0.00 C ATOM 2069 O ASP A 128 111.426 7.694 -13.570 1.00 0.00 O ATOM 2070 CB ASP A 128 113.869 5.408 -12.575 1.00 0.00 C ATOM 2071 CG ASP A 128 113.390 3.964 -12.732 1.00 0.00 C ATOM 2072 OD1 ASP A 128 113.905 3.281 -13.602 1.00 0.00 O ATOM 2073 OD2 ASP A 128 112.517 3.565 -11.978 1.00 0.00 O ATOM 0 H ASP A 128 114.882 7.633 -14.236 1.00 0.00 H new ATOM 0 HA ASP A 128 112.680 5.643 -14.356 1.00 0.00 H new ATOM 0 HB2 ASP A 128 114.958 5.441 -12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 128 113.524 5.815 -11.624 1.00 0.00 H new ATOM 2078 N PHE A 129 113.127 8.163 -12.264 1.00 0.00 N ATOM 2079 CA PHE A 129 112.417 9.335 -11.676 1.00 0.00 C ATOM 2080 C PHE A 129 112.518 10.525 -12.632 1.00 0.00 C ATOM 2081 O PHE A 129 112.557 10.365 -13.836 1.00 0.00 O ATOM 2082 CB PHE A 129 113.059 9.698 -10.335 1.00 0.00 C ATOM 2083 CG PHE A 129 113.166 8.462 -9.473 1.00 0.00 C ATOM 2084 CD1 PHE A 129 112.031 7.681 -9.223 1.00 0.00 C ATOM 2085 CD2 PHE A 129 114.401 8.095 -8.924 1.00 0.00 C ATOM 2086 CE1 PHE A 129 112.131 6.537 -8.426 1.00 0.00 C ATOM 2087 CE2 PHE A 129 114.500 6.952 -8.127 1.00 0.00 C ATOM 2088 CZ PHE A 129 113.365 6.172 -7.877 1.00 0.00 C ATOM 0 H PHE A 129 114.064 7.995 -11.898 1.00 0.00 H new ATOM 0 HA PHE A 129 111.368 9.085 -11.520 1.00 0.00 H new ATOM 0 HB2 PHE A 129 114.048 10.127 -10.498 1.00 0.00 H new ATOM 0 HB3 PHE A 129 112.462 10.457 -9.828 1.00 0.00 H new ATOM 0 HD1 PHE A 129 111.078 7.963 -9.646 1.00 0.00 H new ATOM 0 HD2 PHE A 129 115.277 8.696 -9.117 1.00 0.00 H new ATOM 0 HE1 PHE A 129 111.255 5.935 -8.234 1.00 0.00 H new ATOM 0 HE2 PHE A 129 115.453 6.670 -7.704 1.00 0.00 H new ATOM 0 HZ PHE A 129 113.442 5.289 -7.260 1.00 0.00 H new ATOM 2098 N ASN A 130 112.555 11.721 -12.108 1.00 0.00 N ATOM 2099 CA ASN A 130 112.649 12.919 -12.990 1.00 0.00 C ATOM 2100 C ASN A 130 113.297 14.074 -12.218 1.00 0.00 C ATOM 2101 O ASN A 130 112.638 14.745 -11.448 1.00 0.00 O ATOM 2102 CB ASN A 130 111.244 13.332 -13.435 1.00 0.00 C ATOM 2103 CG ASN A 130 110.277 13.197 -12.258 1.00 0.00 C ATOM 2104 OD1 ASN A 130 109.722 12.139 -12.031 1.00 0.00 O ATOM 2105 ND2 ASN A 130 110.048 14.229 -11.495 1.00 0.00 N ATOM 0 H ASN A 130 112.524 11.919 -11.108 1.00 0.00 H new ATOM 0 HA ASN A 130 113.255 12.681 -13.864 1.00 0.00 H new ATOM 0 HB2 ASN A 130 111.253 14.360 -13.796 1.00 0.00 H new ATOM 0 HB3 ASN A 130 110.915 12.706 -14.264 1.00 0.00 H new ATOM 0 HD21 ASN A 130 109.404 14.149 -10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 130 110.513 15.117 -11.685 1.00 0.00 H new ATOM 2112 N PRO A 131 114.571 14.275 -12.449 1.00 0.00 N ATOM 2113 CA PRO A 131 115.336 15.346 -11.788 1.00 0.00 C ATOM 2114 C PRO A 131 115.035 16.698 -12.442 1.00 0.00 C ATOM 2115 O PRO A 131 115.842 17.238 -13.172 1.00 0.00 O ATOM 2116 CB PRO A 131 116.795 14.940 -12.017 1.00 0.00 C ATOM 2117 CG PRO A 131 116.798 14.004 -13.249 1.00 0.00 C ATOM 2118 CD PRO A 131 115.366 13.455 -13.388 1.00 0.00 C ATOM 0 HA PRO A 131 115.092 15.459 -10.732 1.00 0.00 H new ATOM 0 HB2 PRO A 131 117.419 15.816 -12.193 1.00 0.00 H new ATOM 0 HB3 PRO A 131 117.199 14.432 -11.142 1.00 0.00 H new ATOM 0 HG2 PRO A 131 117.094 14.546 -14.147 1.00 0.00 H new ATOM 0 HG3 PRO A 131 117.513 13.192 -13.117 1.00 0.00 H new ATOM 0 HD2 PRO A 131 115.000 13.552 -14.410 1.00 0.00 H new ATOM 0 HD3 PRO A 131 115.318 12.397 -13.131 1.00 0.00 H new ATOM 2126 N GLU A 132 113.879 17.247 -12.185 1.00 0.00 N ATOM 2127 CA GLU A 132 113.527 18.561 -12.792 1.00 0.00 C ATOM 2128 C GLU A 132 112.308 19.144 -12.075 1.00 0.00 C ATOM 2129 O GLU A 132 111.325 19.504 -12.693 1.00 0.00 O ATOM 2130 CB GLU A 132 113.201 18.367 -14.274 1.00 0.00 C ATOM 2131 CG GLU A 132 112.076 17.340 -14.421 1.00 0.00 C ATOM 2132 CD GLU A 132 110.930 17.950 -15.231 1.00 0.00 C ATOM 2133 OE1 GLU A 132 110.865 19.166 -15.305 1.00 0.00 O ATOM 2134 OE2 GLU A 132 110.138 17.190 -15.763 1.00 0.00 O ATOM 0 H GLU A 132 113.164 16.842 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 132 114.370 19.245 -12.691 1.00 0.00 H new ATOM 0 HB2 GLU A 132 112.901 19.316 -14.718 1.00 0.00 H new ATOM 0 HB3 GLU A 132 114.088 18.030 -14.811 1.00 0.00 H new ATOM 0 HG2 GLU A 132 112.450 16.444 -14.917 1.00 0.00 H new ATOM 0 HG3 GLU A 132 111.718 17.034 -13.438 1.00 0.00 H new ATOM 2141 N SER A 133 112.361 19.239 -10.774 1.00 0.00 N ATOM 2142 CA SER A 133 111.203 19.798 -10.020 1.00 0.00 C ATOM 2143 C SER A 133 111.265 21.327 -10.048 1.00 0.00 C ATOM 2144 O SER A 133 112.185 21.911 -10.584 1.00 0.00 O ATOM 2145 CB SER A 133 111.256 19.311 -8.572 1.00 0.00 C ATOM 2146 OG SER A 133 110.096 19.761 -7.883 1.00 0.00 O ATOM 0 H SER A 133 113.155 18.954 -10.201 1.00 0.00 H new ATOM 0 HA SER A 133 110.273 19.465 -10.482 1.00 0.00 H new ATOM 0 HB2 SER A 133 111.311 18.223 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 133 112.154 19.688 -8.082 1.00 0.00 H new ATOM 0 HG SER A 133 110.126 19.449 -6.954 1.00 0.00 H new ATOM 2152 N SER A 134 110.291 21.980 -9.475 1.00 0.00 N ATOM 2153 CA SER A 134 110.294 23.470 -9.468 1.00 0.00 C ATOM 2154 C SER A 134 109.601 23.976 -8.201 1.00 0.00 C ATOM 2155 O SER A 134 110.216 24.744 -7.480 1.00 0.00 O ATOM 2156 CB SER A 134 109.546 23.986 -10.698 1.00 0.00 C ATOM 2157 OG SER A 134 110.353 24.943 -11.372 1.00 0.00 O ATOM 2158 OXT SER A 134 108.468 23.587 -7.974 1.00 0.00 O ATOM 0 H SER A 134 109.493 21.546 -9.011 1.00 0.00 H new ATOM 0 HA SER A 134 111.322 23.831 -9.489 1.00 0.00 H new ATOM 0 HB2 SER A 134 109.308 23.159 -11.367 1.00 0.00 H new ATOM 0 HB3 SER A 134 108.600 24.437 -10.400 1.00 0.00 H new ATOM 0 HG SER A 134 109.877 25.274 -12.162 1.00 0.00 H new TER 2164 SER A 134