USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 896 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 78 MET CE :methyl 171:sc= -1.16 (180deg=-1.27) USER MOD Set 1.2: A 93 TYR OH : rot 159:sc= 0.0247 USER MOD Set 2.1: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0747 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -0.0386 K(o=-0.039,f=-0.89) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.00094) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.41 K(o=-0.41,f=-11!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.3) USER MOD Single : A 33 MET CE :methyl 164:sc= -3.04! (180deg=-5.06!) USER MOD Single : A 34 THR OG1 : rot -68:sc= 0.937 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -86:sc= 1.08 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0709 USER MOD Single : A 48 ASN : amide:sc= -0.528 K(o=-0.53,f=-3.1!) USER MOD Single : A 49 THR OG1 : rot 72:sc= 1.12 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -55:sc= 0.41 USER MOD Single : A 60 ASN : amide:sc= -0.099 K(o=-0.099,f=-1.4!) USER MOD Single : A 62 ASN : amide:sc= -1.28 K(o=-1.3,f=-5.7!) USER MOD Single : A 64 GLN : amide:sc= -0.671 X(o=-0.67,f=-1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -16:sc= -0.414 USER MOD Single : A 73 ASN : amide:sc= -0.0842 K(o=-0.084,f=-0.92) USER MOD Single : A 74 ASN : amide:sc= -0.0141 K(o=-0.014,f=-0.88) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 77 MET CE :methyl 170:sc= 0 (180deg=-0.143) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.69) USER MOD Single : A 85 SER OG : rot -29:sc= 0.81 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD Single : A 103 TYR OH : rot -24:sc= -0.103 USER MOD Single : A 105 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00215) USER MOD Single : A 110 MET CE :methyl -160:sc= -0.702 (180deg=-1.81!) USER MOD Single : A 111 GLN : amide:sc= -0.0599 X(o=-0.06,f=-0.08) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 114 SER OG : rot 180:sc= 0.021 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.050 -20.522 -21.546 1.00 0.00 N ATOM 2 CA GLY A 1 18.096 -20.443 -20.543 1.00 0.00 C ATOM 3 C GLY A 1 18.532 -19.017 -20.271 1.00 0.00 C ATOM 4 O GLY A 1 17.723 -18.178 -19.876 1.00 0.00 O ATOM 0 H1 GLY A 1 16.787 -21.517 -21.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.218 -19.989 -21.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.395 -20.117 -22.440 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.741 -20.894 -19.616 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.956 -21.026 -20.873 1.00 0.00 H new ATOM 8 N SER A 2 19.815 -18.741 -20.481 1.00 0.00 N ATOM 9 CA SER A 2 20.359 -17.408 -20.251 1.00 0.00 C ATOM 10 C SER A 2 19.885 -16.435 -21.326 1.00 0.00 C ATOM 11 O SER A 2 19.141 -15.496 -21.044 1.00 0.00 O ATOM 12 CB SER A 2 21.888 -17.455 -20.227 1.00 0.00 C ATOM 13 OG SER A 2 22.429 -16.220 -19.791 1.00 0.00 O ATOM 0 H SER A 2 20.498 -19.424 -20.810 1.00 0.00 H new ATOM 0 HA SER A 2 19.999 -17.057 -19.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.220 -18.255 -19.565 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.264 -17.689 -21.223 1.00 0.00 H new ATOM 0 HG SER A 2 23.407 -16.276 -19.783 1.00 0.00 H new ATOM 19 N SER A 3 20.322 -16.667 -22.560 1.00 0.00 N ATOM 20 CA SER A 3 19.946 -15.810 -23.678 1.00 0.00 C ATOM 21 C SER A 3 18.728 -16.370 -24.406 1.00 0.00 C ATOM 22 O SER A 3 18.855 -17.018 -25.444 1.00 0.00 O ATOM 23 CB SER A 3 21.116 -15.666 -24.653 1.00 0.00 C ATOM 24 OG SER A 3 20.737 -14.922 -25.798 1.00 0.00 O ATOM 0 H SER A 3 20.937 -17.441 -22.811 1.00 0.00 H new ATOM 0 HA SER A 3 19.690 -14.828 -23.281 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.950 -15.172 -24.154 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.465 -16.653 -24.956 1.00 0.00 H new ATOM 0 HG SER A 3 21.502 -14.843 -26.405 1.00 0.00 H new ATOM 30 N GLY A 4 17.546 -16.114 -23.853 1.00 0.00 N ATOM 31 CA GLY A 4 16.321 -16.598 -24.462 1.00 0.00 C ATOM 32 C GLY A 4 15.371 -15.475 -24.826 1.00 0.00 C ATOM 33 O GLY A 4 15.659 -14.304 -24.578 1.00 0.00 O ATOM 0 H GLY A 4 17.415 -15.580 -22.994 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.565 -17.168 -25.358 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.823 -17.282 -23.775 1.00 0.00 H new ATOM 37 N SER A 5 14.235 -15.832 -25.416 1.00 0.00 N ATOM 38 CA SER A 5 13.240 -14.844 -25.820 1.00 0.00 C ATOM 39 C SER A 5 11.867 -15.195 -25.256 1.00 0.00 C ATOM 40 O SER A 5 11.200 -14.356 -24.651 1.00 0.00 O ATOM 41 CB SER A 5 13.170 -14.754 -27.346 1.00 0.00 C ATOM 42 OG SER A 5 12.851 -16.011 -27.917 1.00 0.00 O ATOM 0 H SER A 5 13.980 -16.797 -25.625 1.00 0.00 H new ATOM 0 HA SER A 5 13.541 -13.876 -25.420 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.420 -14.018 -27.636 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.126 -14.405 -27.737 1.00 0.00 H new ATOM 0 HG SER A 5 12.811 -15.926 -28.893 1.00 0.00 H new ATOM 48 N SER A 6 11.450 -16.440 -25.461 1.00 0.00 N ATOM 49 CA SER A 6 10.155 -16.902 -24.977 1.00 0.00 C ATOM 50 C SER A 6 9.889 -16.392 -23.563 1.00 0.00 C ATOM 51 O SER A 6 10.735 -16.514 -22.678 1.00 0.00 O ATOM 52 CB SER A 6 10.093 -18.431 -25.000 1.00 0.00 C ATOM 53 OG SER A 6 9.700 -18.906 -26.276 1.00 0.00 O ATOM 0 H SER A 6 11.991 -17.147 -25.959 1.00 0.00 H new ATOM 0 HA SER A 6 9.385 -16.504 -25.639 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.069 -18.842 -24.740 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.389 -18.781 -24.245 1.00 0.00 H new ATOM 0 HG SER A 6 9.670 -19.885 -26.265 1.00 0.00 H new ATOM 59 N GLY A 7 8.706 -15.820 -23.359 1.00 0.00 N ATOM 60 CA GLY A 7 8.349 -15.300 -22.052 1.00 0.00 C ATOM 61 C GLY A 7 7.130 -15.986 -21.469 1.00 0.00 C ATOM 62 O GLY A 7 6.260 -16.452 -22.205 1.00 0.00 O ATOM 0 H GLY A 7 7.989 -15.708 -24.075 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.192 -15.424 -21.372 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.157 -14.230 -22.130 1.00 0.00 H new ATOM 66 N ARG A 8 7.066 -16.048 -20.143 1.00 0.00 N ATOM 67 CA ARG A 8 5.945 -16.684 -19.461 1.00 0.00 C ATOM 68 C ARG A 8 4.820 -15.684 -19.214 1.00 0.00 C ATOM 69 O ARG A 8 5.027 -14.646 -18.586 1.00 0.00 O ATOM 70 CB ARG A 8 6.405 -17.289 -18.133 1.00 0.00 C ATOM 71 CG ARG A 8 7.031 -18.666 -18.276 1.00 0.00 C ATOM 72 CD ARG A 8 6.883 -19.480 -17.000 1.00 0.00 C ATOM 73 NE ARG A 8 7.977 -19.235 -16.064 1.00 0.00 N ATOM 74 CZ ARG A 8 9.182 -19.781 -16.182 1.00 0.00 C ATOM 75 NH1 ARG A 8 9.446 -20.600 -17.191 1.00 0.00 N ATOM 76 NH2 ARG A 8 10.126 -19.510 -15.290 1.00 0.00 N ATOM 0 H ARG A 8 7.777 -15.666 -19.520 1.00 0.00 H new ATOM 0 HA ARG A 8 5.566 -17.479 -20.103 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.127 -16.617 -17.668 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.551 -17.355 -17.459 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.561 -19.197 -19.104 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.088 -18.563 -18.523 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.935 -19.235 -16.522 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.849 -20.541 -17.249 1.00 0.00 H new ATOM 0 HE ARG A 8 7.806 -18.610 -15.276 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.723 -20.812 -17.879 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.372 -21.018 -17.280 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.927 -18.881 -14.512 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.051 -19.930 -15.382 1.00 0.00 H new ATOM 90 N GLU A 9 3.630 -16.003 -19.714 1.00 0.00 N ATOM 91 CA GLU A 9 2.474 -15.131 -19.549 1.00 0.00 C ATOM 92 C GLU A 9 2.463 -14.499 -18.160 1.00 0.00 C ATOM 93 O GLU A 9 2.811 -15.144 -17.171 1.00 0.00 O ATOM 94 CB GLU A 9 1.179 -15.915 -19.774 1.00 0.00 C ATOM 95 CG GLU A 9 0.969 -16.342 -21.217 1.00 0.00 C ATOM 96 CD GLU A 9 1.886 -17.476 -21.630 1.00 0.00 C ATOM 97 OE1 GLU A 9 1.927 -18.497 -20.911 1.00 0.00 O ATOM 98 OE2 GLU A 9 2.563 -17.344 -22.671 1.00 0.00 O ATOM 0 H GLU A 9 3.442 -16.859 -20.236 1.00 0.00 H new ATOM 0 HA GLU A 9 2.543 -14.336 -20.291 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.186 -16.801 -19.139 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.334 -15.303 -19.458 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.068 -16.650 -21.353 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.136 -15.487 -21.873 1.00 0.00 H new ATOM 105 N GLU A 10 2.062 -13.233 -18.095 1.00 0.00 N ATOM 106 CA GLU A 10 2.008 -12.513 -16.828 1.00 0.00 C ATOM 107 C GLU A 10 0.574 -12.120 -16.486 1.00 0.00 C ATOM 108 O GLU A 10 -0.306 -12.133 -17.347 1.00 0.00 O ATOM 109 CB GLU A 10 2.891 -11.264 -16.888 1.00 0.00 C ATOM 110 CG GLU A 10 2.516 -10.307 -18.006 1.00 0.00 C ATOM 111 CD GLU A 10 3.090 -8.919 -17.803 1.00 0.00 C ATOM 112 OE1 GLU A 10 4.301 -8.736 -18.048 1.00 0.00 O ATOM 113 OE2 GLU A 10 2.330 -8.015 -17.399 1.00 0.00 O ATOM 0 H GLU A 10 1.770 -12.685 -18.904 1.00 0.00 H new ATOM 0 HA GLU A 10 2.381 -13.175 -16.047 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.828 -10.739 -15.935 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.930 -11.569 -17.016 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.870 -10.707 -18.956 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.430 -10.241 -18.073 1.00 0.00 H new ATOM 120 N ASP A 11 0.347 -11.773 -15.225 1.00 0.00 N ATOM 121 CA ASP A 11 -0.980 -11.376 -14.768 1.00 0.00 C ATOM 122 C ASP A 11 -1.146 -9.860 -14.833 1.00 0.00 C ATOM 123 O ASP A 11 -0.220 -9.098 -14.556 1.00 0.00 O ATOM 124 CB ASP A 11 -1.219 -11.867 -13.339 1.00 0.00 C ATOM 125 CG ASP A 11 -1.826 -13.255 -13.299 1.00 0.00 C ATOM 126 OD1 ASP A 11 -1.139 -14.215 -13.708 1.00 0.00 O ATOM 127 OD2 ASP A 11 -2.988 -13.383 -12.859 1.00 0.00 O ATOM 0 H ASP A 11 1.064 -11.758 -14.500 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.717 -11.833 -15.429 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.274 -11.871 -12.796 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.879 -11.170 -12.824 1.00 0.00 H new ATOM 132 N PRO A 12 -2.353 -9.413 -15.207 1.00 0.00 N ATOM 133 CA PRO A 12 -2.669 -7.985 -15.318 1.00 0.00 C ATOM 134 C PRO A 12 -2.728 -7.298 -13.958 1.00 0.00 C ATOM 135 O PRO A 12 -2.175 -6.213 -13.775 1.00 0.00 O ATOM 136 CB PRO A 12 -4.048 -7.977 -15.981 1.00 0.00 C ATOM 137 CG PRO A 12 -4.649 -9.293 -15.622 1.00 0.00 C ATOM 138 CD PRO A 12 -3.504 -10.265 -15.552 1.00 0.00 C ATOM 0 HA PRO A 12 -1.909 -7.442 -15.879 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.658 -7.151 -15.616 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.967 -7.860 -17.062 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.172 -9.236 -14.667 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.380 -9.605 -16.368 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.675 -11.034 -14.798 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.354 -10.778 -16.502 1.00 0.00 H new ATOM 146 N HIS A 13 -3.400 -7.936 -13.006 1.00 0.00 N ATOM 147 CA HIS A 13 -3.530 -7.386 -11.661 1.00 0.00 C ATOM 148 C HIS A 13 -2.163 -7.239 -11.000 1.00 0.00 C ATOM 149 O HIS A 13 -2.005 -6.483 -10.042 1.00 0.00 O ATOM 150 CB HIS A 13 -4.430 -8.278 -10.806 1.00 0.00 C ATOM 151 CG HIS A 13 -4.893 -7.626 -9.540 1.00 0.00 C ATOM 152 ND1 HIS A 13 -5.231 -8.336 -8.408 1.00 0.00 N ATOM 153 CD2 HIS A 13 -5.070 -6.320 -9.231 1.00 0.00 C ATOM 154 CE1 HIS A 13 -5.599 -7.495 -7.457 1.00 0.00 C ATOM 155 NE2 HIS A 13 -5.510 -6.265 -7.931 1.00 0.00 N ATOM 0 H HIS A 13 -3.863 -8.835 -13.140 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.983 -6.398 -11.742 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.300 -8.571 -11.393 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.891 -9.192 -10.558 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -5.202 -9.352 -8.318 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.897 -5.478 -9.885 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.918 -7.767 -6.462 1.00 0.00 H new ATOM 163 N GLU A 14 -1.179 -7.968 -11.518 1.00 0.00 N ATOM 164 CA GLU A 14 0.174 -7.919 -10.976 1.00 0.00 C ATOM 165 C GLU A 14 1.043 -6.948 -11.770 1.00 0.00 C ATOM 166 O GLU A 14 2.267 -7.071 -11.794 1.00 0.00 O ATOM 167 CB GLU A 14 0.803 -9.313 -10.990 1.00 0.00 C ATOM 168 CG GLU A 14 0.065 -10.323 -10.128 1.00 0.00 C ATOM 169 CD GLU A 14 0.983 -11.388 -9.561 1.00 0.00 C ATOM 170 OE1 GLU A 14 2.195 -11.117 -9.428 1.00 0.00 O ATOM 171 OE2 GLU A 14 0.491 -12.493 -9.251 1.00 0.00 O ATOM 0 H GLU A 14 -1.293 -8.599 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 14 0.113 -7.566 -9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.834 -9.678 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.835 -9.240 -10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.431 -9.802 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.715 -10.800 -10.721 1.00 0.00 H new ATOM 178 N GLY A 15 0.400 -5.982 -12.419 1.00 0.00 N ATOM 179 CA GLY A 15 1.130 -5.005 -13.206 1.00 0.00 C ATOM 180 C GLY A 15 0.371 -3.701 -13.359 1.00 0.00 C ATOM 181 O GLY A 15 0.672 -2.899 -14.243 1.00 0.00 O ATOM 0 H GLY A 15 -0.612 -5.859 -12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.093 -4.809 -12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.337 -5.419 -14.193 1.00 0.00 H new ATOM 185 N LYS A 16 -0.617 -3.489 -12.497 1.00 0.00 N ATOM 186 CA LYS A 16 -1.422 -2.274 -12.539 1.00 0.00 C ATOM 187 C LYS A 16 -0.554 -1.038 -12.327 1.00 0.00 C ATOM 188 O LYS A 16 0.410 -1.069 -11.562 1.00 0.00 O ATOM 189 CB LYS A 16 -2.520 -2.328 -11.474 1.00 0.00 C ATOM 190 CG LYS A 16 -3.442 -3.527 -11.610 1.00 0.00 C ATOM 191 CD LYS A 16 -4.445 -3.334 -12.734 1.00 0.00 C ATOM 192 CE LYS A 16 -5.632 -4.274 -12.589 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.712 -3.959 -13.566 1.00 0.00 N ATOM 0 H LYS A 16 -0.880 -4.143 -11.760 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.883 -2.208 -13.525 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.057 -2.347 -10.488 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.114 -1.416 -11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.850 -4.423 -11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.972 -3.688 -10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.795 -2.302 -12.737 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.957 -3.508 -13.693 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.301 -5.302 -12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.028 -4.206 -11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.503 -4.622 -13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.046 -2.986 -13.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.342 -4.049 -14.534 1.00 0.00 H new ATOM 207 N ILE A 17 -0.902 0.048 -13.009 1.00 0.00 N ATOM 208 CA ILE A 17 -0.156 1.294 -12.893 1.00 0.00 C ATOM 209 C ILE A 17 -0.034 1.729 -11.436 1.00 0.00 C ATOM 210 O ILE A 17 1.034 2.150 -10.991 1.00 0.00 O ATOM 211 CB ILE A 17 -0.819 2.426 -13.700 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.097 3.650 -13.753 1.00 0.00 C ATOM 213 CG2 ILE A 17 -2.165 2.791 -13.092 1.00 0.00 C ATOM 214 CD1 ILE A 17 -0.411 4.746 -14.663 1.00 0.00 C ATOM 0 H ILE A 17 -1.696 0.090 -13.648 1.00 0.00 H new ATOM 0 HA ILE A 17 0.838 1.104 -13.298 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.985 2.076 -14.719 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.214 4.050 -12.746 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.086 3.339 -14.089 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.621 3.592 -13.673 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.818 1.918 -13.102 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.022 3.125 -12.064 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.288 5.582 -14.651 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.501 4.362 -15.679 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.387 5.085 -14.315 1.00 0.00 H new ATOM 226 N TRP A 18 -1.133 1.621 -10.699 1.00 0.00 N ATOM 227 CA TRP A 18 -1.149 2.001 -9.291 1.00 0.00 C ATOM 228 C TRP A 18 -0.479 0.935 -8.432 1.00 0.00 C ATOM 229 O TRP A 18 -0.147 1.177 -7.271 1.00 0.00 O ATOM 230 CB TRP A 18 -2.586 2.225 -8.818 1.00 0.00 C ATOM 231 CG TRP A 18 -3.534 1.155 -9.269 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.417 1.227 -10.308 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.693 -0.147 -8.695 1.00 0.00 C ATOM 234 NE1 TRP A 18 -5.116 0.049 -10.414 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.690 -0.811 -9.436 1.00 0.00 C ATOM 236 CE3 TRP A 18 -3.089 -0.817 -7.628 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -5.095 -2.110 -9.142 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.492 -2.107 -7.337 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.487 -2.742 -8.092 1.00 0.00 C ATOM 0 H TRP A 18 -2.025 1.274 -11.052 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.590 2.931 -9.185 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.599 2.276 -7.729 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.936 3.189 -9.186 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.547 2.084 -10.952 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.836 -0.153 -11.108 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.321 -0.336 -7.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.862 -2.601 -9.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.032 -2.634 -6.514 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.780 -3.751 -7.840 1.00 0.00 H new ATOM 250 N PHE A 19 -0.281 -0.246 -9.009 1.00 0.00 N ATOM 251 CA PHE A 19 0.350 -1.350 -8.294 1.00 0.00 C ATOM 252 C PHE A 19 1.871 -1.255 -8.381 1.00 0.00 C ATOM 253 O PHE A 19 2.420 -0.808 -9.388 1.00 0.00 O ATOM 254 CB PHE A 19 -0.121 -2.689 -8.864 1.00 0.00 C ATOM 255 CG PHE A 19 0.577 -3.875 -8.262 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.580 -4.071 -6.890 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.229 -4.794 -9.068 1.00 0.00 C ATOM 258 CE1 PHE A 19 1.223 -5.161 -6.334 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.872 -5.887 -8.518 1.00 0.00 C ATOM 260 CZ PHE A 19 1.868 -6.071 -7.149 1.00 0.00 C ATOM 0 H PHE A 19 -0.548 -0.463 -9.969 1.00 0.00 H new ATOM 0 HA PHE A 19 0.058 -1.286 -7.246 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.194 -2.787 -8.700 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.039 -2.692 -9.942 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.075 -3.364 -6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.235 -4.655 -10.139 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.221 -5.301 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.377 -6.596 -9.158 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.368 -6.925 -6.717 1.00 0.00 H new ATOM 270 N HIS A 20 2.546 -1.678 -7.316 1.00 0.00 N ATOM 271 CA HIS A 20 4.003 -1.641 -7.270 1.00 0.00 C ATOM 272 C HIS A 20 4.553 -2.844 -6.511 1.00 0.00 C ATOM 273 O HIS A 20 4.373 -2.962 -5.300 1.00 0.00 O ATOM 274 CB HIS A 20 4.481 -0.346 -6.613 1.00 0.00 C ATOM 275 CG HIS A 20 4.601 0.802 -7.568 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.716 1.016 -8.351 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.738 1.801 -7.864 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.533 2.097 -9.087 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.340 2.592 -8.811 1.00 0.00 N ATOM 0 H HIS A 20 2.107 -2.050 -6.474 1.00 0.00 H new ATOM 0 HA HIS A 20 4.375 -1.679 -8.294 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.787 -0.075 -5.817 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.450 -0.522 -6.145 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.758 1.949 -7.435 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.239 2.507 -9.794 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.932 3.426 -9.233 1.00 0.00 H new ATOM 287 N GLY A 21 5.225 -3.737 -7.232 1.00 0.00 N ATOM 288 CA GLY A 21 5.790 -4.920 -6.610 1.00 0.00 C ATOM 289 C GLY A 21 7.257 -5.105 -6.943 1.00 0.00 C ATOM 290 O GLY A 21 7.949 -5.906 -6.313 1.00 0.00 O ATOM 0 H GLY A 21 5.388 -3.662 -8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.672 -4.850 -5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.233 -5.799 -6.935 1.00 0.00 H new ATOM 294 N LYS A 22 7.735 -4.365 -7.938 1.00 0.00 N ATOM 295 CA LYS A 22 9.129 -4.451 -8.355 1.00 0.00 C ATOM 296 C LYS A 22 10.018 -3.589 -7.464 1.00 0.00 C ATOM 297 O LYS A 22 11.192 -3.897 -7.259 1.00 0.00 O ATOM 298 CB LYS A 22 9.274 -4.014 -9.814 1.00 0.00 C ATOM 299 CG LYS A 22 9.067 -5.141 -10.811 1.00 0.00 C ATOM 300 CD LYS A 22 7.609 -5.261 -11.222 1.00 0.00 C ATOM 301 CE LYS A 22 7.406 -6.376 -12.236 1.00 0.00 C ATOM 302 NZ LYS A 22 7.830 -5.967 -13.604 1.00 0.00 N ATOM 0 H LYS A 22 7.176 -3.698 -8.471 1.00 0.00 H new ATOM 0 HA LYS A 22 9.447 -5.489 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.555 -3.221 -10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.267 -3.589 -9.960 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.681 -4.964 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.401 -6.082 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.996 -5.453 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.270 -4.316 -11.646 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.973 -7.255 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.355 -6.664 -12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.676 -6.755 -14.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.272 -5.144 -13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.839 -5.716 -13.594 1.00 0.00 H new ATOM 316 N ILE A 23 9.450 -2.510 -6.937 1.00 0.00 N ATOM 317 CA ILE A 23 10.190 -1.605 -6.066 1.00 0.00 C ATOM 318 C ILE A 23 10.306 -2.173 -4.655 1.00 0.00 C ATOM 319 O ILE A 23 9.877 -3.295 -4.389 1.00 0.00 O ATOM 320 CB ILE A 23 9.524 -0.219 -5.997 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.162 -0.317 -5.306 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.375 0.368 -7.392 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.631 1.014 -4.823 1.00 0.00 C ATOM 0 H ILE A 23 8.479 -2.241 -7.098 1.00 0.00 H new ATOM 0 HA ILE A 23 11.186 -1.498 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 23 10.161 0.444 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.443 -0.756 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.243 -0.996 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.902 1.348 -7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.358 0.470 -7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.757 -0.292 -8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.663 0.867 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.329 1.446 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.518 1.690 -5.671 1.00 0.00 H new ATOM 335 N SER A 24 10.887 -1.388 -3.754 1.00 0.00 N ATOM 336 CA SER A 24 11.061 -1.812 -2.369 1.00 0.00 C ATOM 337 C SER A 24 10.294 -0.896 -1.420 1.00 0.00 C ATOM 338 O SER A 24 9.841 0.181 -1.807 1.00 0.00 O ATOM 339 CB SER A 24 12.545 -1.822 -1.999 1.00 0.00 C ATOM 340 OG SER A 24 13.325 -2.393 -3.035 1.00 0.00 O ATOM 0 H SER A 24 11.245 -0.455 -3.958 1.00 0.00 H new ATOM 0 HA SER A 24 10.663 -2.822 -2.271 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.882 -0.804 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.690 -2.386 -1.078 1.00 0.00 H new ATOM 0 HG SER A 24 14.270 -2.386 -2.775 1.00 0.00 H new ATOM 346 N LYS A 25 10.153 -1.333 -0.173 1.00 0.00 N ATOM 347 CA LYS A 25 9.443 -0.554 0.835 1.00 0.00 C ATOM 348 C LYS A 25 10.084 0.819 1.013 1.00 0.00 C ATOM 349 O LYS A 25 9.441 1.846 0.799 1.00 0.00 O ATOM 350 CB LYS A 25 9.431 -1.300 2.171 1.00 0.00 C ATOM 351 CG LYS A 25 8.903 -0.469 3.327 1.00 0.00 C ATOM 352 CD LYS A 25 9.436 -0.966 4.660 1.00 0.00 C ATOM 353 CE LYS A 25 10.784 -0.343 4.989 1.00 0.00 C ATOM 354 NZ LYS A 25 10.636 0.958 5.698 1.00 0.00 N ATOM 0 H LYS A 25 10.521 -2.223 0.164 1.00 0.00 H new ATOM 0 HA LYS A 25 8.417 -0.415 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.820 -2.197 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.444 -1.628 2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.187 0.574 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.814 -0.504 3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.722 -0.729 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.533 -2.051 4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.360 -1.030 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.349 -0.193 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.577 1.350 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.108 1.623 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.119 0.811 6.589 1.00 0.00 H new ATOM 368 N GLN A 26 11.354 0.827 1.405 1.00 0.00 N ATOM 369 CA GLN A 26 12.081 2.074 1.611 1.00 0.00 C ATOM 370 C GLN A 26 12.012 2.956 0.369 1.00 0.00 C ATOM 371 O GLN A 26 12.018 4.183 0.466 1.00 0.00 O ATOM 372 CB GLN A 26 13.541 1.785 1.965 1.00 0.00 C ATOM 373 CG GLN A 26 14.377 1.332 0.779 1.00 0.00 C ATOM 374 CD GLN A 26 14.367 -0.173 0.600 1.00 0.00 C ATOM 375 OE1 GLN A 26 13.325 -0.818 0.721 1.00 0.00 O ATOM 376 NE2 GLN A 26 15.532 -0.742 0.309 1.00 0.00 N ATOM 0 H GLN A 26 11.900 -0.015 1.586 1.00 0.00 H new ATOM 0 HA GLN A 26 11.612 2.606 2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.987 2.683 2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.574 1.016 2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.000 1.805 -0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.404 1.672 0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.371 -0.169 0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.587 -1.752 0.177 1.00 0.00 H new ATOM 385 N GLU A 27 11.947 2.322 -0.798 1.00 0.00 N ATOM 386 CA GLU A 27 11.878 3.051 -2.060 1.00 0.00 C ATOM 387 C GLU A 27 10.561 3.812 -2.177 1.00 0.00 C ATOM 388 O GLU A 27 10.549 5.022 -2.401 1.00 0.00 O ATOM 389 CB GLU A 27 12.030 2.088 -3.239 1.00 0.00 C ATOM 390 CG GLU A 27 13.472 1.873 -3.667 1.00 0.00 C ATOM 391 CD GLU A 27 14.426 1.805 -2.491 1.00 0.00 C ATOM 392 OE1 GLU A 27 14.805 2.876 -1.972 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.793 0.681 -2.088 1.00 0.00 O ATOM 0 H GLU A 27 11.941 1.307 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 27 12.696 3.771 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.592 1.126 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.462 2.472 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.543 0.949 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.775 2.684 -4.329 1.00 0.00 H new ATOM 400 N ALA A 28 9.453 3.094 -2.024 1.00 0.00 N ATOM 401 CA ALA A 28 8.131 3.701 -2.111 1.00 0.00 C ATOM 402 C ALA A 28 8.098 5.050 -1.401 1.00 0.00 C ATOM 403 O ALA A 28 7.460 5.994 -1.868 1.00 0.00 O ATOM 404 CB ALA A 28 7.082 2.768 -1.524 1.00 0.00 C ATOM 0 H ALA A 28 9.445 2.091 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 28 7.904 3.869 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.099 3.234 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.079 1.829 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.315 2.571 -0.477 1.00 0.00 H new ATOM 410 N TYR A 29 8.789 5.134 -0.269 1.00 0.00 N ATOM 411 CA TYR A 29 8.836 6.367 0.507 1.00 0.00 C ATOM 412 C TYR A 29 9.435 7.506 -0.313 1.00 0.00 C ATOM 413 O TYR A 29 8.952 8.636 -0.272 1.00 0.00 O ATOM 414 CB TYR A 29 9.654 6.160 1.784 1.00 0.00 C ATOM 415 CG TYR A 29 8.831 5.678 2.958 1.00 0.00 C ATOM 416 CD1 TYR A 29 7.836 6.476 3.508 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.050 4.426 3.517 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.082 6.041 4.580 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.301 3.981 4.589 1.00 0.00 C ATOM 420 CZ TYR A 29 7.318 4.792 5.117 1.00 0.00 C ATOM 421 OH TYR A 29 6.570 4.354 6.186 1.00 0.00 O ATOM 0 H TYR A 29 9.324 4.363 0.131 1.00 0.00 H new ATOM 0 HA TYR A 29 7.814 6.635 0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.446 5.438 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.138 7.099 2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.649 7.454 3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.819 3.789 3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.312 6.674 4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.484 3.004 5.011 1.00 0.00 H new ATOM 0 HH TYR A 29 6.861 3.454 6.442 1.00 0.00 H new ATOM 431 N ASN A 30 10.490 7.197 -1.060 1.00 0.00 N ATOM 432 CA ASN A 30 11.156 8.193 -1.892 1.00 0.00 C ATOM 433 C ASN A 30 10.366 8.449 -3.171 1.00 0.00 C ATOM 434 O ASN A 30 10.192 9.595 -3.588 1.00 0.00 O ATOM 435 CB ASN A 30 12.574 7.733 -2.238 1.00 0.00 C ATOM 436 CG ASN A 30 13.398 8.833 -2.878 1.00 0.00 C ATOM 437 OD1 ASN A 30 12.959 9.980 -2.969 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.599 8.488 -3.326 1.00 0.00 N ATOM 0 H ASN A 30 10.902 6.265 -1.106 1.00 0.00 H new ATOM 0 HA ASN A 30 11.211 9.124 -1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.073 7.389 -1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.522 6.881 -2.916 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.199 9.186 -3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.922 7.525 -3.229 1.00 0.00 H new ATOM 445 N LEU A 31 9.889 7.375 -3.790 1.00 0.00 N ATOM 446 CA LEU A 31 9.116 7.482 -5.023 1.00 0.00 C ATOM 447 C LEU A 31 7.986 8.496 -4.870 1.00 0.00 C ATOM 448 O LEU A 31 7.870 9.435 -5.658 1.00 0.00 O ATOM 449 CB LEU A 31 8.543 6.117 -5.410 1.00 0.00 C ATOM 450 CG LEU A 31 9.537 5.115 -5.997 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.963 3.707 -5.956 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.906 5.501 -7.422 1.00 0.00 C ATOM 0 H LEU A 31 10.024 6.420 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 31 9.784 7.825 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.089 5.672 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.744 6.273 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 31 10.443 5.134 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.685 3.007 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.751 3.431 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.042 3.673 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.614 4.776 -7.823 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.008 5.512 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.360 6.492 -7.425 1.00 0.00 H new ATOM 464 N LEU A 32 7.156 8.300 -3.851 1.00 0.00 N ATOM 465 CA LEU A 32 6.036 9.198 -3.593 1.00 0.00 C ATOM 466 C LEU A 32 6.524 10.626 -3.368 1.00 0.00 C ATOM 467 O LEU A 32 5.792 11.586 -3.604 1.00 0.00 O ATOM 468 CB LEU A 32 5.243 8.719 -2.376 1.00 0.00 C ATOM 469 CG LEU A 32 4.269 7.566 -2.621 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.905 6.888 -1.309 1.00 0.00 C ATOM 471 CD2 LEU A 32 3.019 8.065 -3.330 1.00 0.00 C ATOM 0 H LEU A 32 7.238 7.527 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 32 5.386 9.190 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.950 8.414 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.682 9.564 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 32 4.758 6.833 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.211 6.070 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.807 6.495 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.436 7.612 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.337 7.231 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.528 8.818 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.295 8.504 -4.289 1.00 0.00 H new ATOM 483 N MET A 33 7.765 10.756 -2.911 1.00 0.00 N ATOM 484 CA MET A 33 8.351 12.067 -2.656 1.00 0.00 C ATOM 485 C MET A 33 9.019 12.617 -3.913 1.00 0.00 C ATOM 486 O MET A 33 9.325 13.807 -3.996 1.00 0.00 O ATOM 487 CB MET A 33 9.370 11.982 -1.519 1.00 0.00 C ATOM 488 CG MET A 33 8.759 12.171 -0.140 1.00 0.00 C ATOM 489 SD MET A 33 8.741 13.897 0.381 1.00 0.00 S ATOM 490 CE MET A 33 7.690 14.619 -0.876 1.00 0.00 C ATOM 0 H MET A 33 8.384 9.971 -2.710 1.00 0.00 H new ATOM 0 HA MET A 33 7.549 12.745 -2.365 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.866 11.012 -1.558 1.00 0.00 H new ATOM 0 HB3 MET A 33 10.139 12.739 -1.674 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.739 11.786 -0.143 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.320 11.582 0.586 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.351 15.601 -0.546 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.251 14.722 -1.805 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.827 13.974 -1.043 1.00 0.00 H new ATOM 500 N THR A 34 9.243 11.743 -4.889 1.00 0.00 N ATOM 501 CA THR A 34 9.876 12.140 -6.140 1.00 0.00 C ATOM 502 C THR A 34 8.901 12.035 -7.307 1.00 0.00 C ATOM 503 O THR A 34 8.408 13.045 -7.811 1.00 0.00 O ATOM 504 CB THR A 34 11.115 11.277 -6.442 1.00 0.00 C ATOM 505 OG1 THR A 34 10.804 9.892 -6.258 1.00 0.00 O ATOM 506 CG2 THR A 34 12.278 11.665 -5.541 1.00 0.00 C ATOM 0 H THR A 34 8.995 10.755 -4.837 1.00 0.00 H new ATOM 0 HA THR A 34 10.186 13.178 -6.021 1.00 0.00 H new ATOM 0 HB THR A 34 11.406 11.449 -7.478 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.657 9.714 -5.306 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.142 11.042 -5.773 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.532 12.712 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.995 11.519 -4.499 1.00 0.00 H new ATOM 514 N VAL A 35 8.625 10.806 -7.733 1.00 0.00 N ATOM 515 CA VAL A 35 7.707 10.569 -8.841 1.00 0.00 C ATOM 516 C VAL A 35 6.271 10.892 -8.443 1.00 0.00 C ATOM 517 O VAL A 35 5.450 11.257 -9.283 1.00 0.00 O ATOM 518 CB VAL A 35 7.778 9.109 -9.326 1.00 0.00 C ATOM 519 CG1 VAL A 35 9.203 8.742 -9.709 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.245 8.167 -8.257 1.00 0.00 C ATOM 0 H VAL A 35 9.024 9.959 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 35 8.013 11.229 -9.653 1.00 0.00 H new ATOM 0 HB VAL A 35 7.152 9.008 -10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.233 7.707 -10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.545 9.397 -10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.854 8.858 -8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.302 7.139 -8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.843 8.269 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.207 8.417 -8.037 1.00 0.00 H new ATOM 530 N GLY A 36 5.975 10.755 -7.154 1.00 0.00 N ATOM 531 CA GLY A 36 4.638 11.037 -6.666 1.00 0.00 C ATOM 532 C GLY A 36 4.539 12.392 -5.994 1.00 0.00 C ATOM 533 O GLY A 36 5.547 13.072 -5.804 1.00 0.00 O ATOM 0 H GLY A 36 6.637 10.454 -6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.935 10.995 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.342 10.262 -5.959 1.00 0.00 H new ATOM 537 N GLN A 37 3.321 12.785 -5.634 1.00 0.00 N ATOM 538 CA GLN A 37 3.095 14.069 -4.981 1.00 0.00 C ATOM 539 C GLN A 37 1.814 14.041 -4.153 1.00 0.00 C ATOM 540 O GLN A 37 1.155 13.007 -4.045 1.00 0.00 O ATOM 541 CB GLN A 37 3.020 15.187 -6.021 1.00 0.00 C ATOM 542 CG GLN A 37 4.288 15.338 -6.846 1.00 0.00 C ATOM 543 CD GLN A 37 4.256 16.555 -7.749 1.00 0.00 C ATOM 544 OE1 GLN A 37 3.843 16.472 -8.906 1.00 0.00 O ATOM 545 NE2 GLN A 37 4.693 17.694 -7.224 1.00 0.00 N ATOM 0 H GLN A 37 2.476 12.233 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 37 3.934 14.261 -4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.182 14.993 -6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.812 16.129 -5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.146 15.409 -6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.431 14.444 -7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.026 17.717 -6.260 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.695 18.546 -7.784 1.00 0.00 H new ATOM 554 N VAL A 38 1.467 15.184 -3.570 1.00 0.00 N ATOM 555 CA VAL A 38 0.265 15.291 -2.752 1.00 0.00 C ATOM 556 C VAL A 38 -0.927 14.635 -3.440 1.00 0.00 C ATOM 557 O VAL A 38 -1.052 14.679 -4.664 1.00 0.00 O ATOM 558 CB VAL A 38 -0.077 16.761 -2.447 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.022 16.854 -1.259 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.191 17.562 -2.195 1.00 0.00 C ATOM 0 H VAL A 38 2.002 16.049 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 38 0.471 14.772 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.581 17.186 -3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.252 17.900 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.943 16.316 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.549 16.412 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.930 18.598 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.725 17.139 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.828 17.523 -3.079 1.00 0.00 H new ATOM 570 N CYS A 39 -1.800 14.027 -2.645 1.00 0.00 N ATOM 571 CA CYS A 39 -2.984 13.360 -3.177 1.00 0.00 C ATOM 572 C CYS A 39 -2.592 12.200 -4.086 1.00 0.00 C ATOM 573 O CYS A 39 -3.179 12.007 -5.151 1.00 0.00 O ATOM 574 CB CYS A 39 -3.852 14.356 -3.947 1.00 0.00 C ATOM 575 SG CYS A 39 -4.990 15.302 -2.907 1.00 0.00 S ATOM 0 H CYS A 39 -1.711 13.982 -1.630 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.556 12.963 -2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.203 15.050 -4.481 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.428 13.815 -4.698 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.679 16.118 -3.648 1.00 0.00 H new ATOM 581 N SER A 40 -1.596 11.431 -3.659 1.00 0.00 N ATOM 582 CA SER A 40 -1.121 10.293 -4.437 1.00 0.00 C ATOM 583 C SER A 40 -1.116 9.022 -3.592 1.00 0.00 C ATOM 584 O SER A 40 -0.829 9.060 -2.395 1.00 0.00 O ATOM 585 CB SER A 40 0.284 10.566 -4.976 1.00 0.00 C ATOM 586 OG SER A 40 1.241 10.561 -3.931 1.00 0.00 O ATOM 0 H SER A 40 -1.102 11.575 -2.778 1.00 0.00 H new ATOM 0 HA SER A 40 -1.802 10.149 -5.276 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.546 9.810 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.301 11.530 -5.484 1.00 0.00 H new ATOM 0 HG SER A 40 1.292 11.454 -3.530 1.00 0.00 H new ATOM 592 N PHE A 41 -1.434 7.897 -4.224 1.00 0.00 N ATOM 593 CA PHE A 41 -1.467 6.614 -3.532 1.00 0.00 C ATOM 594 C PHE A 41 -0.871 5.512 -4.402 1.00 0.00 C ATOM 595 O PHE A 41 -0.752 5.661 -5.619 1.00 0.00 O ATOM 596 CB PHE A 41 -2.904 6.255 -3.147 1.00 0.00 C ATOM 597 CG PHE A 41 -3.628 5.468 -4.202 1.00 0.00 C ATOM 598 CD1 PHE A 41 -4.318 6.113 -5.215 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.618 4.082 -4.179 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.986 5.390 -6.186 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.284 3.355 -5.148 1.00 0.00 C ATOM 602 CZ PHE A 41 -4.968 4.010 -6.153 1.00 0.00 C ATOM 0 H PHE A 41 -1.673 7.848 -5.214 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.867 6.702 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.891 5.680 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.458 7.172 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.334 7.192 -5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.084 3.565 -3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.522 5.905 -6.970 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.269 2.275 -5.119 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.488 3.444 -6.912 1.00 0.00 H new ATOM 612 N LEU A 42 -0.498 4.404 -3.770 1.00 0.00 N ATOM 613 CA LEU A 42 0.086 3.275 -4.485 1.00 0.00 C ATOM 614 C LEU A 42 -0.060 1.987 -3.681 1.00 0.00 C ATOM 615 O LEU A 42 -0.078 2.010 -2.450 1.00 0.00 O ATOM 616 CB LEU A 42 1.564 3.542 -4.779 1.00 0.00 C ATOM 617 CG LEU A 42 2.505 3.506 -3.574 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.998 2.089 -3.323 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.678 4.452 -3.785 1.00 0.00 C ATOM 0 H LEU A 42 -0.590 4.264 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.450 3.156 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.908 2.806 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.649 4.520 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 42 1.951 3.836 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.666 2.083 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.147 1.437 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.535 1.730 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.337 4.413 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.231 4.153 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.307 5.469 -3.914 1.00 0.00 H new ATOM 631 N VAL A 43 -0.162 0.864 -4.385 1.00 0.00 N ATOM 632 CA VAL A 43 -0.303 -0.434 -3.738 1.00 0.00 C ATOM 633 C VAL A 43 0.981 -1.249 -3.854 1.00 0.00 C ATOM 634 O VAL A 43 1.728 -1.115 -4.824 1.00 0.00 O ATOM 635 CB VAL A 43 -1.466 -1.241 -4.345 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.489 -2.653 -3.780 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.790 -0.536 -4.094 1.00 0.00 C ATOM 0 H VAL A 43 -0.150 0.828 -5.404 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.514 -0.241 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.315 -1.310 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.317 -3.208 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.550 -3.155 -4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.616 -2.610 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.601 -1.120 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.951 -0.435 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.768 0.453 -4.552 1.00 0.00 H new ATOM 647 N ARG A 44 1.231 -2.093 -2.859 1.00 0.00 N ATOM 648 CA ARG A 44 2.426 -2.930 -2.849 1.00 0.00 C ATOM 649 C ARG A 44 2.155 -4.255 -2.144 1.00 0.00 C ATOM 650 O ARG A 44 1.365 -4.336 -1.202 1.00 0.00 O ATOM 651 CB ARG A 44 3.580 -2.199 -2.160 1.00 0.00 C ATOM 652 CG ARG A 44 3.652 -0.719 -2.498 1.00 0.00 C ATOM 653 CD ARG A 44 4.908 -0.078 -1.929 1.00 0.00 C ATOM 654 NE ARG A 44 6.070 -0.956 -2.042 1.00 0.00 N ATOM 655 CZ ARG A 44 6.372 -1.894 -1.151 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.602 -2.075 -0.087 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.446 -2.653 -1.324 1.00 0.00 N ATOM 0 H ARG A 44 0.623 -2.216 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 44 2.703 -3.138 -3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.478 -2.312 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.520 -2.674 -2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.635 -0.591 -3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.772 -0.211 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.107 0.857 -2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.744 0.173 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 44 6.683 -0.843 -2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.775 -1.493 0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.836 -2.796 0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.041 -2.517 -2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.677 -3.373 -0.640 1.00 0.00 H new ATOM 671 N PRO A 45 2.825 -5.321 -2.608 1.00 0.00 N ATOM 672 CA PRO A 45 2.673 -6.662 -2.036 1.00 0.00 C ATOM 673 C PRO A 45 3.277 -6.768 -0.640 1.00 0.00 C ATOM 674 O PRO A 45 4.377 -6.276 -0.390 1.00 0.00 O ATOM 675 CB PRO A 45 3.437 -7.554 -3.018 1.00 0.00 C ATOM 676 CG PRO A 45 4.435 -6.650 -3.654 1.00 0.00 C ATOM 677 CD PRO A 45 3.782 -5.297 -3.727 1.00 0.00 C ATOM 0 HA PRO A 45 1.625 -6.937 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.924 -8.382 -2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.768 -7.989 -3.760 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.353 -6.609 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.707 -7.006 -4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.510 -4.493 -3.617 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.280 -5.144 -4.682 1.00 0.00 H new ATOM 685 N SER A 46 2.550 -7.415 0.266 1.00 0.00 N ATOM 686 CA SER A 46 3.013 -7.583 1.638 1.00 0.00 C ATOM 687 C SER A 46 4.418 -8.177 1.669 1.00 0.00 C ATOM 688 O SER A 46 4.856 -8.812 0.710 1.00 0.00 O ATOM 689 CB SER A 46 2.050 -8.481 2.417 1.00 0.00 C ATOM 690 OG SER A 46 2.486 -8.658 3.754 1.00 0.00 O ATOM 0 H SER A 46 1.639 -7.831 0.074 1.00 0.00 H new ATOM 0 HA SER A 46 3.043 -6.600 2.108 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.053 -8.041 2.412 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.973 -9.451 1.925 1.00 0.00 H new ATOM 0 HG SER A 46 1.853 -9.234 4.231 1.00 0.00 H new ATOM 696 N ASP A 47 5.118 -7.967 2.778 1.00 0.00 N ATOM 697 CA ASP A 47 6.473 -8.482 2.936 1.00 0.00 C ATOM 698 C ASP A 47 6.500 -9.999 2.775 1.00 0.00 C ATOM 699 O ASP A 47 6.115 -10.736 3.681 1.00 0.00 O ATOM 700 CB ASP A 47 7.033 -8.092 4.305 1.00 0.00 C ATOM 701 CG ASP A 47 8.096 -9.058 4.792 1.00 0.00 C ATOM 702 OD1 ASP A 47 9.088 -9.267 4.063 1.00 0.00 O ATOM 703 OD2 ASP A 47 7.935 -9.605 5.903 1.00 0.00 O ATOM 0 H ASP A 47 4.770 -7.444 3.581 1.00 0.00 H new ATOM 0 HA ASP A 47 7.096 -8.041 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.456 -7.089 4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.220 -8.055 5.030 1.00 0.00 H new ATOM 708 N ASN A 48 6.957 -10.457 1.614 1.00 0.00 N ATOM 709 CA ASN A 48 7.032 -11.886 1.333 1.00 0.00 C ATOM 710 C ASN A 48 5.787 -12.607 1.840 1.00 0.00 C ATOM 711 O ASN A 48 5.880 -13.587 2.579 1.00 0.00 O ATOM 712 CB ASN A 48 8.282 -12.489 1.978 1.00 0.00 C ATOM 713 CG ASN A 48 8.549 -13.906 1.509 1.00 0.00 C ATOM 714 OD1 ASN A 48 7.726 -14.509 0.820 1.00 0.00 O ATOM 715 ND2 ASN A 48 9.704 -14.444 1.882 1.00 0.00 N ATOM 0 H ASN A 48 7.281 -9.860 0.853 1.00 0.00 H new ATOM 0 HA ASN A 48 7.090 -12.015 0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.144 -11.864 1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.167 -12.484 3.062 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.939 -15.395 1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.356 -13.907 2.453 1.00 0.00 H new ATOM 722 N THR A 49 4.619 -12.115 1.437 1.00 0.00 N ATOM 723 CA THR A 49 3.355 -12.710 1.850 1.00 0.00 C ATOM 724 C THR A 49 2.293 -12.552 0.767 1.00 0.00 C ATOM 725 O THR A 49 1.740 -11.472 0.560 1.00 0.00 O ATOM 726 CB THR A 49 2.838 -12.080 3.157 1.00 0.00 C ATOM 727 OG1 THR A 49 3.815 -12.229 4.193 1.00 0.00 O ATOM 728 CG2 THR A 49 1.531 -12.727 3.589 1.00 0.00 C ATOM 0 H THR A 49 4.523 -11.305 0.824 1.00 0.00 H new ATOM 0 HA THR A 49 3.544 -13.770 2.017 1.00 0.00 H new ATOM 0 HB THR A 49 2.659 -11.020 2.977 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.572 -11.632 4.017 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.185 -12.266 4.514 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.781 -12.586 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.689 -13.793 3.752 1.00 0.00 H new ATOM 736 N PRO A 50 2.000 -13.653 0.060 1.00 0.00 N ATOM 737 CA PRO A 50 1.000 -13.662 -1.013 1.00 0.00 C ATOM 738 C PRO A 50 -0.421 -13.504 -0.482 1.00 0.00 C ATOM 739 O PRO A 50 -0.856 -14.257 0.388 1.00 0.00 O ATOM 740 CB PRO A 50 1.182 -15.039 -1.656 1.00 0.00 C ATOM 741 CG PRO A 50 1.760 -15.888 -0.576 1.00 0.00 C ATOM 742 CD PRO A 50 2.620 -14.974 0.253 1.00 0.00 C ATOM 0 HA PRO A 50 1.138 -12.832 -1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.232 -15.440 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.847 -14.989 -2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.973 -16.339 0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.348 -16.705 -0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.622 -15.267 1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.657 -14.984 -0.083 1.00 0.00 H new ATOM 750 N GLY A 51 -1.141 -12.521 -1.014 1.00 0.00 N ATOM 751 CA GLY A 51 -2.505 -12.284 -0.582 1.00 0.00 C ATOM 752 C GLY A 51 -2.665 -10.955 0.130 1.00 0.00 C ATOM 753 O GLY A 51 -3.659 -10.254 -0.066 1.00 0.00 O ATOM 0 H GLY A 51 -0.804 -11.885 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.167 -12.311 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.817 -13.089 0.083 1.00 0.00 H new ATOM 757 N ASP A 52 -1.687 -10.608 0.959 1.00 0.00 N ATOM 758 CA ASP A 52 -1.724 -9.354 1.703 1.00 0.00 C ATOM 759 C ASP A 52 -1.177 -8.206 0.860 1.00 0.00 C ATOM 760 O ASP A 52 -0.492 -8.427 -0.138 1.00 0.00 O ATOM 761 CB ASP A 52 -0.919 -9.481 2.997 1.00 0.00 C ATOM 762 CG ASP A 52 -1.659 -10.264 4.064 1.00 0.00 C ATOM 763 OD1 ASP A 52 -1.859 -11.482 3.873 1.00 0.00 O ATOM 764 OD2 ASP A 52 -2.038 -9.660 5.089 1.00 0.00 O ATOM 0 H ASP A 52 -0.859 -11.177 1.133 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.763 -9.137 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.031 -9.971 2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.686 -8.486 3.376 1.00 0.00 H new ATOM 769 N TYR A 53 -1.486 -6.980 1.268 1.00 0.00 N ATOM 770 CA TYR A 53 -1.029 -5.797 0.549 1.00 0.00 C ATOM 771 C TYR A 53 -0.951 -4.590 1.479 1.00 0.00 C ATOM 772 O TYR A 53 -1.584 -4.564 2.535 1.00 0.00 O ATOM 773 CB TYR A 53 -1.965 -5.493 -0.622 1.00 0.00 C ATOM 774 CG TYR A 53 -1.894 -6.513 -1.735 1.00 0.00 C ATOM 775 CD1 TYR A 53 -0.834 -6.517 -2.633 1.00 0.00 C ATOM 776 CD2 TYR A 53 -2.887 -7.473 -1.889 1.00 0.00 C ATOM 777 CE1 TYR A 53 -0.765 -7.448 -3.652 1.00 0.00 C ATOM 778 CE2 TYR A 53 -2.826 -8.407 -2.905 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.763 -8.391 -3.784 1.00 0.00 C ATOM 780 OH TYR A 53 -1.699 -9.319 -4.797 1.00 0.00 O ATOM 0 H TYR A 53 -2.051 -6.780 2.093 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.030 -6.001 0.164 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.989 -5.441 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.721 -4.510 -1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.051 -5.780 -2.533 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.721 -7.489 -1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.066 -7.437 -4.342 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.607 -9.146 -3.011 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.479 -9.911 -4.748 1.00 0.00 H new ATOM 790 N SER A 54 -0.170 -3.592 1.079 1.00 0.00 N ATOM 791 CA SER A 54 -0.005 -2.383 1.877 1.00 0.00 C ATOM 792 C SER A 54 -0.045 -1.140 0.993 1.00 0.00 C ATOM 793 O SER A 54 0.794 -0.965 0.108 1.00 0.00 O ATOM 794 CB SER A 54 1.315 -2.432 2.649 1.00 0.00 C ATOM 795 OG SER A 54 1.326 -3.506 3.572 1.00 0.00 O ATOM 0 H SER A 54 0.359 -3.597 0.207 1.00 0.00 H new ATOM 0 HA SER A 54 -0.830 -2.330 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.145 -2.540 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.465 -1.491 3.179 1.00 0.00 H new ATOM 0 HG SER A 54 2.181 -3.517 4.051 1.00 0.00 H new ATOM 801 N LEU A 55 -1.025 -0.278 1.240 1.00 0.00 N ATOM 802 CA LEU A 55 -1.176 0.951 0.468 1.00 0.00 C ATOM 803 C LEU A 55 -0.404 2.098 1.113 1.00 0.00 C ATOM 804 O LEU A 55 -0.202 2.118 2.327 1.00 0.00 O ATOM 805 CB LEU A 55 -2.655 1.322 0.347 1.00 0.00 C ATOM 806 CG LEU A 55 -3.015 2.287 -0.784 1.00 0.00 C ATOM 807 CD1 LEU A 55 -4.445 2.058 -1.246 1.00 0.00 C ATOM 808 CD2 LEU A 55 -2.820 3.728 -0.337 1.00 0.00 C ATOM 0 H LEU A 55 -1.727 -0.407 1.969 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.768 0.777 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.229 0.405 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.977 1.763 1.290 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.349 2.096 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.683 2.753 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.551 1.035 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.127 2.221 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.081 4.401 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.461 3.933 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.778 3.884 -0.057 1.00 0.00 H new ATOM 820 N TYR A 56 0.024 3.050 0.292 1.00 0.00 N ATOM 821 CA TYR A 56 0.775 4.201 0.782 1.00 0.00 C ATOM 822 C TYR A 56 0.233 5.497 0.188 1.00 0.00 C ATOM 823 O TYR A 56 0.226 5.681 -1.030 1.00 0.00 O ATOM 824 CB TYR A 56 2.258 4.051 0.441 1.00 0.00 C ATOM 825 CG TYR A 56 2.960 2.983 1.250 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.850 1.641 0.908 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.732 3.316 2.355 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.489 0.662 1.644 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.376 2.344 3.096 1.00 0.00 C ATOM 830 CZ TYR A 56 4.251 1.018 2.737 1.00 0.00 C ATOM 831 OH TYR A 56 4.890 0.047 3.473 1.00 0.00 O ATOM 0 H TYR A 56 -0.136 3.048 -0.715 1.00 0.00 H new ATOM 0 HA TYR A 56 0.661 4.244 1.865 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.357 3.816 -0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.758 5.006 0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.255 1.358 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.831 4.353 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.392 -0.377 1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.974 2.621 3.952 1.00 0.00 H new ATOM 0 HH TYR A 56 5.385 0.466 4.208 1.00 0.00 H new ATOM 841 N PHE A 57 -0.219 6.395 1.057 1.00 0.00 N ATOM 842 CA PHE A 57 -0.763 7.676 0.620 1.00 0.00 C ATOM 843 C PHE A 57 0.108 8.831 1.106 1.00 0.00 C ATOM 844 O PHE A 57 0.748 8.741 2.153 1.00 0.00 O ATOM 845 CB PHE A 57 -2.193 7.849 1.135 1.00 0.00 C ATOM 846 CG PHE A 57 -2.897 9.044 0.560 1.00 0.00 C ATOM 847 CD1 PHE A 57 -3.092 9.159 -0.807 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.363 10.054 1.386 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.740 10.258 -1.340 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.011 11.155 0.859 1.00 0.00 C ATOM 851 CZ PHE A 57 -4.199 11.258 -0.505 1.00 0.00 C ATOM 0 H PHE A 57 -0.219 6.260 2.068 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.773 7.685 -0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.766 6.952 0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.171 7.938 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.733 8.381 -1.464 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.218 9.980 2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.887 10.334 -2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.370 11.935 1.514 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.704 12.119 -0.918 1.00 0.00 H new ATOM 861 N ARG A 58 0.126 9.914 0.336 1.00 0.00 N ATOM 862 CA ARG A 58 0.919 11.087 0.686 1.00 0.00 C ATOM 863 C ARG A 58 0.022 12.296 0.932 1.00 0.00 C ATOM 864 O ARG A 58 -0.891 12.575 0.154 1.00 0.00 O ATOM 865 CB ARG A 58 1.923 11.400 -0.425 1.00 0.00 C ATOM 866 CG ARG A 58 2.531 12.789 -0.322 1.00 0.00 C ATOM 867 CD ARG A 58 3.532 13.043 -1.438 1.00 0.00 C ATOM 868 NE ARG A 58 3.674 14.467 -1.732 1.00 0.00 N ATOM 869 CZ ARG A 58 4.298 15.324 -0.931 1.00 0.00 C ATOM 870 NH1 ARG A 58 4.834 14.903 0.207 1.00 0.00 N ATOM 871 NH2 ARG A 58 4.386 16.604 -1.267 1.00 0.00 N ATOM 0 H ARG A 58 -0.399 10.004 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 58 1.462 10.867 1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.723 10.660 -0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.427 11.300 -1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.740 13.538 -0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.025 12.901 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.502 12.633 -1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.213 12.517 -2.338 1.00 0.00 H new ATOM 0 HE ARG A 58 3.272 14.823 -2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.768 13.919 0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.313 15.563 0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.974 16.931 -2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.865 17.261 -0.651 1.00 0.00 H new ATOM 885 N THR A 59 0.287 13.012 2.021 1.00 0.00 N ATOM 886 CA THR A 59 -0.496 14.190 2.371 1.00 0.00 C ATOM 887 C THR A 59 0.406 15.347 2.783 1.00 0.00 C ATOM 888 O THR A 59 1.575 15.149 3.110 1.00 0.00 O ATOM 889 CB THR A 59 -1.482 13.889 3.516 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.762 13.542 4.704 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.422 12.755 3.137 1.00 0.00 C ATOM 0 H THR A 59 1.039 12.796 2.676 1.00 0.00 H new ATOM 0 HA THR A 59 -1.059 14.471 1.481 1.00 0.00 H new ATOM 0 HB THR A 59 -2.075 14.785 3.700 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.151 12.800 4.511 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.109 12.561 3.961 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.990 13.034 2.250 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.842 11.856 2.928 1.00 0.00 H new ATOM 899 N ASN A 60 -0.146 16.557 2.766 1.00 0.00 N ATOM 900 CA ASN A 60 0.610 17.747 3.138 1.00 0.00 C ATOM 901 C ASN A 60 1.326 17.542 4.470 1.00 0.00 C ATOM 902 O ASN A 60 2.349 18.171 4.738 1.00 0.00 O ATOM 903 CB ASN A 60 -0.319 18.959 3.227 1.00 0.00 C ATOM 904 CG ASN A 60 -0.495 19.652 1.890 1.00 0.00 C ATOM 905 OD1 ASN A 60 0.413 19.662 1.059 1.00 0.00 O ATOM 906 ND2 ASN A 60 -1.669 20.236 1.676 1.00 0.00 N ATOM 0 H ASN A 60 -1.113 16.738 2.499 1.00 0.00 H new ATOM 0 HA ASN A 60 1.359 17.927 2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.293 18.640 3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.082 19.668 3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.846 20.717 0.794 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.393 20.203 2.393 1.00 0.00 H new ATOM 913 N GLU A 61 0.780 16.658 5.299 1.00 0.00 N ATOM 914 CA GLU A 61 1.367 16.371 6.603 1.00 0.00 C ATOM 915 C GLU A 61 2.507 15.364 6.476 1.00 0.00 C ATOM 916 O GLU A 61 3.674 15.706 6.662 1.00 0.00 O ATOM 917 CB GLU A 61 0.301 15.833 7.560 1.00 0.00 C ATOM 918 CG GLU A 61 0.769 15.741 9.002 1.00 0.00 C ATOM 919 CD GLU A 61 -0.194 14.965 9.880 1.00 0.00 C ATOM 920 OE1 GLU A 61 -0.381 13.756 9.630 1.00 0.00 O ATOM 921 OE2 GLU A 61 -0.762 15.567 10.815 1.00 0.00 O ATOM 0 H GLU A 61 -0.067 16.129 5.091 1.00 0.00 H new ATOM 0 HA GLU A 61 1.769 17.301 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.577 16.477 7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.011 14.844 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.748 15.263 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.892 16.746 9.405 1.00 0.00 H new ATOM 928 N ASN A 62 2.159 14.121 6.159 1.00 0.00 N ATOM 929 CA ASN A 62 3.152 13.064 6.009 1.00 0.00 C ATOM 930 C ASN A 62 2.548 11.844 5.321 1.00 0.00 C ATOM 931 O ASN A 62 1.332 11.649 5.335 1.00 0.00 O ATOM 932 CB ASN A 62 3.715 12.666 7.375 1.00 0.00 C ATOM 933 CG ASN A 62 2.639 12.171 8.322 1.00 0.00 C ATOM 934 OD1 ASN A 62 1.943 12.963 8.957 1.00 0.00 O ATOM 935 ND2 ASN A 62 2.499 10.854 8.421 1.00 0.00 N ATOM 0 H ASN A 62 1.197 13.821 6.001 1.00 0.00 H new ATOM 0 HA ASN A 62 3.962 13.446 5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.465 11.886 7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.221 13.523 7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.792 10.462 9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.098 10.235 7.875 1.00 0.00 H new ATOM 942 N ILE A 63 3.405 11.025 4.721 1.00 0.00 N ATOM 943 CA ILE A 63 2.955 9.823 4.029 1.00 0.00 C ATOM 944 C ILE A 63 2.442 8.780 5.016 1.00 0.00 C ATOM 945 O ILE A 63 3.132 8.424 5.971 1.00 0.00 O ATOM 946 CB ILE A 63 4.085 9.203 3.186 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.508 10.165 2.074 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.639 7.872 2.600 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.771 9.742 1.357 1.00 0.00 C ATOM 0 H ILE A 63 4.414 11.171 4.700 1.00 0.00 H new ATOM 0 HA ILE A 63 2.143 10.125 3.368 1.00 0.00 H new ATOM 0 HB ILE A 63 4.944 9.024 3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.698 10.248 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.657 11.157 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.448 7.446 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.382 7.187 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.767 8.028 1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.011 10.470 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.593 9.687 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.620 8.763 0.901 1.00 0.00 H new ATOM 961 N GLN A 64 1.229 8.294 4.777 1.00 0.00 N ATOM 962 CA GLN A 64 0.624 7.290 5.645 1.00 0.00 C ATOM 963 C GLN A 64 0.567 5.933 4.951 1.00 0.00 C ATOM 964 O GLN A 64 0.636 5.849 3.725 1.00 0.00 O ATOM 965 CB GLN A 64 -0.783 7.724 6.059 1.00 0.00 C ATOM 966 CG GLN A 64 -1.624 8.243 4.903 1.00 0.00 C ATOM 967 CD GLN A 64 -2.994 8.718 5.346 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.201 9.052 6.513 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.939 8.751 4.413 1.00 0.00 N ATOM 0 H GLN A 64 0.646 8.579 3.990 1.00 0.00 H new ATOM 0 HA GLN A 64 1.244 7.196 6.536 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.295 6.878 6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.706 8.501 6.819 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.098 9.065 4.416 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.740 7.454 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.723 8.465 3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.881 9.062 4.652 1.00 0.00 H new ATOM 978 N ARG A 65 0.441 4.874 5.744 1.00 0.00 N ATOM 979 CA ARG A 65 0.376 3.520 5.206 1.00 0.00 C ATOM 980 C ARG A 65 -0.807 2.757 5.794 1.00 0.00 C ATOM 981 O ARG A 65 -1.155 2.935 6.962 1.00 0.00 O ATOM 982 CB ARG A 65 1.677 2.770 5.497 1.00 0.00 C ATOM 983 CG ARG A 65 1.711 1.364 4.922 1.00 0.00 C ATOM 984 CD ARG A 65 2.589 0.442 5.754 1.00 0.00 C ATOM 985 NE ARG A 65 2.199 0.439 7.162 1.00 0.00 N ATOM 986 CZ ARG A 65 3.019 0.102 8.151 1.00 0.00 C ATOM 987 NH1 ARG A 65 4.268 -0.255 7.888 1.00 0.00 N ATOM 988 NH2 ARG A 65 2.590 0.124 9.406 1.00 0.00 N ATOM 0 H ARG A 65 0.382 4.927 6.761 1.00 0.00 H new ATOM 0 HA ARG A 65 0.239 3.591 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.513 3.340 5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.822 2.716 6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.698 0.963 4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.084 1.397 3.898 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.527 -0.572 5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.629 0.756 5.667 1.00 0.00 H new ATOM 0 HE ARG A 65 1.245 0.711 7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.602 -0.271 6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.896 -0.513 8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.630 0.400 9.612 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.220 -0.135 10.165 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.421 1.907 4.978 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.566 1.117 5.417 1.00 0.00 C ATOM 1004 C PHE A 66 -2.251 -0.375 5.360 1.00 0.00 C ATOM 1005 O PHE A 66 -1.124 -0.773 5.067 1.00 0.00 O ATOM 1006 CB PHE A 66 -3.788 1.426 4.550 1.00 0.00 C ATOM 1007 CG PHE A 66 -3.959 2.888 4.253 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.724 3.839 5.233 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -4.354 3.312 2.994 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -3.880 5.186 4.963 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -4.511 4.657 2.719 1.00 0.00 C ATOM 1012 CZ PHE A 66 -4.275 5.595 3.705 1.00 0.00 C ATOM 0 H PHE A 66 -1.145 1.747 4.009 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.786 1.384 6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.704 0.880 3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.682 1.059 5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.415 3.524 6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.541 2.583 2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.693 5.917 5.735 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.818 4.975 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.399 6.647 3.492 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.256 -1.196 5.644 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.090 -2.645 5.626 1.00 0.00 C ATOM 1024 C LYS A 67 -4.293 -3.322 4.978 1.00 0.00 C ATOM 1025 O LYS A 67 -5.439 -3.036 5.325 1.00 0.00 O ATOM 1026 CB LYS A 67 -2.897 -3.175 7.048 1.00 0.00 C ATOM 1027 CG LYS A 67 -1.500 -2.948 7.598 1.00 0.00 C ATOM 1028 CD LYS A 67 -1.277 -3.716 8.891 1.00 0.00 C ATOM 1029 CE LYS A 67 -2.108 -3.144 10.029 1.00 0.00 C ATOM 1030 NZ LYS A 67 -1.458 -1.956 10.648 1.00 0.00 N ATOM 0 H LYS A 67 -4.195 -0.883 5.890 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.203 -2.877 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.620 -2.694 7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.114 -4.243 7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.762 -3.258 6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.346 -1.884 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.535 -4.764 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.221 -3.683 9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.093 -2.865 9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.261 -3.911 10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.056 -1.596 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.529 -2.227 11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.335 -1.214 9.930 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.024 -4.221 4.037 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.085 -4.941 3.343 1.00 0.00 C ATOM 1046 C ILE A 68 -4.961 -6.445 3.559 1.00 0.00 C ATOM 1047 O ILE A 68 -4.081 -7.094 2.992 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.069 -4.648 1.831 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.168 -3.141 1.581 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.206 -5.382 1.137 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -4.987 -2.757 0.129 1.00 0.00 C ATOM 0 H ILE A 68 -3.081 -4.468 3.738 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.029 -4.593 3.762 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.126 -5.005 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.140 -2.787 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.414 -2.631 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.181 -5.165 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.094 -6.455 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.159 -5.053 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.069 -1.675 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.004 -3.080 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.757 -3.239 -0.473 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.849 -6.994 4.381 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.840 -8.424 4.671 1.00 0.00 C ATOM 1065 C CYS A 69 -6.786 -9.174 3.739 1.00 0.00 C ATOM 1066 O CYS A 69 -7.886 -8.714 3.429 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.237 -8.672 6.127 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.052 -8.031 7.334 1.00 0.00 S ATOM 0 H CYS A 69 -6.584 -6.471 4.858 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.828 -8.796 4.509 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.209 -8.215 6.310 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.354 -9.744 6.283 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.476 -8.287 8.536 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.350 -10.356 3.279 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.142 -11.194 2.374 1.00 0.00 C ATOM 1076 C PRO A 70 -8.360 -11.801 3.063 1.00 0.00 C ATOM 1077 O PRO A 70 -8.412 -11.891 4.290 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.161 -12.292 1.957 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.178 -12.366 3.075 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.050 -10.965 3.606 1.00 0.00 C ATOM 0 HA PRO A 70 -7.544 -10.623 1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.671 -13.245 1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.671 -12.048 1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.522 -13.048 3.852 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.216 -12.740 2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.862 -10.958 4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.226 -10.430 3.134 1.00 0.00 H new ATOM 1088 N THR A 71 -9.339 -12.218 2.266 1.00 0.00 N ATOM 1089 CA THR A 71 -10.556 -12.816 2.800 1.00 0.00 C ATOM 1090 C THR A 71 -10.962 -14.046 1.996 1.00 0.00 C ATOM 1091 O THR A 71 -10.709 -14.145 0.795 1.00 0.00 O ATOM 1092 CB THR A 71 -11.723 -11.810 2.800 1.00 0.00 C ATOM 1093 OG1 THR A 71 -11.886 -11.248 1.494 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.477 -10.698 3.809 1.00 0.00 C ATOM 0 H THR A 71 -9.313 -12.152 1.248 1.00 0.00 H new ATOM 0 HA THR A 71 -10.339 -13.111 3.827 1.00 0.00 H new ATOM 0 HB THR A 71 -12.632 -12.341 3.082 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.082 -11.421 0.961 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.314 -9.999 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.383 -11.126 4.807 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.558 -10.170 3.552 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.607 -15.009 2.672 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.063 -16.250 2.040 1.00 0.00 C ATOM 1104 C PRO A 72 -13.219 -16.018 1.073 1.00 0.00 C ATOM 1105 O PRO A 72 -13.498 -16.852 0.212 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.521 -17.104 3.225 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.879 -16.121 4.285 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.942 -14.959 4.105 1.00 0.00 C ATOM 0 HA PRO A 72 -11.280 -16.713 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.375 -17.726 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.729 -17.775 3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.917 -15.804 4.188 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.771 -16.560 5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.416 -14.015 4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.054 -15.059 4.729 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.888 -14.879 1.220 1.00 0.00 N ATOM 1117 CA ASN A 73 -15.015 -14.537 0.359 1.00 0.00 C ATOM 1118 C ASN A 73 -14.539 -13.817 -0.899 1.00 0.00 C ATOM 1119 O ASN A 73 -15.098 -12.793 -1.289 1.00 0.00 O ATOM 1120 CB ASN A 73 -16.014 -13.660 1.116 1.00 0.00 C ATOM 1121 CG ASN A 73 -17.420 -13.774 0.560 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -17.859 -14.856 0.168 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -18.135 -12.655 0.524 1.00 0.00 N ATOM 0 H ASN A 73 -13.669 -14.177 1.927 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.508 -15.463 0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -16.018 -13.944 2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.690 -12.620 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -19.088 -12.670 0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.731 -11.781 0.859 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.503 -14.361 -1.529 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.952 -13.771 -2.743 1.00 0.00 C ATOM 1132 C ASN A 74 -13.052 -12.249 -2.702 1.00 0.00 C ATOM 1133 O ASN A 74 -13.609 -11.630 -3.609 1.00 0.00 O ATOM 1134 CB ASN A 74 -13.684 -14.308 -3.975 1.00 0.00 C ATOM 1135 CG ASN A 74 -13.118 -15.632 -4.451 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -12.387 -16.305 -3.724 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -13.456 -16.013 -5.678 1.00 0.00 N ATOM 0 H ASN A 74 -13.028 -15.209 -1.219 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.899 -14.047 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.742 -14.431 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.618 -13.577 -4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.107 -16.895 -6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.065 -15.423 -6.246 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.509 -11.654 -1.646 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.537 -10.205 -1.487 1.00 0.00 C ATOM 1146 C GLN A 75 -11.328 -9.720 -0.695 1.00 0.00 C ATOM 1147 O GLN A 75 -10.438 -10.502 -0.359 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.827 -9.772 -0.787 1.00 0.00 C ATOM 1149 CG GLN A 75 -15.030 -9.708 -1.714 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.331 -9.485 -0.968 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.341 -9.336 0.255 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.438 -9.461 -1.701 1.00 0.00 N ATOM 0 H GLN A 75 -12.044 -12.153 -0.887 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.502 -9.756 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.041 -10.467 0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.674 -8.792 -0.335 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.886 -8.903 -2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.096 -10.636 -2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.383 -9.589 -2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.343 -9.315 -1.254 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.301 -8.424 -0.399 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.199 -7.835 0.353 1.00 0.00 C ATOM 1163 C PHE A 76 -10.723 -6.946 1.478 1.00 0.00 C ATOM 1164 O PHE A 76 -11.742 -6.273 1.328 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.297 -7.021 -0.577 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.375 -7.866 -1.408 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -7.308 -8.530 -0.824 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -8.574 -7.997 -2.773 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -6.457 -9.309 -1.586 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -7.727 -8.775 -3.539 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.667 -9.431 -2.945 1.00 0.00 C ATOM 0 H PHE A 76 -12.029 -7.762 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.618 -8.645 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.920 -6.419 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.703 -6.329 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.139 -8.438 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.400 -7.485 -3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.629 -9.821 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.894 -8.870 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.003 -10.038 -3.543 1.00 0.00 H new ATOM 1181 N MET A 77 -10.018 -6.950 2.604 1.00 0.00 N ATOM 1182 CA MET A 77 -10.410 -6.144 3.754 1.00 0.00 C ATOM 1183 C MET A 77 -9.480 -4.947 3.923 1.00 0.00 C ATOM 1184 O MET A 77 -8.275 -5.108 4.110 1.00 0.00 O ATOM 1185 CB MET A 77 -10.402 -6.994 5.026 1.00 0.00 C ATOM 1186 CG MET A 77 -11.711 -7.725 5.277 1.00 0.00 C ATOM 1187 SD MET A 77 -11.523 -9.118 6.406 1.00 0.00 S ATOM 1188 CE MET A 77 -10.872 -8.293 7.857 1.00 0.00 C ATOM 0 H MET A 77 -9.172 -7.502 2.745 1.00 0.00 H new ATOM 0 HA MET A 77 -11.420 -5.774 3.579 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.595 -7.724 4.961 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.184 -6.353 5.880 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.440 -7.026 5.687 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.111 -8.083 4.328 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.869 -8.985 8.699 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.854 -7.958 7.659 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.496 -7.432 8.097 1.00 0.00 H new ATOM 1198 N MET A 78 -10.048 -3.748 3.854 1.00 0.00 N ATOM 1199 CA MET A 78 -9.268 -2.524 4.000 1.00 0.00 C ATOM 1200 C MET A 78 -9.997 -1.518 4.885 1.00 0.00 C ATOM 1201 O MET A 78 -10.986 -0.914 4.471 1.00 0.00 O ATOM 1202 CB MET A 78 -8.988 -1.906 2.629 1.00 0.00 C ATOM 1203 CG MET A 78 -7.804 -0.953 2.622 1.00 0.00 C ATOM 1204 SD MET A 78 -8.160 0.602 3.462 1.00 0.00 S ATOM 1205 CE MET A 78 -7.458 1.779 2.308 1.00 0.00 C ATOM 0 H MET A 78 -11.045 -3.597 3.698 1.00 0.00 H new ATOM 0 HA MET A 78 -8.321 -2.780 4.475 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.805 -2.705 1.910 1.00 0.00 H new ATOM 0 HB3 MET A 78 -9.876 -1.371 2.292 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.952 -1.434 3.102 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.514 -0.747 1.592 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.737 2.790 2.605 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.372 1.687 2.310 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.837 1.577 1.306 1.00 0.00 H new ATOM 1215 N GLY A 79 -9.501 -1.342 6.106 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.118 -0.408 7.030 1.00 0.00 C ATOM 1217 C GLY A 79 -11.380 -0.964 7.660 1.00 0.00 C ATOM 1218 O GLY A 79 -12.381 -0.260 7.786 1.00 0.00 O ATOM 0 H GLY A 79 -8.683 -1.829 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.405 -0.154 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.355 0.516 6.503 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.333 -2.233 8.056 1.00 0.00 N ATOM 1223 CA GLY A 80 -12.488 -2.862 8.670 1.00 0.00 C ATOM 1224 C GLY A 80 -13.691 -2.889 7.748 1.00 0.00 C ATOM 1225 O GLY A 80 -14.825 -2.706 8.191 1.00 0.00 O ATOM 0 H GLY A 80 -10.516 -2.836 7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.232 -3.881 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.746 -2.327 9.584 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.444 -3.117 6.462 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.517 -3.165 5.476 1.00 0.00 C ATOM 1231 C ARG A 81 -14.270 -4.275 4.458 1.00 0.00 C ATOM 1232 O ARG A 81 -13.269 -4.988 4.532 1.00 0.00 O ATOM 1233 CB ARG A 81 -14.639 -1.820 4.758 1.00 0.00 C ATOM 1234 CG ARG A 81 -15.516 -0.817 5.490 1.00 0.00 C ATOM 1235 CD ARG A 81 -15.080 0.613 5.210 1.00 0.00 C ATOM 1236 NE ARG A 81 -16.057 1.587 5.691 1.00 0.00 N ATOM 1237 CZ ARG A 81 -15.823 2.893 5.753 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -14.652 3.379 5.366 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -16.762 3.716 6.202 1.00 0.00 N ATOM 0 H ARG A 81 -12.511 -3.271 6.079 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.449 -3.376 6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.644 -1.394 4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.046 -1.986 3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.554 -0.948 5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.473 -1.008 6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.118 0.799 5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.935 0.744 4.138 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.968 1.245 5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.928 2.750 5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.475 4.382 5.415 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.665 3.346 6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.581 4.719 6.249 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.190 -4.417 3.510 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.074 -5.442 2.480 1.00 0.00 C ATOM 1255 C TYR A 82 -15.230 -4.836 1.089 1.00 0.00 C ATOM 1256 O TYR A 82 -16.002 -3.897 0.890 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.126 -6.531 2.694 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.290 -6.939 4.141 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.259 -7.570 4.826 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.476 -6.693 4.823 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.404 -7.944 6.148 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.629 -7.063 6.145 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.591 -7.689 6.803 1.00 0.00 C ATOM 1264 OH TYR A 82 -16.740 -8.060 8.120 1.00 0.00 O ATOM 0 H TYR A 82 -16.024 -3.835 3.434 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.081 -5.885 2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.085 -6.178 2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.854 -7.408 2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.328 -7.772 4.316 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.292 -6.204 4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.592 -8.433 6.666 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.557 -6.863 6.661 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.634 -7.807 8.432 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.491 -5.379 0.128 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.544 -4.892 -1.245 1.00 0.00 C ATOM 1276 C TYR A 83 -14.438 -6.047 -2.237 1.00 0.00 C ATOM 1277 O TYR A 83 -13.756 -7.038 -1.983 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.420 -3.886 -1.496 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.587 -2.589 -0.736 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.479 -2.554 0.649 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -13.855 -1.400 -1.403 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.632 -1.372 1.347 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -14.009 -0.213 -0.713 1.00 0.00 C ATOM 1284 CZ TYR A 83 -13.896 -0.204 0.662 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.050 0.976 1.353 1.00 0.00 O ATOM 0 H TYR A 83 -13.848 -6.157 0.275 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.504 -4.397 -1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.469 -4.340 -1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.370 -3.668 -2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.272 -3.466 1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -13.944 -1.404 -2.479 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.545 -1.362 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -14.217 0.703 -1.247 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.230 1.704 0.722 1.00 0.00 H new ATOM 1295 N ASN A 84 -15.120 -5.909 -3.370 1.00 0.00 N ATOM 1296 CA ASN A 84 -15.104 -6.940 -4.402 1.00 0.00 C ATOM 1297 C ASN A 84 -13.675 -7.245 -4.843 1.00 0.00 C ATOM 1298 O ASN A 84 -13.306 -8.405 -5.028 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.938 -6.498 -5.606 1.00 0.00 C ATOM 1300 CG ASN A 84 -17.223 -5.805 -5.196 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -17.819 -6.134 -4.170 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -17.655 -4.839 -5.998 1.00 0.00 N ATOM 0 H ASN A 84 -15.690 -5.094 -3.597 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.538 -7.848 -3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.347 -5.824 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -16.177 -7.368 -6.218 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.514 -4.336 -5.774 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.128 -4.600 -6.838 1.00 0.00 H new ATOM 1309 N SER A 85 -12.876 -6.196 -5.010 1.00 0.00 N ATOM 1310 CA SER A 85 -11.490 -6.351 -5.433 1.00 0.00 C ATOM 1311 C SER A 85 -10.732 -5.033 -5.306 1.00 0.00 C ATOM 1312 O SER A 85 -11.323 -3.956 -5.382 1.00 0.00 O ATOM 1313 CB SER A 85 -11.427 -6.851 -6.878 1.00 0.00 C ATOM 1314 OG SER A 85 -12.059 -5.939 -7.760 1.00 0.00 O ATOM 0 H SER A 85 -13.165 -5.230 -4.859 1.00 0.00 H new ATOM 0 HA SER A 85 -11.018 -7.086 -4.781 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.387 -6.987 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.909 -7.826 -6.950 1.00 0.00 H new ATOM 0 HG SER A 85 -12.768 -5.460 -7.282 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.421 -5.128 -5.112 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.582 -3.944 -4.975 1.00 0.00 C ATOM 1322 C ILE A 86 -8.985 -2.866 -5.975 1.00 0.00 C ATOM 1323 O ILE A 86 -9.163 -1.704 -5.613 1.00 0.00 O ATOM 1324 CB ILE A 86 -7.093 -4.283 -5.176 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.625 -5.276 -4.109 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.251 -3.016 -5.133 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -5.127 -5.484 -4.093 1.00 0.00 C ATOM 0 H ILE A 86 -8.917 -6.012 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.728 -3.570 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.970 -4.745 -6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.945 -4.922 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.115 -6.235 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.201 -3.272 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.571 -2.339 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.377 -2.528 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.867 -6.199 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.803 -5.868 -5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.630 -4.534 -3.895 1.00 0.00 H new ATOM 1339 N GLY A 87 -9.130 -3.260 -7.237 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.513 -2.316 -8.270 1.00 0.00 C ATOM 1341 C GLY A 87 -10.733 -1.502 -7.887 1.00 0.00 C ATOM 1342 O GLY A 87 -10.784 -0.296 -8.132 1.00 0.00 O ATOM 0 H GLY A 87 -8.989 -4.217 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.679 -1.643 -8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.716 -2.856 -9.195 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.718 -2.161 -7.287 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.944 -1.490 -6.871 1.00 0.00 C ATOM 1348 C ASP A 88 -12.656 -0.452 -5.791 1.00 0.00 C ATOM 1349 O ASP A 88 -13.187 0.658 -5.826 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.959 -2.511 -6.356 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.543 -3.360 -7.468 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -13.814 -4.224 -8.001 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.728 -3.161 -7.807 1.00 0.00 O ATOM 0 H ASP A 88 -11.691 -3.159 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.362 -0.979 -7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.478 -3.159 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.765 -1.989 -5.840 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.813 -0.821 -4.832 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.454 0.078 -3.743 1.00 0.00 C ATOM 1360 C ILE A 89 -11.090 1.462 -4.269 1.00 0.00 C ATOM 1361 O ILE A 89 -11.431 2.478 -3.663 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.274 -0.474 -2.922 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.735 -1.640 -2.045 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.660 0.627 -2.070 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.606 -2.541 -1.596 1.00 0.00 C ATOM 0 H ILE A 89 -11.366 -1.737 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.329 0.156 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.512 -0.841 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.244 -1.244 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.465 -2.233 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.827 0.221 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.299 1.428 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.413 1.022 -1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.006 -3.345 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.110 -2.966 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.887 -1.962 -1.017 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.397 1.494 -5.403 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.989 2.753 -6.013 1.00 0.00 C ATOM 1379 C ILE A 90 -11.199 3.566 -6.458 1.00 0.00 C ATOM 1380 O ILE A 90 -11.453 4.655 -5.943 1.00 0.00 O ATOM 1381 CB ILE A 90 -9.067 2.519 -7.224 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.701 2.008 -6.762 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.914 3.801 -8.029 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -7.667 0.517 -6.511 1.00 0.00 C ATOM 0 H ILE A 90 -10.107 0.662 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.441 3.309 -5.252 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.519 1.762 -7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.955 2.258 -7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.418 2.529 -5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.260 3.619 -8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.892 4.126 -8.385 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.481 4.577 -7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.668 0.225 -6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.389 0.262 -5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.919 -0.012 -7.430 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.945 3.028 -7.418 1.00 0.00 N ATOM 1397 CA ASP A 91 -13.132 3.702 -7.932 1.00 0.00 C ATOM 1398 C ASP A 91 -14.023 4.180 -6.789 1.00 0.00 C ATOM 1399 O ASP A 91 -14.645 5.239 -6.875 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.918 2.766 -8.851 1.00 0.00 C ATOM 1401 CG ASP A 91 -15.357 3.207 -9.034 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -16.179 2.941 -8.132 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -15.660 3.820 -10.078 1.00 0.00 O ATOM 0 H ASP A 91 -11.749 2.128 -7.855 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.807 4.571 -8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.428 2.721 -9.824 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -13.900 1.757 -8.439 1.00 0.00 H new ATOM 1408 N HIS A 92 -14.081 3.391 -5.721 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.896 3.734 -4.561 1.00 0.00 C ATOM 1410 C HIS A 92 -14.330 4.954 -3.840 1.00 0.00 C ATOM 1411 O HIS A 92 -15.050 5.915 -3.567 1.00 0.00 O ATOM 1412 CB HIS A 92 -14.974 2.549 -3.598 1.00 0.00 C ATOM 1413 CG HIS A 92 -15.859 2.796 -2.415 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -17.233 2.694 -2.469 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -15.558 3.140 -1.141 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.739 2.966 -1.279 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -16.744 3.240 -0.455 1.00 0.00 N ATOM 0 H HIS A 92 -13.574 2.510 -5.635 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.900 3.975 -4.912 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.339 1.676 -4.138 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -13.970 2.310 -3.247 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -14.569 3.305 -0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -18.788 2.964 -1.024 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -16.840 3.486 0.530 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.038 4.908 -3.535 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.377 6.008 -2.844 1.00 0.00 C ATOM 1427 C TYR A 93 -12.400 7.277 -3.691 1.00 0.00 C ATOM 1428 O TYR A 93 -12.484 8.387 -3.165 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.933 5.632 -2.507 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.780 4.961 -1.161 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.381 5.491 -0.026 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.036 3.796 -1.025 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.243 4.881 1.206 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -9.894 3.178 0.203 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.499 3.725 1.315 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.361 3.114 2.541 1.00 0.00 O ATOM 0 H TYR A 93 -12.428 4.121 -3.755 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.921 6.201 -1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.550 4.967 -3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.318 6.532 -2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.966 6.395 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.560 3.366 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.715 5.307 2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.313 2.272 0.291 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.114 2.174 2.412 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.325 7.103 -5.006 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.336 8.233 -5.928 1.00 0.00 C ATOM 1448 C ARG A 94 -13.502 9.170 -5.625 1.00 0.00 C ATOM 1449 O ARG A 94 -13.442 10.366 -5.912 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.427 7.739 -7.373 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.087 7.325 -7.960 1.00 0.00 C ATOM 1452 CD ARG A 94 -11.233 6.847 -9.396 1.00 0.00 C ATOM 1453 NE ARG A 94 -11.425 7.956 -10.327 1.00 0.00 N ATOM 1454 CZ ARG A 94 -12.612 8.481 -10.610 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -13.707 7.999 -10.038 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -12.705 9.490 -11.467 1.00 0.00 N ATOM 0 H ARG A 94 -12.256 6.191 -5.457 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.405 8.785 -5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.111 6.891 -7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.857 8.527 -7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.397 8.168 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.652 6.531 -7.353 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.345 6.284 -9.682 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.080 6.164 -9.466 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.603 8.349 -10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.639 7.223 -9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.617 8.404 -10.257 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.865 9.863 -11.909 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.617 9.893 -11.684 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.562 8.618 -5.044 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.742 9.403 -4.702 1.00 0.00 C ATOM 1472 C LYS A 95 -15.883 9.542 -3.189 1.00 0.00 C ATOM 1473 O LYS A 95 -16.626 10.393 -2.702 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.999 8.753 -5.284 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.656 7.753 -4.348 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.821 7.045 -5.018 1.00 0.00 C ATOM 1477 CE LYS A 95 -20.084 7.893 -4.981 1.00 0.00 C ATOM 1478 NZ LYS A 95 -21.287 7.114 -5.383 1.00 0.00 N ATOM 0 H LYS A 95 -14.628 7.630 -4.800 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.623 10.398 -5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.719 9.533 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.740 8.250 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.919 7.018 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.007 8.267 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.564 6.818 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -19.005 6.093 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -20.227 8.288 -3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.967 8.749 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -22.126 7.727 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -21.162 6.758 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -21.414 6.312 -4.733 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.163 8.701 -2.453 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.208 8.732 -0.995 1.00 0.00 C ATOM 1494 C GLU A 96 -13.840 9.081 -0.416 1.00 0.00 C ATOM 1495 O GLU A 96 -12.860 8.371 -0.642 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.676 7.381 -0.449 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.165 7.136 -0.626 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.993 7.738 0.492 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.605 8.807 1.009 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -19.029 7.140 0.851 1.00 0.00 O ATOM 0 H GLU A 96 -14.542 7.991 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.918 9.503 -0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.123 6.585 -0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.430 7.322 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.488 7.556 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.350 6.063 -0.672 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.783 10.178 0.332 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.536 10.622 0.942 1.00 0.00 C ATOM 1509 C GLN A 97 -11.924 9.516 1.795 1.00 0.00 C ATOM 1510 O GLN A 97 -12.492 9.116 2.812 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.777 11.867 1.798 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.377 13.030 1.024 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.584 14.260 1.886 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -14.219 14.194 2.939 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.048 15.391 1.443 1.00 0.00 N ATOM 0 H GLN A 97 -14.586 10.775 0.530 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.838 10.869 0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.442 11.608 2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.832 12.184 2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.723 13.282 0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.333 12.724 0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.530 15.400 0.565 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.155 16.251 1.981 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.763 9.025 1.374 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.074 7.966 2.100 1.00 0.00 C ATOM 1526 C ILE A 98 -9.522 8.477 3.426 1.00 0.00 C ATOM 1527 O ILE A 98 -9.322 7.707 4.366 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.919 7.374 1.270 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.198 6.284 2.065 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -7.946 8.470 0.861 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.241 5.461 1.231 1.00 0.00 C ATOM 0 H ILE A 98 -10.280 9.344 0.534 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.810 7.185 2.293 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.332 6.925 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.648 6.747 2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.939 5.622 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.135 8.037 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.469 9.215 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.536 8.944 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.766 4.708 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.789 4.969 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.478 6.112 0.804 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.279 9.782 3.497 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.754 10.398 4.709 1.00 0.00 C ATOM 1545 C VAL A 99 -9.776 11.340 5.335 1.00 0.00 C ATOM 1546 O VAL A 99 -10.912 11.434 4.872 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.457 11.180 4.425 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.551 11.172 5.646 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.741 10.600 3.215 1.00 0.00 C ATOM 0 H VAL A 99 -9.438 10.433 2.728 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.536 9.589 5.406 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.717 12.215 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.640 11.729 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.068 11.637 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.295 10.144 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.827 11.164 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.491 9.556 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.391 10.663 2.342 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.363 12.036 6.389 1.00 0.00 N ATOM 1560 CA GLU A 100 -10.244 12.972 7.078 1.00 0.00 C ATOM 1561 C GLU A 100 -10.462 14.230 6.243 1.00 0.00 C ATOM 1562 O GLU A 100 -11.135 15.166 6.674 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.661 13.346 8.442 1.00 0.00 C ATOM 1564 CG GLU A 100 -8.236 13.870 8.372 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.840 14.651 9.610 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.496 14.014 10.627 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -7.873 15.898 9.561 1.00 0.00 O ATOM 0 H GLU A 100 -8.425 11.970 6.784 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.207 12.483 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.295 14.103 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.686 12.470 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.551 13.032 8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.130 14.509 7.495 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.886 14.245 5.045 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.028 15.393 4.168 1.00 0.00 C ATOM 1576 C GLY A 101 -9.071 15.346 2.993 1.00 0.00 C ATOM 1577 O GLY A 101 -8.375 16.322 2.711 1.00 0.00 O ATOM 0 H GLY A 101 -9.324 13.483 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.052 15.439 3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.854 16.306 4.738 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.035 14.210 2.306 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.154 14.038 1.158 1.00 0.00 C ATOM 1583 C TYR A 102 -8.701 12.980 0.205 1.00 0.00 C ATOM 1584 O TYR A 102 -9.064 11.880 0.622 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.749 13.647 1.620 1.00 0.00 C ATOM 1586 CG TYR A 102 -5.957 14.801 2.193 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.097 15.172 3.524 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.068 15.519 1.402 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.376 16.226 4.051 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.342 16.573 1.921 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.499 16.923 3.245 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.778 17.973 3.767 1.00 0.00 O ATOM 0 H TYR A 102 -9.606 13.394 2.525 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.103 14.988 0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.828 12.862 2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.202 13.225 0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.781 14.627 4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.943 15.248 0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.498 16.503 5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.655 17.120 1.293 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.615 17.816 4.720 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.756 13.320 -1.078 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.260 12.401 -2.092 1.00 0.00 C ATOM 1604 C TYR A 103 -8.112 11.766 -2.870 1.00 0.00 C ATOM 1605 O TYR A 103 -6.950 12.141 -2.703 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.199 13.133 -3.052 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.638 13.157 -2.591 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.379 11.985 -2.502 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.258 14.352 -2.244 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.695 12.002 -2.082 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.573 14.378 -1.822 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.287 13.201 -1.743 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.597 13.222 -1.323 1.00 0.00 O ATOM 0 H TYR A 103 -8.458 14.225 -1.441 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.813 11.610 -1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.850 14.158 -3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.148 12.656 -4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.918 11.045 -2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.702 15.276 -2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.257 11.082 -2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.039 15.315 -1.555 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.065 12.434 -1.671 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.445 10.803 -3.723 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.443 10.115 -4.529 1.00 0.00 C ATOM 1625 C LEU A 104 -7.353 10.726 -5.924 1.00 0.00 C ATOM 1626 O LEU A 104 -8.025 10.279 -6.854 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.779 8.626 -4.633 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.628 7.813 -3.347 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.980 6.354 -3.594 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.213 7.937 -2.801 1.00 0.00 C ATOM 0 H LEU A 104 -9.401 10.481 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.476 10.230 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.807 8.529 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.140 8.182 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.319 8.212 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.867 5.791 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.012 6.282 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.314 5.942 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.124 7.352 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.504 7.565 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.997 8.983 -2.585 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.517 11.749 -6.063 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.335 12.421 -7.345 1.00 0.00 C ATOM 1644 C LYS A 105 -5.859 11.439 -8.410 1.00 0.00 C ATOM 1645 O LYS A 105 -6.572 11.162 -9.374 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.330 13.566 -7.205 1.00 0.00 C ATOM 1647 CG LYS A 105 -5.889 14.782 -6.487 1.00 0.00 C ATOM 1648 CD LYS A 105 -6.717 15.650 -7.419 1.00 0.00 C ATOM 1649 CE LYS A 105 -6.979 17.022 -6.818 1.00 0.00 C ATOM 1650 NZ LYS A 105 -5.796 17.918 -6.946 1.00 0.00 N ATOM 0 H LYS A 105 -5.954 12.132 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.298 12.827 -7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.455 13.206 -6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.991 13.864 -8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.504 14.459 -5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.069 15.370 -6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.198 15.762 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.666 15.157 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.836 17.478 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.241 16.914 -5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.800 18.611 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.925 17.352 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.836 18.418 -7.857 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.650 10.915 -8.229 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.081 9.964 -9.175 1.00 0.00 C ATOM 1666 C GLU A 106 -2.959 9.157 -8.527 1.00 0.00 C ATOM 1667 O GLU A 106 -2.153 9.675 -7.754 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.549 10.695 -10.410 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.661 11.883 -10.079 1.00 0.00 C ATOM 1670 CD GLU A 106 -1.872 12.373 -11.277 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -2.492 12.643 -12.327 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -0.633 12.485 -11.165 1.00 0.00 O ATOM 0 H GLU A 106 -4.047 11.134 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.871 9.277 -9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.986 9.992 -11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.392 11.038 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.277 12.697 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.970 11.605 -9.283 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.906 7.855 -8.848 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.889 6.948 -8.309 1.00 0.00 C ATOM 1681 C PRO A 107 -0.498 7.242 -8.861 1.00 0.00 C ATOM 1682 O PRO A 107 -0.325 8.133 -9.692 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.366 5.568 -8.767 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.181 5.834 -9.985 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.834 7.170 -9.763 1.00 0.00 C ATOM 0 HA PRO A 107 -1.791 7.043 -7.228 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.524 4.912 -8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.958 5.077 -7.994 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.555 5.849 -10.877 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.928 5.054 -10.133 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.955 7.718 -10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.826 7.064 -9.324 1.00 0.00 H new ATOM 1693 N VAL A 108 0.491 6.486 -8.394 1.00 0.00 N ATOM 1694 CA VAL A 108 1.866 6.665 -8.843 1.00 0.00 C ATOM 1695 C VAL A 108 2.166 5.792 -10.057 1.00 0.00 C ATOM 1696 O VAL A 108 1.905 4.589 -10.068 1.00 0.00 O ATOM 1697 CB VAL A 108 2.870 6.330 -7.724 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.298 6.438 -8.237 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.655 7.242 -6.525 1.00 0.00 C ATOM 0 H VAL A 108 0.365 5.744 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 108 1.975 7.714 -9.117 1.00 0.00 H new ATOM 0 HB VAL A 108 2.701 5.302 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.993 6.198 -7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.442 5.740 -9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.484 7.454 -8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.373 6.991 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.795 8.280 -6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.643 7.109 -6.144 1.00 0.00 H new ATOM 1709 N PRO A 109 2.728 6.411 -11.106 1.00 0.00 N ATOM 1710 CA PRO A 109 3.077 5.710 -12.345 1.00 0.00 C ATOM 1711 C PRO A 109 4.248 4.751 -12.159 1.00 0.00 C ATOM 1712 O PRO A 109 4.839 4.681 -11.082 1.00 0.00 O ATOM 1713 CB PRO A 109 3.461 6.844 -13.299 1.00 0.00 C ATOM 1714 CG PRO A 109 3.902 7.954 -12.409 1.00 0.00 C ATOM 1715 CD PRO A 109 3.067 7.843 -11.163 1.00 0.00 C ATOM 0 HA PRO A 109 2.257 5.090 -12.707 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.259 6.539 -13.976 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.615 7.145 -13.918 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.963 7.869 -12.176 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.758 8.921 -12.891 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.620 8.161 -10.279 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.174 8.465 -11.221 1.00 0.00 H new ATOM 1723 N MET A 110 4.577 4.014 -13.214 1.00 0.00 N ATOM 1724 CA MET A 110 5.679 3.060 -13.166 1.00 0.00 C ATOM 1725 C MET A 110 6.982 3.712 -13.619 1.00 0.00 C ATOM 1726 O MET A 110 7.019 4.907 -13.911 1.00 0.00 O ATOM 1727 CB MET A 110 5.370 1.847 -14.045 1.00 0.00 C ATOM 1728 CG MET A 110 3.932 1.368 -13.936 1.00 0.00 C ATOM 1729 SD MET A 110 3.518 0.125 -15.175 1.00 0.00 S ATOM 1730 CE MET A 110 4.186 0.885 -16.653 1.00 0.00 C ATOM 0 H MET A 110 4.097 4.059 -14.113 1.00 0.00 H new ATOM 0 HA MET A 110 5.797 2.731 -12.134 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.583 2.098 -15.084 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.038 1.030 -13.771 1.00 0.00 H new ATOM 0 HG2 MET A 110 3.766 0.954 -12.942 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.260 2.220 -14.043 1.00 0.00 H new ATOM 0 HE1 MET A 110 3.719 0.442 -17.533 1.00 0.00 H new ATOM 0 HE2 MET A 110 3.984 1.956 -16.635 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.263 0.720 -16.692 1.00 0.00 H new ATOM 1740 N GLN A 111 8.047 2.919 -13.673 1.00 0.00 N ATOM 1741 CA GLN A 111 9.352 3.421 -14.089 1.00 0.00 C ATOM 1742 C GLN A 111 9.915 2.589 -15.237 1.00 0.00 C ATOM 1743 O GLN A 111 10.771 1.728 -15.031 1.00 0.00 O ATOM 1744 CB GLN A 111 10.326 3.409 -12.910 1.00 0.00 C ATOM 1745 CG GLN A 111 9.801 4.133 -11.680 1.00 0.00 C ATOM 1746 CD GLN A 111 9.929 5.640 -11.791 1.00 0.00 C ATOM 1747 OE1 GLN A 111 11.007 6.200 -11.590 1.00 0.00 O ATOM 1748 NE2 GLN A 111 8.826 6.306 -12.114 1.00 0.00 N ATOM 0 H GLN A 111 8.032 1.927 -13.434 1.00 0.00 H new ATOM 0 HA GLN A 111 9.225 4.446 -14.436 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.550 2.376 -12.645 1.00 0.00 H new ATOM 0 HB3 GLN A 111 11.264 3.869 -13.220 1.00 0.00 H new ATOM 0 HG2 GLN A 111 8.754 3.871 -11.528 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.346 3.790 -10.801 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.954 5.802 -12.272 1.00 0.00 H new ATOM 0 HE22 GLN A 111 8.852 7.322 -12.204 1.00 0.00 H new ATOM 1757 N ASP A 112 9.428 2.850 -16.445 1.00 0.00 N ATOM 1758 CA ASP A 112 9.882 2.125 -17.626 1.00 0.00 C ATOM 1759 C ASP A 112 11.375 1.824 -17.536 1.00 0.00 C ATOM 1760 O ASP A 112 12.207 2.725 -17.636 1.00 0.00 O ATOM 1761 CB ASP A 112 9.588 2.933 -18.891 1.00 0.00 C ATOM 1762 CG ASP A 112 10.184 2.301 -20.133 1.00 0.00 C ATOM 1763 OD1 ASP A 112 11.426 2.314 -20.268 1.00 0.00 O ATOM 1764 OD2 ASP A 112 9.409 1.793 -20.970 1.00 0.00 O ATOM 0 H ASP A 112 8.719 3.559 -16.632 1.00 0.00 H new ATOM 0 HA ASP A 112 9.340 1.180 -17.674 1.00 0.00 H new ATOM 0 HB2 ASP A 112 8.509 3.026 -19.016 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.984 3.942 -18.774 1.00 0.00 H new ATOM 1769 N GLN A 113 11.706 0.550 -17.347 1.00 0.00 N ATOM 1770 CA GLN A 113 13.098 0.130 -17.243 1.00 0.00 C ATOM 1771 C GLN A 113 13.893 0.571 -18.468 1.00 0.00 C ATOM 1772 O GLN A 113 13.392 0.534 -19.591 1.00 0.00 O ATOM 1773 CB GLN A 113 13.185 -1.388 -17.084 1.00 0.00 C ATOM 1774 CG GLN A 113 14.444 -1.855 -16.371 1.00 0.00 C ATOM 1775 CD GLN A 113 14.309 -1.815 -14.862 1.00 0.00 C ATOM 1776 OE1 GLN A 113 13.392 -2.409 -14.293 1.00 0.00 O ATOM 1777 NE2 GLN A 113 15.223 -1.112 -14.204 1.00 0.00 N ATOM 0 H GLN A 113 11.029 -0.208 -17.263 1.00 0.00 H new ATOM 0 HA GLN A 113 13.529 0.605 -16.362 1.00 0.00 H new ATOM 0 HB2 GLN A 113 12.313 -1.737 -16.530 1.00 0.00 H new ATOM 0 HB3 GLN A 113 13.143 -1.851 -18.070 1.00 0.00 H new ATOM 0 HG2 GLN A 113 14.678 -2.872 -16.684 1.00 0.00 H new ATOM 0 HG3 GLN A 113 15.282 -1.228 -16.674 1.00 0.00 H new ATOM 0 HE21 GLN A 113 15.966 -0.636 -14.716 1.00 0.00 H new ATOM 0 HE22 GLN A 113 15.183 -1.048 -13.187 1.00 0.00 H new ATOM 1786 N SER A 114 15.135 0.989 -18.242 1.00 0.00 N ATOM 1787 CA SER A 114 15.998 1.441 -19.327 1.00 0.00 C ATOM 1788 C SER A 114 17.080 0.408 -19.626 1.00 0.00 C ATOM 1789 O SER A 114 17.120 -0.660 -19.018 1.00 0.00 O ATOM 1790 CB SER A 114 16.641 2.782 -18.970 1.00 0.00 C ATOM 1791 OG SER A 114 17.292 3.350 -20.093 1.00 0.00 O ATOM 0 H SER A 114 15.565 1.024 -17.318 1.00 0.00 H new ATOM 0 HA SER A 114 15.384 1.567 -20.219 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.878 3.468 -18.602 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.359 2.641 -18.162 1.00 0.00 H new ATOM 0 HG SER A 114 17.693 4.207 -19.839 1.00 0.00 H new ATOM 1797 N GLY A 115 17.958 0.737 -20.570 1.00 0.00 N ATOM 1798 CA GLY A 115 19.030 -0.171 -20.934 1.00 0.00 C ATOM 1799 C GLY A 115 19.443 -0.027 -22.385 1.00 0.00 C ATOM 1800 O GLY A 115 18.757 0.604 -23.189 1.00 0.00 O ATOM 0 H GLY A 115 17.946 1.615 -21.088 1.00 0.00 H new ATOM 0 HA2 GLY A 115 19.892 0.015 -20.294 1.00 0.00 H new ATOM 0 HA3 GLY A 115 18.711 -1.197 -20.750 1.00 0.00 H new ATOM 1804 N PRO A 116 20.592 -0.622 -22.739 1.00 0.00 N ATOM 1805 CA PRO A 116 21.123 -0.570 -24.105 1.00 0.00 C ATOM 1806 C PRO A 116 20.285 -1.386 -25.084 1.00 0.00 C ATOM 1807 O PRO A 116 19.929 -0.907 -26.160 1.00 0.00 O ATOM 1808 CB PRO A 116 22.522 -1.175 -23.965 1.00 0.00 C ATOM 1809 CG PRO A 116 22.436 -2.056 -22.767 1.00 0.00 C ATOM 1810 CD PRO A 116 21.462 -1.391 -21.834 1.00 0.00 C ATOM 0 HA PRO A 116 21.120 0.444 -24.505 1.00 0.00 H new ATOM 0 HB2 PRO A 116 22.799 -1.742 -24.854 1.00 0.00 H new ATOM 0 HB3 PRO A 116 23.277 -0.400 -23.833 1.00 0.00 H new ATOM 0 HG2 PRO A 116 22.095 -3.055 -23.040 1.00 0.00 H new ATOM 0 HG3 PRO A 116 23.412 -2.170 -22.296 1.00 0.00 H new ATOM 0 HD2 PRO A 116 20.895 -2.122 -21.257 1.00 0.00 H new ATOM 0 HD3 PRO A 116 21.969 -0.744 -21.118 1.00 0.00 H new ATOM 1818 N SER A 117 19.973 -2.620 -24.702 1.00 0.00 N ATOM 1819 CA SER A 117 19.180 -3.504 -25.549 1.00 0.00 C ATOM 1820 C SER A 117 19.760 -3.572 -26.958 1.00 0.00 C ATOM 1821 O SER A 117 19.027 -3.528 -27.946 1.00 0.00 O ATOM 1822 CB SER A 117 17.728 -3.023 -25.605 1.00 0.00 C ATOM 1823 OG SER A 117 16.854 -4.081 -25.959 1.00 0.00 O ATOM 0 H SER A 117 20.257 -3.030 -23.812 1.00 0.00 H new ATOM 0 HA SER A 117 19.208 -4.504 -25.116 1.00 0.00 H new ATOM 0 HB2 SER A 117 17.438 -2.617 -24.636 1.00 0.00 H new ATOM 0 HB3 SER A 117 17.637 -2.214 -26.330 1.00 0.00 H new ATOM 0 HG SER A 117 15.932 -3.749 -25.987 1.00 0.00 H new ATOM 1829 N SER A 118 21.082 -3.679 -27.042 1.00 0.00 N ATOM 1830 CA SER A 118 21.763 -3.750 -28.330 1.00 0.00 C ATOM 1831 C SER A 118 23.037 -4.582 -28.226 1.00 0.00 C ATOM 1832 O SER A 118 23.823 -4.421 -27.293 1.00 0.00 O ATOM 1833 CB SER A 118 22.098 -2.344 -28.831 1.00 0.00 C ATOM 1834 OG SER A 118 22.999 -2.393 -29.924 1.00 0.00 O ATOM 0 H SER A 118 21.703 -3.718 -26.234 1.00 0.00 H new ATOM 0 HA SER A 118 21.093 -4.232 -29.042 1.00 0.00 H new ATOM 0 HB2 SER A 118 21.183 -1.834 -29.133 1.00 0.00 H new ATOM 0 HB3 SER A 118 22.536 -1.761 -28.021 1.00 0.00 H new ATOM 0 HG SER A 118 23.196 -1.482 -30.227 1.00 0.00 H new ATOM 1840 N GLY A 119 23.235 -5.473 -29.192 1.00 0.00 N ATOM 1841 CA GLY A 119 24.415 -6.318 -29.192 1.00 0.00 C ATOM 1842 C GLY A 119 25.314 -6.061 -30.385 1.00 0.00 C ATOM 1843 O GLY A 119 25.491 -6.932 -31.236 1.00 0.00 O ATOM 0 H GLY A 119 22.599 -5.625 -29.975 1.00 0.00 H new ATOM 0 HA2 GLY A 119 24.978 -6.150 -28.274 1.00 0.00 H new ATOM 0 HA3 GLY A 119 24.109 -7.364 -29.191 1.00 0.00 H new TER 1847 GLY A 119