USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1200 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 19 TYR OH : rot -82:sc= 1.05 USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= 0.906 F(o=0.92,f=2) USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.121 X(o=0.026,f=0.022) USER MOD Set 2.2: A 100 SER OG : rot -14:sc= 0.148 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0237 (180deg=-0.112) USER MOD Single : A 3 HIS : no HD1:sc= -0.0544 X(o=-0.054,f=-0.4) USER MOD Single : A 4 HIS : no HD1:sc= -0.257 K(o=-0.26,f=-0.81) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.934 K(o=-0.93,f=-2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.102 K(o=-0.1,f=-0.62) USER MOD Single : A 11 MET CE :methyl 161:sc= -0.142 (180deg=-0.586) USER MOD Single : A 14 HIS : no HE2:sc= -0.601 K(o=-0.6,f=-3.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.628 F(o=-2!,f=-0.63) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc=-0.00972 (180deg=-0.111) USER MOD Single : A 25 GLN : amide:sc= 0.727 K(o=0.73,f=-0.016) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0145 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= -0.0138 (180deg=-0.104) USER MOD Single : A 36 LYS NZ :NH3+ -136:sc= -0.199 (180deg=-0.705) USER MOD Single : A 44 SER OG : rot 82:sc= 0.962 USER MOD Single : A 46 MET CE :methyl -172:sc= -5.53! (180deg=-5.64!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 166:sc= -0.0333 (180deg=-0.303) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.01) USER MOD Single : A 62 GLN : amide:sc= -0.118 K(o=-0.12,f=-4.9!) USER MOD Single : A 68 MET CE :methyl -169:sc= -0.022 (180deg=-0.212) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -77:sc= 0.928 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= -0.666! (180deg=-0.82!) USER MOD Single : A 92 THR OG1 : rot 74:sc= 0.846 USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= -0.0691 (180deg=-0.35) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.0785 F(o=-0.9,f=-0.079) USER MOD Single : A 99 THR OG1 : rot -31:sc= 0.626 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 75:sc= 0.744 USER MOD Single : A 110 THR OG1 : rot 69:sc= 1.62 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.0624 F(o=-1.2,f=-0.062) USER MOD Single : A 112 TYR OH : rot -13:sc= 0.729 USER MOD Single : A 113 MET CE :methyl -171:sc= -5.28! (180deg=-5.84!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -121:sc= 0.622 USER MOD Single : A 117 TYR OH : rot -130:sc= -2.03! USER MOD Single : A 119 TYR OH : rot 135:sc= 0.0758 USER MOD Single : A 121 CYS SG : rot -21:sc= 0.0873 USER MOD Single : A 123 LYS NZ :NH3+ 172:sc= -3.26! (180deg=-3.27!) USER MOD Single : A 127 SER OG : rot -77:sc= 0.472 USER MOD Single : A 128 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 133 GLN : amide:sc= 0.7 K(o=0.7,f=-0.028) USER MOD Single : A 138 SER OG : rot 75:sc= 0.0374 USER MOD Single : A 139 ASN :FLIP amide:sc= -1.51 F(o=-3!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.241 -9.153 -7.670 1.00 72.50 N ATOM 2 CA MET A 1 32.803 -10.441 -8.266 1.00 73.22 C ATOM 3 C MET A 1 32.307 -11.413 -7.186 1.00 3.24 C ATOM 4 O MET A 1 32.658 -11.281 -6.012 1.00 32.52 O ATOM 5 CB MET A 1 33.958 -11.080 -9.053 1.00 54.43 C ATOM 6 CG MET A 1 34.443 -10.233 -10.222 1.00 51.43 C ATOM 7 SD MET A 1 33.129 -9.888 -11.411 1.00 23.51 S ATOM 8 CE MET A 1 34.022 -8.912 -12.621 1.00 53.01 C ATOM 0 H1 MET A 1 32.754 -8.367 -8.146 1.00 72.50 H new ATOM 0 H2 MET A 1 33.007 -9.142 -6.657 1.00 72.50 H new ATOM 0 H3 MET A 1 34.269 -9.047 -7.789 1.00 72.50 H new ATOM 0 HA MET A 1 31.975 -10.233 -8.944 1.00 73.22 H new ATOM 0 HB2 MET A 1 34.792 -11.260 -8.375 1.00 54.43 H new ATOM 0 HB3 MET A 1 33.637 -12.052 -9.428 1.00 54.43 H new ATOM 0 HG2 MET A 1 34.844 -9.292 -9.844 1.00 51.43 H new ATOM 0 HG3 MET A 1 35.260 -10.748 -10.727 1.00 51.43 H new ATOM 0 HE1 MET A 1 33.345 -8.620 -13.424 1.00 53.01 H new ATOM 0 HE2 MET A 1 34.424 -8.019 -12.143 1.00 53.01 H new ATOM 0 HE3 MET A 1 34.840 -9.503 -13.033 1.00 53.01 H new ATOM 20 N GLY A 2 31.484 -12.382 -7.587 1.00 54.14 N ATOM 21 CA GLY A 2 30.983 -13.382 -6.648 1.00 13.31 C ATOM 22 C GLY A 2 29.609 -13.044 -6.068 1.00 32.15 C ATOM 23 O GLY A 2 29.510 -12.369 -5.039 1.00 31.42 O ATOM 0 H GLY A 2 31.154 -12.494 -8.545 1.00 54.14 H new ATOM 0 HA2 GLY A 2 30.928 -14.346 -7.153 1.00 13.31 H new ATOM 0 HA3 GLY A 2 31.696 -13.490 -5.831 1.00 13.31 H new ATOM 27 N HIS A 3 28.546 -13.513 -6.726 1.00 25.20 N ATOM 28 CA HIS A 3 27.171 -13.323 -6.241 1.00 23.31 C ATOM 29 C HIS A 3 26.909 -14.201 -4.998 1.00 51.53 C ATOM 30 O HIS A 3 26.134 -15.159 -5.039 1.00 33.41 O ATOM 31 CB HIS A 3 26.180 -13.655 -7.371 1.00 64.32 C ATOM 32 CG HIS A 3 24.741 -13.415 -7.029 1.00 12.41 C ATOM 33 ND1 HIS A 3 23.865 -14.430 -6.718 1.00 12.21 N ATOM 34 CD2 HIS A 3 24.017 -12.270 -6.969 1.00 14.00 C ATOM 35 CE1 HIS A 3 22.671 -13.929 -6.484 1.00 23.21 C ATOM 36 NE2 HIS A 3 22.732 -12.619 -6.628 1.00 1.13 N ATOM 0 H HIS A 3 28.609 -14.031 -7.602 1.00 25.20 H new ATOM 0 HA HIS A 3 27.032 -12.283 -5.946 1.00 23.31 H new ATOM 0 HB2 HIS A 3 26.436 -13.059 -8.247 1.00 64.32 H new ATOM 0 HB3 HIS A 3 26.304 -14.702 -7.649 1.00 64.32 H new ATOM 0 HD2 HIS A 3 24.382 -11.271 -7.154 1.00 14.00 H new ATOM 0 HE1 HIS A 3 21.790 -14.495 -6.219 1.00 23.21 H new ATOM 0 HE2 HIS A 3 21.953 -11.971 -6.506 1.00 1.13 H new ATOM 45 N HIS A 4 27.568 -13.854 -3.891 1.00 14.14 N ATOM 46 CA HIS A 4 27.573 -14.694 -2.683 1.00 32.03 C ATOM 47 C HIS A 4 26.474 -14.328 -1.672 1.00 44.25 C ATOM 48 O HIS A 4 26.251 -15.065 -0.715 1.00 32.10 O ATOM 49 CB HIS A 4 28.948 -14.626 -2.001 1.00 33.42 C ATOM 50 CG HIS A 4 29.448 -13.231 -1.750 1.00 1.13 C ATOM 51 ND1 HIS A 4 30.539 -12.700 -2.401 1.00 73.33 N ATOM 52 CD2 HIS A 4 29.011 -12.259 -0.909 1.00 64.34 C ATOM 53 CE1 HIS A 4 30.753 -11.474 -1.978 1.00 53.42 C ATOM 54 NE2 HIS A 4 29.842 -11.181 -1.074 1.00 54.35 N ATOM 0 H HIS A 4 28.109 -12.994 -3.802 1.00 14.14 H new ATOM 0 HA HIS A 4 27.362 -15.710 -3.017 1.00 32.03 H new ATOM 0 HB2 HIS A 4 28.895 -15.157 -1.050 1.00 33.42 H new ATOM 0 HB3 HIS A 4 29.674 -15.153 -2.620 1.00 33.42 H new ATOM 0 HD2 HIS A 4 28.168 -12.323 -0.237 1.00 64.34 H new ATOM 0 HE1 HIS A 4 31.542 -10.818 -2.315 1.00 53.42 H new ATOM 0 HE2 HIS A 4 29.766 -10.294 -0.576 1.00 54.35 H new ATOM 63 N HIS A 5 25.792 -13.200 -1.874 1.00 1.45 N ATOM 64 CA HIS A 5 24.728 -12.775 -0.946 1.00 64.15 C ATOM 65 C HIS A 5 23.571 -13.797 -0.918 1.00 52.31 C ATOM 66 O HIS A 5 22.752 -13.807 0.000 1.00 34.21 O ATOM 67 CB HIS A 5 24.209 -11.380 -1.322 1.00 24.35 C ATOM 68 CG HIS A 5 23.272 -10.780 -0.306 1.00 32.41 C ATOM 69 ND1 HIS A 5 22.236 -9.933 -0.641 1.00 42.12 N ATOM 70 CD2 HIS A 5 23.224 -10.900 1.046 1.00 75.40 C ATOM 71 CE1 HIS A 5 21.596 -9.565 0.452 1.00 34.12 C ATOM 72 NE2 HIS A 5 22.173 -10.137 1.485 1.00 71.23 N ATOM 0 H HIS A 5 25.949 -12.568 -2.659 1.00 1.45 H new ATOM 0 HA HIS A 5 25.156 -12.726 0.055 1.00 64.15 H new ATOM 0 HB2 HIS A 5 25.059 -10.711 -1.456 1.00 24.35 H new ATOM 0 HB3 HIS A 5 23.697 -11.441 -2.282 1.00 24.35 H new ATOM 0 HD2 HIS A 5 23.890 -11.487 1.661 1.00 75.40 H new ATOM 0 HE1 HIS A 5 20.742 -8.905 0.491 1.00 34.12 H new ATOM 0 HE2 HIS A 5 21.885 -10.030 2.458 1.00 71.23 H new ATOM 81 N HIS A 6 23.515 -14.641 -1.943 1.00 13.43 N ATOM 82 CA HIS A 6 22.569 -15.760 -2.000 1.00 2.33 C ATOM 83 C HIS A 6 22.996 -16.749 -3.094 1.00 73.00 C ATOM 84 O HIS A 6 22.946 -16.429 -4.283 1.00 23.42 O ATOM 85 CB HIS A 6 21.132 -15.265 -2.249 1.00 71.31 C ATOM 86 CG HIS A 6 20.166 -15.654 -1.167 1.00 24.03 C ATOM 87 ND1 HIS A 6 19.575 -16.900 -1.096 1.00 12.34 N ATOM 88 CD2 HIS A 6 19.688 -14.957 -0.107 1.00 63.32 C ATOM 89 CE1 HIS A 6 18.777 -16.949 -0.047 1.00 14.41 C ATOM 90 NE2 HIS A 6 18.828 -15.788 0.568 1.00 5.14 N ATOM 0 H HIS A 6 24.122 -14.572 -2.760 1.00 13.43 H new ATOM 0 HA HIS A 6 22.580 -16.268 -1.036 1.00 2.33 H new ATOM 0 HB2 HIS A 6 21.142 -14.179 -2.342 1.00 71.31 H new ATOM 0 HB3 HIS A 6 20.779 -15.664 -3.200 1.00 71.31 H new ATOM 0 HD2 HIS A 6 19.937 -13.940 0.157 1.00 63.32 H new ATOM 0 HE1 HIS A 6 18.183 -17.798 0.255 1.00 14.41 H new ATOM 0 HE2 HIS A 6 18.311 -15.543 1.412 1.00 5.14 H new ATOM 99 N HIS A 7 23.428 -17.939 -2.680 1.00 44.40 N ATOM 100 CA HIS A 7 23.930 -18.955 -3.615 1.00 0.02 C ATOM 101 C HIS A 7 22.830 -19.432 -4.581 1.00 64.53 C ATOM 102 O HIS A 7 21.660 -19.537 -4.205 1.00 4.24 O ATOM 103 CB HIS A 7 24.522 -20.137 -2.836 1.00 31.23 C ATOM 104 CG HIS A 7 25.698 -19.755 -1.986 1.00 74.42 C ATOM 105 ND1 HIS A 7 25.631 -19.638 -0.615 1.00 22.34 N ATOM 106 CD2 HIS A 7 26.979 -19.460 -2.319 1.00 2.43 C ATOM 107 CE1 HIS A 7 26.809 -19.288 -0.144 1.00 23.50 C ATOM 108 NE2 HIS A 7 27.645 -19.174 -1.153 1.00 24.51 N ATOM 0 H HIS A 7 23.442 -18.228 -1.702 1.00 44.40 H new ATOM 0 HA HIS A 7 24.715 -18.500 -4.220 1.00 0.02 H new ATOM 0 HB2 HIS A 7 23.748 -20.570 -2.201 1.00 31.23 H new ATOM 0 HB3 HIS A 7 24.827 -20.911 -3.540 1.00 31.23 H new ATOM 0 HD2 HIS A 7 27.397 -19.452 -3.315 1.00 2.43 H new ATOM 0 HE1 HIS A 7 27.049 -19.122 0.896 1.00 23.50 H new ATOM 0 HE2 HIS A 7 28.629 -18.915 -1.081 1.00 24.51 H new ATOM 117 N HIS A 8 23.218 -19.728 -5.825 1.00 53.25 N ATOM 118 CA HIS A 8 22.245 -20.034 -6.884 1.00 0.15 C ATOM 119 C HIS A 8 21.487 -21.350 -6.616 1.00 1.21 C ATOM 120 O HIS A 8 22.014 -22.446 -6.805 1.00 61.14 O ATOM 121 CB HIS A 8 22.918 -20.064 -8.269 1.00 33.25 C ATOM 122 CG HIS A 8 23.964 -21.130 -8.447 1.00 44.20 C ATOM 123 ND1 HIS A 8 23.674 -22.407 -8.884 1.00 43.42 N ATOM 124 CD2 HIS A 8 25.304 -21.099 -8.266 1.00 52.13 C ATOM 125 CE1 HIS A 8 24.784 -23.109 -8.956 1.00 24.54 C ATOM 126 NE2 HIS A 8 25.786 -22.341 -8.590 1.00 41.54 N ATOM 0 H HIS A 8 24.192 -19.763 -6.125 1.00 53.25 H new ATOM 0 HA HIS A 8 21.510 -19.229 -6.878 1.00 0.15 H new ATOM 0 HB2 HIS A 8 22.147 -20.203 -9.027 1.00 33.25 H new ATOM 0 HB3 HIS A 8 23.376 -19.093 -8.454 1.00 33.25 H new ATOM 0 HD2 HIS A 8 25.886 -20.254 -7.929 1.00 52.13 H new ATOM 0 HE1 HIS A 8 24.859 -24.141 -9.264 1.00 24.54 H new ATOM 0 HE2 HIS A 8 26.765 -22.624 -8.553 1.00 41.54 H new ATOM 135 N SER A 9 20.248 -21.218 -6.159 1.00 53.13 N ATOM 136 CA SER A 9 19.367 -22.368 -5.914 1.00 35.31 C ATOM 137 C SER A 9 17.900 -21.942 -6.050 1.00 3.22 C ATOM 138 O SER A 9 17.498 -20.904 -5.518 1.00 51.13 O ATOM 139 CB SER A 9 19.616 -22.961 -4.516 1.00 11.05 C ATOM 140 OG SER A 9 19.357 -22.012 -3.491 1.00 34.33 O ATOM 0 H SER A 9 19.821 -20.317 -5.946 1.00 53.13 H new ATOM 0 HA SER A 9 19.589 -23.135 -6.656 1.00 35.31 H new ATOM 0 HB2 SER A 9 18.980 -23.835 -4.372 1.00 11.05 H new ATOM 0 HB3 SER A 9 20.649 -23.303 -4.444 1.00 11.05 H new ATOM 0 HG SER A 9 19.523 -22.422 -2.616 1.00 34.33 H new ATOM 146 N HIS A 10 17.101 -22.733 -6.767 1.00 13.32 N ATOM 147 CA HIS A 10 15.705 -22.370 -7.022 1.00 50.12 C ATOM 148 C HIS A 10 14.836 -22.552 -5.773 1.00 55.12 C ATOM 149 O HIS A 10 14.472 -23.671 -5.411 1.00 13.02 O ATOM 150 CB HIS A 10 15.120 -23.192 -8.179 1.00 24.45 C ATOM 151 CG HIS A 10 13.708 -22.803 -8.518 1.00 61.13 C ATOM 152 ND1 HIS A 10 12.608 -23.292 -7.846 1.00 13.24 N ATOM 153 CD2 HIS A 10 13.219 -21.952 -9.452 1.00 42.24 C ATOM 154 CE1 HIS A 10 11.513 -22.765 -8.350 1.00 73.42 C ATOM 155 NE2 HIS A 10 11.853 -21.949 -9.325 1.00 22.14 N ATOM 0 H HIS A 10 17.391 -23.620 -7.178 1.00 13.32 H new ATOM 0 HA HIS A 10 15.699 -21.315 -7.297 1.00 50.12 H new ATOM 0 HB2 HIS A 10 15.748 -23.066 -9.061 1.00 24.45 H new ATOM 0 HB3 HIS A 10 15.147 -24.250 -7.917 1.00 24.45 H new ATOM 0 HD2 HIS A 10 13.797 -21.382 -10.164 1.00 42.24 H new ATOM 0 HE1 HIS A 10 10.505 -22.968 -8.019 1.00 73.42 H new ATOM 0 HE2 HIS A 10 11.206 -21.403 -9.894 1.00 22.14 H new ATOM 164 N MET A 11 14.518 -21.447 -5.118 1.00 33.13 N ATOM 165 CA MET A 11 13.590 -21.456 -3.986 1.00 31.13 C ATOM 166 C MET A 11 12.134 -21.350 -4.496 1.00 3.44 C ATOM 167 O MET A 11 11.917 -21.094 -5.685 1.00 25.50 O ATOM 168 CB MET A 11 13.935 -20.297 -3.036 1.00 42.11 C ATOM 169 CG MET A 11 15.379 -20.322 -2.547 1.00 40.44 C ATOM 170 SD MET A 11 15.752 -18.981 -1.396 1.00 31.42 S ATOM 171 CE MET A 11 14.688 -19.408 -0.017 1.00 23.32 C ATOM 0 H MET A 11 14.888 -20.525 -5.348 1.00 33.13 H new ATOM 0 HA MET A 11 13.684 -22.393 -3.437 1.00 31.13 H new ATOM 0 HB2 MET A 11 13.749 -19.352 -3.546 1.00 42.11 H new ATOM 0 HB3 MET A 11 13.267 -20.332 -2.175 1.00 42.11 H new ATOM 0 HG2 MET A 11 15.577 -21.277 -2.061 1.00 40.44 H new ATOM 0 HG3 MET A 11 16.049 -20.256 -3.404 1.00 40.44 H new ATOM 0 HE1 MET A 11 15.035 -18.898 0.882 1.00 23.32 H new ATOM 0 HE2 MET A 11 13.666 -19.100 -0.237 1.00 23.32 H new ATOM 0 HE3 MET A 11 14.716 -20.486 0.144 1.00 23.32 H new ATOM 181 N PRO A 12 11.116 -21.574 -3.628 1.00 54.45 N ATOM 182 CA PRO A 12 9.700 -21.469 -4.032 1.00 11.42 C ATOM 183 C PRO A 12 9.390 -20.197 -4.829 1.00 30.21 C ATOM 184 O PRO A 12 8.933 -20.255 -5.976 1.00 31.41 O ATOM 185 CB PRO A 12 8.957 -21.473 -2.690 1.00 33.45 C ATOM 186 CG PRO A 12 9.835 -22.266 -1.785 1.00 13.12 C ATOM 187 CD PRO A 12 11.253 -21.967 -2.208 1.00 11.21 C ATOM 0 HA PRO A 12 9.409 -22.277 -4.703 1.00 11.42 H new ATOM 0 HB2 PRO A 12 8.809 -20.461 -2.314 1.00 33.45 H new ATOM 0 HB3 PRO A 12 7.970 -21.926 -2.783 1.00 33.45 H new ATOM 0 HG2 PRO A 12 9.673 -21.989 -0.743 1.00 13.12 H new ATOM 0 HG3 PRO A 12 9.620 -23.331 -1.869 1.00 13.12 H new ATOM 0 HD2 PRO A 12 11.689 -21.167 -1.611 1.00 11.21 H new ATOM 0 HD3 PRO A 12 11.898 -22.838 -2.093 1.00 11.21 H new ATOM 195 N ASP A 13 9.648 -19.063 -4.198 1.00 31.44 N ATOM 196 CA ASP A 13 9.477 -17.734 -4.811 1.00 12.43 C ATOM 197 C ASP A 13 8.038 -17.465 -5.281 1.00 44.40 C ATOM 198 O ASP A 13 7.290 -16.733 -4.639 1.00 12.24 O ATOM 199 CB ASP A 13 10.446 -17.558 -5.984 1.00 35.22 C ATOM 200 CG ASP A 13 11.854 -17.237 -5.538 1.00 33.23 C ATOM 201 OD1 ASP A 13 12.569 -18.152 -5.085 1.00 53.35 O ATOM 202 OD2 ASP A 13 12.255 -16.057 -5.636 1.00 60.32 O ATOM 0 H ASP A 13 9.986 -19.027 -3.236 1.00 31.44 H new ATOM 0 HA ASP A 13 9.700 -17.006 -4.031 1.00 12.43 H new ATOM 0 HB2 ASP A 13 10.458 -18.471 -6.580 1.00 35.22 H new ATOM 0 HB3 ASP A 13 10.084 -16.759 -6.632 1.00 35.22 H new ATOM 207 N HIS A 14 7.666 -18.057 -6.413 1.00 34.44 N ATOM 208 CA HIS A 14 6.366 -17.808 -7.033 1.00 71.33 C ATOM 209 C HIS A 14 5.208 -18.267 -6.134 1.00 14.43 C ATOM 210 O HIS A 14 4.121 -17.690 -6.183 1.00 24.45 O ATOM 211 CB HIS A 14 6.293 -18.518 -8.394 1.00 12.12 C ATOM 212 CG HIS A 14 5.143 -18.080 -9.249 1.00 41.11 C ATOM 213 ND1 HIS A 14 4.273 -18.955 -9.865 1.00 10.51 N ATOM 214 CD2 HIS A 14 4.740 -16.840 -9.615 1.00 21.32 C ATOM 215 CE1 HIS A 14 3.392 -18.273 -10.570 1.00 62.43 C ATOM 216 NE2 HIS A 14 3.652 -16.990 -10.435 1.00 53.23 N ATOM 0 H HIS A 14 8.251 -18.718 -6.924 1.00 34.44 H new ATOM 0 HA HIS A 14 6.264 -16.732 -7.176 1.00 71.33 H new ATOM 0 HB2 HIS A 14 7.223 -18.341 -8.935 1.00 12.12 H new ATOM 0 HB3 HIS A 14 6.220 -19.593 -8.228 1.00 12.12 H new ATOM 0 HD1 HIS A 14 4.306 -19.971 -9.787 1.00 10.51 H new ATOM 0 HD2 HIS A 14 5.192 -15.906 -9.316 1.00 21.32 H new ATOM 0 HE1 HIS A 14 2.592 -18.696 -11.159 1.00 62.43 H new ATOM 225 N GLY A 15 5.447 -19.300 -5.319 1.00 43.04 N ATOM 226 CA GLY A 15 4.386 -19.870 -4.483 1.00 15.11 C ATOM 227 C GLY A 15 3.358 -20.650 -5.299 1.00 33.34 C ATOM 228 O GLY A 15 3.159 -21.847 -5.098 1.00 4.10 O ATOM 0 H GLY A 15 6.355 -19.754 -5.221 1.00 43.04 H new ATOM 0 HA2 GLY A 15 4.830 -20.529 -3.737 1.00 15.11 H new ATOM 0 HA3 GLY A 15 3.884 -19.068 -3.942 1.00 15.11 H new ATOM 232 N ASP A 16 2.699 -19.949 -6.216 1.00 22.33 N ATOM 233 CA ASP A 16 1.778 -20.551 -7.180 1.00 41.54 C ATOM 234 C ASP A 16 2.475 -21.640 -8.023 1.00 43.44 C ATOM 235 O ASP A 16 3.256 -21.333 -8.927 1.00 52.52 O ATOM 236 CB ASP A 16 1.226 -19.432 -8.084 1.00 71.43 C ATOM 237 CG ASP A 16 0.312 -19.921 -9.201 1.00 23.34 C ATOM 238 OD1 ASP A 16 0.827 -20.348 -10.260 1.00 23.32 O ATOM 239 OD2 ASP A 16 -0.919 -19.836 -9.046 1.00 44.20 O ATOM 0 H ASP A 16 2.788 -18.938 -6.314 1.00 22.33 H new ATOM 0 HA ASP A 16 0.963 -21.038 -6.646 1.00 41.54 H new ATOM 0 HB2 ASP A 16 0.677 -18.720 -7.467 1.00 71.43 H new ATOM 0 HB3 ASP A 16 2.063 -18.892 -8.526 1.00 71.43 H new ATOM 244 N TRP A 17 2.234 -22.904 -7.685 1.00 25.13 N ATOM 245 CA TRP A 17 2.646 -24.023 -8.543 1.00 54.24 C ATOM 246 C TRP A 17 1.525 -24.325 -9.544 1.00 44.01 C ATOM 247 O TRP A 17 1.703 -24.197 -10.758 1.00 34.12 O ATOM 248 CB TRP A 17 2.973 -25.268 -7.706 1.00 53.43 C ATOM 249 CG TRP A 17 4.087 -25.056 -6.723 1.00 50.24 C ATOM 250 CD1 TRP A 17 3.988 -25.058 -5.363 1.00 10.10 C ATOM 251 CD2 TRP A 17 5.467 -24.799 -7.025 1.00 52.31 C ATOM 252 NE1 TRP A 17 5.219 -24.832 -4.799 1.00 34.02 N ATOM 253 CE2 TRP A 17 6.144 -24.665 -5.797 1.00 43.41 C ATOM 254 CE3 TRP A 17 6.197 -24.669 -8.212 1.00 22.03 C ATOM 255 CZ2 TRP A 17 7.511 -24.413 -5.721 1.00 40.31 C ATOM 256 CZ3 TRP A 17 7.555 -24.418 -8.136 1.00 5.31 C ATOM 257 CH2 TRP A 17 8.200 -24.292 -6.898 1.00 45.55 C ATOM 0 H TRP A 17 1.758 -23.183 -6.827 1.00 25.13 H new ATOM 0 HA TRP A 17 3.551 -23.744 -9.083 1.00 54.24 H new ATOM 0 HB2 TRP A 17 2.078 -25.578 -7.167 1.00 53.43 H new ATOM 0 HB3 TRP A 17 3.241 -26.085 -8.375 1.00 53.43 H new ATOM 0 HD1 TRP A 17 3.074 -25.215 -4.810 1.00 10.10 H new ATOM 0 HE1 TRP A 17 5.414 -24.794 -3.799 1.00 34.02 H new ATOM 0 HE3 TRP A 17 5.708 -24.763 -9.171 1.00 22.03 H new ATOM 0 HZ2 TRP A 17 8.010 -24.316 -4.768 1.00 40.31 H new ATOM 0 HZ3 TRP A 17 8.128 -24.317 -9.046 1.00 5.31 H new ATOM 0 HH2 TRP A 17 9.262 -24.096 -6.872 1.00 45.55 H new ATOM 268 N THR A 18 0.374 -24.738 -9.015 1.00 40.22 N ATOM 269 CA THR A 18 -0.885 -24.734 -9.773 1.00 75.31 C ATOM 270 C THR A 18 -1.676 -23.463 -9.424 1.00 22.14 C ATOM 271 O THR A 18 -1.283 -22.725 -8.520 1.00 42.41 O ATOM 272 CB THR A 18 -1.757 -25.981 -9.476 1.00 23.24 C ATOM 273 OG1 THR A 18 -2.973 -25.934 -10.244 1.00 5.04 O ATOM 274 CG2 THR A 18 -2.089 -26.078 -7.989 1.00 25.42 C ATOM 0 H THR A 18 0.283 -25.082 -8.059 1.00 40.22 H new ATOM 0 HA THR A 18 -0.635 -24.756 -10.834 1.00 75.31 H new ATOM 0 HB THR A 18 -1.186 -26.865 -9.760 1.00 23.24 H new ATOM 0 HG1 THR A 18 -3.514 -26.728 -10.049 1.00 5.04 H new ATOM 0 HG21 THR A 18 -2.701 -26.962 -7.810 1.00 25.42 H new ATOM 0 HG22 THR A 18 -1.166 -26.154 -7.414 1.00 25.42 H new ATOM 0 HG23 THR A 18 -2.637 -25.188 -7.680 1.00 25.42 H new ATOM 282 N TYR A 19 -2.782 -23.206 -10.121 1.00 12.21 N ATOM 283 CA TYR A 19 -3.532 -21.954 -9.932 1.00 75.32 C ATOM 284 C TYR A 19 -4.004 -21.765 -8.474 1.00 71.32 C ATOM 285 O TYR A 19 -5.011 -22.338 -8.046 1.00 72.14 O ATOM 286 CB TYR A 19 -4.730 -21.885 -10.889 1.00 31.32 C ATOM 287 CG TYR A 19 -5.432 -20.539 -10.874 1.00 2.13 C ATOM 288 CD1 TYR A 19 -4.836 -19.420 -11.450 1.00 42.53 C ATOM 289 CD2 TYR A 19 -6.681 -20.382 -10.280 1.00 52.33 C ATOM 290 CE1 TYR A 19 -5.463 -18.189 -11.433 1.00 51.42 C ATOM 291 CE2 TYR A 19 -7.314 -19.154 -10.262 1.00 1.14 C ATOM 292 CZ TYR A 19 -6.701 -18.062 -10.839 1.00 12.13 C ATOM 293 OH TYR A 19 -7.328 -16.836 -10.820 1.00 5.41 O ATOM 0 H TYR A 19 -3.180 -23.838 -10.816 1.00 12.21 H new ATOM 0 HA TYR A 19 -2.845 -21.140 -10.161 1.00 75.32 H new ATOM 0 HB2 TYR A 19 -4.390 -22.099 -11.902 1.00 31.32 H new ATOM 0 HB3 TYR A 19 -5.445 -22.663 -10.622 1.00 31.32 H new ATOM 0 HD1 TYR A 19 -3.867 -19.516 -11.918 1.00 42.53 H new ATOM 0 HD2 TYR A 19 -7.164 -21.235 -9.825 1.00 52.33 H new ATOM 0 HE1 TYR A 19 -4.986 -17.331 -11.883 1.00 51.42 H new ATOM 0 HE2 TYR A 19 -8.284 -19.050 -9.798 1.00 1.14 H new ATOM 0 HH TYR A 19 -6.972 -16.298 -10.082 1.00 5.41 H new ATOM 303 N GLU A 20 -3.256 -20.957 -7.726 1.00 25.23 N ATOM 304 CA GLU A 20 -3.582 -20.628 -6.332 1.00 72.13 C ATOM 305 C GLU A 20 -4.405 -19.335 -6.220 1.00 51.52 C ATOM 306 O GLU A 20 -4.628 -18.628 -7.204 1.00 53.30 O ATOM 307 CB GLU A 20 -2.286 -20.488 -5.511 1.00 4.21 C ATOM 308 CG GLU A 20 -1.634 -21.817 -5.133 1.00 75.15 C ATOM 309 CD GLU A 20 -2.389 -22.546 -4.029 1.00 62.14 C ATOM 310 OE1 GLU A 20 -3.401 -23.213 -4.329 1.00 62.12 O ATOM 311 OE2 GLU A 20 -1.978 -22.445 -2.852 1.00 70.44 O ATOM 0 H GLU A 20 -2.405 -20.509 -8.066 1.00 25.23 H new ATOM 0 HA GLU A 20 -4.189 -21.443 -5.937 1.00 72.13 H new ATOM 0 HB2 GLU A 20 -1.571 -19.895 -6.081 1.00 4.21 H new ATOM 0 HB3 GLU A 20 -2.506 -19.932 -4.599 1.00 4.21 H new ATOM 0 HG2 GLU A 20 -1.581 -22.455 -6.015 1.00 75.15 H new ATOM 0 HG3 GLU A 20 -0.609 -21.636 -4.809 1.00 75.15 H new ATOM 318 N GLU A 21 -4.853 -19.042 -5.001 1.00 73.22 N ATOM 319 CA GLU A 21 -5.592 -17.808 -4.699 1.00 71.25 C ATOM 320 C GLU A 21 -5.016 -17.136 -3.442 1.00 32.11 C ATOM 321 O GLU A 21 -3.941 -17.505 -2.965 1.00 62.04 O ATOM 322 CB GLU A 21 -7.079 -18.125 -4.473 1.00 73.23 C ATOM 323 CG GLU A 21 -7.766 -18.802 -5.654 1.00 64.32 C ATOM 324 CD GLU A 21 -9.222 -19.131 -5.366 1.00 44.40 C ATOM 325 OE1 GLU A 21 -9.486 -20.166 -4.719 1.00 74.13 O ATOM 326 OE2 GLU A 21 -10.109 -18.352 -5.778 1.00 24.15 O ATOM 0 H GLU A 21 -4.717 -19.649 -4.193 1.00 73.22 H new ATOM 0 HA GLU A 21 -5.492 -17.129 -5.546 1.00 71.25 H new ATOM 0 HB2 GLU A 21 -7.172 -18.768 -3.597 1.00 73.23 H new ATOM 0 HB3 GLU A 21 -7.605 -17.198 -4.245 1.00 73.23 H new ATOM 0 HG2 GLU A 21 -7.709 -18.151 -6.526 1.00 64.32 H new ATOM 0 HG3 GLU A 21 -7.232 -19.718 -5.905 1.00 64.32 H new ATOM 333 N GLN A 22 -5.727 -16.142 -2.912 1.00 3.12 N ATOM 334 CA GLN A 22 -5.361 -15.545 -1.623 1.00 43.51 C ATOM 335 C GLN A 22 -5.451 -16.596 -0.495 1.00 24.21 C ATOM 336 O GLN A 22 -6.453 -17.304 -0.370 1.00 10.13 O ATOM 337 CB GLN A 22 -6.248 -14.314 -1.329 1.00 24.23 C ATOM 338 CG GLN A 22 -7.761 -14.571 -1.383 1.00 53.43 C ATOM 339 CD GLN A 22 -8.344 -15.108 -0.081 1.00 33.15 C ATOM 340 OE1 GLN A 22 -7.792 -14.695 1.045 1.00 63.43 O flip ATOM 341 NE2 GLN A 22 -9.304 -15.871 -0.084 1.00 32.33 N flip ATOM 0 H GLN A 22 -6.554 -15.734 -3.349 1.00 3.12 H new ATOM 0 HA GLN A 22 -4.327 -15.204 -1.672 1.00 43.51 H new ATOM 0 HB2 GLN A 22 -5.996 -13.932 -0.340 1.00 24.23 H new ATOM 0 HB3 GLN A 22 -6.003 -13.530 -2.046 1.00 24.23 H new ATOM 0 HG2 GLN A 22 -8.268 -13.641 -1.640 1.00 53.43 H new ATOM 0 HG3 GLN A 22 -7.971 -15.281 -2.183 1.00 53.43 H new ATOM 0 HE21 GLN A 22 -9.711 -16.175 -0.968 1.00 32.33 H new ATOM 0 HE22 GLN A 22 -9.695 -16.202 0.798 1.00 32.33 H new ATOM 350 N PHE A 23 -4.391 -16.715 0.306 1.00 21.43 N ATOM 351 CA PHE A 23 -4.321 -17.747 1.353 1.00 22.21 C ATOM 352 C PHE A 23 -4.308 -17.166 2.782 1.00 51.32 C ATOM 353 O PHE A 23 -4.210 -15.953 2.982 1.00 21.44 O ATOM 354 CB PHE A 23 -3.108 -18.666 1.116 1.00 53.51 C ATOM 355 CG PHE A 23 -1.827 -17.950 0.758 1.00 31.22 C ATOM 356 CD1 PHE A 23 -1.024 -17.388 1.739 1.00 73.21 C ATOM 357 CD2 PHE A 23 -1.417 -17.861 -0.567 1.00 75.11 C ATOM 358 CE1 PHE A 23 0.156 -16.749 1.407 1.00 2.40 C ATOM 359 CE2 PHE A 23 -0.240 -17.222 -0.901 1.00 11.32 C ATOM 360 CZ PHE A 23 0.549 -16.667 0.086 1.00 1.13 C ATOM 0 H PHE A 23 -3.569 -16.113 0.254 1.00 21.43 H new ATOM 0 HA PHE A 23 -5.236 -18.335 1.278 1.00 22.21 H new ATOM 0 HB2 PHE A 23 -2.937 -19.257 2.016 1.00 53.51 H new ATOM 0 HB3 PHE A 23 -3.352 -19.366 0.316 1.00 53.51 H new ATOM 0 HD1 PHE A 23 -1.324 -17.450 2.775 1.00 73.21 H new ATOM 0 HD2 PHE A 23 -2.027 -18.297 -1.345 1.00 75.11 H new ATOM 0 HE1 PHE A 23 0.771 -16.314 2.181 1.00 2.40 H new ATOM 0 HE2 PHE A 23 0.064 -17.156 -1.935 1.00 11.32 H new ATOM 0 HZ PHE A 23 1.472 -16.170 -0.174 1.00 1.13 H new ATOM 370 N LYS A 24 -4.390 -18.066 3.766 1.00 4.33 N ATOM 371 CA LYS A 24 -4.611 -17.703 5.178 1.00 71.31 C ATOM 372 C LYS A 24 -3.402 -16.994 5.828 1.00 4.23 C ATOM 373 O LYS A 24 -3.561 -16.270 6.815 1.00 2.12 O ATOM 374 CB LYS A 24 -4.960 -18.974 5.974 1.00 5.43 C ATOM 375 CG LYS A 24 -5.337 -18.729 7.439 1.00 25.54 C ATOM 376 CD LYS A 24 -6.629 -17.925 7.583 1.00 22.44 C ATOM 377 CE LYS A 24 -7.829 -18.656 6.983 1.00 61.34 C ATOM 378 NZ LYS A 24 -8.090 -19.962 7.652 1.00 2.30 N ATOM 0 H LYS A 24 -4.305 -19.071 3.611 1.00 4.33 H new ATOM 0 HA LYS A 24 -5.434 -16.989 5.201 1.00 71.31 H new ATOM 0 HB2 LYS A 24 -5.789 -19.480 5.479 1.00 5.43 H new ATOM 0 HB3 LYS A 24 -4.108 -19.652 5.941 1.00 5.43 H new ATOM 0 HG2 LYS A 24 -5.450 -19.687 7.947 1.00 25.54 H new ATOM 0 HG3 LYS A 24 -4.525 -18.198 7.936 1.00 25.54 H new ATOM 0 HD2 LYS A 24 -6.816 -17.726 8.638 1.00 22.44 H new ATOM 0 HD3 LYS A 24 -6.511 -16.959 7.093 1.00 22.44 H new ATOM 0 HE2 LYS A 24 -8.714 -18.025 7.066 1.00 61.34 H new ATOM 0 HE3 LYS A 24 -7.655 -18.823 5.920 1.00 61.34 H new ATOM 0 HZ1 LYS A 24 -9.004 -20.340 7.331 1.00 2.30 H new ATOM 0 HZ2 LYS A 24 -7.333 -20.633 7.410 1.00 2.30 H new ATOM 0 HZ3 LYS A 24 -8.115 -19.825 8.683 1.00 2.30 H new ATOM 392 N GLN A 25 -2.206 -17.185 5.270 1.00 71.02 N ATOM 393 CA GLN A 25 -0.972 -16.649 5.870 1.00 45.15 C ATOM 394 C GLN A 25 -1.082 -15.148 6.213 1.00 72.55 C ATOM 395 O GLN A 25 -0.577 -14.710 7.248 1.00 40.23 O ATOM 396 CB GLN A 25 0.226 -16.891 4.938 1.00 70.44 C ATOM 397 CG GLN A 25 1.563 -16.372 5.470 1.00 65.22 C ATOM 398 CD GLN A 25 1.986 -17.012 6.788 1.00 61.51 C ATOM 399 OE1 GLN A 25 2.656 -18.040 6.809 1.00 25.22 O ATOM 400 NE2 GLN A 25 1.605 -16.407 7.896 1.00 42.31 N ATOM 0 H GLN A 25 -2.060 -17.705 4.405 1.00 71.02 H new ATOM 0 HA GLN A 25 -0.819 -17.183 6.808 1.00 45.15 H new ATOM 0 HB2 GLN A 25 0.315 -17.961 4.753 1.00 70.44 H new ATOM 0 HB3 GLN A 25 0.024 -16.417 3.978 1.00 70.44 H new ATOM 0 HG2 GLN A 25 2.336 -16.553 4.723 1.00 65.22 H new ATOM 0 HG3 GLN A 25 1.496 -15.292 5.605 1.00 65.22 H new ATOM 0 HE21 GLN A 25 1.048 -15.554 7.846 1.00 42.31 H new ATOM 0 HE22 GLN A 25 1.867 -16.792 8.803 1.00 42.31 H new ATOM 409 N LEU A 26 -1.753 -14.368 5.359 1.00 61.51 N ATOM 410 CA LEU A 26 -1.940 -12.928 5.611 1.00 34.30 C ATOM 411 C LEU A 26 -2.631 -12.664 6.958 1.00 62.22 C ATOM 412 O LEU A 26 -2.282 -11.724 7.674 1.00 13.22 O ATOM 413 CB LEU A 26 -2.751 -12.274 4.484 1.00 70.00 C ATOM 414 CG LEU A 26 -2.003 -12.071 3.158 1.00 1.42 C ATOM 415 CD1 LEU A 26 -2.926 -11.446 2.118 1.00 14.14 C ATOM 416 CD2 LEU A 26 -0.756 -11.209 3.357 1.00 72.35 C ATOM 0 H LEU A 26 -2.174 -14.703 4.492 1.00 61.51 H new ATOM 0 HA LEU A 26 -0.945 -12.485 5.645 1.00 34.30 H new ATOM 0 HB2 LEU A 26 -3.632 -12.886 4.293 1.00 70.00 H new ATOM 0 HB3 LEU A 26 -3.106 -11.304 4.832 1.00 70.00 H new ATOM 0 HG LEU A 26 -1.682 -13.048 2.797 1.00 1.42 H new ATOM 0 HD11 LEU A 26 -2.381 -11.308 1.184 1.00 14.14 H new ATOM 0 HD12 LEU A 26 -3.779 -12.103 1.947 1.00 14.14 H new ATOM 0 HD13 LEU A 26 -3.278 -10.479 2.478 1.00 14.14 H new ATOM 0 HD21 LEU A 26 -0.246 -11.081 2.402 1.00 72.35 H new ATOM 0 HD22 LEU A 26 -1.047 -10.233 3.746 1.00 72.35 H new ATOM 0 HD23 LEU A 26 -0.085 -11.697 4.064 1.00 72.35 H new ATOM 428 N TYR A 27 -3.608 -13.499 7.294 1.00 44.54 N ATOM 429 CA TYR A 27 -4.336 -13.368 8.558 1.00 21.13 C ATOM 430 C TYR A 27 -3.440 -13.771 9.741 1.00 10.14 C ATOM 431 O TYR A 27 -3.445 -13.132 10.796 1.00 52.40 O ATOM 432 CB TYR A 27 -5.600 -14.241 8.532 1.00 22.40 C ATOM 433 CG TYR A 27 -6.550 -13.916 7.388 1.00 64.12 C ATOM 434 CD1 TYR A 27 -6.306 -14.382 6.098 1.00 72.23 C ATOM 435 CD2 TYR A 27 -7.688 -13.143 7.597 1.00 53.14 C ATOM 436 CE1 TYR A 27 -7.165 -14.089 5.057 1.00 20.42 C ATOM 437 CE2 TYR A 27 -8.553 -12.847 6.559 1.00 64.11 C ATOM 438 CZ TYR A 27 -8.287 -13.324 5.291 1.00 73.42 C ATOM 439 OH TYR A 27 -9.143 -13.030 4.250 1.00 50.13 O ATOM 0 H TYR A 27 -3.917 -14.276 6.710 1.00 44.54 H new ATOM 0 HA TYR A 27 -4.627 -12.325 8.684 1.00 21.13 H new ATOM 0 HB2 TYR A 27 -5.305 -15.288 8.460 1.00 22.40 H new ATOM 0 HB3 TYR A 27 -6.131 -14.123 9.477 1.00 22.40 H new ATOM 0 HD1 TYR A 27 -5.429 -14.983 5.909 1.00 72.23 H new ATOM 0 HD2 TYR A 27 -7.900 -12.767 8.587 1.00 53.14 H new ATOM 0 HE1 TYR A 27 -6.958 -14.458 4.063 1.00 20.42 H new ATOM 0 HE2 TYR A 27 -9.432 -12.246 6.740 1.00 64.11 H new ATOM 0 HH TYR A 27 -9.885 -12.483 4.582 1.00 50.13 H new ATOM 449 N GLU A 28 -2.637 -14.813 9.532 1.00 24.04 N ATOM 450 CA GLU A 28 -1.783 -15.373 10.587 1.00 34.32 C ATOM 451 C GLU A 28 -0.413 -14.673 10.679 1.00 51.43 C ATOM 452 O GLU A 28 0.487 -15.163 11.360 1.00 54.43 O ATOM 453 CB GLU A 28 -1.573 -16.875 10.339 1.00 50.41 C ATOM 454 CG GLU A 28 -2.868 -17.671 10.217 1.00 24.22 C ATOM 455 CD GLU A 28 -2.622 -19.161 10.049 1.00 71.12 C ATOM 456 OE1 GLU A 28 -2.279 -19.591 8.931 1.00 5.34 O ATOM 457 OE2 GLU A 28 -2.759 -19.905 11.043 1.00 62.40 O ATOM 0 H GLU A 28 -2.557 -15.292 8.635 1.00 24.04 H new ATOM 0 HA GLU A 28 -2.296 -15.209 11.535 1.00 34.32 H new ATOM 0 HB2 GLU A 28 -0.992 -17.004 9.426 1.00 50.41 H new ATOM 0 HB3 GLU A 28 -0.980 -17.288 11.155 1.00 50.41 H new ATOM 0 HG2 GLU A 28 -3.478 -17.505 11.105 1.00 24.22 H new ATOM 0 HG3 GLU A 28 -3.439 -17.302 9.365 1.00 24.22 H new ATOM 464 N LEU A 29 -0.246 -13.535 9.999 1.00 62.22 N ATOM 465 CA LEU A 29 1.030 -12.801 10.054 1.00 31.12 C ATOM 466 C LEU A 29 1.354 -12.345 11.488 1.00 22.12 C ATOM 467 O LEU A 29 2.418 -12.659 12.026 1.00 72.23 O ATOM 468 CB LEU A 29 0.992 -11.589 9.114 1.00 33.11 C ATOM 469 CG LEU A 29 0.911 -11.919 7.616 1.00 2.13 C ATOM 470 CD1 LEU A 29 0.686 -10.656 6.788 1.00 5.42 C ATOM 471 CD2 LEU A 29 2.171 -12.646 7.153 1.00 44.23 C ATOM 0 H LEU A 29 -0.961 -13.105 9.413 1.00 62.22 H new ATOM 0 HA LEU A 29 1.817 -13.481 9.728 1.00 31.12 H new ATOM 0 HB2 LEU A 29 0.134 -10.971 9.380 1.00 33.11 H new ATOM 0 HB3 LEU A 29 1.884 -10.987 9.288 1.00 33.11 H new ATOM 0 HG LEU A 29 0.058 -12.580 7.465 1.00 2.13 H new ATOM 0 HD11 LEU A 29 0.633 -10.918 5.731 1.00 5.42 H new ATOM 0 HD12 LEU A 29 -0.248 -10.183 7.092 1.00 5.42 H new ATOM 0 HD13 LEU A 29 1.512 -9.964 6.949 1.00 5.42 H new ATOM 0 HD21 LEU A 29 2.092 -12.870 6.089 1.00 44.23 H new ATOM 0 HD22 LEU A 29 3.041 -12.013 7.327 1.00 44.23 H new ATOM 0 HD23 LEU A 29 2.281 -13.575 7.712 1.00 44.23 H new ATOM 483 N ASP A 30 0.423 -11.621 12.105 1.00 4.44 N ATOM 484 CA ASP A 30 0.545 -11.227 13.515 1.00 65.21 C ATOM 485 C ASP A 30 -0.596 -11.823 14.363 1.00 61.33 C ATOM 486 O ASP A 30 -0.573 -11.752 15.593 1.00 11.40 O ATOM 487 CB ASP A 30 0.554 -9.701 13.644 1.00 75.35 C ATOM 488 CG ASP A 30 1.784 -9.067 13.012 1.00 4.34 C ATOM 489 OD1 ASP A 30 1.814 -8.905 11.773 1.00 61.35 O ATOM 490 OD2 ASP A 30 2.730 -8.721 13.754 1.00 65.43 O ATOM 0 H ASP A 30 -0.430 -11.292 11.652 1.00 4.44 H new ATOM 0 HA ASP A 30 1.489 -11.622 13.891 1.00 65.21 H new ATOM 0 HB2 ASP A 30 -0.342 -9.295 13.174 1.00 75.35 H new ATOM 0 HB3 ASP A 30 0.511 -9.429 14.699 1.00 75.35 H new ATOM 495 N GLY A 31 -1.597 -12.402 13.694 1.00 40.35 N ATOM 496 CA GLY A 31 -2.716 -13.034 14.392 1.00 53.45 C ATOM 497 C GLY A 31 -3.604 -12.056 15.160 1.00 64.51 C ATOM 498 O GLY A 31 -4.087 -12.372 16.254 1.00 43.35 O ATOM 0 H GLY A 31 -1.654 -12.445 12.677 1.00 40.35 H new ATOM 0 HA2 GLY A 31 -3.327 -13.570 13.666 1.00 53.45 H new ATOM 0 HA3 GLY A 31 -2.324 -13.776 15.088 1.00 53.45 H new ATOM 502 N ASP A 32 -3.830 -10.871 14.596 1.00 65.23 N ATOM 503 CA ASP A 32 -4.682 -9.861 15.234 1.00 42.11 C ATOM 504 C ASP A 32 -6.170 -10.203 15.065 1.00 21.22 C ATOM 505 O ASP A 32 -6.595 -10.616 13.985 1.00 71.22 O ATOM 506 CB ASP A 32 -4.425 -8.481 14.619 1.00 21.31 C ATOM 507 CG ASP A 32 -2.949 -8.167 14.492 1.00 43.33 C ATOM 508 OD1 ASP A 32 -2.318 -7.826 15.510 1.00 71.31 O ATOM 509 OD2 ASP A 32 -2.416 -8.271 13.373 1.00 45.14 O ATOM 0 H ASP A 32 -3.437 -10.584 13.700 1.00 65.23 H new ATOM 0 HA ASP A 32 -4.435 -9.849 16.296 1.00 42.11 H new ATOM 0 HB2 ASP A 32 -4.889 -8.434 13.634 1.00 21.31 H new ATOM 0 HB3 ASP A 32 -4.904 -7.718 15.233 1.00 21.31 H new ATOM 514 N PRO A 33 -6.997 -10.007 16.112 1.00 15.13 N ATOM 515 CA PRO A 33 -8.457 -10.196 16.008 1.00 21.32 C ATOM 516 C PRO A 33 -9.108 -9.131 15.108 1.00 40.44 C ATOM 517 O PRO A 33 -10.290 -9.206 14.787 1.00 1.42 O ATOM 518 CB PRO A 33 -8.940 -10.061 17.460 1.00 72.20 C ATOM 519 CG PRO A 33 -7.897 -9.232 18.132 1.00 23.44 C ATOM 520 CD PRO A 33 -6.591 -9.593 17.471 1.00 53.01 C ATOM 0 HA PRO A 33 -8.722 -11.151 15.555 1.00 21.32 H new ATOM 0 HB2 PRO A 33 -9.918 -9.582 17.509 1.00 72.20 H new ATOM 0 HB3 PRO A 33 -9.038 -11.036 17.937 1.00 72.20 H new ATOM 0 HG2 PRO A 33 -8.111 -8.169 18.019 1.00 23.44 H new ATOM 0 HG3 PRO A 33 -7.863 -9.439 19.202 1.00 23.44 H new ATOM 0 HD2 PRO A 33 -5.906 -8.745 17.445 1.00 53.01 H new ATOM 0 HD3 PRO A 33 -6.082 -10.398 18.001 1.00 53.01 H new ATOM 528 N LYS A 34 -8.311 -8.139 14.709 1.00 65.54 N ATOM 529 CA LYS A 34 -8.775 -7.058 13.830 1.00 22.42 C ATOM 530 C LYS A 34 -8.341 -7.277 12.370 1.00 65.12 C ATOM 531 O LYS A 34 -8.940 -6.725 11.446 1.00 24.23 O ATOM 532 CB LYS A 34 -8.216 -5.719 14.333 1.00 42.30 C ATOM 533 CG LYS A 34 -8.640 -5.358 15.757 1.00 61.21 C ATOM 534 CD LYS A 34 -10.145 -5.133 15.869 1.00 51.21 C ATOM 535 CE LYS A 34 -10.618 -3.980 14.988 1.00 63.33 C ATOM 536 NZ LYS A 34 -9.998 -2.682 15.375 1.00 32.11 N ATOM 0 H LYS A 34 -7.332 -8.060 14.982 1.00 65.54 H new ATOM 0 HA LYS A 34 -9.865 -7.051 13.856 1.00 22.42 H new ATOM 0 HB2 LYS A 34 -7.127 -5.752 14.288 1.00 42.30 H new ATOM 0 HB3 LYS A 34 -8.539 -4.927 13.658 1.00 42.30 H new ATOM 0 HG2 LYS A 34 -8.342 -6.156 16.437 1.00 61.21 H new ATOM 0 HG3 LYS A 34 -8.115 -4.457 16.074 1.00 61.21 H new ATOM 0 HD2 LYS A 34 -10.670 -6.045 15.585 1.00 51.21 H new ATOM 0 HD3 LYS A 34 -10.404 -4.926 16.907 1.00 51.21 H new ATOM 0 HE2 LYS A 34 -10.378 -4.199 13.947 1.00 63.33 H new ATOM 0 HE3 LYS A 34 -11.703 -3.896 15.054 1.00 63.33 H new ATOM 0 HZ1 LYS A 34 -10.459 -1.908 14.855 1.00 32.11 H new ATOM 0 HZ2 LYS A 34 -10.117 -2.531 16.397 1.00 32.11 H new ATOM 0 HZ3 LYS A 34 -8.984 -2.699 15.144 1.00 32.11 H new ATOM 550 N ARG A 35 -7.306 -8.094 12.162 1.00 34.40 N ATOM 551 CA ARG A 35 -6.700 -8.250 10.833 1.00 61.00 C ATOM 552 C ARG A 35 -7.687 -8.841 9.807 1.00 22.21 C ATOM 553 O ARG A 35 -7.749 -8.379 8.667 1.00 71.34 O ATOM 554 CB ARG A 35 -5.427 -9.108 10.918 1.00 60.15 C ATOM 555 CG ARG A 35 -4.667 -9.219 9.594 1.00 20.31 C ATOM 556 CD ARG A 35 -3.258 -9.772 9.785 1.00 12.11 C ATOM 557 NE ARG A 35 -2.466 -8.941 10.690 1.00 61.54 N ATOM 558 CZ ARG A 35 -1.215 -8.620 10.506 1.00 64.12 C ATOM 559 NH1 ARG A 35 -0.577 -8.996 9.444 1.00 22.42 N ATOM 560 NH2 ARG A 35 -0.610 -7.912 11.398 1.00 54.33 N ATOM 0 H ARG A 35 -6.870 -8.657 12.892 1.00 34.40 H new ATOM 0 HA ARG A 35 -6.432 -7.254 10.482 1.00 61.00 H new ATOM 0 HB2 ARG A 35 -4.764 -8.684 11.672 1.00 60.15 H new ATOM 0 HB3 ARG A 35 -5.696 -10.108 11.257 1.00 60.15 H new ATOM 0 HG2 ARG A 35 -5.220 -9.865 8.912 1.00 20.31 H new ATOM 0 HG3 ARG A 35 -4.610 -8.236 9.126 1.00 20.31 H new ATOM 0 HD2 ARG A 35 -3.316 -10.786 10.180 1.00 12.11 H new ATOM 0 HD3 ARG A 35 -2.758 -9.835 8.818 1.00 12.11 H new ATOM 0 HE ARG A 35 -2.926 -8.585 11.528 1.00 61.54 H new ATOM 0 HH11 ARG A 35 -1.052 -9.553 8.734 1.00 22.42 H new ATOM 0 HH12 ARG A 35 0.401 -8.735 9.318 1.00 22.42 H new ATOM 0 HH21 ARG A 35 -1.110 -7.610 12.235 1.00 54.33 H new ATOM 0 HH22 ARG A 35 0.368 -7.654 11.267 1.00 54.33 H new ATOM 574 N LYS A 36 -8.455 -9.855 10.211 1.00 53.01 N ATOM 575 CA LYS A 36 -9.462 -10.453 9.318 1.00 2.53 C ATOM 576 C LYS A 36 -10.493 -9.408 8.852 1.00 72.12 C ATOM 577 O LYS A 36 -10.871 -9.380 7.685 1.00 33.43 O ATOM 578 CB LYS A 36 -10.190 -11.640 9.984 1.00 30.33 C ATOM 579 CG LYS A 36 -11.150 -11.252 11.112 1.00 53.04 C ATOM 580 CD LYS A 36 -10.462 -11.177 12.471 1.00 54.33 C ATOM 581 CE LYS A 36 -10.156 -12.563 13.027 1.00 34.14 C ATOM 582 NZ LYS A 36 -11.391 -13.380 13.166 1.00 21.31 N ATOM 0 H LYS A 36 -8.404 -10.278 11.138 1.00 53.01 H new ATOM 0 HA LYS A 36 -8.921 -10.826 8.448 1.00 2.53 H new ATOM 0 HB2 LYS A 36 -10.749 -12.181 9.220 1.00 30.33 H new ATOM 0 HB3 LYS A 36 -9.445 -12.329 10.381 1.00 30.33 H new ATOM 0 HG2 LYS A 36 -11.601 -10.286 10.884 1.00 53.04 H new ATOM 0 HG3 LYS A 36 -11.961 -11.979 11.160 1.00 53.04 H new ATOM 0 HD2 LYS A 36 -9.536 -10.610 12.379 1.00 54.33 H new ATOM 0 HD3 LYS A 36 -11.099 -10.637 13.172 1.00 54.33 H new ATOM 0 HE2 LYS A 36 -9.453 -13.073 12.368 1.00 34.14 H new ATOM 0 HE3 LYS A 36 -9.671 -12.467 13.998 1.00 34.14 H new ATOM 0 HZ1 LYS A 36 -11.381 -13.872 14.082 1.00 21.31 H new ATOM 0 HZ2 LYS A 36 -12.225 -12.760 13.115 1.00 21.31 H new ATOM 0 HZ3 LYS A 36 -11.432 -14.080 12.398 1.00 21.31 H new ATOM 596 N GLU A 37 -10.929 -8.541 9.768 1.00 74.22 N ATOM 597 CA GLU A 37 -11.924 -7.508 9.448 1.00 30.01 C ATOM 598 C GLU A 37 -11.359 -6.502 8.433 1.00 12.43 C ATOM 599 O GLU A 37 -12.067 -6.033 7.535 1.00 43.54 O ATOM 600 CB GLU A 37 -12.371 -6.782 10.728 1.00 74.35 C ATOM 601 CG GLU A 37 -12.812 -7.726 11.845 1.00 22.52 C ATOM 602 CD GLU A 37 -13.494 -7.008 13.003 1.00 14.30 C ATOM 603 OE1 GLU A 37 -12.817 -6.241 13.719 1.00 11.20 O ATOM 604 OE2 GLU A 37 -14.715 -7.205 13.193 1.00 23.21 O ATOM 0 H GLU A 37 -10.611 -8.531 10.737 1.00 74.22 H new ATOM 0 HA GLU A 37 -12.790 -7.995 9.000 1.00 30.01 H new ATOM 0 HB2 GLU A 37 -11.550 -6.163 11.090 1.00 74.35 H new ATOM 0 HB3 GLU A 37 -13.194 -6.110 10.486 1.00 74.35 H new ATOM 0 HG2 GLU A 37 -13.495 -8.470 11.435 1.00 22.52 H new ATOM 0 HG3 GLU A 37 -11.942 -8.264 12.221 1.00 22.52 H new ATOM 611 N PHE A 38 -10.078 -6.179 8.591 1.00 65.13 N ATOM 612 CA PHE A 38 -9.360 -5.312 7.649 1.00 2.44 C ATOM 613 C PHE A 38 -9.257 -5.969 6.260 1.00 4.45 C ATOM 614 O PHE A 38 -9.697 -5.406 5.259 1.00 32.11 O ATOM 615 CB PHE A 38 -7.956 -5.008 8.197 1.00 44.12 C ATOM 616 CG PHE A 38 -7.100 -4.154 7.288 1.00 75.10 C ATOM 617 CD1 PHE A 38 -6.303 -4.734 6.308 1.00 41.43 C ATOM 618 CD2 PHE A 38 -7.088 -2.772 7.421 1.00 1.55 C ATOM 619 CE1 PHE A 38 -5.518 -3.956 5.481 1.00 51.25 C ATOM 620 CE2 PHE A 38 -6.303 -1.991 6.594 1.00 65.25 C ATOM 621 CZ PHE A 38 -5.518 -2.584 5.624 1.00 63.31 C ATOM 0 H PHE A 38 -9.507 -6.507 9.370 1.00 65.13 H new ATOM 0 HA PHE A 38 -9.917 -4.382 7.540 1.00 2.44 H new ATOM 0 HB2 PHE A 38 -8.056 -4.505 9.159 1.00 44.12 H new ATOM 0 HB3 PHE A 38 -7.440 -5.950 8.382 1.00 44.12 H new ATOM 0 HD1 PHE A 38 -6.298 -5.808 6.192 1.00 41.43 H new ATOM 0 HD2 PHE A 38 -7.698 -2.303 8.178 1.00 1.55 H new ATOM 0 HE1 PHE A 38 -4.905 -4.421 4.723 1.00 51.25 H new ATOM 0 HE2 PHE A 38 -6.303 -0.917 6.706 1.00 65.25 H new ATOM 0 HZ PHE A 38 -4.905 -1.974 4.978 1.00 63.31 H new ATOM 631 N LEU A 39 -8.679 -7.170 6.219 1.00 54.14 N ATOM 632 CA LEU A 39 -8.460 -7.890 4.958 1.00 12.42 C ATOM 633 C LEU A 39 -9.780 -8.213 4.237 1.00 41.44 C ATOM 634 O LEU A 39 -9.878 -8.068 3.019 1.00 5.11 O ATOM 635 CB LEU A 39 -7.677 -9.186 5.217 1.00 3.34 C ATOM 636 CG LEU A 39 -6.260 -8.999 5.791 1.00 33.35 C ATOM 637 CD1 LEU A 39 -5.600 -10.353 6.056 1.00 51.00 C ATOM 638 CD2 LEU A 39 -5.399 -8.154 4.852 1.00 52.51 C ATOM 0 H LEU A 39 -8.352 -7.669 7.047 1.00 54.14 H new ATOM 0 HA LEU A 39 -7.881 -7.234 4.308 1.00 12.42 H new ATOM 0 HB2 LEU A 39 -8.251 -9.805 5.906 1.00 3.34 H new ATOM 0 HB3 LEU A 39 -7.601 -9.738 4.280 1.00 3.34 H new ATOM 0 HG LEU A 39 -6.347 -8.470 6.740 1.00 33.35 H new ATOM 0 HD11 LEU A 39 -4.600 -10.197 6.461 1.00 51.00 H new ATOM 0 HD12 LEU A 39 -6.198 -10.915 6.773 1.00 51.00 H new ATOM 0 HD13 LEU A 39 -5.530 -10.913 5.123 1.00 51.00 H new ATOM 0 HD21 LEU A 39 -4.403 -8.036 5.279 1.00 52.51 H new ATOM 0 HD22 LEU A 39 -5.322 -8.649 3.884 1.00 52.51 H new ATOM 0 HD23 LEU A 39 -5.857 -7.173 4.722 1.00 52.51 H new ATOM 650 N ASP A 40 -10.786 -8.649 4.991 1.00 12.22 N ATOM 651 CA ASP A 40 -12.092 -8.997 4.420 1.00 63.31 C ATOM 652 C ASP A 40 -12.729 -7.797 3.702 1.00 62.33 C ATOM 653 O ASP A 40 -13.140 -7.904 2.543 1.00 12.12 O ATOM 654 CB ASP A 40 -13.027 -9.518 5.517 1.00 53.21 C ATOM 655 CG ASP A 40 -14.407 -9.880 4.989 1.00 45.11 C ATOM 656 OD1 ASP A 40 -14.550 -10.949 4.361 1.00 11.02 O ATOM 657 OD2 ASP A 40 -15.356 -9.094 5.195 1.00 35.51 O ATOM 0 H ASP A 40 -10.725 -8.771 6.002 1.00 12.22 H new ATOM 0 HA ASP A 40 -11.936 -9.783 3.681 1.00 63.31 H new ATOM 0 HB2 ASP A 40 -12.579 -10.395 5.984 1.00 53.21 H new ATOM 0 HB3 ASP A 40 -13.127 -8.760 6.294 1.00 53.21 H new ATOM 662 N ASP A 41 -12.800 -6.657 4.389 1.00 61.41 N ATOM 663 CA ASP A 41 -13.367 -5.444 3.796 1.00 2.12 C ATOM 664 C ASP A 41 -12.492 -4.946 2.634 1.00 52.04 C ATOM 665 O ASP A 41 -13.004 -4.505 1.607 1.00 2.14 O ATOM 666 CB ASP A 41 -13.525 -4.356 4.862 1.00 2.25 C ATOM 667 CG ASP A 41 -14.240 -3.122 4.336 1.00 1.12 C ATOM 668 OD1 ASP A 41 -15.472 -3.183 4.131 1.00 34.54 O ATOM 669 OD2 ASP A 41 -13.581 -2.086 4.130 1.00 55.12 O ATOM 0 H ASP A 41 -12.475 -6.547 5.350 1.00 61.41 H new ATOM 0 HA ASP A 41 -14.353 -5.682 3.397 1.00 2.12 H new ATOM 0 HB2 ASP A 41 -14.080 -4.760 5.709 1.00 2.25 H new ATOM 0 HB3 ASP A 41 -12.541 -4.071 5.233 1.00 2.25 H new ATOM 674 N LEU A 42 -11.172 -5.042 2.807 1.00 72.30 N ATOM 675 CA LEU A 42 -10.211 -4.703 1.751 1.00 5.21 C ATOM 676 C LEU A 42 -10.517 -5.465 0.451 1.00 52.02 C ATOM 677 O LEU A 42 -10.772 -4.855 -0.591 1.00 62.43 O ATOM 678 CB LEU A 42 -8.784 -5.033 2.227 1.00 15.42 C ATOM 679 CG LEU A 42 -7.685 -4.991 1.148 1.00 21.11 C ATOM 680 CD1 LEU A 42 -7.541 -3.591 0.559 1.00 51.30 C ATOM 681 CD2 LEU A 42 -6.355 -5.483 1.718 1.00 42.42 C ATOM 0 H LEU A 42 -10.740 -5.355 3.676 1.00 72.30 H new ATOM 0 HA LEU A 42 -10.293 -3.636 1.543 1.00 5.21 H new ATOM 0 HB2 LEU A 42 -8.515 -4.333 3.018 1.00 15.42 H new ATOM 0 HB3 LEU A 42 -8.792 -6.028 2.671 1.00 15.42 H new ATOM 0 HG LEU A 42 -7.981 -5.660 0.340 1.00 21.11 H new ATOM 0 HD11 LEU A 42 -6.758 -3.594 -0.199 1.00 51.30 H new ATOM 0 HD12 LEU A 42 -8.485 -3.288 0.105 1.00 51.30 H new ATOM 0 HD13 LEU A 42 -7.277 -2.889 1.350 1.00 51.30 H new ATOM 0 HD21 LEU A 42 -5.591 -5.446 0.942 1.00 42.42 H new ATOM 0 HD22 LEU A 42 -6.058 -4.845 2.550 1.00 42.42 H new ATOM 0 HD23 LEU A 42 -6.467 -6.509 2.069 1.00 42.42 H new ATOM 693 N PHE A 43 -10.508 -6.798 0.529 1.00 31.41 N ATOM 694 CA PHE A 43 -10.768 -7.647 -0.640 1.00 42.14 C ATOM 695 C PHE A 43 -12.148 -7.358 -1.241 1.00 2.54 C ATOM 696 O PHE A 43 -12.280 -7.146 -2.444 1.00 73.13 O ATOM 697 CB PHE A 43 -10.672 -9.137 -0.266 1.00 4.34 C ATOM 698 CG PHE A 43 -9.353 -9.550 0.348 1.00 53.10 C ATOM 699 CD1 PHE A 43 -8.165 -8.927 -0.016 1.00 1.23 C ATOM 700 CD2 PHE A 43 -9.302 -10.572 1.289 1.00 54.24 C ATOM 701 CE1 PHE A 43 -6.961 -9.311 0.548 1.00 75.13 C ATOM 702 CE2 PHE A 43 -8.101 -10.957 1.854 1.00 22.51 C ATOM 703 CZ PHE A 43 -6.929 -10.328 1.482 1.00 44.11 C ATOM 0 H PHE A 43 -10.324 -7.314 1.389 1.00 31.41 H new ATOM 0 HA PHE A 43 -10.007 -7.415 -1.385 1.00 42.14 H new ATOM 0 HB2 PHE A 43 -11.473 -9.374 0.434 1.00 4.34 H new ATOM 0 HB3 PHE A 43 -10.843 -9.734 -1.162 1.00 4.34 H new ATOM 0 HD1 PHE A 43 -8.182 -8.133 -0.748 1.00 1.23 H new ATOM 0 HD2 PHE A 43 -10.213 -11.072 1.582 1.00 54.24 H new ATOM 0 HE1 PHE A 43 -6.046 -8.815 0.258 1.00 75.13 H new ATOM 0 HE2 PHE A 43 -8.079 -11.750 2.587 1.00 22.51 H new ATOM 0 HZ PHE A 43 -5.990 -10.631 1.920 1.00 44.11 H new ATOM 713 N SER A 44 -13.168 -7.333 -0.387 1.00 73.13 N ATOM 714 CA SER A 44 -14.556 -7.115 -0.826 1.00 13.32 C ATOM 715 C SER A 44 -14.723 -5.775 -1.562 1.00 74.35 C ATOM 716 O SER A 44 -15.321 -5.716 -2.638 1.00 35.21 O ATOM 717 CB SER A 44 -15.512 -7.169 0.375 1.00 24.43 C ATOM 718 OG SER A 44 -15.446 -8.426 1.040 1.00 43.23 O ATOM 0 H SER A 44 -13.065 -7.461 0.620 1.00 73.13 H new ATOM 0 HA SER A 44 -14.802 -7.914 -1.525 1.00 13.32 H new ATOM 0 HB2 SER A 44 -15.262 -6.372 1.076 1.00 24.43 H new ATOM 0 HB3 SER A 44 -16.532 -6.988 0.037 1.00 24.43 H new ATOM 0 HG SER A 44 -14.678 -8.434 1.649 1.00 43.23 H new ATOM 724 N PHE A 45 -14.187 -4.699 -0.978 1.00 72.54 N ATOM 725 CA PHE A 45 -14.282 -3.360 -1.578 1.00 4.11 C ATOM 726 C PHE A 45 -13.617 -3.299 -2.963 1.00 25.34 C ATOM 727 O PHE A 45 -14.262 -2.978 -3.966 1.00 2.15 O ATOM 728 CB PHE A 45 -13.641 -2.309 -0.656 1.00 64.24 C ATOM 729 CG PHE A 45 -13.530 -0.946 -1.294 1.00 52.12 C ATOM 730 CD1 PHE A 45 -14.643 -0.129 -1.418 1.00 13.05 C ATOM 731 CD2 PHE A 45 -12.313 -0.494 -1.790 1.00 13.14 C ATOM 732 CE1 PHE A 45 -14.545 1.109 -2.022 1.00 52.00 C ATOM 733 CE2 PHE A 45 -12.212 0.743 -2.390 1.00 24.00 C ATOM 734 CZ PHE A 45 -13.330 1.544 -2.510 1.00 20.23 C ATOM 0 H PHE A 45 -13.683 -4.726 -0.092 1.00 72.54 H new ATOM 0 HA PHE A 45 -15.343 -3.142 -1.702 1.00 4.11 H new ATOM 0 HB2 PHE A 45 -14.231 -2.228 0.257 1.00 64.24 H new ATOM 0 HB3 PHE A 45 -12.647 -2.649 -0.365 1.00 64.24 H new ATOM 0 HD1 PHE A 45 -15.597 -0.464 -1.038 1.00 13.05 H new ATOM 0 HD2 PHE A 45 -11.436 -1.119 -1.704 1.00 13.14 H new ATOM 0 HE1 PHE A 45 -15.419 1.737 -2.112 1.00 52.00 H new ATOM 0 HE2 PHE A 45 -11.259 1.085 -2.766 1.00 24.00 H new ATOM 0 HZ PHE A 45 -13.254 2.511 -2.986 1.00 20.23 H new ATOM 744 N MET A 46 -12.322 -3.602 -3.011 1.00 3.32 N ATOM 745 CA MET A 46 -11.554 -3.521 -4.258 1.00 30.05 C ATOM 746 C MET A 46 -12.119 -4.474 -5.329 1.00 44.23 C ATOM 747 O MET A 46 -12.168 -4.139 -6.515 1.00 53.42 O ATOM 748 CB MET A 46 -10.074 -3.820 -3.983 1.00 23.02 C ATOM 749 CG MET A 46 -9.814 -5.221 -3.444 1.00 62.44 C ATOM 750 SD MET A 46 -8.085 -5.504 -3.042 1.00 3.31 S ATOM 751 CE MET A 46 -7.314 -5.209 -4.635 1.00 25.23 C ATOM 0 H MET A 46 -11.779 -3.906 -2.203 1.00 3.32 H new ATOM 0 HA MET A 46 -11.640 -2.507 -4.648 1.00 30.05 H new ATOM 0 HB2 MET A 46 -9.510 -3.686 -4.906 1.00 23.02 H new ATOM 0 HB3 MET A 46 -9.693 -3.090 -3.268 1.00 23.02 H new ATOM 0 HG2 MET A 46 -10.420 -5.380 -2.552 1.00 62.44 H new ATOM 0 HG3 MET A 46 -10.135 -5.955 -4.183 1.00 62.44 H new ATOM 0 HE1 MET A 46 -6.260 -5.483 -4.585 1.00 25.23 H new ATOM 0 HE2 MET A 46 -7.810 -5.811 -5.396 1.00 25.23 H new ATOM 0 HE3 MET A 46 -7.403 -4.154 -4.892 1.00 25.23 H new ATOM 761 N GLN A 47 -12.572 -5.649 -4.896 1.00 23.45 N ATOM 762 CA GLN A 47 -13.146 -6.647 -5.800 1.00 1.22 C ATOM 763 C GLN A 47 -14.368 -6.093 -6.547 1.00 53.13 C ATOM 764 O GLN A 47 -14.428 -6.130 -7.778 1.00 20.22 O ATOM 765 CB GLN A 47 -13.539 -7.900 -5.004 1.00 23.34 C ATOM 766 CG GLN A 47 -14.106 -9.033 -5.850 1.00 52.25 C ATOM 767 CD GLN A 47 -14.465 -10.250 -5.015 1.00 20.35 C ATOM 768 OE1 GLN A 47 -14.833 -10.137 -3.849 1.00 23.50 O ATOM 769 NE2 GLN A 47 -14.360 -11.424 -5.601 1.00 3.02 N ATOM 0 H GLN A 47 -12.553 -5.936 -3.917 1.00 23.45 H new ATOM 0 HA GLN A 47 -12.392 -6.906 -6.543 1.00 1.22 H new ATOM 0 HB2 GLN A 47 -12.662 -8.266 -4.470 1.00 23.34 H new ATOM 0 HB3 GLN A 47 -14.277 -7.621 -4.252 1.00 23.34 H new ATOM 0 HG2 GLN A 47 -14.993 -8.682 -6.377 1.00 52.25 H new ATOM 0 HG3 GLN A 47 -13.377 -9.317 -6.609 1.00 52.25 H new ATOM 0 HE21 GLN A 47 -14.051 -11.484 -6.571 1.00 3.02 H new ATOM 0 HE22 GLN A 47 -14.587 -12.274 -5.085 1.00 3.02 H new ATOM 778 N LYS A 48 -15.327 -5.556 -5.796 1.00 22.01 N ATOM 779 CA LYS A 48 -16.590 -5.077 -6.370 1.00 2.24 C ATOM 780 C LYS A 48 -16.402 -3.844 -7.275 1.00 14.51 C ATOM 781 O LYS A 48 -17.211 -3.606 -8.178 1.00 71.33 O ATOM 782 CB LYS A 48 -17.596 -4.770 -5.254 1.00 11.32 C ATOM 783 CG LYS A 48 -17.962 -5.994 -4.419 1.00 61.40 C ATOM 784 CD LYS A 48 -18.971 -5.663 -3.324 1.00 52.05 C ATOM 785 CE LYS A 48 -19.291 -6.889 -2.479 1.00 41.54 C ATOM 786 NZ LYS A 48 -20.292 -6.601 -1.422 1.00 53.13 N ATOM 0 H LYS A 48 -15.256 -5.440 -4.785 1.00 22.01 H new ATOM 0 HA LYS A 48 -16.978 -5.877 -7.001 1.00 2.24 H new ATOM 0 HB2 LYS A 48 -17.180 -4.004 -4.600 1.00 11.32 H new ATOM 0 HB3 LYS A 48 -18.502 -4.355 -5.695 1.00 11.32 H new ATOM 0 HG2 LYS A 48 -18.374 -6.766 -5.069 1.00 61.40 H new ATOM 0 HG3 LYS A 48 -17.060 -6.406 -3.967 1.00 61.40 H new ATOM 0 HD2 LYS A 48 -18.574 -4.873 -2.687 1.00 52.05 H new ATOM 0 HD3 LYS A 48 -19.887 -5.279 -3.774 1.00 52.05 H new ATOM 0 HE2 LYS A 48 -19.666 -7.684 -3.124 1.00 41.54 H new ATOM 0 HE3 LYS A 48 -18.375 -7.258 -2.018 1.00 41.54 H new ATOM 0 HZ1 LYS A 48 -20.477 -7.465 -0.874 1.00 53.13 H new ATOM 0 HZ2 LYS A 48 -19.926 -5.861 -0.789 1.00 53.13 H new ATOM 0 HZ3 LYS A 48 -21.176 -6.274 -1.861 1.00 53.13 H new ATOM 800 N ARG A 49 -15.348 -3.059 -7.049 1.00 14.34 N ATOM 801 CA ARG A 49 -15.090 -1.891 -7.902 1.00 12.11 C ATOM 802 C ARG A 49 -14.294 -2.266 -9.166 1.00 1.53 C ATOM 803 O ARG A 49 -14.061 -1.419 -10.031 1.00 31.14 O ATOM 804 CB ARG A 49 -14.379 -0.768 -7.132 1.00 53.21 C ATOM 805 CG ARG A 49 -12.952 -1.090 -6.695 1.00 2.52 C ATOM 806 CD ARG A 49 -12.210 0.171 -6.257 1.00 32.34 C ATOM 807 NE ARG A 49 -12.144 1.155 -7.339 1.00 12.32 N ATOM 808 CZ ARG A 49 -11.750 2.393 -7.202 1.00 12.30 C ATOM 809 NH1 ARG A 49 -11.380 2.852 -6.049 1.00 52.40 N ATOM 810 NH2 ARG A 49 -11.738 3.178 -8.232 1.00 2.41 N ATOM 0 H ARG A 49 -14.670 -3.203 -6.300 1.00 14.34 H new ATOM 0 HA ARG A 49 -16.064 -1.519 -8.218 1.00 12.11 H new ATOM 0 HB2 ARG A 49 -14.359 0.125 -7.757 1.00 53.21 H new ATOM 0 HB3 ARG A 49 -14.968 -0.525 -6.248 1.00 53.21 H new ATOM 0 HG2 ARG A 49 -12.973 -1.806 -5.874 1.00 2.52 H new ATOM 0 HG3 ARG A 49 -12.415 -1.564 -7.517 1.00 2.52 H new ATOM 0 HD2 ARG A 49 -12.712 0.609 -5.395 1.00 32.34 H new ATOM 0 HD3 ARG A 49 -11.201 -0.091 -5.939 1.00 32.34 H new ATOM 0 HE ARG A 49 -12.427 0.851 -8.271 1.00 12.32 H new ATOM 0 HH11 ARG A 49 -11.393 2.244 -5.230 1.00 52.40 H new ATOM 0 HH12 ARG A 49 -11.075 3.821 -5.960 1.00 52.40 H new ATOM 0 HH21 ARG A 49 -12.035 2.829 -9.143 1.00 2.41 H new ATOM 0 HH22 ARG A 49 -11.432 4.146 -8.132 1.00 2.41 H new ATOM 824 N GLY A 50 -13.888 -3.533 -9.280 1.00 61.04 N ATOM 825 CA GLY A 50 -13.220 -4.003 -10.496 1.00 2.13 C ATOM 826 C GLY A 50 -11.720 -4.253 -10.344 1.00 23.13 C ATOM 827 O GLY A 50 -10.957 -4.065 -11.292 1.00 50.12 O ATOM 0 H GLY A 50 -14.008 -4.242 -8.557 1.00 61.04 H new ATOM 0 HA2 GLY A 50 -13.697 -4.927 -10.823 1.00 2.13 H new ATOM 0 HA3 GLY A 50 -13.374 -3.268 -11.286 1.00 2.13 H new ATOM 831 N THR A 51 -11.289 -4.675 -9.157 1.00 51.25 N ATOM 832 CA THR A 51 -9.883 -5.060 -8.936 1.00 10.40 C ATOM 833 C THR A 51 -9.719 -5.905 -7.661 1.00 21.52 C ATOM 834 O THR A 51 -9.512 -5.377 -6.575 1.00 14.22 O ATOM 835 CB THR A 51 -8.931 -3.830 -8.872 1.00 34.52 C ATOM 836 OG1 THR A 51 -7.606 -4.246 -8.493 1.00 5.24 O ATOM 837 CG2 THR A 51 -9.440 -2.768 -7.897 1.00 5.33 C ATOM 0 H THR A 51 -11.884 -4.761 -8.333 1.00 51.25 H new ATOM 0 HA THR A 51 -9.601 -5.662 -9.800 1.00 10.40 H new ATOM 0 HB THR A 51 -8.903 -3.385 -9.867 1.00 34.52 H new ATOM 0 HG1 THR A 51 -7.015 -3.465 -8.457 1.00 5.24 H new ATOM 0 HG21 THR A 51 -8.747 -1.926 -7.882 1.00 5.33 H new ATOM 0 HG22 THR A 51 -10.424 -2.423 -8.216 1.00 5.33 H new ATOM 0 HG23 THR A 51 -9.512 -3.197 -6.897 1.00 5.33 H new ATOM 845 N PRO A 52 -9.840 -7.241 -7.770 1.00 3.24 N ATOM 846 CA PRO A 52 -9.682 -8.147 -6.624 1.00 71.14 C ATOM 847 C PRO A 52 -8.225 -8.592 -6.391 1.00 3.51 C ATOM 848 O PRO A 52 -7.381 -8.490 -7.284 1.00 2.43 O ATOM 849 CB PRO A 52 -10.542 -9.339 -7.047 1.00 31.15 C ATOM 850 CG PRO A 52 -10.386 -9.402 -8.535 1.00 1.14 C ATOM 851 CD PRO A 52 -10.163 -7.980 -9.009 1.00 14.34 C ATOM 0 HA PRO A 52 -9.969 -7.678 -5.683 1.00 71.14 H new ATOM 0 HB2 PRO A 52 -10.204 -10.261 -6.573 1.00 31.15 H new ATOM 0 HB3 PRO A 52 -11.585 -9.197 -6.762 1.00 31.15 H new ATOM 0 HG2 PRO A 52 -9.544 -10.038 -8.809 1.00 1.14 H new ATOM 0 HG3 PRO A 52 -11.274 -9.830 -9.000 1.00 1.14 H new ATOM 0 HD2 PRO A 52 -9.350 -7.923 -9.732 1.00 14.34 H new ATOM 0 HD3 PRO A 52 -11.051 -7.577 -9.495 1.00 14.34 H new ATOM 859 N VAL A 53 -7.933 -9.083 -5.184 1.00 63.13 N ATOM 860 CA VAL A 53 -6.628 -9.689 -4.896 1.00 63.43 C ATOM 861 C VAL A 53 -6.620 -11.164 -5.327 1.00 32.33 C ATOM 862 O VAL A 53 -6.989 -12.053 -4.557 1.00 55.12 O ATOM 863 CB VAL A 53 -6.250 -9.589 -3.390 1.00 32.24 C ATOM 864 CG1 VAL A 53 -4.877 -10.214 -3.127 1.00 20.33 C ATOM 865 CG2 VAL A 53 -6.283 -8.137 -2.920 1.00 71.32 C ATOM 0 H VAL A 53 -8.578 -9.074 -4.394 1.00 63.13 H new ATOM 0 HA VAL A 53 -5.885 -9.130 -5.465 1.00 63.43 H new ATOM 0 HB VAL A 53 -6.990 -10.149 -2.818 1.00 32.24 H new ATOM 0 HG11 VAL A 53 -4.636 -10.131 -2.067 1.00 20.33 H new ATOM 0 HG12 VAL A 53 -4.895 -11.265 -3.414 1.00 20.33 H new ATOM 0 HG13 VAL A 53 -4.121 -9.691 -3.713 1.00 20.33 H new ATOM 0 HG21 VAL A 53 -6.016 -8.090 -1.864 1.00 71.32 H new ATOM 0 HG22 VAL A 53 -5.571 -7.550 -3.501 1.00 71.32 H new ATOM 0 HG23 VAL A 53 -7.286 -7.732 -3.059 1.00 71.32 H new ATOM 875 N ASN A 54 -6.237 -11.406 -6.578 1.00 51.22 N ATOM 876 CA ASN A 54 -6.182 -12.767 -7.123 1.00 53.04 C ATOM 877 C ASN A 54 -5.203 -13.646 -6.327 1.00 51.53 C ATOM 878 O ASN A 54 -5.588 -14.664 -5.752 1.00 20.53 O ATOM 879 CB ASN A 54 -5.771 -12.717 -8.600 1.00 2.40 C ATOM 880 CG ASN A 54 -5.781 -14.080 -9.272 1.00 24.40 C ATOM 881 OD1 ASN A 54 -6.709 -14.937 -8.887 1.00 60.43 O flip ATOM 882 ND2 ASN A 54 -4.969 -14.356 -10.151 1.00 12.01 N flip ATOM 0 H ASN A 54 -5.959 -10.679 -7.237 1.00 51.22 H new ATOM 0 HA ASN A 54 -7.174 -13.212 -7.039 1.00 53.04 H new ATOM 0 HB2 ASN A 54 -6.447 -12.050 -9.136 1.00 2.40 H new ATOM 0 HB3 ASN A 54 -4.772 -12.288 -8.678 1.00 2.40 H new ATOM 0 HD21 ASN A 54 -4.264 -13.673 -10.427 1.00 12.01 H new ATOM 0 HD22 ASN A 54 -5.000 -15.269 -10.605 1.00 12.01 H new ATOM 889 N ARG A 55 -3.936 -13.240 -6.300 1.00 75.14 N ATOM 890 CA ARG A 55 -2.898 -13.955 -5.550 1.00 2.32 C ATOM 891 C ARG A 55 -2.018 -12.978 -4.757 1.00 24.43 C ATOM 892 O ARG A 55 -2.017 -11.769 -5.009 1.00 15.01 O ATOM 893 CB ARG A 55 -2.040 -14.807 -6.497 1.00 74.01 C ATOM 894 CG ARG A 55 -2.785 -16.003 -7.087 1.00 54.23 C ATOM 895 CD ARG A 55 -1.947 -16.741 -8.125 1.00 64.30 C ATOM 896 NE ARG A 55 -1.655 -15.896 -9.280 1.00 43.25 N ATOM 897 CZ ARG A 55 -1.265 -16.342 -10.441 1.00 45.11 C ATOM 898 NH1 ARG A 55 -1.091 -17.608 -10.644 1.00 51.31 N ATOM 899 NH2 ARG A 55 -1.059 -15.510 -11.406 1.00 71.24 N ATOM 0 H ARG A 55 -3.598 -12.413 -6.792 1.00 75.14 H new ATOM 0 HA ARG A 55 -3.391 -14.617 -4.838 1.00 2.32 H new ATOM 0 HB2 ARG A 55 -1.677 -14.178 -7.310 1.00 74.01 H new ATOM 0 HB3 ARG A 55 -1.164 -15.166 -5.957 1.00 74.01 H new ATOM 0 HG2 ARG A 55 -3.059 -16.690 -6.287 1.00 54.23 H new ATOM 0 HG3 ARG A 55 -3.713 -15.662 -7.546 1.00 54.23 H new ATOM 0 HD2 ARG A 55 -1.013 -17.072 -7.671 1.00 64.30 H new ATOM 0 HD3 ARG A 55 -2.477 -17.635 -8.452 1.00 64.30 H new ATOM 0 HE ARG A 55 -1.764 -14.888 -9.171 1.00 43.25 H new ATOM 0 HH11 ARG A 55 -1.259 -18.273 -9.889 1.00 51.31 H new ATOM 0 HH12 ARG A 55 -0.785 -17.941 -11.559 1.00 51.31 H new ATOM 0 HH21 ARG A 55 -1.201 -14.511 -11.257 1.00 71.24 H new ATOM 0 HH22 ARG A 55 -0.754 -15.851 -12.317 1.00 71.24 H new ATOM 913 N ILE A 56 -1.270 -13.514 -3.798 1.00 32.14 N ATOM 914 CA ILE A 56 -0.467 -12.695 -2.884 1.00 2.23 C ATOM 915 C ILE A 56 0.991 -12.566 -3.366 1.00 44.42 C ATOM 916 O ILE A 56 1.632 -13.563 -3.703 1.00 32.22 O ATOM 917 CB ILE A 56 -0.499 -13.304 -1.460 1.00 53.15 C ATOM 918 CG1 ILE A 56 -1.960 -13.492 -1.011 1.00 42.44 C ATOM 919 CG2 ILE A 56 0.268 -12.426 -0.467 1.00 10.11 C ATOM 920 CD1 ILE A 56 -2.108 -14.221 0.307 1.00 23.32 C ATOM 0 H ILE A 56 -1.200 -14.518 -3.630 1.00 32.14 H new ATOM 0 HA ILE A 56 -0.902 -11.696 -2.865 1.00 2.23 H new ATOM 0 HB ILE A 56 -0.007 -14.276 -1.484 1.00 53.15 H new ATOM 0 HG12 ILE A 56 -2.433 -12.514 -0.929 1.00 42.44 H new ATOM 0 HG13 ILE A 56 -2.499 -14.043 -1.782 1.00 42.44 H new ATOM 0 HG21 ILE A 56 0.229 -12.878 0.524 1.00 10.11 H new ATOM 0 HG22 ILE A 56 1.307 -12.339 -0.785 1.00 10.11 H new ATOM 0 HG23 ILE A 56 -0.185 -11.435 -0.432 1.00 10.11 H new ATOM 0 HD11 ILE A 56 -3.165 -14.314 0.555 1.00 23.32 H new ATOM 0 HD12 ILE A 56 -1.666 -15.214 0.225 1.00 23.32 H new ATOM 0 HD13 ILE A 56 -1.599 -13.661 1.092 1.00 23.32 H new ATOM 932 N PRO A 57 1.535 -11.330 -3.404 1.00 72.55 N ATOM 933 CA PRO A 57 2.913 -11.084 -3.863 1.00 11.05 C ATOM 934 C PRO A 57 3.984 -11.526 -2.850 1.00 52.02 C ATOM 935 O PRO A 57 3.885 -11.244 -1.652 1.00 40.15 O ATOM 936 CB PRO A 57 2.949 -9.565 -4.056 1.00 44.33 C ATOM 937 CG PRO A 57 1.946 -9.042 -3.082 1.00 44.32 C ATOM 938 CD PRO A 57 0.855 -10.078 -3.011 1.00 50.24 C ATOM 0 HA PRO A 57 3.143 -11.656 -4.762 1.00 11.05 H new ATOM 0 HB2 PRO A 57 3.942 -9.163 -3.858 1.00 44.33 H new ATOM 0 HB3 PRO A 57 2.692 -9.288 -5.078 1.00 44.33 H new ATOM 0 HG2 PRO A 57 2.399 -8.885 -2.103 1.00 44.32 H new ATOM 0 HG3 PRO A 57 1.550 -8.080 -3.408 1.00 44.32 H new ATOM 0 HD2 PRO A 57 0.434 -10.149 -2.008 1.00 50.24 H new ATOM 0 HD3 PRO A 57 0.032 -9.840 -3.686 1.00 50.24 H new ATOM 946 N ILE A 58 5.015 -12.207 -3.346 1.00 4.21 N ATOM 947 CA ILE A 58 6.123 -12.673 -2.506 1.00 62.22 C ATOM 948 C ILE A 58 7.370 -11.782 -2.676 1.00 10.02 C ATOM 949 O ILE A 58 7.851 -11.566 -3.793 1.00 12.01 O ATOM 950 CB ILE A 58 6.491 -14.145 -2.839 1.00 13.54 C ATOM 951 CG1 ILE A 58 5.269 -15.065 -2.656 1.00 45.13 C ATOM 952 CG2 ILE A 58 7.662 -14.627 -1.980 1.00 40.21 C ATOM 953 CD1 ILE A 58 4.729 -15.111 -1.240 1.00 45.02 C ATOM 0 H ILE A 58 5.109 -12.451 -4.332 1.00 4.21 H new ATOM 0 HA ILE A 58 5.788 -12.613 -1.470 1.00 62.22 H new ATOM 0 HB ILE A 58 6.800 -14.186 -3.883 1.00 13.54 H new ATOM 0 HG12 ILE A 58 4.475 -14.732 -3.325 1.00 45.13 H new ATOM 0 HG13 ILE A 58 5.541 -16.075 -2.962 1.00 45.13 H new ATOM 0 HG21 ILE A 58 7.898 -15.660 -2.234 1.00 40.21 H new ATOM 0 HG22 ILE A 58 8.533 -13.999 -2.167 1.00 40.21 H new ATOM 0 HG23 ILE A 58 7.390 -14.566 -0.926 1.00 40.21 H new ATOM 0 HD11 ILE A 58 3.870 -15.781 -1.200 1.00 45.02 H new ATOM 0 HD12 ILE A 58 5.505 -15.474 -0.566 1.00 45.02 H new ATOM 0 HD13 ILE A 58 4.423 -14.110 -0.935 1.00 45.02 H new ATOM 965 N MET A 59 7.881 -11.263 -1.562 1.00 14.51 N ATOM 966 CA MET A 59 9.093 -10.432 -1.556 1.00 34.14 C ATOM 967 C MET A 59 10.206 -11.090 -0.723 1.00 20.13 C ATOM 968 O MET A 59 9.982 -11.461 0.425 1.00 21.44 O ATOM 969 CB MET A 59 8.769 -9.043 -0.982 1.00 65.04 C ATOM 970 CG MET A 59 9.997 -8.159 -0.783 1.00 30.43 C ATOM 971 SD MET A 59 10.878 -7.833 -2.323 1.00 53.04 S ATOM 972 CE MET A 59 9.684 -6.816 -3.186 1.00 13.34 C ATOM 0 H MET A 59 7.472 -11.403 -0.638 1.00 14.51 H new ATOM 0 HA MET A 59 9.445 -10.331 -2.583 1.00 34.14 H new ATOM 0 HB2 MET A 59 8.073 -8.537 -1.651 1.00 65.04 H new ATOM 0 HB3 MET A 59 8.261 -9.165 -0.025 1.00 65.04 H new ATOM 0 HG2 MET A 59 9.690 -7.213 -0.338 1.00 30.43 H new ATOM 0 HG3 MET A 59 10.674 -8.639 -0.076 1.00 30.43 H new ATOM 0 HE1 MET A 59 10.165 -6.331 -4.035 1.00 13.34 H new ATOM 0 HE2 MET A 59 8.864 -7.440 -3.542 1.00 13.34 H new ATOM 0 HE3 MET A 59 9.294 -6.057 -2.507 1.00 13.34 H new ATOM 982 N ALA A 60 11.399 -11.232 -1.308 1.00 42.34 N ATOM 983 CA ALA A 60 12.554 -11.824 -0.604 1.00 30.12 C ATOM 984 C ALA A 60 12.247 -13.241 -0.076 1.00 33.14 C ATOM 985 O ALA A 60 12.641 -13.602 1.035 1.00 52.31 O ATOM 986 CB ALA A 60 13.001 -10.906 0.536 1.00 31.32 C ATOM 0 H ALA A 60 11.596 -10.947 -2.267 1.00 42.34 H new ATOM 0 HA ALA A 60 13.367 -11.921 -1.324 1.00 30.12 H new ATOM 0 HB1 ALA A 60 13.853 -11.352 1.049 1.00 31.32 H new ATOM 0 HB2 ALA A 60 13.288 -9.936 0.131 1.00 31.32 H new ATOM 0 HB3 ALA A 60 12.180 -10.776 1.242 1.00 31.32 H new ATOM 992 N LYS A 61 11.570 -14.046 -0.908 1.00 31.20 N ATOM 993 CA LYS A 61 11.143 -15.415 -0.545 1.00 55.13 C ATOM 994 C LYS A 61 10.132 -15.399 0.627 1.00 24.40 C ATOM 995 O LYS A 61 9.836 -16.438 1.219 1.00 33.21 O ATOM 996 CB LYS A 61 12.349 -16.307 -0.175 1.00 33.21 C ATOM 997 CG LYS A 61 13.627 -16.054 -0.980 1.00 40.32 C ATOM 998 CD LYS A 61 13.467 -16.377 -2.461 1.00 42.04 C ATOM 999 CE LYS A 61 14.792 -16.236 -3.209 1.00 44.42 C ATOM 1000 NZ LYS A 61 14.641 -16.495 -4.665 1.00 64.22 N ATOM 0 H LYS A 61 11.301 -13.771 -1.853 1.00 31.20 H new ATOM 0 HA LYS A 61 10.656 -15.835 -1.425 1.00 55.13 H new ATOM 0 HB2 LYS A 61 12.572 -16.166 0.882 1.00 33.21 H new ATOM 0 HB3 LYS A 61 12.060 -17.350 -0.303 1.00 33.21 H new ATOM 0 HG2 LYS A 61 13.919 -15.010 -0.870 1.00 40.32 H new ATOM 0 HG3 LYS A 61 14.436 -16.656 -0.567 1.00 40.32 H new ATOM 0 HD2 LYS A 61 13.090 -17.393 -2.575 1.00 42.04 H new ATOM 0 HD3 LYS A 61 12.726 -15.711 -2.902 1.00 42.04 H new ATOM 0 HE2 LYS A 61 15.188 -15.232 -3.059 1.00 44.42 H new ATOM 0 HE3 LYS A 61 15.520 -16.931 -2.791 1.00 44.42 H new ATOM 0 HZ1 LYS A 61 15.556 -16.356 -5.139 1.00 64.22 H new ATOM 0 HZ2 LYS A 61 14.320 -17.473 -4.812 1.00 64.22 H new ATOM 0 HZ3 LYS A 61 13.941 -15.837 -5.064 1.00 64.22 H new ATOM 1014 N GLN A 62 9.601 -14.216 0.939 1.00 13.45 N ATOM 1015 CA GLN A 62 8.674 -14.022 2.067 1.00 51.22 C ATOM 1016 C GLN A 62 7.336 -13.425 1.595 1.00 30.01 C ATOM 1017 O GLN A 62 7.293 -12.663 0.632 1.00 31.51 O ATOM 1018 CB GLN A 62 9.331 -13.096 3.112 1.00 14.20 C ATOM 1019 CG GLN A 62 8.380 -12.512 4.166 1.00 44.12 C ATOM 1020 CD GLN A 62 7.799 -13.543 5.128 1.00 24.44 C ATOM 1021 OE1 GLN A 62 7.600 -14.704 4.788 1.00 12.14 O ATOM 1022 NE2 GLN A 62 7.512 -13.117 6.340 1.00 72.12 N ATOM 0 H GLN A 62 9.799 -13.361 0.419 1.00 13.45 H new ATOM 0 HA GLN A 62 8.463 -14.993 2.515 1.00 51.22 H new ATOM 0 HB2 GLN A 62 10.115 -13.653 3.624 1.00 14.20 H new ATOM 0 HB3 GLN A 62 9.816 -12.272 2.588 1.00 14.20 H new ATOM 0 HG2 GLN A 62 8.915 -11.756 4.741 1.00 44.12 H new ATOM 0 HG3 GLN A 62 7.560 -12.005 3.657 1.00 44.12 H new ATOM 0 HE21 GLN A 62 7.689 -12.145 6.594 1.00 72.12 H new ATOM 0 HE22 GLN A 62 7.113 -13.759 7.025 1.00 72.12 H new ATOM 1031 N VAL A 63 6.244 -13.781 2.270 1.00 25.03 N ATOM 1032 CA VAL A 63 4.931 -13.200 1.968 1.00 51.13 C ATOM 1033 C VAL A 63 4.880 -11.713 2.381 1.00 54.24 C ATOM 1034 O VAL A 63 5.451 -11.321 3.398 1.00 61.21 O ATOM 1035 CB VAL A 63 3.795 -13.986 2.674 1.00 12.20 C ATOM 1036 CG1 VAL A 63 3.890 -13.850 4.190 1.00 32.12 C ATOM 1037 CG2 VAL A 63 2.423 -13.539 2.171 1.00 62.13 C ATOM 0 H VAL A 63 6.239 -14.465 3.026 1.00 25.03 H new ATOM 0 HA VAL A 63 4.781 -13.270 0.891 1.00 51.13 H new ATOM 0 HB VAL A 63 3.918 -15.040 2.425 1.00 12.20 H new ATOM 0 HG11 VAL A 63 3.081 -14.411 4.657 1.00 32.12 H new ATOM 0 HG12 VAL A 63 4.848 -14.242 4.531 1.00 32.12 H new ATOM 0 HG13 VAL A 63 3.809 -12.799 4.467 1.00 32.12 H new ATOM 0 HG21 VAL A 63 1.645 -14.106 2.683 1.00 62.13 H new ATOM 0 HG22 VAL A 63 2.290 -12.476 2.374 1.00 62.13 H new ATOM 0 HG23 VAL A 63 2.354 -13.715 1.098 1.00 62.13 H new ATOM 1047 N LEU A 64 4.211 -10.886 1.580 1.00 21.43 N ATOM 1048 CA LEU A 64 4.158 -9.439 1.836 1.00 32.33 C ATOM 1049 C LEU A 64 3.048 -9.064 2.835 1.00 14.02 C ATOM 1050 O LEU A 64 1.859 -9.262 2.566 1.00 4.22 O ATOM 1051 CB LEU A 64 3.947 -8.684 0.514 1.00 4.34 C ATOM 1052 CG LEU A 64 4.020 -7.151 0.613 1.00 25.13 C ATOM 1053 CD1 LEU A 64 5.394 -6.708 1.105 1.00 41.25 C ATOM 1054 CD2 LEU A 64 3.699 -6.502 -0.732 1.00 15.21 C ATOM 0 H LEU A 64 3.699 -11.186 0.751 1.00 21.43 H new ATOM 0 HA LEU A 64 5.110 -9.150 2.282 1.00 32.33 H new ATOM 0 HB2 LEU A 64 4.697 -9.021 -0.202 1.00 4.34 H new ATOM 0 HB3 LEU A 64 2.973 -8.959 0.109 1.00 4.34 H new ATOM 0 HG LEU A 64 3.273 -6.824 1.336 1.00 25.13 H new ATOM 0 HD11 LEU A 64 5.425 -5.620 1.168 1.00 41.25 H new ATOM 0 HD12 LEU A 64 5.582 -7.134 2.090 1.00 41.25 H new ATOM 0 HD13 LEU A 64 6.158 -7.053 0.409 1.00 41.25 H new ATOM 0 HD21 LEU A 64 3.757 -5.418 -0.636 1.00 15.21 H new ATOM 0 HD22 LEU A 64 4.417 -6.839 -1.479 1.00 15.21 H new ATOM 0 HD23 LEU A 64 2.693 -6.785 -1.042 1.00 15.21 H new ATOM 1066 N ASP A 65 3.444 -8.516 3.988 1.00 1.44 N ATOM 1067 CA ASP A 65 2.490 -8.026 4.989 1.00 24.12 C ATOM 1068 C ASP A 65 1.662 -6.839 4.459 1.00 52.15 C ATOM 1069 O ASP A 65 1.999 -5.681 4.694 1.00 2.11 O ATOM 1070 CB ASP A 65 3.222 -7.604 6.272 1.00 3.12 C ATOM 1071 CG ASP A 65 3.905 -8.761 6.975 1.00 25.12 C ATOM 1072 OD1 ASP A 65 4.996 -9.170 6.530 1.00 41.21 O ATOM 1073 OD2 ASP A 65 3.354 -9.249 7.986 1.00 42.03 O ATOM 0 H ASP A 65 4.422 -8.400 4.252 1.00 1.44 H new ATOM 0 HA ASP A 65 1.809 -8.848 5.210 1.00 24.12 H new ATOM 0 HB2 ASP A 65 3.966 -6.846 6.026 1.00 3.12 H new ATOM 0 HB3 ASP A 65 2.509 -7.142 6.955 1.00 3.12 H new ATOM 1078 N LEU A 66 0.584 -7.137 3.731 1.00 64.34 N ATOM 1079 CA LEU A 66 -0.308 -6.093 3.196 1.00 63.35 C ATOM 1080 C LEU A 66 -0.913 -5.228 4.317 1.00 31.24 C ATOM 1081 O LEU A 66 -1.046 -4.012 4.172 1.00 4.40 O ATOM 1082 CB LEU A 66 -1.431 -6.726 2.358 1.00 71.45 C ATOM 1083 CG LEU A 66 -0.966 -7.526 1.126 1.00 71.30 C ATOM 1084 CD1 LEU A 66 -2.164 -8.116 0.387 1.00 23.35 C ATOM 1085 CD2 LEU A 66 -0.131 -6.649 0.191 1.00 52.23 C ATOM 0 H LEU A 66 0.303 -8.089 3.496 1.00 64.34 H new ATOM 0 HA LEU A 66 0.295 -5.444 2.561 1.00 63.35 H new ATOM 0 HB2 LEU A 66 -2.012 -7.387 3.001 1.00 71.45 H new ATOM 0 HB3 LEU A 66 -2.102 -5.935 2.024 1.00 71.45 H new ATOM 0 HG LEU A 66 -0.337 -8.347 1.470 1.00 71.30 H new ATOM 0 HD11 LEU A 66 -1.816 -8.677 -0.480 1.00 23.35 H new ATOM 0 HD12 LEU A 66 -2.712 -8.781 1.054 1.00 23.35 H new ATOM 0 HD13 LEU A 66 -2.821 -7.311 0.058 1.00 23.35 H new ATOM 0 HD21 LEU A 66 0.186 -7.235 -0.671 1.00 52.23 H new ATOM 0 HD22 LEU A 66 -0.730 -5.803 -0.146 1.00 52.23 H new ATOM 0 HD23 LEU A 66 0.747 -6.283 0.723 1.00 52.23 H new ATOM 1097 N PHE A 67 -1.269 -5.861 5.436 1.00 51.24 N ATOM 1098 CA PHE A 67 -1.834 -5.144 6.592 1.00 61.42 C ATOM 1099 C PHE A 67 -0.843 -4.100 7.139 1.00 1.04 C ATOM 1100 O PHE A 67 -1.181 -2.924 7.307 1.00 42.44 O ATOM 1101 CB PHE A 67 -2.209 -6.151 7.696 1.00 22.24 C ATOM 1102 CG PHE A 67 -2.781 -5.524 8.948 1.00 60.35 C ATOM 1103 CD1 PHE A 67 -4.139 -5.262 9.053 1.00 54.13 C ATOM 1104 CD2 PHE A 67 -1.961 -5.204 10.022 1.00 74.55 C ATOM 1105 CE1 PHE A 67 -4.666 -4.697 10.200 1.00 42.43 C ATOM 1106 CE2 PHE A 67 -2.482 -4.637 11.169 1.00 23.32 C ATOM 1107 CZ PHE A 67 -3.836 -4.381 11.257 1.00 21.00 C ATOM 0 H PHE A 67 -1.178 -6.868 5.571 1.00 51.24 H new ATOM 0 HA PHE A 67 -2.729 -4.616 6.264 1.00 61.42 H new ATOM 0 HB2 PHE A 67 -2.935 -6.858 7.294 1.00 22.24 H new ATOM 0 HB3 PHE A 67 -1.321 -6.724 7.965 1.00 22.24 H new ATOM 0 HD1 PHE A 67 -4.793 -5.502 8.228 1.00 54.13 H new ATOM 0 HD2 PHE A 67 -0.901 -5.401 9.960 1.00 74.55 H new ATOM 0 HE1 PHE A 67 -5.726 -4.503 10.269 1.00 42.43 H new ATOM 0 HE2 PHE A 67 -1.831 -4.394 11.996 1.00 23.32 H new ATOM 0 HZ PHE A 67 -4.245 -3.934 12.151 1.00 21.00 H new ATOM 1117 N MET A 68 0.392 -4.533 7.390 1.00 4.13 N ATOM 1118 CA MET A 68 1.432 -3.642 7.914 1.00 74.13 C ATOM 1119 C MET A 68 1.831 -2.598 6.859 1.00 53.02 C ATOM 1120 O MET A 68 2.086 -1.437 7.182 1.00 32.44 O ATOM 1121 CB MET A 68 2.661 -4.460 8.346 1.00 73.33 C ATOM 1122 CG MET A 68 2.333 -5.604 9.299 1.00 33.22 C ATOM 1123 SD MET A 68 1.419 -5.068 10.760 1.00 14.21 S ATOM 1124 CE MET A 68 2.607 -3.967 11.528 1.00 4.34 C ATOM 0 H MET A 68 0.699 -5.494 7.240 1.00 4.13 H new ATOM 0 HA MET A 68 1.034 -3.118 8.783 1.00 74.13 H new ATOM 0 HB2 MET A 68 3.146 -4.866 7.458 1.00 73.33 H new ATOM 0 HB3 MET A 68 3.379 -3.794 8.825 1.00 73.33 H new ATOM 0 HG2 MET A 68 1.749 -6.355 8.768 1.00 33.22 H new ATOM 0 HG3 MET A 68 3.260 -6.084 9.613 1.00 33.22 H new ATOM 0 HE1 MET A 68 2.270 -3.711 12.532 1.00 4.34 H new ATOM 0 HE2 MET A 68 3.577 -4.461 11.586 1.00 4.34 H new ATOM 0 HE3 MET A 68 2.698 -3.058 10.933 1.00 4.34 H new ATOM 1134 N LEU A 69 1.863 -3.024 5.596 1.00 34.45 N ATOM 1135 CA LEU A 69 2.172 -2.136 4.471 1.00 51.33 C ATOM 1136 C LEU A 69 1.248 -0.907 4.471 1.00 31.03 C ATOM 1137 O LEU A 69 1.706 0.229 4.349 1.00 22.42 O ATOM 1138 CB LEU A 69 2.026 -2.907 3.149 1.00 51.44 C ATOM 1139 CG LEU A 69 2.465 -2.153 1.882 1.00 43.24 C ATOM 1140 CD1 LEU A 69 3.962 -1.857 1.923 1.00 61.55 C ATOM 1141 CD2 LEU A 69 2.102 -2.948 0.627 1.00 10.34 C ATOM 0 H LEU A 69 1.677 -3.989 5.323 1.00 34.45 H new ATOM 0 HA LEU A 69 3.199 -1.787 4.576 1.00 51.33 H new ATOM 0 HB2 LEU A 69 2.606 -3.827 3.221 1.00 51.44 H new ATOM 0 HB3 LEU A 69 0.982 -3.197 3.033 1.00 51.44 H new ATOM 0 HG LEU A 69 1.932 -1.203 1.847 1.00 43.24 H new ATOM 0 HD11 LEU A 69 4.252 -1.323 1.018 1.00 61.55 H new ATOM 0 HD12 LEU A 69 4.188 -1.243 2.795 1.00 61.55 H new ATOM 0 HD13 LEU A 69 4.516 -2.793 1.986 1.00 61.55 H new ATOM 0 HD21 LEU A 69 2.421 -2.397 -0.258 1.00 10.34 H new ATOM 0 HD22 LEU A 69 2.603 -3.916 0.652 1.00 10.34 H new ATOM 0 HD23 LEU A 69 1.023 -3.098 0.591 1.00 10.34 H new ATOM 1153 N TYR A 70 -0.053 -1.148 4.625 1.00 24.12 N ATOM 1154 CA TYR A 70 -1.042 -0.065 4.673 1.00 35.44 C ATOM 1155 C TYR A 70 -0.763 0.901 5.835 1.00 13.42 C ATOM 1156 O TYR A 70 -0.703 2.116 5.643 1.00 64.31 O ATOM 1157 CB TYR A 70 -2.458 -0.645 4.801 1.00 13.34 C ATOM 1158 CG TYR A 70 -3.561 0.403 4.811 1.00 54.15 C ATOM 1159 CD1 TYR A 70 -3.985 1.008 3.632 1.00 73.34 C ATOM 1160 CD2 TYR A 70 -4.180 0.781 6.000 1.00 51.34 C ATOM 1161 CE1 TYR A 70 -4.994 1.954 3.637 1.00 51.03 C ATOM 1162 CE2 TYR A 70 -5.189 1.727 6.012 1.00 35.31 C ATOM 1163 CZ TYR A 70 -5.592 2.312 4.828 1.00 30.43 C ATOM 1164 OH TYR A 70 -6.601 3.251 4.835 1.00 23.32 O ATOM 0 H TYR A 70 -0.450 -2.083 4.719 1.00 24.12 H new ATOM 0 HA TYR A 70 -0.965 0.497 3.742 1.00 35.44 H new ATOM 0 HB2 TYR A 70 -2.633 -1.333 3.974 1.00 13.34 H new ATOM 0 HB3 TYR A 70 -2.518 -1.229 5.720 1.00 13.34 H new ATOM 0 HD1 TYR A 70 -3.518 0.734 2.697 1.00 73.34 H new ATOM 0 HD2 TYR A 70 -3.867 0.328 6.929 1.00 51.34 H new ATOM 0 HE1 TYR A 70 -5.313 2.411 2.712 1.00 51.03 H new ATOM 0 HE2 TYR A 70 -5.659 2.007 6.943 1.00 35.31 H new ATOM 0 HH TYR A 70 -6.914 3.388 5.753 1.00 23.32 H new ATOM 1174 N VAL A 71 -0.585 0.353 7.039 1.00 72.12 N ATOM 1175 CA VAL A 71 -0.327 1.171 8.235 1.00 64.15 C ATOM 1176 C VAL A 71 0.898 2.088 8.051 1.00 71.02 C ATOM 1177 O VAL A 71 0.807 3.304 8.226 1.00 5.53 O ATOM 1178 CB VAL A 71 -0.114 0.283 9.489 1.00 44.23 C ATOM 1179 CG1 VAL A 71 0.149 1.137 10.731 1.00 32.05 C ATOM 1180 CG2 VAL A 71 -1.314 -0.640 9.706 1.00 62.12 C ATOM 0 H VAL A 71 -0.614 -0.651 7.216 1.00 72.12 H new ATOM 0 HA VAL A 71 -1.210 1.793 8.379 1.00 64.15 H new ATOM 0 HB VAL A 71 0.767 -0.336 9.318 1.00 44.23 H new ATOM 0 HG11 VAL A 71 0.295 0.488 11.595 1.00 32.05 H new ATOM 0 HG12 VAL A 71 1.044 1.740 10.575 1.00 32.05 H new ATOM 0 HG13 VAL A 71 -0.704 1.792 10.909 1.00 32.05 H new ATOM 0 HG21 VAL A 71 -1.145 -1.255 10.590 1.00 62.12 H new ATOM 0 HG22 VAL A 71 -2.213 -0.040 9.847 1.00 62.12 H new ATOM 0 HG23 VAL A 71 -1.440 -1.284 8.835 1.00 62.12 H new ATOM 1190 N LEU A 72 2.032 1.497 7.681 1.00 32.01 N ATOM 1191 CA LEU A 72 3.286 2.250 7.525 1.00 52.45 C ATOM 1192 C LEU A 72 3.195 3.333 6.431 1.00 74.42 C ATOM 1193 O LEU A 72 3.656 4.457 6.625 1.00 63.53 O ATOM 1194 CB LEU A 72 4.454 1.293 7.226 1.00 0.02 C ATOM 1195 CG LEU A 72 5.089 0.606 8.452 1.00 72.45 C ATOM 1196 CD1 LEU A 72 5.694 1.644 9.394 1.00 21.15 C ATOM 1197 CD2 LEU A 72 4.073 -0.266 9.191 1.00 54.02 C ATOM 0 H LEU A 72 2.114 0.500 7.482 1.00 32.01 H new ATOM 0 HA LEU A 72 3.467 2.761 8.470 1.00 52.45 H new ATOM 0 HB2 LEU A 72 4.100 0.521 6.543 1.00 0.02 H new ATOM 0 HB3 LEU A 72 5.231 1.850 6.702 1.00 0.02 H new ATOM 0 HG LEU A 72 5.886 -0.045 8.094 1.00 72.45 H new ATOM 0 HD11 LEU A 72 6.137 1.141 10.253 1.00 21.15 H new ATOM 0 HD12 LEU A 72 6.463 2.209 8.867 1.00 21.15 H new ATOM 0 HD13 LEU A 72 4.914 2.325 9.735 1.00 21.15 H new ATOM 0 HD21 LEU A 72 4.553 -0.736 10.050 1.00 54.02 H new ATOM 0 HD22 LEU A 72 3.243 0.352 9.533 1.00 54.02 H new ATOM 0 HD23 LEU A 72 3.698 -1.037 8.518 1.00 54.02 H new ATOM 1209 N VAL A 73 2.615 3.000 5.282 1.00 12.51 N ATOM 1210 CA VAL A 73 2.510 3.959 4.172 1.00 33.12 C ATOM 1211 C VAL A 73 1.543 5.115 4.498 1.00 70.54 C ATOM 1212 O VAL A 73 1.843 6.283 4.231 1.00 41.11 O ATOM 1213 CB VAL A 73 2.069 3.260 2.860 1.00 73.54 C ATOM 1214 CG1 VAL A 73 1.881 4.275 1.729 1.00 41.01 C ATOM 1215 CG2 VAL A 73 3.083 2.188 2.457 1.00 10.21 C ATOM 0 H VAL A 73 2.212 2.083 5.090 1.00 12.51 H new ATOM 0 HA VAL A 73 3.506 4.378 4.030 1.00 33.12 H new ATOM 0 HB VAL A 73 1.108 2.779 3.042 1.00 73.54 H new ATOM 0 HG11 VAL A 73 1.572 3.756 0.822 1.00 41.01 H new ATOM 0 HG12 VAL A 73 1.116 4.998 2.012 1.00 41.01 H new ATOM 0 HG13 VAL A 73 2.821 4.795 1.547 1.00 41.01 H new ATOM 0 HG21 VAL A 73 2.757 1.708 1.534 1.00 10.21 H new ATOM 0 HG22 VAL A 73 4.058 2.650 2.301 1.00 10.21 H new ATOM 0 HG23 VAL A 73 3.157 1.442 3.248 1.00 10.21 H new ATOM 1225 N THR A 74 0.392 4.796 5.087 1.00 54.15 N ATOM 1226 CA THR A 74 -0.620 5.816 5.403 1.00 12.53 C ATOM 1227 C THR A 74 -0.132 6.813 6.467 1.00 35.05 C ATOM 1228 O THR A 74 -0.361 8.019 6.340 1.00 65.35 O ATOM 1229 CB THR A 74 -1.956 5.193 5.876 1.00 62.31 C ATOM 1230 OG1 THR A 74 -1.735 4.346 7.014 1.00 13.13 O ATOM 1231 CG2 THR A 74 -2.615 4.398 4.752 1.00 31.11 C ATOM 0 H THR A 74 0.133 3.847 5.356 1.00 54.15 H new ATOM 0 HA THR A 74 -0.790 6.350 4.468 1.00 12.53 H new ATOM 0 HB THR A 74 -2.626 6.004 6.161 1.00 62.31 H new ATOM 0 HG1 THR A 74 -1.349 3.495 6.718 1.00 13.13 H new ATOM 0 HG21 THR A 74 -3.552 3.970 5.110 1.00 31.11 H new ATOM 0 HG22 THR A 74 -2.816 5.059 3.909 1.00 31.11 H new ATOM 0 HG23 THR A 74 -1.948 3.596 4.434 1.00 31.11 H new ATOM 1239 N GLU A 75 0.539 6.324 7.515 1.00 21.43 N ATOM 1240 CA GLU A 75 1.064 7.211 8.565 1.00 33.51 C ATOM 1241 C GLU A 75 2.107 8.188 7.994 1.00 75.42 C ATOM 1242 O GLU A 75 2.216 9.335 8.439 1.00 3.22 O ATOM 1243 CB GLU A 75 1.684 6.406 9.723 1.00 74.24 C ATOM 1244 CG GLU A 75 2.967 5.664 9.358 1.00 43.53 C ATOM 1245 CD GLU A 75 3.723 5.160 10.577 1.00 22.45 C ATOM 1246 OE1 GLU A 75 3.457 4.030 11.032 1.00 23.32 O ATOM 1247 OE2 GLU A 75 4.581 5.908 11.100 1.00 21.21 O ATOM 0 H GLU A 75 0.731 5.333 7.661 1.00 21.43 H new ATOM 0 HA GLU A 75 0.221 7.783 8.953 1.00 33.51 H new ATOM 0 HB2 GLU A 75 1.894 7.085 10.550 1.00 74.24 H new ATOM 0 HB3 GLU A 75 0.950 5.684 10.081 1.00 74.24 H new ATOM 0 HG2 GLU A 75 2.722 4.820 8.713 1.00 43.53 H new ATOM 0 HG3 GLU A 75 3.614 6.327 8.783 1.00 43.53 H new ATOM 1254 N LYS A 76 2.858 7.734 6.989 1.00 52.52 N ATOM 1255 CA LYS A 76 3.889 8.562 6.355 1.00 34.43 C ATOM 1256 C LYS A 76 3.286 9.569 5.356 1.00 33.13 C ATOM 1257 O LYS A 76 4.017 10.333 4.725 1.00 22.40 O ATOM 1258 CB LYS A 76 4.927 7.675 5.650 1.00 53.11 C ATOM 1259 CG LYS A 76 5.689 6.734 6.587 1.00 51.40 C ATOM 1260 CD LYS A 76 6.434 7.495 7.687 1.00 43.21 C ATOM 1261 CE LYS A 76 7.263 6.561 8.566 1.00 51.05 C ATOM 1262 NZ LYS A 76 7.997 7.296 9.634 1.00 23.32 N ATOM 0 H LYS A 76 2.772 6.797 6.595 1.00 52.52 H new ATOM 0 HA LYS A 76 4.379 9.133 7.144 1.00 34.43 H new ATOM 0 HB2 LYS A 76 4.423 7.081 4.888 1.00 53.11 H new ATOM 0 HB3 LYS A 76 5.643 8.314 5.134 1.00 53.11 H new ATOM 0 HG2 LYS A 76 4.990 6.032 7.042 1.00 51.40 H new ATOM 0 HG3 LYS A 76 6.401 6.145 6.008 1.00 51.40 H new ATOM 0 HD2 LYS A 76 7.087 8.241 7.234 1.00 43.21 H new ATOM 0 HD3 LYS A 76 5.716 8.033 8.306 1.00 43.21 H new ATOM 0 HE2 LYS A 76 6.608 5.819 9.023 1.00 51.05 H new ATOM 0 HE3 LYS A 76 7.976 6.018 7.945 1.00 51.05 H new ATOM 0 HZ1 LYS A 76 8.546 6.622 10.205 1.00 23.32 H new ATOM 0 HZ2 LYS A 76 8.642 7.987 9.200 1.00 23.32 H new ATOM 0 HZ3 LYS A 76 7.317 7.793 10.244 1.00 23.32 H new ATOM 1276 N GLY A 77 1.957 9.562 5.211 1.00 73.12 N ATOM 1277 CA GLY A 77 1.284 10.555 4.377 1.00 11.33 C ATOM 1278 C GLY A 77 0.482 9.964 3.220 1.00 34.22 C ATOM 1279 O GLY A 77 -0.240 10.689 2.530 1.00 74.33 O ATOM 0 H GLY A 77 1.335 8.887 5.656 1.00 73.12 H new ATOM 0 HA2 GLY A 77 0.615 11.145 5.003 1.00 11.33 H new ATOM 0 HA3 GLY A 77 2.030 11.240 3.974 1.00 11.33 H new ATOM 1283 N GLY A 78 0.601 8.657 2.996 1.00 0.14 N ATOM 1284 CA GLY A 78 -0.130 8.011 1.907 1.00 3.21 C ATOM 1285 C GLY A 78 0.744 7.719 0.692 1.00 3.45 C ATOM 1286 O GLY A 78 1.845 8.258 0.571 1.00 44.33 O ATOM 0 H GLY A 78 1.189 8.031 3.546 1.00 0.14 H new ATOM 0 HA2 GLY A 78 -0.561 7.078 2.270 1.00 3.21 H new ATOM 0 HA3 GLY A 78 -0.960 8.650 1.605 1.00 3.21 H new ATOM 1290 N LEU A 79 0.235 6.889 -0.221 1.00 40.13 N ATOM 1291 CA LEU A 79 1.002 6.407 -1.386 1.00 74.22 C ATOM 1292 C LEU A 79 1.809 7.517 -2.083 1.00 2.14 C ATOM 1293 O LEU A 79 3.040 7.456 -2.140 1.00 71.52 O ATOM 1294 CB LEU A 79 0.054 5.742 -2.397 1.00 62.03 C ATOM 1295 CG LEU A 79 0.714 5.214 -3.686 1.00 34.32 C ATOM 1296 CD1 LEU A 79 1.824 4.215 -3.362 1.00 54.32 C ATOM 1297 CD2 LEU A 79 -0.333 4.581 -4.605 1.00 21.43 C ATOM 0 H LEU A 79 -0.718 6.529 -0.179 1.00 40.13 H new ATOM 0 HA LEU A 79 1.723 5.682 -1.008 1.00 74.22 H new ATOM 0 HB2 LEU A 79 -0.450 4.912 -1.903 1.00 62.03 H new ATOM 0 HB3 LEU A 79 -0.716 6.463 -2.674 1.00 62.03 H new ATOM 0 HG LEU A 79 1.164 6.059 -4.208 1.00 34.32 H new ATOM 0 HD11 LEU A 79 2.274 3.857 -4.288 1.00 54.32 H new ATOM 0 HD12 LEU A 79 2.586 4.702 -2.753 1.00 54.32 H new ATOM 0 HD13 LEU A 79 1.406 3.372 -2.813 1.00 54.32 H new ATOM 0 HD21 LEU A 79 0.151 4.214 -5.510 1.00 21.43 H new ATOM 0 HD22 LEU A 79 -0.815 3.751 -4.089 1.00 21.43 H new ATOM 0 HD23 LEU A 79 -1.082 5.327 -4.871 1.00 21.43 H new ATOM 1309 N VAL A 80 1.121 8.528 -2.607 1.00 13.11 N ATOM 1310 CA VAL A 80 1.782 9.601 -3.364 1.00 40.35 C ATOM 1311 C VAL A 80 2.846 10.336 -2.532 1.00 11.23 C ATOM 1312 O VAL A 80 3.979 10.519 -2.983 1.00 73.43 O ATOM 1313 CB VAL A 80 0.760 10.627 -3.905 1.00 74.33 C ATOM 1314 CG1 VAL A 80 1.464 11.743 -4.679 1.00 70.41 C ATOM 1315 CG2 VAL A 80 -0.280 9.932 -4.780 1.00 4.13 C ATOM 0 H VAL A 80 0.110 8.632 -2.525 1.00 13.11 H new ATOM 0 HA VAL A 80 2.279 9.112 -4.202 1.00 40.35 H new ATOM 0 HB VAL A 80 0.248 11.080 -3.056 1.00 74.33 H new ATOM 0 HG11 VAL A 80 0.724 12.452 -5.049 1.00 70.41 H new ATOM 0 HG12 VAL A 80 2.162 12.259 -4.020 1.00 70.41 H new ATOM 0 HG13 VAL A 80 2.009 11.315 -5.520 1.00 70.41 H new ATOM 0 HG21 VAL A 80 -0.992 10.668 -5.153 1.00 4.13 H new ATOM 0 HG22 VAL A 80 0.217 9.449 -5.621 1.00 4.13 H new ATOM 0 HG23 VAL A 80 -0.808 9.182 -4.191 1.00 4.13 H new ATOM 1325 N GLU A 81 2.487 10.748 -1.316 1.00 11.14 N ATOM 1326 CA GLU A 81 3.415 11.491 -0.457 1.00 72.34 C ATOM 1327 C GLU A 81 4.659 10.650 -0.130 1.00 2.50 C ATOM 1328 O GLU A 81 5.783 11.152 -0.140 1.00 61.23 O ATOM 1329 CB GLU A 81 2.708 11.944 0.829 1.00 32.41 C ATOM 1330 CG GLU A 81 3.543 12.890 1.691 1.00 50.54 C ATOM 1331 CD GLU A 81 2.740 13.545 2.806 1.00 73.00 C ATOM 1332 OE1 GLU A 81 1.794 14.298 2.493 1.00 61.31 O ATOM 1333 OE2 GLU A 81 3.061 13.330 3.995 1.00 53.43 O ATOM 0 H GLU A 81 1.569 10.583 -0.904 1.00 11.14 H new ATOM 0 HA GLU A 81 3.746 12.377 -0.999 1.00 72.34 H new ATOM 0 HB2 GLU A 81 1.773 12.438 0.564 1.00 32.41 H new ATOM 0 HB3 GLU A 81 2.448 11.065 1.418 1.00 32.41 H new ATOM 0 HG2 GLU A 81 4.375 12.336 2.127 1.00 50.54 H new ATOM 0 HG3 GLU A 81 3.973 13.665 1.057 1.00 50.54 H new ATOM 1340 N VAL A 82 4.454 9.360 0.132 1.00 13.02 N ATOM 1341 CA VAL A 82 5.563 8.428 0.363 1.00 62.43 C ATOM 1342 C VAL A 82 6.490 8.340 -0.866 1.00 24.41 C ATOM 1343 O VAL A 82 7.718 8.313 -0.733 1.00 45.32 O ATOM 1344 CB VAL A 82 5.031 7.017 0.732 1.00 1.51 C ATOM 1345 CG1 VAL A 82 6.164 5.996 0.842 1.00 64.32 C ATOM 1346 CG2 VAL A 82 4.237 7.075 2.036 1.00 31.24 C ATOM 0 H VAL A 82 3.529 8.933 0.190 1.00 13.02 H new ATOM 0 HA VAL A 82 6.144 8.814 1.200 1.00 62.43 H new ATOM 0 HB VAL A 82 4.372 6.691 -0.072 1.00 1.51 H new ATOM 0 HG11 VAL A 82 5.751 5.021 1.102 1.00 64.32 H new ATOM 0 HG12 VAL A 82 6.685 5.927 -0.113 1.00 64.32 H new ATOM 0 HG13 VAL A 82 6.864 6.311 1.616 1.00 64.32 H new ATOM 0 HG21 VAL A 82 3.870 6.079 2.283 1.00 31.24 H new ATOM 0 HG22 VAL A 82 4.881 7.434 2.839 1.00 31.24 H new ATOM 0 HG23 VAL A 82 3.393 7.754 1.918 1.00 31.24 H new ATOM 1356 N ILE A 83 5.894 8.316 -2.060 1.00 41.45 N ATOM 1357 CA ILE A 83 6.657 8.294 -3.317 1.00 22.34 C ATOM 1358 C ILE A 83 7.496 9.576 -3.487 1.00 52.34 C ATOM 1359 O ILE A 83 8.664 9.521 -3.879 1.00 22.53 O ATOM 1360 CB ILE A 83 5.716 8.121 -4.541 1.00 23.20 C ATOM 1361 CG1 ILE A 83 4.963 6.781 -4.456 1.00 24.55 C ATOM 1362 CG2 ILE A 83 6.498 8.211 -5.851 1.00 33.01 C ATOM 1363 CD1 ILE A 83 3.964 6.567 -5.578 1.00 11.33 C ATOM 0 H ILE A 83 4.882 8.311 -2.186 1.00 41.45 H new ATOM 0 HA ILE A 83 7.332 7.439 -3.267 1.00 22.34 H new ATOM 0 HB ILE A 83 4.988 8.932 -4.525 1.00 23.20 H new ATOM 0 HG12 ILE A 83 5.687 5.967 -4.467 1.00 24.55 H new ATOM 0 HG13 ILE A 83 4.440 6.729 -3.501 1.00 24.55 H new ATOM 0 HG21 ILE A 83 5.815 8.087 -6.692 1.00 33.01 H new ATOM 0 HG22 ILE A 83 6.983 9.185 -5.919 1.00 33.01 H new ATOM 0 HG23 ILE A 83 7.254 7.426 -5.878 1.00 33.01 H new ATOM 0 HD11 ILE A 83 3.474 5.602 -5.450 1.00 11.33 H new ATOM 0 HD12 ILE A 83 3.216 7.360 -5.555 1.00 11.33 H new ATOM 0 HD13 ILE A 83 4.483 6.585 -6.536 1.00 11.33 H new ATOM 1375 N ASN A 84 6.896 10.724 -3.182 1.00 42.34 N ATOM 1376 CA ASN A 84 7.603 12.012 -3.260 1.00 4.44 C ATOM 1377 C ASN A 84 8.720 12.116 -2.206 1.00 50.21 C ATOM 1378 O ASN A 84 9.804 12.632 -2.483 1.00 73.31 O ATOM 1379 CB ASN A 84 6.618 13.174 -3.084 1.00 64.35 C ATOM 1380 CG ASN A 84 5.637 13.297 -4.240 1.00 11.01 C ATOM 1381 OD1 ASN A 84 5.958 12.979 -5.380 1.00 12.43 O ATOM 1382 ND2 ASN A 84 4.440 13.769 -3.957 1.00 45.32 N ATOM 0 H ASN A 84 5.925 10.795 -2.879 1.00 42.34 H new ATOM 0 HA ASN A 84 8.063 12.070 -4.247 1.00 4.44 H new ATOM 0 HB2 ASN A 84 6.063 13.036 -2.156 1.00 64.35 H new ATOM 0 HB3 ASN A 84 7.176 14.105 -2.987 1.00 64.35 H new ATOM 0 HD21 ASN A 84 3.747 13.879 -4.697 1.00 45.32 H new ATOM 0 HD22 ASN A 84 4.206 14.024 -2.997 1.00 45.32 H new ATOM 1389 N LYS A 85 8.444 11.624 -0.998 1.00 14.43 N ATOM 1390 CA LYS A 85 9.414 11.670 0.107 1.00 71.34 C ATOM 1391 C LYS A 85 10.494 10.581 -0.022 1.00 40.41 C ATOM 1392 O LYS A 85 11.521 10.638 0.657 1.00 3.50 O ATOM 1393 CB LYS A 85 8.687 11.542 1.453 1.00 43.15 C ATOM 1394 CG LYS A 85 7.723 12.689 1.739 1.00 70.22 C ATOM 1395 CD LYS A 85 6.990 12.520 3.069 1.00 52.41 C ATOM 1396 CE LYS A 85 7.949 12.476 4.252 1.00 35.14 C ATOM 1397 NZ LYS A 85 7.225 12.420 5.549 1.00 43.20 N ATOM 0 H LYS A 85 7.555 11.187 -0.755 1.00 14.43 H new ATOM 0 HA LYS A 85 9.920 12.634 0.058 1.00 71.34 H new ATOM 0 HB2 LYS A 85 8.135 10.602 1.470 1.00 43.15 H new ATOM 0 HB3 LYS A 85 9.426 11.492 2.252 1.00 43.15 H new ATOM 0 HG2 LYS A 85 8.275 13.629 1.749 1.00 70.22 H new ATOM 0 HG3 LYS A 85 6.994 12.756 0.932 1.00 70.22 H new ATOM 0 HD2 LYS A 85 6.288 13.343 3.203 1.00 52.41 H new ATOM 0 HD3 LYS A 85 6.403 11.602 3.045 1.00 52.41 H new ATOM 0 HE2 LYS A 85 8.599 11.606 4.161 1.00 35.14 H new ATOM 0 HE3 LYS A 85 8.591 13.357 4.232 1.00 35.14 H new ATOM 0 HZ1 LYS A 85 7.912 12.391 6.329 1.00 43.20 H new ATOM 0 HZ2 LYS A 85 6.624 13.263 5.648 1.00 43.20 H new ATOM 0 HZ3 LYS A 85 6.632 11.566 5.579 1.00 43.20 H new ATOM 1411 N LYS A 86 10.246 9.580 -0.874 1.00 33.41 N ATOM 1412 CA LYS A 86 11.243 8.535 -1.187 1.00 61.24 C ATOM 1413 C LYS A 86 11.606 7.669 0.039 1.00 41.02 C ATOM 1414 O LYS A 86 12.593 6.932 0.010 1.00 73.30 O ATOM 1415 CB LYS A 86 12.529 9.173 -1.748 1.00 52.10 C ATOM 1416 CG LYS A 86 12.321 10.053 -2.977 1.00 2.14 C ATOM 1417 CD LYS A 86 11.920 9.247 -4.207 1.00 15.25 C ATOM 1418 CE LYS A 86 11.766 10.144 -5.432 1.00 30.32 C ATOM 1419 NZ LYS A 86 13.003 10.922 -5.719 1.00 42.42 N ATOM 0 H LYS A 86 9.359 9.466 -1.365 1.00 33.41 H new ATOM 0 HA LYS A 86 10.785 7.885 -1.932 1.00 61.24 H new ATOM 0 HB2 LYS A 86 12.993 9.771 -0.964 1.00 52.10 H new ATOM 0 HB3 LYS A 86 13.232 8.379 -2.001 1.00 52.10 H new ATOM 0 HG2 LYS A 86 11.550 10.794 -2.764 1.00 2.14 H new ATOM 0 HG3 LYS A 86 13.240 10.601 -3.188 1.00 2.14 H new ATOM 0 HD2 LYS A 86 12.672 8.483 -4.405 1.00 15.25 H new ATOM 0 HD3 LYS A 86 10.981 8.727 -4.014 1.00 15.25 H new ATOM 0 HE2 LYS A 86 11.514 9.533 -6.299 1.00 30.32 H new ATOM 0 HE3 LYS A 86 10.935 10.831 -5.275 1.00 30.32 H new ATOM 0 HZ1 LYS A 86 12.922 11.370 -6.654 1.00 42.42 H new ATOM 0 HZ2 LYS A 86 13.128 11.656 -4.993 1.00 42.42 H new ATOM 0 HZ3 LYS A 86 13.824 10.284 -5.711 1.00 42.42 H new ATOM 1433 N LEU A 87 10.799 7.729 1.099 1.00 73.02 N ATOM 1434 CA LEU A 87 11.141 7.065 2.372 1.00 4.42 C ATOM 1435 C LEU A 87 10.636 5.606 2.435 1.00 21.10 C ATOM 1436 O LEU A 87 10.406 5.066 3.519 1.00 3.32 O ATOM 1437 CB LEU A 87 10.614 7.888 3.573 1.00 22.14 C ATOM 1438 CG LEU A 87 9.099 7.811 3.883 1.00 71.02 C ATOM 1439 CD1 LEU A 87 8.732 8.776 5.005 1.00 51.04 C ATOM 1440 CD2 LEU A 87 8.252 8.096 2.648 1.00 21.32 C ATOM 0 H LEU A 87 9.908 8.225 1.109 1.00 73.02 H new ATOM 0 HA LEU A 87 12.229 7.020 2.428 1.00 4.42 H new ATOM 0 HB2 LEU A 87 11.156 7.569 4.463 1.00 22.14 H new ATOM 0 HB3 LEU A 87 10.870 8.934 3.402 1.00 22.14 H new ATOM 0 HG LEU A 87 8.885 6.792 4.205 1.00 71.02 H new ATOM 0 HD11 LEU A 87 7.663 8.708 5.209 1.00 51.04 H new ATOM 0 HD12 LEU A 87 9.290 8.517 5.905 1.00 51.04 H new ATOM 0 HD13 LEU A 87 8.980 9.794 4.705 1.00 51.04 H new ATOM 0 HD21 LEU A 87 7.196 8.032 2.909 1.00 21.32 H new ATOM 0 HD22 LEU A 87 8.474 9.097 2.277 1.00 21.32 H new ATOM 0 HD23 LEU A 87 8.480 7.363 1.874 1.00 21.32 H new ATOM 1452 N TRP A 88 10.514 4.956 1.272 1.00 11.11 N ATOM 1453 CA TRP A 88 10.124 3.535 1.210 1.00 13.14 C ATOM 1454 C TRP A 88 11.095 2.638 2.000 1.00 72.12 C ATOM 1455 O TRP A 88 10.758 1.509 2.352 1.00 60.22 O ATOM 1456 CB TRP A 88 10.043 3.046 -0.244 1.00 40.12 C ATOM 1457 CG TRP A 88 8.841 3.548 -0.992 1.00 72.43 C ATOM 1458 CD1 TRP A 88 8.790 4.598 -1.863 1.00 23.23 C ATOM 1459 CD2 TRP A 88 7.514 3.011 -0.932 1.00 23.03 C ATOM 1460 NE1 TRP A 88 7.511 4.748 -2.345 1.00 43.51 N ATOM 1461 CE2 TRP A 88 6.709 3.789 -1.785 1.00 64.32 C ATOM 1462 CE3 TRP A 88 6.927 1.951 -0.234 1.00 1.12 C ATOM 1463 CZ2 TRP A 88 5.351 3.537 -1.964 1.00 1.13 C ATOM 1464 CZ3 TRP A 88 5.579 1.701 -0.411 1.00 44.41 C ATOM 1465 CH2 TRP A 88 4.802 2.494 -1.268 1.00 40.12 C ATOM 0 H TRP A 88 10.678 5.386 0.362 1.00 11.11 H new ATOM 0 HA TRP A 88 9.138 3.462 1.668 1.00 13.14 H new ATOM 0 HB2 TRP A 88 10.944 3.359 -0.772 1.00 40.12 H new ATOM 0 HB3 TRP A 88 10.033 1.956 -0.250 1.00 40.12 H new ATOM 0 HD1 TRP A 88 9.631 5.220 -2.134 1.00 23.23 H new ATOM 0 HE1 TRP A 88 7.208 5.458 -3.012 1.00 43.51 H new ATOM 0 HE3 TRP A 88 7.517 1.338 0.432 1.00 1.12 H new ATOM 0 HZ2 TRP A 88 4.753 4.143 -2.628 1.00 1.13 H new ATOM 0 HZ3 TRP A 88 5.117 0.882 0.119 1.00 44.41 H new ATOM 0 HH2 TRP A 88 3.750 2.277 -1.381 1.00 40.12 H new ATOM 1476 N ARG A 89 12.301 3.144 2.264 1.00 74.11 N ATOM 1477 CA ARG A 89 13.270 2.453 3.128 1.00 23.41 C ATOM 1478 C ARG A 89 12.639 2.063 4.477 1.00 2.45 C ATOM 1479 O ARG A 89 12.830 0.949 4.967 1.00 30.15 O ATOM 1480 CB ARG A 89 14.499 3.349 3.368 1.00 30.44 C ATOM 1481 CG ARG A 89 14.144 4.799 3.700 1.00 61.10 C ATOM 1482 CD ARG A 89 15.339 5.573 4.251 1.00 32.04 C ATOM 1483 NE ARG A 89 15.663 5.170 5.619 1.00 10.35 N ATOM 1484 CZ ARG A 89 16.643 5.666 6.325 1.00 50.41 C ATOM 1485 NH1 ARG A 89 17.438 6.558 5.824 1.00 71.45 N ATOM 1486 NH2 ARG A 89 16.817 5.266 7.544 1.00 21.24 N ATOM 0 H ARG A 89 12.634 4.033 1.892 1.00 74.11 H new ATOM 0 HA ARG A 89 13.579 1.540 2.619 1.00 23.41 H new ATOM 0 HB2 ARG A 89 15.088 2.932 4.185 1.00 30.44 H new ATOM 0 HB3 ARG A 89 15.129 3.332 2.479 1.00 30.44 H new ATOM 0 HG2 ARG A 89 13.774 5.295 2.803 1.00 61.10 H new ATOM 0 HG3 ARG A 89 13.335 4.815 4.430 1.00 61.10 H new ATOM 0 HD2 ARG A 89 16.205 5.410 3.609 1.00 32.04 H new ATOM 0 HD3 ARG A 89 15.122 6.641 4.228 1.00 32.04 H new ATOM 0 HE ARG A 89 15.083 4.451 6.052 1.00 10.35 H new ATOM 0 HH11 ARG A 89 17.302 6.882 4.866 1.00 71.45 H new ATOM 0 HH12 ARG A 89 18.199 6.937 6.387 1.00 71.45 H new ATOM 0 HH21 ARG A 89 16.191 4.568 7.946 1.00 21.24 H new ATOM 0 HH22 ARG A 89 17.580 5.648 8.102 1.00 21.24 H new ATOM 1500 N GLU A 90 11.870 2.981 5.058 1.00 22.24 N ATOM 1501 CA GLU A 90 11.210 2.745 6.346 1.00 43.04 C ATOM 1502 C GLU A 90 10.101 1.697 6.215 1.00 62.24 C ATOM 1503 O GLU A 90 9.903 0.864 7.101 1.00 13.01 O ATOM 1504 CB GLU A 90 10.626 4.058 6.880 1.00 60.43 C ATOM 1505 CG GLU A 90 11.652 5.182 6.990 1.00 64.03 C ATOM 1506 CD GLU A 90 12.798 4.848 7.932 1.00 20.51 C ATOM 1507 OE1 GLU A 90 13.801 4.258 7.480 1.00 5.23 O ATOM 1508 OE2 GLU A 90 12.702 5.181 9.133 1.00 51.51 O ATOM 0 H GLU A 90 11.686 3.901 4.657 1.00 22.24 H new ATOM 0 HA GLU A 90 11.955 2.366 7.046 1.00 43.04 H new ATOM 0 HB2 GLU A 90 9.816 4.379 6.225 1.00 60.43 H new ATOM 0 HB3 GLU A 90 10.189 3.879 7.862 1.00 60.43 H new ATOM 0 HG2 GLU A 90 12.054 5.398 6.000 1.00 64.03 H new ATOM 0 HG3 GLU A 90 11.155 6.088 7.337 1.00 64.03 H new ATOM 1515 N ILE A 91 9.388 1.745 5.094 1.00 44.12 N ATOM 1516 CA ILE A 91 8.301 0.803 4.820 1.00 44.42 C ATOM 1517 C ILE A 91 8.848 -0.625 4.659 1.00 0.01 C ATOM 1518 O ILE A 91 8.409 -1.558 5.335 1.00 2.35 O ATOM 1519 CB ILE A 91 7.530 1.198 3.532 1.00 63.21 C ATOM 1520 CG1 ILE A 91 7.184 2.701 3.531 1.00 52.12 C ATOM 1521 CG2 ILE A 91 6.266 0.353 3.383 1.00 65.42 C ATOM 1522 CD1 ILE A 91 6.342 3.147 4.710 1.00 70.13 C ATOM 0 H ILE A 91 9.543 2.430 4.354 1.00 44.12 H new ATOM 0 HA ILE A 91 7.618 0.838 5.669 1.00 44.42 H new ATOM 0 HB ILE A 91 8.178 1.003 2.678 1.00 63.21 H new ATOM 0 HG12 ILE A 91 8.110 3.275 3.523 1.00 52.12 H new ATOM 0 HG13 ILE A 91 6.653 2.939 2.609 1.00 52.12 H new ATOM 0 HG21 ILE A 91 5.739 0.644 2.475 1.00 65.42 H new ATOM 0 HG22 ILE A 91 6.538 -0.701 3.323 1.00 65.42 H new ATOM 0 HG23 ILE A 91 5.618 0.512 4.245 1.00 65.42 H new ATOM 0 HD11 ILE A 91 6.144 4.216 4.632 1.00 70.13 H new ATOM 0 HD12 ILE A 91 5.398 2.602 4.710 1.00 70.13 H new ATOM 0 HD13 ILE A 91 6.878 2.944 5.637 1.00 70.13 H new ATOM 1534 N THR A 92 9.828 -0.774 3.767 1.00 30.41 N ATOM 1535 CA THR A 92 10.485 -2.065 3.518 1.00 11.41 C ATOM 1536 C THR A 92 11.071 -2.639 4.817 1.00 4.31 C ATOM 1537 O THR A 92 10.844 -3.800 5.164 1.00 71.13 O ATOM 1538 CB THR A 92 11.626 -1.917 2.471 1.00 22.43 C ATOM 1539 OG1 THR A 92 11.215 -1.051 1.404 1.00 20.34 O ATOM 1540 CG2 THR A 92 12.027 -3.263 1.881 1.00 62.42 C ATOM 0 H THR A 92 10.190 -0.009 3.197 1.00 30.41 H new ATOM 0 HA THR A 92 9.727 -2.746 3.130 1.00 11.41 H new ATOM 0 HB THR A 92 12.485 -1.492 2.991 1.00 22.43 H new ATOM 0 HG1 THR A 92 11.210 -0.123 1.719 1.00 20.34 H new ATOM 0 HG21 THR A 92 12.826 -3.118 1.154 1.00 62.42 H new ATOM 0 HG22 THR A 92 12.376 -3.920 2.678 1.00 62.42 H new ATOM 0 HG23 THR A 92 11.166 -3.715 1.388 1.00 62.42 H new ATOM 1548 N LYS A 93 11.811 -1.800 5.540 1.00 50.44 N ATOM 1549 CA LYS A 93 12.433 -2.196 6.809 1.00 50.11 C ATOM 1550 C LYS A 93 11.375 -2.559 7.867 1.00 10.30 C ATOM 1551 O LYS A 93 11.575 -3.474 8.673 1.00 41.42 O ATOM 1552 CB LYS A 93 13.324 -1.054 7.325 1.00 21.43 C ATOM 1553 CG LYS A 93 14.175 -1.416 8.538 1.00 64.00 C ATOM 1554 CD LYS A 93 15.173 -2.526 8.218 1.00 1.13 C ATOM 1555 CE LYS A 93 16.093 -2.818 9.397 1.00 44.43 C ATOM 1556 NZ LYS A 93 16.888 -1.626 9.794 1.00 2.31 N ATOM 0 H LYS A 93 11.997 -0.835 5.269 1.00 50.44 H new ATOM 0 HA LYS A 93 13.040 -3.083 6.628 1.00 50.11 H new ATOM 0 HB2 LYS A 93 13.982 -0.731 6.519 1.00 21.43 H new ATOM 0 HB3 LYS A 93 12.692 -0.204 7.581 1.00 21.43 H new ATOM 0 HG2 LYS A 93 14.712 -0.532 8.882 1.00 64.00 H new ATOM 0 HG3 LYS A 93 13.527 -1.734 9.355 1.00 64.00 H new ATOM 0 HD2 LYS A 93 14.633 -3.433 7.945 1.00 1.13 H new ATOM 0 HD3 LYS A 93 15.771 -2.239 7.353 1.00 1.13 H new ATOM 0 HE2 LYS A 93 15.498 -3.156 10.246 1.00 44.43 H new ATOM 0 HE3 LYS A 93 16.768 -3.633 9.136 1.00 44.43 H new ATOM 0 HZ1 LYS A 93 17.679 -1.923 10.400 1.00 2.31 H new ATOM 0 HZ2 LYS A 93 17.260 -1.158 8.943 1.00 2.31 H new ATOM 0 HZ3 LYS A 93 16.281 -0.962 10.317 1.00 2.31 H new ATOM 1570 N GLY A 94 10.253 -1.838 7.858 1.00 42.21 N ATOM 1571 CA GLY A 94 9.169 -2.104 8.799 1.00 70.02 C ATOM 1572 C GLY A 94 8.550 -3.489 8.622 1.00 15.44 C ATOM 1573 O GLY A 94 8.043 -4.079 9.578 1.00 61.44 O ATOM 0 H GLY A 94 10.073 -1.069 7.212 1.00 42.21 H new ATOM 0 HA2 GLY A 94 9.548 -2.009 9.817 1.00 70.02 H new ATOM 0 HA3 GLY A 94 8.394 -1.347 8.675 1.00 70.02 H new ATOM 1577 N LEU A 95 8.608 -4.014 7.397 1.00 62.00 N ATOM 1578 CA LEU A 95 8.081 -5.350 7.092 1.00 1.34 C ATOM 1579 C LEU A 95 9.142 -6.435 7.357 1.00 1.32 C ATOM 1580 O LEU A 95 8.981 -7.588 6.948 1.00 65.22 O ATOM 1581 CB LEU A 95 7.616 -5.399 5.627 1.00 21.34 C ATOM 1582 CG LEU A 95 6.629 -4.292 5.215 1.00 21.11 C ATOM 1583 CD1 LEU A 95 6.239 -4.428 3.748 1.00 21.12 C ATOM 1584 CD2 LEU A 95 5.392 -4.309 6.106 1.00 2.50 C ATOM 0 H LEU A 95 9.016 -3.534 6.595 1.00 62.00 H new ATOM 0 HA LEU A 95 7.231 -5.548 7.745 1.00 1.34 H new ATOM 0 HB2 LEU A 95 8.493 -5.340 4.982 1.00 21.34 H new ATOM 0 HB3 LEU A 95 7.149 -6.367 5.443 1.00 21.34 H new ATOM 0 HG LEU A 95 7.128 -3.332 5.344 1.00 21.11 H new ATOM 0 HD11 LEU A 95 5.541 -3.634 3.482 1.00 21.12 H new ATOM 0 HD12 LEU A 95 7.131 -4.351 3.126 1.00 21.12 H new ATOM 0 HD13 LEU A 95 5.766 -5.396 3.586 1.00 21.12 H new ATOM 0 HD21 LEU A 95 4.709 -3.518 5.796 1.00 2.50 H new ATOM 0 HD22 LEU A 95 4.893 -5.274 6.018 1.00 2.50 H new ATOM 0 HD23 LEU A 95 5.688 -4.147 7.142 1.00 2.50 H new ATOM 1596 N ASN A 96 10.225 -6.040 8.044 1.00 30.30 N ATOM 1597 CA ASN A 96 11.332 -6.943 8.401 1.00 52.12 C ATOM 1598 C ASN A 96 12.172 -7.327 7.166 1.00 32.34 C ATOM 1599 O ASN A 96 13.039 -8.202 7.231 1.00 70.43 O ATOM 1600 CB ASN A 96 10.795 -8.205 9.105 1.00 54.31 C ATOM 1601 CG ASN A 96 11.851 -8.927 9.928 1.00 12.33 C ATOM 1602 OD1 ASN A 96 12.667 -8.178 10.647 1.00 24.10 O flip ATOM 1603 ND2 ASN A 96 11.912 -10.154 9.948 1.00 74.34 N flip ATOM 0 H ASN A 96 10.359 -5.082 8.369 1.00 30.30 H new ATOM 0 HA ASN A 96 11.985 -6.409 9.091 1.00 52.12 H new ATOM 0 HB2 ASN A 96 9.966 -7.926 9.755 1.00 54.31 H new ATOM 0 HB3 ASN A 96 10.397 -8.889 8.356 1.00 54.31 H new ATOM 0 HD21 ASN A 96 11.268 -10.706 9.382 1.00 74.34 H new ATOM 0 HD22 ASN A 96 12.607 -10.621 10.531 1.00 74.34 H new ATOM 1610 N LEU A 97 11.936 -6.636 6.053 1.00 73.24 N ATOM 1611 CA LEU A 97 12.618 -6.934 4.789 1.00 63.13 C ATOM 1612 C LEU A 97 14.044 -6.350 4.758 1.00 35.45 C ATOM 1613 O LEU A 97 14.311 -5.303 5.353 1.00 33.14 O ATOM 1614 CB LEU A 97 11.809 -6.365 3.616 1.00 43.45 C ATOM 1615 CG LEU A 97 10.334 -6.791 3.552 1.00 1.53 C ATOM 1616 CD1 LEU A 97 9.631 -6.110 2.379 1.00 41.11 C ATOM 1617 CD2 LEU A 97 10.210 -8.309 3.456 1.00 4.42 C ATOM 0 H LEU A 97 11.275 -5.861 5.998 1.00 73.24 H new ATOM 0 HA LEU A 97 12.694 -8.018 4.701 1.00 63.13 H new ATOM 0 HB2 LEU A 97 11.852 -5.277 3.664 1.00 43.45 H new ATOM 0 HB3 LEU A 97 12.294 -6.662 2.686 1.00 43.45 H new ATOM 0 HG LEU A 97 9.845 -6.474 4.473 1.00 1.53 H new ATOM 0 HD11 LEU A 97 8.587 -6.423 2.349 1.00 41.11 H new ATOM 0 HD12 LEU A 97 9.682 -5.028 2.503 1.00 41.11 H new ATOM 0 HD13 LEU A 97 10.122 -6.392 1.447 1.00 41.11 H new ATOM 0 HD21 LEU A 97 9.157 -8.586 3.412 1.00 4.42 H new ATOM 0 HD22 LEU A 97 10.715 -8.659 2.556 1.00 4.42 H new ATOM 0 HD23 LEU A 97 10.669 -8.768 4.332 1.00 4.42 H new ATOM 1629 N PRO A 98 14.985 -7.030 4.073 1.00 53.23 N ATOM 1630 CA PRO A 98 16.357 -6.527 3.898 1.00 2.31 C ATOM 1631 C PRO A 98 16.451 -5.423 2.825 1.00 64.25 C ATOM 1632 O PRO A 98 15.958 -5.581 1.706 1.00 10.12 O ATOM 1633 CB PRO A 98 17.129 -7.781 3.465 1.00 33.20 C ATOM 1634 CG PRO A 98 16.118 -8.612 2.749 1.00 35.02 C ATOM 1635 CD PRO A 98 14.796 -8.349 3.433 1.00 11.13 C ATOM 0 HA PRO A 98 16.745 -6.060 4.803 1.00 2.31 H new ATOM 0 HB2 PRO A 98 17.966 -7.527 2.815 1.00 33.20 H new ATOM 0 HB3 PRO A 98 17.541 -8.310 4.324 1.00 33.20 H new ATOM 0 HG2 PRO A 98 16.070 -8.344 1.694 1.00 35.02 H new ATOM 0 HG3 PRO A 98 16.378 -9.669 2.798 1.00 35.02 H new ATOM 0 HD2 PRO A 98 13.973 -8.333 2.719 1.00 11.13 H new ATOM 0 HD3 PRO A 98 14.565 -9.121 4.168 1.00 11.13 H new ATOM 1643 N THR A 99 17.105 -4.315 3.163 1.00 34.13 N ATOM 1644 CA THR A 99 17.224 -3.168 2.243 1.00 24.43 C ATOM 1645 C THR A 99 18.136 -3.468 1.039 1.00 64.23 C ATOM 1646 O THR A 99 18.255 -2.652 0.124 1.00 22.21 O ATOM 1647 CB THR A 99 17.751 -1.910 2.978 1.00 61.42 C ATOM 1648 OG1 THR A 99 17.872 -0.797 2.069 1.00 64.14 O ATOM 1649 CG2 THR A 99 19.103 -2.182 3.635 1.00 14.54 C ATOM 0 H THR A 99 17.563 -4.179 4.064 1.00 34.13 H new ATOM 0 HA THR A 99 16.218 -2.978 1.869 1.00 24.43 H new ATOM 0 HB THR A 99 17.028 -1.659 3.754 1.00 61.42 H new ATOM 0 HG1 THR A 99 18.084 -1.129 1.172 1.00 64.14 H new ATOM 0 HG21 THR A 99 19.448 -1.282 4.143 1.00 14.54 H new ATOM 0 HG22 THR A 99 19.000 -2.990 4.359 1.00 14.54 H new ATOM 0 HG23 THR A 99 19.827 -2.468 2.872 1.00 14.54 H new ATOM 1657 N SER A 100 18.780 -4.634 1.045 1.00 63.40 N ATOM 1658 CA SER A 100 19.661 -5.050 -0.062 1.00 1.53 C ATOM 1659 C SER A 100 18.875 -5.434 -1.329 1.00 32.32 C ATOM 1660 O SER A 100 19.457 -5.573 -2.406 1.00 65.42 O ATOM 1661 CB SER A 100 20.546 -6.227 0.376 1.00 63.54 C ATOM 1662 OG SER A 100 21.378 -6.688 -0.680 1.00 5.53 O ATOM 0 H SER A 100 18.712 -5.314 1.803 1.00 63.40 H new ATOM 0 HA SER A 100 20.284 -4.191 -0.311 1.00 1.53 H new ATOM 0 HB2 SER A 100 21.166 -5.921 1.219 1.00 63.54 H new ATOM 0 HB3 SER A 100 19.915 -7.045 0.724 1.00 63.54 H new ATOM 0 HG SER A 100 21.064 -6.316 -1.530 1.00 5.53 H new ATOM 1668 N ILE A 101 17.557 -5.606 -1.199 1.00 52.53 N ATOM 1669 CA ILE A 101 16.704 -5.961 -2.345 1.00 71.21 C ATOM 1670 C ILE A 101 16.797 -4.908 -3.466 1.00 41.43 C ATOM 1671 O ILE A 101 16.610 -3.714 -3.230 1.00 72.50 O ATOM 1672 CB ILE A 101 15.224 -6.121 -1.914 1.00 55.53 C ATOM 1673 CG1 ILE A 101 15.093 -7.215 -0.842 1.00 60.44 C ATOM 1674 CG2 ILE A 101 14.334 -6.440 -3.122 1.00 11.35 C ATOM 1675 CD1 ILE A 101 13.701 -7.333 -0.254 1.00 1.50 C ATOM 0 H ILE A 101 17.055 -5.506 -0.317 1.00 52.53 H new ATOM 0 HA ILE A 101 17.070 -6.914 -2.727 1.00 71.21 H new ATOM 0 HB ILE A 101 14.889 -5.176 -1.488 1.00 55.53 H new ATOM 0 HG12 ILE A 101 15.375 -8.173 -1.278 1.00 60.44 H new ATOM 0 HG13 ILE A 101 15.800 -7.010 -0.038 1.00 60.44 H new ATOM 0 HG21 ILE A 101 13.300 -6.548 -2.794 1.00 11.35 H new ATOM 0 HG22 ILE A 101 14.402 -5.630 -3.848 1.00 11.35 H new ATOM 0 HG23 ILE A 101 14.667 -7.370 -3.584 1.00 11.35 H new ATOM 0 HD11 ILE A 101 13.688 -8.125 0.494 1.00 1.50 H new ATOM 0 HD12 ILE A 101 13.422 -6.388 0.213 1.00 1.50 H new ATOM 0 HD13 ILE A 101 12.990 -7.570 -1.046 1.00 1.50 H new ATOM 1687 N THR A 102 17.068 -5.373 -4.688 1.00 35.01 N ATOM 1688 CA THR A 102 17.322 -4.488 -5.837 1.00 72.13 C ATOM 1689 C THR A 102 16.209 -3.439 -6.049 1.00 71.21 C ATOM 1690 O THR A 102 16.445 -2.236 -5.919 1.00 0.11 O ATOM 1691 CB THR A 102 17.494 -5.307 -7.143 1.00 63.00 C ATOM 1692 OG1 THR A 102 18.513 -6.311 -6.973 1.00 44.40 O ATOM 1693 CG2 THR A 102 17.858 -4.409 -8.323 1.00 3.10 C ATOM 0 H THR A 102 17.118 -6.367 -4.912 1.00 35.01 H new ATOM 0 HA THR A 102 18.245 -3.958 -5.602 1.00 72.13 H new ATOM 0 HB THR A 102 16.539 -5.787 -7.357 1.00 63.00 H new ATOM 0 HG1 THR A 102 18.611 -6.822 -7.804 1.00 44.40 H new ATOM 0 HG21 THR A 102 17.971 -5.016 -9.221 1.00 3.10 H new ATOM 0 HG22 THR A 102 17.068 -3.674 -8.478 1.00 3.10 H new ATOM 0 HG23 THR A 102 18.796 -3.894 -8.113 1.00 3.10 H new ATOM 1701 N SER A 103 15.000 -3.897 -6.372 1.00 5.43 N ATOM 1702 CA SER A 103 13.886 -2.990 -6.706 1.00 4.14 C ATOM 1703 C SER A 103 12.802 -2.991 -5.614 1.00 43.33 C ATOM 1704 O SER A 103 11.610 -2.875 -5.915 1.00 21.05 O ATOM 1705 CB SER A 103 13.261 -3.397 -8.051 1.00 1.23 C ATOM 1706 OG SER A 103 14.253 -3.554 -9.059 1.00 32.00 O ATOM 0 H SER A 103 14.760 -4.888 -6.411 1.00 5.43 H new ATOM 0 HA SER A 103 14.293 -1.981 -6.777 1.00 4.14 H new ATOM 0 HB2 SER A 103 12.712 -4.331 -7.931 1.00 1.23 H new ATOM 0 HB3 SER A 103 12.540 -2.641 -8.362 1.00 1.23 H new ATOM 0 HG SER A 103 13.825 -3.814 -9.901 1.00 32.00 H new ATOM 1712 N ALA A 104 13.224 -3.091 -4.352 1.00 20.40 N ATOM 1713 CA ALA A 104 12.294 -3.133 -3.207 1.00 13.42 C ATOM 1714 C ALA A 104 11.251 -2.002 -3.248 1.00 23.33 C ATOM 1715 O ALA A 104 10.055 -2.254 -3.411 1.00 72.52 O ATOM 1716 CB ALA A 104 13.076 -3.073 -1.898 1.00 13.21 C ATOM 0 H ALA A 104 14.208 -3.145 -4.090 1.00 20.40 H new ATOM 0 HA ALA A 104 11.749 -4.074 -3.272 1.00 13.42 H new ATOM 0 HB1 ALA A 104 12.382 -3.104 -1.058 1.00 13.21 H new ATOM 0 HB2 ALA A 104 13.755 -3.924 -1.840 1.00 13.21 H new ATOM 0 HB3 ALA A 104 13.651 -2.148 -1.860 1.00 13.21 H new ATOM 1722 N ALA A 105 11.720 -0.760 -3.115 1.00 21.14 N ATOM 1723 CA ALA A 105 10.843 0.421 -3.082 1.00 54.45 C ATOM 1724 C ALA A 105 9.865 0.457 -4.268 1.00 71.41 C ATOM 1725 O ALA A 105 8.659 0.633 -4.090 1.00 40.03 O ATOM 1726 CB ALA A 105 11.689 1.691 -3.062 1.00 63.03 C ATOM 0 H ALA A 105 12.712 -0.541 -3.027 1.00 21.14 H new ATOM 0 HA ALA A 105 10.244 0.359 -2.173 1.00 54.45 H new ATOM 0 HB1 ALA A 105 11.036 2.563 -3.038 1.00 63.03 H new ATOM 0 HB2 ALA A 105 12.326 1.690 -2.177 1.00 63.03 H new ATOM 0 HB3 ALA A 105 12.311 1.728 -3.957 1.00 63.03 H new ATOM 1732 N PHE A 106 10.397 0.278 -5.475 1.00 12.02 N ATOM 1733 CA PHE A 106 9.585 0.315 -6.696 1.00 62.15 C ATOM 1734 C PHE A 106 8.485 -0.761 -6.681 1.00 15.25 C ATOM 1735 O PHE A 106 7.341 -0.498 -7.061 1.00 4.13 O ATOM 1736 CB PHE A 106 10.487 0.136 -7.928 1.00 22.22 C ATOM 1737 CG PHE A 106 9.777 0.357 -9.242 1.00 11.04 C ATOM 1738 CD1 PHE A 106 9.458 1.642 -9.666 1.00 11.01 C ATOM 1739 CD2 PHE A 106 9.423 -0.716 -10.053 1.00 40.32 C ATOM 1740 CE1 PHE A 106 8.806 1.852 -10.866 1.00 55.20 C ATOM 1741 CE2 PHE A 106 8.770 -0.508 -11.254 1.00 10.44 C ATOM 1742 CZ PHE A 106 8.460 0.776 -11.660 1.00 70.05 C ATOM 0 H PHE A 106 11.389 0.105 -5.637 1.00 12.02 H new ATOM 0 HA PHE A 106 9.093 1.287 -6.743 1.00 62.15 H new ATOM 0 HB2 PHE A 106 11.324 0.830 -7.857 1.00 22.22 H new ATOM 0 HB3 PHE A 106 10.905 -0.870 -7.917 1.00 22.22 H new ATOM 0 HD1 PHE A 106 9.723 2.488 -9.049 1.00 11.01 H new ATOM 0 HD2 PHE A 106 9.661 -1.722 -9.741 1.00 40.32 H new ATOM 0 HE1 PHE A 106 8.567 2.856 -11.183 1.00 55.20 H new ATOM 0 HE2 PHE A 106 8.502 -1.350 -11.875 1.00 10.44 H new ATOM 0 HZ PHE A 106 7.948 0.938 -12.597 1.00 70.05 H new ATOM 1752 N THR A 107 8.833 -1.968 -6.226 1.00 72.14 N ATOM 1753 CA THR A 107 7.877 -3.086 -6.187 1.00 22.15 C ATOM 1754 C THR A 107 6.783 -2.857 -5.137 1.00 45.30 C ATOM 1755 O THR A 107 5.597 -3.037 -5.418 1.00 3.45 O ATOM 1756 CB THR A 107 8.580 -4.434 -5.893 1.00 1.33 C ATOM 1757 OG1 THR A 107 9.592 -4.690 -6.878 1.00 25.33 O ATOM 1758 CG2 THR A 107 7.579 -5.587 -5.891 1.00 72.12 C ATOM 0 H THR A 107 9.764 -2.199 -5.880 1.00 72.14 H new ATOM 0 HA THR A 107 7.422 -3.131 -7.176 1.00 22.15 H new ATOM 0 HB THR A 107 9.036 -4.363 -4.906 1.00 1.33 H new ATOM 0 HG1 THR A 107 10.370 -4.121 -6.703 1.00 25.33 H new ATOM 0 HG21 THR A 107 8.100 -6.521 -5.682 1.00 72.12 H new ATOM 0 HG22 THR A 107 6.825 -5.413 -5.124 1.00 72.12 H new ATOM 0 HG23 THR A 107 7.096 -5.651 -6.866 1.00 72.12 H new ATOM 1766 N LEU A 108 7.182 -2.462 -3.925 1.00 1.12 N ATOM 1767 CA LEU A 108 6.217 -2.164 -2.857 1.00 54.24 C ATOM 1768 C LEU A 108 5.234 -1.072 -3.303 1.00 42.43 C ATOM 1769 O LEU A 108 4.027 -1.171 -3.072 1.00 62.14 O ATOM 1770 CB LEU A 108 6.942 -1.723 -1.578 1.00 41.52 C ATOM 1771 CG LEU A 108 7.877 -2.770 -0.954 1.00 51.33 C ATOM 1772 CD1 LEU A 108 8.530 -2.222 0.312 1.00 63.25 C ATOM 1773 CD2 LEU A 108 7.119 -4.063 -0.656 1.00 20.43 C ATOM 0 H LEU A 108 8.159 -2.341 -3.657 1.00 1.12 H new ATOM 0 HA LEU A 108 5.657 -3.075 -2.647 1.00 54.24 H new ATOM 0 HB2 LEU A 108 7.524 -0.829 -1.801 1.00 41.52 H new ATOM 0 HB3 LEU A 108 6.195 -1.441 -0.836 1.00 41.52 H new ATOM 0 HG LEU A 108 8.664 -2.996 -1.673 1.00 51.33 H new ATOM 0 HD11 LEU A 108 9.188 -2.979 0.739 1.00 63.25 H new ATOM 0 HD12 LEU A 108 9.111 -1.333 0.066 1.00 63.25 H new ATOM 0 HD13 LEU A 108 7.758 -1.962 1.036 1.00 63.25 H new ATOM 0 HD21 LEU A 108 7.800 -4.791 -0.215 1.00 20.43 H new ATOM 0 HD22 LEU A 108 6.307 -3.856 0.041 1.00 20.43 H new ATOM 0 HD23 LEU A 108 6.708 -4.466 -1.582 1.00 20.43 H new ATOM 1785 N ARG A 109 5.771 -0.036 -3.948 1.00 22.12 N ATOM 1786 CA ARG A 109 4.959 1.028 -4.548 1.00 61.04 C ATOM 1787 C ARG A 109 3.880 0.445 -5.477 1.00 3.23 C ATOM 1788 O ARG A 109 2.709 0.827 -5.410 1.00 60.55 O ATOM 1789 CB ARG A 109 5.868 1.979 -5.341 1.00 1.31 C ATOM 1790 CG ARG A 109 5.123 3.090 -6.083 1.00 54.34 C ATOM 1791 CD ARG A 109 5.706 3.335 -7.474 1.00 3.53 C ATOM 1792 NE ARG A 109 5.526 2.174 -8.351 1.00 21.55 N ATOM 1793 CZ ARG A 109 4.826 2.187 -9.456 1.00 5.14 C ATOM 1794 NH1 ARG A 109 4.286 3.286 -9.883 1.00 44.11 N ATOM 1795 NH2 ARG A 109 4.673 1.107 -10.146 1.00 63.21 N ATOM 0 H ARG A 109 6.776 0.091 -4.070 1.00 22.12 H new ATOM 0 HA ARG A 109 4.459 1.574 -3.748 1.00 61.04 H new ATOM 0 HB2 ARG A 109 6.585 2.433 -4.656 1.00 1.31 H new ATOM 0 HB3 ARG A 109 6.441 1.397 -6.063 1.00 1.31 H new ATOM 0 HG2 ARG A 109 4.070 2.824 -6.172 1.00 54.34 H new ATOM 0 HG3 ARG A 109 5.171 4.011 -5.502 1.00 54.34 H new ATOM 0 HD2 ARG A 109 5.227 4.206 -7.921 1.00 3.53 H new ATOM 0 HD3 ARG A 109 6.768 3.565 -7.388 1.00 3.53 H new ATOM 0 HE ARG A 109 5.976 1.299 -8.082 1.00 21.55 H new ATOM 0 HH11 ARG A 109 4.405 4.151 -9.356 1.00 44.11 H new ATOM 0 HH12 ARG A 109 3.742 3.285 -10.746 1.00 44.11 H new ATOM 0 HH21 ARG A 109 5.099 0.236 -9.831 1.00 63.21 H new ATOM 0 HH22 ARG A 109 4.126 1.125 -11.007 1.00 63.21 H new ATOM 1809 N THR A 110 4.290 -0.480 -6.342 1.00 43.54 N ATOM 1810 CA THR A 110 3.381 -1.111 -7.309 1.00 21.04 C ATOM 1811 C THR A 110 2.316 -1.973 -6.618 1.00 44.44 C ATOM 1812 O THR A 110 1.121 -1.823 -6.876 1.00 54.10 O ATOM 1813 CB THR A 110 4.159 -1.992 -8.318 1.00 12.35 C ATOM 1814 OG1 THR A 110 5.164 -1.208 -8.975 1.00 24.03 O ATOM 1815 CG2 THR A 110 3.224 -2.604 -9.359 1.00 22.45 C ATOM 0 H THR A 110 5.252 -0.814 -6.396 1.00 43.54 H new ATOM 0 HA THR A 110 2.886 -0.298 -7.839 1.00 21.04 H new ATOM 0 HB THR A 110 4.629 -2.804 -7.763 1.00 12.35 H new ATOM 0 HG1 THR A 110 5.863 -0.967 -8.332 1.00 24.03 H new ATOM 0 HG21 THR A 110 3.802 -3.216 -10.052 1.00 22.45 H new ATOM 0 HG22 THR A 110 2.480 -3.225 -8.860 1.00 22.45 H new ATOM 0 HG23 THR A 110 2.722 -1.808 -9.910 1.00 22.45 H new ATOM 1823 N GLN A 111 2.748 -2.877 -5.739 1.00 22.12 N ATOM 1824 CA GLN A 111 1.823 -3.772 -5.032 1.00 54.45 C ATOM 1825 C GLN A 111 0.793 -2.983 -4.207 1.00 53.14 C ATOM 1826 O GLN A 111 -0.401 -3.307 -4.207 1.00 42.35 O ATOM 1827 CB GLN A 111 2.602 -4.743 -4.132 1.00 43.52 C ATOM 1828 CG GLN A 111 3.555 -5.660 -4.902 1.00 61.52 C ATOM 1829 CD GLN A 111 2.850 -6.538 -5.932 1.00 31.03 C ATOM 1830 OE1 GLN A 111 1.612 -6.912 -5.666 1.00 32.10 O flip ATOM 1831 NE2 GLN A 111 3.417 -6.888 -6.961 1.00 75.10 N flip ATOM 0 H GLN A 111 3.730 -3.011 -5.498 1.00 22.12 H new ATOM 0 HA GLN A 111 1.277 -4.345 -5.781 1.00 54.45 H new ATOM 0 HB2 GLN A 111 3.173 -4.170 -3.402 1.00 43.52 H new ATOM 0 HB3 GLN A 111 1.894 -5.355 -3.573 1.00 43.52 H new ATOM 0 HG2 GLN A 111 4.305 -5.051 -5.407 1.00 61.52 H new ATOM 0 HG3 GLN A 111 4.085 -6.297 -4.194 1.00 61.52 H new ATOM 0 HE21 GLN A 111 4.374 -6.586 -7.144 1.00 75.10 H new ATOM 0 HE22 GLN A 111 2.932 -7.481 -7.634 1.00 75.10 H new ATOM 1840 N TYR A 112 1.257 -1.946 -3.512 1.00 53.12 N ATOM 1841 CA TYR A 112 0.365 -1.042 -2.781 1.00 75.42 C ATOM 1842 C TYR A 112 -0.612 -0.365 -3.755 1.00 52.00 C ATOM 1843 O TYR A 112 -1.815 -0.289 -3.502 1.00 64.41 O ATOM 1844 CB TYR A 112 1.196 0.016 -2.035 1.00 63.02 C ATOM 1845 CG TYR A 112 0.397 0.895 -1.082 1.00 4.14 C ATOM 1846 CD1 TYR A 112 -0.273 2.030 -1.532 1.00 72.51 C ATOM 1847 CD2 TYR A 112 0.326 0.592 0.273 1.00 41.54 C ATOM 1848 CE1 TYR A 112 -0.985 2.834 -0.660 1.00 65.41 C ATOM 1849 CE2 TYR A 112 -0.387 1.389 1.148 1.00 61.21 C ATOM 1850 CZ TYR A 112 -1.040 2.510 0.678 1.00 51.14 C ATOM 1851 OH TYR A 112 -1.741 3.307 1.553 1.00 2.51 O ATOM 0 H TYR A 112 2.246 -1.709 -3.438 1.00 53.12 H new ATOM 0 HA TYR A 112 -0.211 -1.616 -2.054 1.00 75.42 H new ATOM 0 HB2 TYR A 112 1.980 -0.489 -1.471 1.00 63.02 H new ATOM 0 HB3 TYR A 112 1.690 0.654 -2.768 1.00 63.02 H new ATOM 0 HD1 TYR A 112 -0.236 2.287 -2.580 1.00 72.51 H new ATOM 0 HD2 TYR A 112 0.837 -0.282 0.648 1.00 41.54 H new ATOM 0 HE1 TYR A 112 -1.496 3.712 -1.027 1.00 65.41 H new ATOM 0 HE2 TYR A 112 -0.433 1.135 2.197 1.00 61.21 H new ATOM 0 HH TYR A 112 -1.953 4.160 1.120 1.00 2.51 H new ATOM 1861 N MET A 113 -0.077 0.093 -4.883 1.00 33.23 N ATOM 1862 CA MET A 113 -0.865 0.777 -5.913 1.00 62.31 C ATOM 1863 C MET A 113 -1.933 -0.146 -6.530 1.00 42.11 C ATOM 1864 O MET A 113 -2.976 0.314 -6.997 1.00 31.20 O ATOM 1865 CB MET A 113 0.075 1.309 -7.001 1.00 32.10 C ATOM 1866 CG MET A 113 -0.596 2.192 -8.043 1.00 42.02 C ATOM 1867 SD MET A 113 0.605 2.958 -9.152 1.00 71.12 S ATOM 1868 CE MET A 113 1.669 3.774 -7.960 1.00 22.20 C ATOM 0 H MET A 113 0.913 0.003 -5.112 1.00 33.23 H new ATOM 0 HA MET A 113 -1.393 1.606 -5.442 1.00 62.31 H new ATOM 0 HB2 MET A 113 0.876 1.875 -6.525 1.00 32.10 H new ATOM 0 HB3 MET A 113 0.540 0.463 -7.506 1.00 32.10 H new ATOM 0 HG2 MET A 113 -1.299 1.596 -8.625 1.00 42.02 H new ATOM 0 HG3 MET A 113 -1.174 2.968 -7.542 1.00 42.02 H new ATOM 0 HE1 MET A 113 2.370 4.425 -8.483 1.00 22.20 H new ATOM 0 HE2 MET A 113 1.062 4.369 -7.277 1.00 22.20 H new ATOM 0 HE3 MET A 113 2.223 3.025 -7.394 1.00 22.20 H new ATOM 1878 N LYS A 114 -1.669 -1.449 -6.532 1.00 2.33 N ATOM 1879 CA LYS A 114 -2.630 -2.424 -7.056 1.00 35.21 C ATOM 1880 C LYS A 114 -3.737 -2.745 -6.039 1.00 21.04 C ATOM 1881 O LYS A 114 -4.922 -2.733 -6.380 1.00 73.30 O ATOM 1882 CB LYS A 114 -1.917 -3.723 -7.465 1.00 45.44 C ATOM 1883 CG LYS A 114 -0.965 -3.568 -8.650 1.00 74.24 C ATOM 1884 CD LYS A 114 -0.355 -4.906 -9.070 1.00 14.41 C ATOM 1885 CE LYS A 114 -1.424 -5.916 -9.472 1.00 22.44 C ATOM 1886 NZ LYS A 114 -0.830 -7.186 -9.961 1.00 12.10 N ATOM 0 H LYS A 114 -0.803 -1.857 -6.179 1.00 2.33 H new ATOM 0 HA LYS A 114 -3.095 -1.972 -7.932 1.00 35.21 H new ATOM 0 HB2 LYS A 114 -1.357 -4.101 -6.610 1.00 45.44 H new ATOM 0 HB3 LYS A 114 -2.667 -4.474 -7.712 1.00 45.44 H new ATOM 0 HG2 LYS A 114 -1.502 -3.133 -9.493 1.00 74.24 H new ATOM 0 HG3 LYS A 114 -0.168 -2.872 -8.387 1.00 74.24 H new ATOM 0 HD2 LYS A 114 0.328 -4.748 -9.905 1.00 14.41 H new ATOM 0 HD3 LYS A 114 0.236 -5.310 -8.248 1.00 14.41 H new ATOM 0 HE2 LYS A 114 -2.068 -6.122 -8.617 1.00 22.44 H new ATOM 0 HE3 LYS A 114 -2.055 -5.487 -10.251 1.00 22.44 H new ATOM 0 HZ1 LYS A 114 -1.590 -7.846 -10.224 1.00 12.10 H new ATOM 0 HZ2 LYS A 114 -0.235 -6.994 -10.792 1.00 12.10 H new ATOM 0 HZ3 LYS A 114 -0.249 -7.609 -9.210 1.00 12.10 H new ATOM 1900 N TYR A 115 -3.354 -3.029 -4.793 1.00 62.31 N ATOM 1901 CA TYR A 115 -4.311 -3.532 -3.796 1.00 31.34 C ATOM 1902 C TYR A 115 -4.801 -2.452 -2.809 1.00 54.05 C ATOM 1903 O TYR A 115 -6.005 -2.277 -2.616 1.00 3.21 O ATOM 1904 CB TYR A 115 -3.681 -4.695 -3.012 1.00 4.31 C ATOM 1905 CG TYR A 115 -3.217 -5.864 -3.877 1.00 35.41 C ATOM 1906 CD1 TYR A 115 -3.846 -6.172 -5.084 1.00 61.52 C ATOM 1907 CD2 TYR A 115 -2.155 -6.668 -3.475 1.00 54.32 C ATOM 1908 CE1 TYR A 115 -3.429 -7.246 -5.855 1.00 24.32 C ATOM 1909 CE2 TYR A 115 -1.735 -7.740 -4.242 1.00 74.01 C ATOM 1910 CZ TYR A 115 -2.373 -8.024 -5.430 1.00 32.21 C ATOM 1911 OH TYR A 115 -1.958 -9.094 -6.194 1.00 52.33 O ATOM 0 H TYR A 115 -2.400 -2.922 -4.449 1.00 62.31 H new ATOM 0 HA TYR A 115 -5.186 -3.868 -4.352 1.00 31.34 H new ATOM 0 HB2 TYR A 115 -2.829 -4.316 -2.448 1.00 4.31 H new ATOM 0 HB3 TYR A 115 -4.406 -5.062 -2.286 1.00 4.31 H new ATOM 0 HD1 TYR A 115 -4.671 -5.564 -5.423 1.00 61.52 H new ATOM 0 HD2 TYR A 115 -1.649 -6.451 -2.546 1.00 54.32 H new ATOM 0 HE1 TYR A 115 -3.929 -7.472 -6.785 1.00 24.32 H new ATOM 0 HE2 TYR A 115 -0.910 -8.353 -3.911 1.00 74.01 H new ATOM 0 HH TYR A 115 -2.032 -9.919 -5.670 1.00 52.33 H new ATOM 1921 N LEU A 116 -3.874 -1.723 -2.195 1.00 2.10 N ATOM 1922 CA LEU A 116 -4.218 -0.811 -1.091 1.00 23.31 C ATOM 1923 C LEU A 116 -4.544 0.616 -1.573 1.00 63.25 C ATOM 1924 O LEU A 116 -5.130 1.406 -0.836 1.00 5.11 O ATOM 1925 CB LEU A 116 -3.075 -0.790 -0.067 1.00 64.14 C ATOM 1926 CG LEU A 116 -2.777 -2.148 0.597 1.00 14.31 C ATOM 1927 CD1 LEU A 116 -1.537 -2.068 1.480 1.00 4.42 C ATOM 1928 CD2 LEU A 116 -3.981 -2.630 1.404 1.00 64.41 C ATOM 0 H LEU A 116 -2.883 -1.740 -2.436 1.00 2.10 H new ATOM 0 HA LEU A 116 -5.126 -1.191 -0.623 1.00 23.31 H new ATOM 0 HB2 LEU A 116 -2.170 -0.437 -0.561 1.00 64.14 H new ATOM 0 HB3 LEU A 116 -3.317 -0.066 0.711 1.00 64.14 H new ATOM 0 HG LEU A 116 -2.580 -2.871 -0.194 1.00 14.31 H new ATOM 0 HD11 LEU A 116 -1.351 -3.041 1.935 1.00 4.42 H new ATOM 0 HD12 LEU A 116 -0.677 -1.781 0.875 1.00 4.42 H new ATOM 0 HD13 LEU A 116 -1.695 -1.325 2.262 1.00 4.42 H new ATOM 0 HD21 LEU A 116 -3.749 -3.590 1.865 1.00 64.41 H new ATOM 0 HD22 LEU A 116 -4.213 -1.902 2.181 1.00 64.41 H new ATOM 0 HD23 LEU A 116 -4.841 -2.742 0.743 1.00 64.41 H new ATOM 1940 N TYR A 117 -4.177 0.928 -2.813 1.00 71.43 N ATOM 1941 CA TYR A 117 -4.460 2.242 -3.419 1.00 62.32 C ATOM 1942 C TYR A 117 -5.957 2.634 -3.341 1.00 75.55 C ATOM 1943 O TYR A 117 -6.287 3.716 -2.851 1.00 13.30 O ATOM 1944 CB TYR A 117 -3.948 2.252 -4.871 1.00 23.03 C ATOM 1945 CG TYR A 117 -4.532 3.331 -5.766 1.00 73.41 C ATOM 1946 CD1 TYR A 117 -4.111 4.656 -5.678 1.00 71.15 C ATOM 1947 CD2 TYR A 117 -5.498 3.013 -6.715 1.00 43.43 C ATOM 1948 CE1 TYR A 117 -4.640 5.627 -6.511 1.00 11.23 C ATOM 1949 CE2 TYR A 117 -6.025 3.975 -7.550 1.00 42.31 C ATOM 1950 CZ TYR A 117 -5.596 5.279 -7.444 1.00 62.41 C ATOM 1951 OH TYR A 117 -6.117 6.237 -8.284 1.00 70.40 O ATOM 0 H TYR A 117 -3.678 0.287 -3.429 1.00 71.43 H new ATOM 0 HA TYR A 117 -3.930 3.000 -2.841 1.00 62.32 H new ATOM 0 HB2 TYR A 117 -2.864 2.367 -4.854 1.00 23.03 H new ATOM 0 HB3 TYR A 117 -4.159 1.281 -5.318 1.00 23.03 H new ATOM 0 HD1 TYR A 117 -3.362 4.929 -4.950 1.00 71.15 H new ATOM 0 HD2 TYR A 117 -5.842 1.993 -6.799 1.00 43.43 H new ATOM 0 HE1 TYR A 117 -4.307 6.651 -6.431 1.00 11.23 H new ATOM 0 HE2 TYR A 117 -6.771 3.707 -8.284 1.00 42.31 H new ATOM 0 HH TYR A 117 -7.096 6.189 -8.267 1.00 70.40 H new ATOM 1961 N PRO A 118 -6.896 1.773 -3.809 1.00 40.22 N ATOM 1962 CA PRO A 118 -8.335 2.086 -3.731 1.00 65.52 C ATOM 1963 C PRO A 118 -8.835 2.138 -2.278 1.00 64.24 C ATOM 1964 O PRO A 118 -9.685 2.963 -1.922 1.00 55.45 O ATOM 1965 CB PRO A 118 -8.997 0.929 -4.500 1.00 43.11 C ATOM 1966 CG PRO A 118 -8.014 -0.190 -4.419 1.00 73.33 C ATOM 1967 CD PRO A 118 -6.654 0.456 -4.436 1.00 41.21 C ATOM 0 HA PRO A 118 -8.567 3.067 -4.145 1.00 65.52 H new ATOM 0 HB2 PRO A 118 -9.951 0.651 -4.053 1.00 43.11 H new ATOM 0 HB3 PRO A 118 -9.198 1.205 -5.535 1.00 43.11 H new ATOM 0 HG2 PRO A 118 -8.159 -0.772 -3.509 1.00 73.33 H new ATOM 0 HG3 PRO A 118 -8.132 -0.875 -5.258 1.00 73.33 H new ATOM 0 HD2 PRO A 118 -5.924 -0.128 -3.876 1.00 41.21 H new ATOM 0 HD3 PRO A 118 -6.270 0.558 -5.451 1.00 41.21 H new ATOM 1975 N TYR A 119 -8.281 1.263 -1.441 1.00 45.31 N ATOM 1976 CA TYR A 119 -8.664 1.175 -0.031 1.00 54.43 C ATOM 1977 C TYR A 119 -8.263 2.449 0.736 1.00 62.20 C ATOM 1978 O TYR A 119 -9.022 2.937 1.574 1.00 50.42 O ATOM 1979 CB TYR A 119 -8.018 -0.063 0.604 1.00 73.23 C ATOM 1980 CG TYR A 119 -8.524 -0.386 1.999 1.00 74.50 C ATOM 1981 CD1 TYR A 119 -9.773 -0.970 2.189 1.00 42.20 C ATOM 1982 CD2 TYR A 119 -7.756 -0.109 3.123 1.00 13.24 C ATOM 1983 CE1 TYR A 119 -10.239 -1.264 3.458 1.00 10.44 C ATOM 1984 CE2 TYR A 119 -8.215 -0.400 4.391 1.00 73.24 C ATOM 1985 CZ TYR A 119 -9.455 -0.979 4.555 1.00 33.24 C ATOM 1986 OH TYR A 119 -9.913 -1.266 5.822 1.00 3.52 O ATOM 0 H TYR A 119 -7.558 0.598 -1.717 1.00 45.31 H new ATOM 0 HA TYR A 119 -9.748 1.083 0.028 1.00 54.43 H new ATOM 0 HB2 TYR A 119 -8.195 -0.923 -0.042 1.00 73.23 H new ATOM 0 HB3 TYR A 119 -6.939 0.086 0.647 1.00 73.23 H new ATOM 0 HD1 TYR A 119 -10.389 -1.197 1.331 1.00 42.20 H new ATOM 0 HD2 TYR A 119 -6.782 0.342 3.002 1.00 13.24 H new ATOM 0 HE1 TYR A 119 -11.212 -1.714 3.588 1.00 10.44 H new ATOM 0 HE2 TYR A 119 -7.604 -0.175 5.253 1.00 73.24 H new ATOM 0 HH TYR A 119 -9.197 -1.688 6.341 1.00 3.52 H new ATOM 1996 N GLU A 120 -7.077 2.989 0.438 1.00 10.15 N ATOM 1997 CA GLU A 120 -6.619 4.243 1.059 1.00 14.11 C ATOM 1998 C GLU A 120 -7.615 5.378 0.790 1.00 54.44 C ATOM 1999 O GLU A 120 -8.141 5.990 1.719 1.00 73.14 O ATOM 2000 CB GLU A 120 -5.235 4.652 0.525 1.00 70.24 C ATOM 2001 CG GLU A 120 -4.708 5.955 1.136 1.00 43.54 C ATOM 2002 CD GLU A 120 -3.507 6.527 0.392 1.00 13.12 C ATOM 2003 OE1 GLU A 120 -2.441 5.878 0.391 1.00 54.22 O ATOM 2004 OE2 GLU A 120 -3.633 7.630 -0.193 1.00 24.15 O ATOM 0 H GLU A 120 -6.417 2.583 -0.225 1.00 10.15 H new ATOM 0 HA GLU A 120 -6.550 4.068 2.133 1.00 14.11 H new ATOM 0 HB2 GLU A 120 -4.524 3.851 0.728 1.00 70.24 H new ATOM 0 HB3 GLU A 120 -5.290 4.763 -0.558 1.00 70.24 H new ATOM 0 HG2 GLU A 120 -5.508 6.695 1.143 1.00 43.54 H new ATOM 0 HG3 GLU A 120 -4.431 5.775 2.175 1.00 43.54 H new ATOM 2011 N CYS A 121 -7.874 5.641 -0.489 1.00 74.21 N ATOM 2012 CA CYS A 121 -8.806 6.702 -0.903 1.00 43.03 C ATOM 2013 C CYS A 121 -10.204 6.516 -0.289 1.00 22.32 C ATOM 2014 O CYS A 121 -10.926 7.486 -0.060 1.00 33.30 O ATOM 2015 CB CYS A 121 -8.919 6.746 -2.432 1.00 63.15 C ATOM 2016 SG CYS A 121 -10.049 8.015 -3.057 1.00 40.01 S ATOM 0 H CYS A 121 -7.451 5.133 -1.266 1.00 74.21 H new ATOM 0 HA CYS A 121 -8.401 7.645 -0.536 1.00 43.03 H new ATOM 0 HB2 CYS A 121 -7.929 6.918 -2.853 1.00 63.15 H new ATOM 0 HB3 CYS A 121 -9.252 5.771 -2.789 1.00 63.15 H new ATOM 0 HG CYS A 121 -10.875 8.362 -2.115 1.00 40.01 H new ATOM 2022 N GLU A 122 -10.576 5.267 -0.026 1.00 53.32 N ATOM 2023 CA GLU A 122 -11.889 4.945 0.549 1.00 13.11 C ATOM 2024 C GLU A 122 -11.929 5.136 2.080 1.00 13.23 C ATOM 2025 O GLU A 122 -12.789 5.842 2.605 1.00 41.21 O ATOM 2026 CB GLU A 122 -12.261 3.501 0.182 1.00 22.42 C ATOM 2027 CG GLU A 122 -13.498 2.953 0.895 1.00 62.43 C ATOM 2028 CD GLU A 122 -14.743 3.811 0.713 1.00 33.55 C ATOM 2029 OE1 GLU A 122 -15.239 3.922 -0.427 1.00 64.12 O ATOM 2030 OE2 GLU A 122 -15.245 4.356 1.720 1.00 51.10 O ATOM 0 H GLU A 122 -9.987 4.453 -0.201 1.00 53.32 H new ATOM 0 HA GLU A 122 -12.616 5.640 0.129 1.00 13.11 H new ATOM 0 HB2 GLU A 122 -12.426 3.446 -0.894 1.00 22.42 H new ATOM 0 HB3 GLU A 122 -11.413 2.854 0.408 1.00 22.42 H new ATOM 0 HG2 GLU A 122 -13.703 1.948 0.526 1.00 62.43 H new ATOM 0 HG3 GLU A 122 -13.282 2.863 1.960 1.00 62.43 H new ATOM 2037 N LYS A 123 -11.012 4.491 2.795 1.00 41.10 N ATOM 2038 CA LYS A 123 -11.026 4.499 4.267 1.00 63.44 C ATOM 2039 C LYS A 123 -10.221 5.664 4.870 1.00 11.25 C ATOM 2040 O LYS A 123 -10.188 5.826 6.088 1.00 35.23 O ATOM 2041 CB LYS A 123 -10.490 3.163 4.798 1.00 61.23 C ATOM 2042 CG LYS A 123 -11.313 1.947 4.374 1.00 22.14 C ATOM 2043 CD LYS A 123 -12.625 1.792 5.164 1.00 41.43 C ATOM 2044 CE LYS A 123 -13.866 2.062 4.311 1.00 14.32 C ATOM 2045 NZ LYS A 123 -14.105 3.516 4.097 1.00 70.34 N ATOM 0 H LYS A 123 -10.247 3.954 2.386 1.00 41.10 H new ATOM 0 HA LYS A 123 -12.062 4.639 4.575 1.00 63.44 H new ATOM 0 HB2 LYS A 123 -9.464 3.032 4.453 1.00 61.23 H new ATOM 0 HB3 LYS A 123 -10.457 3.204 5.887 1.00 61.23 H new ATOM 0 HG2 LYS A 123 -11.544 2.026 3.312 1.00 22.14 H new ATOM 0 HG3 LYS A 123 -10.711 1.047 4.503 1.00 22.14 H new ATOM 0 HD2 LYS A 123 -12.682 0.782 5.571 1.00 41.43 H new ATOM 0 HD3 LYS A 123 -12.616 2.477 6.012 1.00 41.43 H new ATOM 0 HE2 LYS A 123 -13.753 1.570 3.345 1.00 14.32 H new ATOM 0 HE3 LYS A 123 -14.738 1.621 4.794 1.00 14.32 H new ATOM 0 HZ1 LYS A 123 -14.872 3.644 3.406 1.00 70.34 H new ATOM 0 HZ2 LYS A 123 -14.373 3.960 4.998 1.00 70.34 H new ATOM 0 HZ3 LYS A 123 -13.237 3.961 3.737 1.00 70.34 H new ATOM 2059 N ARG A 124 -9.571 6.473 4.030 1.00 2.54 N ATOM 2060 CA ARG A 124 -8.766 7.604 4.526 1.00 44.45 C ATOM 2061 C ARG A 124 -8.869 8.826 3.593 1.00 1.54 C ATOM 2062 O ARG A 124 -9.314 9.899 4.005 1.00 54.45 O ATOM 2063 CB ARG A 124 -7.288 7.179 4.688 1.00 32.04 C ATOM 2064 CG ARG A 124 -6.657 7.588 6.022 1.00 64.14 C ATOM 2065 CD ARG A 124 -6.753 9.090 6.274 1.00 35.35 C ATOM 2066 NE ARG A 124 -6.154 9.474 7.551 1.00 51.43 N ATOM 2067 CZ ARG A 124 -6.000 10.709 7.948 1.00 13.32 C ATOM 2068 NH1 ARG A 124 -6.364 11.696 7.192 1.00 62.20 N ATOM 2069 NH2 ARG A 124 -5.469 10.953 9.102 1.00 62.14 N ATOM 0 H ARG A 124 -9.582 6.373 3.015 1.00 2.54 H new ATOM 0 HA ARG A 124 -9.164 7.893 5.499 1.00 44.45 H new ATOM 0 HB2 ARG A 124 -7.220 6.096 4.584 1.00 32.04 H new ATOM 0 HB3 ARG A 124 -6.706 7.614 3.876 1.00 32.04 H new ATOM 0 HG2 ARG A 124 -7.151 7.054 6.834 1.00 64.14 H new ATOM 0 HG3 ARG A 124 -5.610 7.287 6.033 1.00 64.14 H new ATOM 0 HD2 ARG A 124 -6.255 9.625 5.465 1.00 35.35 H new ATOM 0 HD3 ARG A 124 -7.800 9.393 6.260 1.00 35.35 H new ATOM 0 HE ARG A 124 -5.836 8.730 8.172 1.00 51.43 H new ATOM 0 HH11 ARG A 124 -6.775 11.513 6.277 1.00 62.20 H new ATOM 0 HH12 ARG A 124 -6.239 12.656 7.512 1.00 62.20 H new ATOM 0 HH21 ARG A 124 -5.172 10.182 9.700 1.00 62.14 H new ATOM 0 HH22 ARG A 124 -5.348 11.916 9.414 1.00 62.14 H new ATOM 2083 N GLY A 125 -8.445 8.659 2.344 1.00 54.24 N ATOM 2084 CA GLY A 125 -8.469 9.759 1.383 1.00 50.33 C ATOM 2085 C GLY A 125 -7.311 10.735 1.572 1.00 74.54 C ATOM 2086 O GLY A 125 -7.513 11.884 1.974 1.00 52.31 O ATOM 0 H GLY A 125 -8.083 7.780 1.975 1.00 54.24 H new ATOM 0 HA2 GLY A 125 -8.435 9.353 0.372 1.00 50.33 H new ATOM 0 HA3 GLY A 125 -9.412 10.298 1.478 1.00 50.33 H new ATOM 2090 N LEU A 126 -6.093 10.275 1.295 1.00 21.42 N ATOM 2091 CA LEU A 126 -4.889 11.098 1.470 1.00 64.11 C ATOM 2092 C LEU A 126 -4.396 11.696 0.140 1.00 21.52 C ATOM 2093 O LEU A 126 -3.933 12.840 0.093 1.00 44.42 O ATOM 2094 CB LEU A 126 -3.775 10.251 2.103 1.00 1.44 C ATOM 2095 CG LEU A 126 -4.053 9.773 3.540 1.00 20.22 C ATOM 2096 CD1 LEU A 126 -2.987 8.783 4.006 1.00 5.42 C ATOM 2097 CD2 LEU A 126 -4.133 10.963 4.494 1.00 1.25 C ATOM 0 H LEU A 126 -5.909 9.334 0.947 1.00 21.42 H new ATOM 0 HA LEU A 126 -5.148 11.929 2.126 1.00 64.11 H new ATOM 0 HB2 LEU A 126 -3.602 9.378 1.474 1.00 1.44 H new ATOM 0 HB3 LEU A 126 -2.853 10.833 2.102 1.00 1.44 H new ATOM 0 HG LEU A 126 -5.014 9.259 3.544 1.00 20.22 H new ATOM 0 HD11 LEU A 126 -3.209 8.462 5.024 1.00 5.42 H new ATOM 0 HD12 LEU A 126 -2.982 7.916 3.345 1.00 5.42 H new ATOM 0 HD13 LEU A 126 -2.009 9.263 3.982 1.00 5.42 H new ATOM 0 HD21 LEU A 126 -4.330 10.606 5.505 1.00 1.25 H new ATOM 0 HD22 LEU A 126 -3.188 11.506 4.479 1.00 1.25 H new ATOM 0 HD23 LEU A 126 -4.938 11.627 4.180 1.00 1.25 H new ATOM 2109 N SER A 127 -4.495 10.922 -0.938 1.00 61.05 N ATOM 2110 CA SER A 127 -3.944 11.339 -2.235 1.00 43.23 C ATOM 2111 C SER A 127 -4.982 11.296 -3.371 1.00 75.33 C ATOM 2112 O SER A 127 -6.096 10.785 -3.209 1.00 72.20 O ATOM 2113 CB SER A 127 -2.754 10.444 -2.597 1.00 3.54 C ATOM 2114 OG SER A 127 -3.145 9.087 -2.767 1.00 20.42 O ATOM 0 H SER A 127 -4.947 10.008 -0.945 1.00 61.05 H new ATOM 0 HA SER A 127 -3.628 12.377 -2.129 1.00 43.23 H new ATOM 0 HB2 SER A 127 -2.293 10.807 -3.515 1.00 3.54 H new ATOM 0 HB3 SER A 127 -1.999 10.509 -1.814 1.00 3.54 H new ATOM 0 HG SER A 127 -3.285 8.675 -1.889 1.00 20.42 H new ATOM 2120 N ASN A 128 -4.606 11.859 -4.522 1.00 14.33 N ATOM 2121 CA ASN A 128 -5.446 11.839 -5.727 1.00 74.43 C ATOM 2122 C ASN A 128 -4.859 10.910 -6.804 1.00 71.40 C ATOM 2123 O ASN A 128 -3.637 10.763 -6.914 1.00 32.53 O ATOM 2124 CB ASN A 128 -5.576 13.247 -6.323 1.00 34.31 C ATOM 2125 CG ASN A 128 -6.194 14.246 -5.371 1.00 22.13 C ATOM 2126 OD1 ASN A 128 -7.408 14.416 -5.328 1.00 35.33 O ATOM 2127 ND2 ASN A 128 -5.366 14.928 -4.615 1.00 61.23 N ATOM 0 H ASN A 128 -3.715 12.340 -4.647 1.00 14.33 H new ATOM 0 HA ASN A 128 -6.426 11.470 -5.425 1.00 74.43 H new ATOM 0 HB2 ASN A 128 -4.589 13.601 -6.619 1.00 34.31 H new ATOM 0 HB3 ASN A 128 -6.181 13.196 -7.228 1.00 34.31 H new ATOM 0 HD21 ASN A 128 -5.727 15.626 -3.965 1.00 61.23 H new ATOM 0 HD22 ASN A 128 -4.362 14.760 -4.678 1.00 61.23 H new ATOM 2134 N PRO A 129 -5.724 10.304 -7.639 1.00 51.43 N ATOM 2135 CA PRO A 129 -5.290 9.462 -8.769 1.00 21.11 C ATOM 2136 C PRO A 129 -4.444 10.240 -9.791 1.00 55.41 C ATOM 2137 O PRO A 129 -3.596 9.667 -10.477 1.00 62.35 O ATOM 2138 CB PRO A 129 -6.616 9.004 -9.409 1.00 64.20 C ATOM 2139 CG PRO A 129 -7.637 9.980 -8.923 1.00 44.45 C ATOM 2140 CD PRO A 129 -7.192 10.383 -7.547 1.00 13.32 C ATOM 0 HA PRO A 129 -4.654 8.641 -8.439 1.00 21.11 H new ATOM 0 HB2 PRO A 129 -6.552 9.009 -10.497 1.00 64.20 H new ATOM 0 HB3 PRO A 129 -6.868 7.987 -9.109 1.00 64.20 H new ATOM 0 HG2 PRO A 129 -7.697 10.845 -9.584 1.00 44.45 H new ATOM 0 HG3 PRO A 129 -8.629 9.529 -8.897 1.00 44.45 H new ATOM 0 HD2 PRO A 129 -7.527 11.388 -7.292 1.00 13.32 H new ATOM 0 HD3 PRO A 129 -7.585 9.713 -6.783 1.00 13.32 H new ATOM 2148 N ASN A 130 -4.682 11.551 -9.881 1.00 15.32 N ATOM 2149 CA ASN A 130 -3.985 12.407 -10.848 1.00 60.33 C ATOM 2150 C ASN A 130 -2.572 12.782 -10.371 1.00 20.13 C ATOM 2151 O ASN A 130 -1.596 12.583 -11.101 1.00 73.53 O ATOM 2152 CB ASN A 130 -4.809 13.668 -11.123 1.00 2.33 C ATOM 2153 CG ASN A 130 -6.149 13.353 -11.759 1.00 60.41 C ATOM 2154 OD1 ASN A 130 -6.293 12.369 -12.477 1.00 3.33 O ATOM 2155 ND2 ASN A 130 -7.140 14.180 -11.500 1.00 53.25 N ATOM 0 H ASN A 130 -5.354 12.045 -9.294 1.00 15.32 H new ATOM 0 HA ASN A 130 -3.875 11.840 -11.772 1.00 60.33 H new ATOM 0 HB2 ASN A 130 -4.970 14.205 -10.188 1.00 2.33 H new ATOM 0 HB3 ASN A 130 -4.245 14.332 -11.779 1.00 2.33 H new ATOM 0 HD21 ASN A 130 -8.063 14.012 -11.901 1.00 53.25 H new ATOM 0 HD22 ASN A 130 -6.985 14.989 -10.898 1.00 53.25 H new ATOM 2162 N GLU A 131 -2.461 13.321 -9.149 1.00 72.35 N ATOM 2163 CA GLU A 131 -1.152 13.692 -8.586 1.00 54.11 C ATOM 2164 C GLU A 131 -0.206 12.478 -8.543 1.00 22.33 C ATOM 2165 O GLU A 131 1.009 12.617 -8.700 1.00 35.23 O ATOM 2166 CB GLU A 131 -1.303 14.299 -7.178 1.00 72.43 C ATOM 2167 CG GLU A 131 -1.699 13.298 -6.096 1.00 71.54 C ATOM 2168 CD GLU A 131 -1.670 13.904 -4.701 1.00 35.24 C ATOM 2169 OE1 GLU A 131 -0.574 14.271 -4.227 1.00 13.21 O ATOM 2170 OE2 GLU A 131 -2.741 14.030 -4.076 1.00 11.54 O ATOM 0 H GLU A 131 -3.253 13.509 -8.535 1.00 72.35 H new ATOM 0 HA GLU A 131 -0.717 14.448 -9.240 1.00 54.11 H new ATOM 0 HB2 GLU A 131 -0.360 14.767 -6.895 1.00 72.43 H new ATOM 0 HB3 GLU A 131 -2.052 15.090 -7.215 1.00 72.43 H new ATOM 0 HG2 GLU A 131 -2.700 12.921 -6.304 1.00 71.54 H new ATOM 0 HG3 GLU A 131 -1.023 12.444 -6.131 1.00 71.54 H new ATOM 2177 N LEU A 132 -0.781 11.292 -8.332 1.00 14.50 N ATOM 2178 CA LEU A 132 -0.022 10.033 -8.336 1.00 71.44 C ATOM 2179 C LEU A 132 0.869 9.896 -9.585 1.00 5.13 C ATOM 2180 O LEU A 132 2.033 9.499 -9.490 1.00 60.22 O ATOM 2181 CB LEU A 132 -0.996 8.846 -8.252 1.00 22.24 C ATOM 2182 CG LEU A 132 -0.347 7.449 -8.245 1.00 2.24 C ATOM 2183 CD1 LEU A 132 0.583 7.284 -7.044 1.00 61.51 C ATOM 2184 CD2 LEU A 132 -1.415 6.357 -8.256 1.00 61.42 C ATOM 0 H LEU A 132 -1.778 11.174 -8.154 1.00 14.50 H new ATOM 0 HA LEU A 132 0.636 10.038 -7.467 1.00 71.44 H new ATOM 0 HB2 LEU A 132 -1.594 8.953 -7.347 1.00 22.24 H new ATOM 0 HB3 LEU A 132 -1.683 8.903 -9.096 1.00 22.24 H new ATOM 0 HG LEU A 132 0.252 7.351 -9.151 1.00 2.24 H new ATOM 0 HD11 LEU A 132 1.028 6.289 -7.063 1.00 61.51 H new ATOM 0 HD12 LEU A 132 1.371 8.035 -7.088 1.00 61.51 H new ATOM 0 HD13 LEU A 132 0.014 7.409 -6.123 1.00 61.51 H new ATOM 0 HD21 LEU A 132 -0.935 5.378 -8.251 1.00 61.42 H new ATOM 0 HD22 LEU A 132 -2.046 6.456 -7.373 1.00 61.42 H new ATOM 0 HD23 LEU A 132 -2.027 6.456 -9.152 1.00 61.42 H new ATOM 2196 N GLN A 133 0.317 10.231 -10.753 1.00 43.21 N ATOM 2197 CA GLN A 133 1.061 10.155 -12.018 1.00 10.45 C ATOM 2198 C GLN A 133 2.340 11.011 -11.974 1.00 65.35 C ATOM 2199 O GLN A 133 3.398 10.588 -12.447 1.00 5.41 O ATOM 2200 CB GLN A 133 0.165 10.590 -13.189 1.00 12.23 C ATOM 2201 CG GLN A 133 0.860 10.586 -14.553 1.00 12.43 C ATOM 2202 CD GLN A 133 1.402 9.220 -14.951 1.00 64.33 C ATOM 2203 OE1 GLN A 133 0.710 8.414 -15.562 1.00 32.42 O ATOM 2204 NE2 GLN A 133 2.651 8.952 -14.623 1.00 42.54 N ATOM 0 H GLN A 133 -0.644 10.558 -10.852 1.00 43.21 H new ATOM 0 HA GLN A 133 1.362 9.118 -12.167 1.00 10.45 H new ATOM 0 HB2 GLN A 133 -0.700 9.928 -13.234 1.00 12.23 H new ATOM 0 HB3 GLN A 133 -0.211 11.593 -12.989 1.00 12.23 H new ATOM 0 HG2 GLN A 133 0.155 10.925 -15.313 1.00 12.43 H new ATOM 0 HG3 GLN A 133 1.680 11.304 -14.537 1.00 12.43 H new ATOM 0 HE21 GLN A 133 3.204 9.642 -14.114 1.00 42.54 H new ATOM 0 HE22 GLN A 133 3.064 8.055 -14.878 1.00 42.54 H new ATOM 2213 N ALA A 134 2.239 12.205 -11.390 1.00 75.04 N ATOM 2214 CA ALA A 134 3.392 13.106 -11.258 1.00 22.30 C ATOM 2215 C ALA A 134 4.450 12.521 -10.312 1.00 61.11 C ATOM 2216 O ALA A 134 5.650 12.572 -10.592 1.00 11.04 O ATOM 2217 CB ALA A 134 2.935 14.476 -10.769 1.00 35.24 C ATOM 0 H ALA A 134 1.372 12.574 -11.000 1.00 75.04 H new ATOM 0 HA ALA A 134 3.851 13.217 -12.241 1.00 22.30 H new ATOM 0 HB1 ALA A 134 3.798 15.135 -10.675 1.00 35.24 H new ATOM 0 HB2 ALA A 134 2.230 14.901 -11.484 1.00 35.24 H new ATOM 0 HB3 ALA A 134 2.450 14.373 -9.798 1.00 35.24 H new ATOM 2223 N ALA A 135 3.992 11.955 -9.195 1.00 32.04 N ATOM 2224 CA ALA A 135 4.881 11.299 -8.226 1.00 12.43 C ATOM 2225 C ALA A 135 5.726 10.200 -8.891 1.00 5.53 C ATOM 2226 O ALA A 135 6.958 10.185 -8.794 1.00 41.10 O ATOM 2227 CB ALA A 135 4.055 10.700 -7.091 1.00 75.44 C ATOM 0 H ALA A 135 3.006 11.936 -8.935 1.00 32.04 H new ATOM 0 HA ALA A 135 5.561 12.053 -7.829 1.00 12.43 H new ATOM 0 HB1 ALA A 135 4.718 10.215 -6.375 1.00 75.44 H new ATOM 0 HB2 ALA A 135 3.497 11.491 -6.590 1.00 75.44 H new ATOM 0 HB3 ALA A 135 3.359 9.966 -7.496 1.00 75.44 H new ATOM 2233 N ILE A 136 5.042 9.284 -9.569 1.00 21.23 N ATOM 2234 CA ILE A 136 5.692 8.178 -10.280 1.00 75.22 C ATOM 2235 C ILE A 136 6.605 8.699 -11.398 1.00 35.11 C ATOM 2236 O ILE A 136 7.708 8.188 -11.609 1.00 51.22 O ATOM 2237 CB ILE A 136 4.631 7.239 -10.895 1.00 42.14 C ATOM 2238 CG1 ILE A 136 3.640 6.782 -9.814 1.00 44.55 C ATOM 2239 CG2 ILE A 136 5.295 6.037 -11.572 1.00 74.13 C ATOM 2240 CD1 ILE A 136 2.375 6.172 -10.367 1.00 3.11 C ATOM 0 H ILE A 136 4.025 9.283 -9.644 1.00 21.23 H new ATOM 0 HA ILE A 136 6.295 7.630 -9.556 1.00 75.22 H new ATOM 0 HB ILE A 136 4.081 7.788 -11.659 1.00 42.14 H new ATOM 0 HG12 ILE A 136 4.131 6.054 -9.168 1.00 44.55 H new ATOM 0 HG13 ILE A 136 3.378 7.636 -9.190 1.00 44.55 H new ATOM 0 HG21 ILE A 136 4.528 5.390 -11.998 1.00 74.13 H new ATOM 0 HG22 ILE A 136 5.957 6.386 -12.365 1.00 74.13 H new ATOM 0 HG23 ILE A 136 5.873 5.479 -10.836 1.00 74.13 H new ATOM 0 HD11 ILE A 136 1.725 5.874 -9.544 1.00 3.11 H new ATOM 0 HD12 ILE A 136 1.860 6.904 -10.989 1.00 3.11 H new ATOM 0 HD13 ILE A 136 2.625 5.297 -10.967 1.00 3.11 H new ATOM 2252 N ASP A 137 6.132 9.720 -12.108 1.00 14.54 N ATOM 2253 CA ASP A 137 6.894 10.338 -13.191 1.00 71.34 C ATOM 2254 C ASP A 137 8.278 10.792 -12.706 1.00 34.23 C ATOM 2255 O ASP A 137 9.301 10.411 -13.279 1.00 23.50 O ATOM 2256 CB ASP A 137 6.117 11.526 -13.762 1.00 55.35 C ATOM 2257 CG ASP A 137 6.857 12.196 -14.900 1.00 4.34 C ATOM 2258 OD1 ASP A 137 6.892 11.616 -16.005 1.00 45.34 O ATOM 2259 OD2 ASP A 137 7.417 13.290 -14.695 1.00 51.15 O ATOM 0 H ASP A 137 5.216 10.140 -11.951 1.00 14.54 H new ATOM 0 HA ASP A 137 7.040 9.594 -13.974 1.00 71.34 H new ATOM 0 HB2 ASP A 137 5.143 11.186 -14.114 1.00 55.35 H new ATOM 0 HB3 ASP A 137 5.934 12.253 -12.971 1.00 55.35 H new ATOM 2264 N SER A 138 8.298 11.586 -11.637 1.00 41.31 N ATOM 2265 CA SER A 138 9.554 12.085 -11.058 1.00 13.54 C ATOM 2266 C SER A 138 10.505 10.935 -10.694 1.00 24.14 C ATOM 2267 O SER A 138 11.715 11.038 -10.889 1.00 31.23 O ATOM 2268 CB SER A 138 9.266 12.946 -9.820 1.00 33.22 C ATOM 2269 OG SER A 138 8.489 14.086 -10.162 1.00 21.13 O ATOM 0 H SER A 138 7.459 11.901 -11.150 1.00 41.31 H new ATOM 0 HA SER A 138 10.046 12.698 -11.813 1.00 13.54 H new ATOM 0 HB2 SER A 138 8.738 12.352 -9.074 1.00 33.22 H new ATOM 0 HB3 SER A 138 10.205 13.264 -9.367 1.00 33.22 H new ATOM 0 HG SER A 138 7.561 13.814 -10.320 1.00 21.13 H new ATOM 2275 N ASN A 139 9.951 9.829 -10.191 1.00 1.21 N ATOM 2276 CA ASN A 139 10.759 8.644 -9.858 1.00 35.24 C ATOM 2277 C ASN A 139 11.416 8.041 -11.115 1.00 20.11 C ATOM 2278 O ASN A 139 12.535 7.533 -11.060 1.00 71.04 O ATOM 2279 CB ASN A 139 9.906 7.579 -9.154 1.00 64.33 C ATOM 2280 CG ASN A 139 9.522 7.960 -7.729 1.00 54.42 C ATOM 2281 OD1 ASN A 139 9.347 9.241 -7.463 1.00 55.02 O flip ATOM 2282 ND2 ASN A 139 9.379 7.102 -6.869 1.00 42.41 N flip ATOM 0 H ASN A 139 8.954 9.725 -10.005 1.00 1.21 H new ATOM 0 HA ASN A 139 11.548 8.970 -9.180 1.00 35.24 H new ATOM 0 HB2 ASN A 139 8.999 7.408 -9.734 1.00 64.33 H new ATOM 0 HB3 ASN A 139 10.455 6.637 -9.136 1.00 64.33 H new ATOM 0 HD21 ASN A 139 9.520 6.119 -7.101 1.00 42.41 H new ATOM 0 HD22 ASN A 139 9.118 7.370 -5.920 1.00 42.41 H new ATOM 2289 N ARG A 140 10.706 8.100 -12.243 1.00 34.14 N ATOM 2290 CA ARG A 140 11.245 7.627 -13.528 1.00 12.11 C ATOM 2291 C ARG A 140 12.215 8.657 -14.124 1.00 23.43 C ATOM 2292 O ARG A 140 13.134 8.315 -14.866 1.00 51.31 O ATOM 2293 CB ARG A 140 10.108 7.396 -14.534 1.00 32.10 C ATOM 2294 CG ARG A 140 8.972 6.520 -14.020 1.00 12.10 C ATOM 2295 CD ARG A 140 7.840 6.414 -15.042 1.00 74.34 C ATOM 2296 NE ARG A 140 7.346 7.730 -15.460 1.00 65.33 N ATOM 2297 CZ ARG A 140 6.248 7.920 -16.145 1.00 23.13 C ATOM 2298 NH1 ARG A 140 5.500 6.921 -16.484 1.00 2.55 N ATOM 2299 NH2 ARG A 140 5.898 9.117 -16.494 1.00 31.34 N ATOM 0 H ARG A 140 9.757 8.470 -12.297 1.00 34.14 H new ATOM 0 HA ARG A 140 11.772 6.692 -13.339 1.00 12.11 H new ATOM 0 HB2 ARG A 140 9.699 8.363 -14.828 1.00 32.10 H new ATOM 0 HB3 ARG A 140 10.523 6.939 -15.432 1.00 32.10 H new ATOM 0 HG2 ARG A 140 9.353 5.524 -13.793 1.00 12.10 H new ATOM 0 HG3 ARG A 140 8.585 6.933 -13.089 1.00 12.10 H new ATOM 0 HD2 ARG A 140 8.192 5.866 -15.916 1.00 74.34 H new ATOM 0 HD3 ARG A 140 7.019 5.839 -14.614 1.00 74.34 H new ATOM 0 HE ARG A 140 7.894 8.550 -15.200 1.00 65.33 H new ATOM 0 HH11 ARG A 140 5.764 5.973 -16.217 1.00 2.55 H new ATOM 0 HH12 ARG A 140 4.646 7.081 -17.018 1.00 2.55 H new ATOM 0 HH21 ARG A 140 6.479 9.914 -16.235 1.00 31.34 H new ATOM 0 HH22 ARG A 140 5.041 9.263 -17.028 1.00 31.34 H new ATOM 2313 N ARG A 141 11.978 9.919 -13.792 1.00 72.34 N ATOM 2314 CA ARG A 141 12.692 11.050 -14.389 1.00 1.33 C ATOM 2315 C ARG A 141 14.085 11.245 -13.766 1.00 34.35 C ATOM 2316 O ARG A 141 15.027 11.677 -14.438 1.00 63.34 O ATOM 2317 CB ARG A 141 11.837 12.311 -14.197 1.00 33.10 C ATOM 2318 CG ARG A 141 12.118 13.439 -15.185 1.00 22.45 C ATOM 2319 CD ARG A 141 11.135 14.586 -14.980 1.00 63.02 C ATOM 2320 NE ARG A 141 11.223 15.606 -16.022 1.00 25.35 N ATOM 2321 CZ ARG A 141 10.398 16.614 -16.120 1.00 41.15 C ATOM 2322 NH1 ARG A 141 9.434 16.762 -15.265 1.00 71.34 N ATOM 2323 NH2 ARG A 141 10.536 17.470 -17.077 1.00 53.21 N ATOM 0 H ARG A 141 11.282 10.193 -13.098 1.00 72.34 H new ATOM 0 HA ARG A 141 12.849 10.851 -15.449 1.00 1.33 H new ATOM 0 HB2 ARG A 141 10.786 12.034 -14.275 1.00 33.10 H new ATOM 0 HB3 ARG A 141 11.993 12.687 -13.186 1.00 33.10 H new ATOM 0 HG2 ARG A 141 13.138 13.799 -15.054 1.00 22.45 H new ATOM 0 HG3 ARG A 141 12.041 13.064 -16.206 1.00 22.45 H new ATOM 0 HD2 ARG A 141 10.121 14.188 -14.954 1.00 63.02 H new ATOM 0 HD3 ARG A 141 11.321 15.048 -14.010 1.00 63.02 H new ATOM 0 HE ARG A 141 11.970 15.527 -16.712 1.00 25.35 H new ATOM 0 HH11 ARG A 141 9.315 16.088 -14.508 1.00 71.34 H new ATOM 0 HH12 ARG A 141 8.794 17.552 -15.349 1.00 71.34 H new ATOM 0 HH21 ARG A 141 11.289 17.359 -17.756 1.00 53.21 H new ATOM 0 HH22 ARG A 141 9.892 18.257 -17.154 1.00 53.21 H new ATOM 2337 N GLU A 142 14.209 10.927 -12.479 1.00 61.51 N ATOM 2338 CA GLU A 142 15.472 11.093 -11.749 1.00 72.31 C ATOM 2339 C GLU A 142 16.482 9.983 -12.086 1.00 23.13 C ATOM 2340 O GLU A 142 16.532 8.940 -11.426 1.00 62.22 O ATOM 2341 CB GLU A 142 15.200 11.137 -10.236 1.00 15.43 C ATOM 2342 CG GLU A 142 14.392 12.358 -9.799 1.00 45.11 C ATOM 2343 CD GLU A 142 13.966 12.309 -8.338 1.00 74.14 C ATOM 2344 OE1 GLU A 142 14.832 12.106 -7.462 1.00 24.21 O ATOM 2345 OE2 GLU A 142 12.758 12.469 -8.055 1.00 43.13 O ATOM 0 H GLU A 142 13.448 10.551 -11.914 1.00 61.51 H new ATOM 0 HA GLU A 142 15.918 12.037 -12.062 1.00 72.31 H new ATOM 0 HB2 GLU A 142 14.665 10.233 -9.944 1.00 15.43 H new ATOM 0 HB3 GLU A 142 16.151 11.130 -9.703 1.00 15.43 H new ATOM 0 HG2 GLU A 142 14.986 13.257 -9.967 1.00 45.11 H new ATOM 0 HG3 GLU A 142 13.504 12.441 -10.426 1.00 45.11 H new ATOM 2352 N GLY A 143 17.282 10.211 -13.129 1.00 51.22 N ATOM 2353 CA GLY A 143 18.303 9.246 -13.530 1.00 42.15 C ATOM 2354 C GLY A 143 17.885 8.379 -14.715 1.00 73.13 C ATOM 2355 O GLY A 143 18.030 7.153 -14.686 1.00 42.45 O ATOM 0 H GLY A 143 17.242 11.050 -13.707 1.00 51.22 H new ATOM 0 HA2 GLY A 143 19.218 9.781 -13.785 1.00 42.15 H new ATOM 0 HA3 GLY A 143 18.537 8.602 -12.682 1.00 42.15 H new ATOM 2359 N ARG A 144 17.379 9.018 -15.766 1.00 65.02 N ATOM 2360 CA ARG A 144 16.922 8.305 -16.964 1.00 54.51 C ATOM 2361 C ARG A 144 17.117 9.167 -18.221 1.00 4.21 C ATOM 2362 O ARG A 144 17.315 10.379 -18.130 1.00 13.41 O ATOM 2363 CB ARG A 144 15.434 7.951 -16.822 1.00 51.12 C ATOM 2364 CG ARG A 144 14.916 6.932 -17.841 1.00 71.24 C ATOM 2365 CD ARG A 144 13.464 7.203 -18.226 1.00 44.03 C ATOM 2366 NE ARG A 144 13.332 8.463 -18.960 1.00 43.31 N ATOM 2367 CZ ARG A 144 12.207 9.082 -19.177 1.00 24.54 C ATOM 2368 NH1 ARG A 144 11.086 8.605 -18.737 1.00 64.53 N ATOM 2369 NH2 ARG A 144 12.212 10.192 -19.841 1.00 2.42 N ATOM 0 H ARG A 144 17.273 10.031 -15.816 1.00 65.02 H new ATOM 0 HA ARG A 144 17.513 7.395 -17.065 1.00 54.51 H new ATOM 0 HB2 ARG A 144 15.262 7.560 -15.819 1.00 51.12 H new ATOM 0 HB3 ARG A 144 14.847 8.865 -16.913 1.00 51.12 H new ATOM 0 HG2 ARG A 144 15.540 6.961 -18.734 1.00 71.24 H new ATOM 0 HG3 ARG A 144 15.001 5.928 -17.426 1.00 71.24 H new ATOM 0 HD2 ARG A 144 13.089 6.383 -18.838 1.00 44.03 H new ATOM 0 HD3 ARG A 144 12.848 7.237 -17.327 1.00 44.03 H new ATOM 0 HE ARG A 144 14.183 8.887 -19.328 1.00 43.31 H new ATOM 0 HH11 ARG A 144 11.075 7.731 -18.211 1.00 64.53 H new ATOM 0 HH12 ARG A 144 10.214 9.103 -18.916 1.00 64.53 H new ATOM 0 HH21 ARG A 144 13.091 10.574 -20.189 1.00 2.42 H new ATOM 0 HH22 ARG A 144 11.337 10.685 -20.017 1.00 2.42 H new ATOM 2383 N ARG A 145 17.080 8.534 -19.389 1.00 20.22 N ATOM 2384 CA ARG A 145 17.063 9.267 -20.663 1.00 40.11 C ATOM 2385 C ARG A 145 15.641 9.285 -21.263 1.00 62.44 C ATOM 2386 O ARG A 145 14.849 10.191 -20.902 1.00 37.78 O ATOM 2387 CB ARG A 145 18.064 8.655 -21.659 1.00 65.54 C ATOM 2388 CG ARG A 145 19.511 8.692 -21.176 1.00 41.21 C ATOM 2389 CD ARG A 145 20.492 8.305 -22.280 1.00 73.41 C ATOM 2390 NE ARG A 145 20.266 6.952 -22.787 1.00 55.21 N ATOM 2391 CZ ARG A 145 20.912 6.426 -23.795 1.00 13.25 C ATOM 2392 NH1 ARG A 145 21.800 7.113 -24.444 1.00 11.22 N ATOM 2393 NH2 ARG A 145 20.655 5.213 -24.158 1.00 21.03 N ATOM 2394 OXT ARG A 145 15.308 8.392 -22.069 1.00 37.78 O ATOM 0 H ARG A 145 17.061 7.519 -19.486 1.00 20.22 H new ATOM 0 HA ARG A 145 17.365 10.296 -20.466 1.00 40.11 H new ATOM 0 HB2 ARG A 145 17.782 7.620 -21.854 1.00 65.54 H new ATOM 0 HB3 ARG A 145 17.993 9.189 -22.606 1.00 65.54 H new ATOM 0 HG2 ARG A 145 19.747 9.693 -20.815 1.00 41.21 H new ATOM 0 HG3 ARG A 145 19.629 8.013 -20.332 1.00 41.21 H new ATOM 0 HD2 ARG A 145 20.406 9.016 -23.102 1.00 73.41 H new ATOM 0 HD3 ARG A 145 21.510 8.380 -21.898 1.00 73.41 H new ATOM 0 HE ARG A 145 19.558 6.381 -22.324 1.00 55.21 H new ATOM 0 HH11 ARG A 145 22.001 8.075 -24.170 1.00 11.22 H new ATOM 0 HH12 ARG A 145 22.297 6.692 -25.229 1.00 11.22 H new ATOM 0 HH21 ARG A 145 19.951 4.670 -23.659 1.00 21.03 H new ATOM 0 HH22 ARG A 145 21.156 4.799 -24.944 1.00 21.03 H new TER 2408 ARG A 145