USER MOD reduce.3.24.130724 H: found=0, std=0, add=1336, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1264 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 121 TYR OH : rot 90:sc= 0.131 USER MOD Set 1.2: A 129 LYS NZ :NH3+ -125:sc= 0.0443 (180deg=-0.212) USER MOD Set 2.1: A -10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A -11 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 96 LYS NZ :NH3+ 156:sc= 0.569 (180deg=-1.05) USER MOD Set 3.2: A 100 TYR OH : rot -54:sc= 1.34 USER MOD Set 4.1: A 26 SER OG : rot -110:sc= 0.272 USER MOD Set 4.2: A -14 MET N :NH3+ -164:sc= 0.319 (180deg=-0.0412) USER MOD Set 5.1: A -4 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A -7 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=-0.066) USER MOD Set 6.1: A 0 MET CE :methyl -168:sc= -0.12 (180deg=-0.438) USER MOD Set 6.2: A 31 THR OG1 : rot -170:sc= 0.0941 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.0907 USER MOD Single : A -1 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A -3 SER OG : rot -110:sc= -0.189 USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.71) USER MOD Single : A -8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -9 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.6) USER MOD Single : A 10 TYR OH : rot 60:sc= -1.11 USER MOD Single : A 14 MET CE :methyl 174:sc= 0 (180deg=-0.06) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0276 F(o=-0.9,f=-0.028) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.46 F(o=-2.7!,f=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= 0.269 (180deg=-0.415!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot -179:sc= 0.514 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.035 (180deg=-0.176) USER MOD Single : A 44 ASN : amide:sc= -0.661 X(o=-0.66,f=-0.25) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -46:sc= 0.427 USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= -0.0442 (180deg=-0.351) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0888 (180deg=-0.465) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 1.18 (180deg=0.738) USER MOD Single : A 56 SER OG : rot 150:sc= -0.0242 USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= -0.0127 (180deg=-0.19) USER MOD Single : A 65 LYS NZ :NH3+ -131:sc= -0.439 (180deg=-2.09!) USER MOD Single : A 67 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-2.7!) USER MOD Single : A 69 MET CE :methyl -147:sc= -5.07! (180deg=-7.58!) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= 0.892 (180deg=0.764) USER MOD Single : A 72 SER OG : rot 73:sc= 1.27 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0.937 (180deg=0.698) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0.843) USER MOD Single : A 88 SER OG : rot -77:sc= 0.801 USER MOD Single : A 99 TYR OH : rot 70:sc= -0.291 USER MOD Single : A -12 SER OG : rot -179:sc= 1.11 USER MOD Single : A -14 MET CE :methyl -161:sc= -0.074 (180deg=-0.541) USER MOD Single : A 101 THR OG1 : rot -170:sc= -1.14 USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0409 USER MOD Single : A 107 LYS NZ :NH3+ 149:sc= -1.6! (180deg=-3.35!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -82:sc= -1.76! USER MOD Single : A 115 LYS NZ :NH3+ -177:sc= 0.957 (180deg=0.766) USER MOD Single : A 119 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.749) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 164:sc= -2.08 (180deg=-2.35) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 171:sc= -0.0161 (180deg=-0.113) USER MOD Single : A 135 GLN :FLIP amide:sc= -0.798 F(o=-2.4,f=-0.8) USER MOD Single : A 141 LYS NZ :NH3+ 168:sc= -0.0148 (180deg=-0.148) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ -133:sc= 1.2 (180deg=0.0771) USER MOD Single : A 150 LYS NZ :NH3+ 168:sc= 1.24 (180deg=0.828) USER MOD Single : A 155 ASN : amide:sc= -4.67! C(o=-4.7!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -14 -8.898 21.086 -6.102 1.00 23.34 N ATOM 2 CA MET A -14 -8.665 22.520 -6.395 1.00 23.09 C ATOM 3 C MET A -14 -9.431 23.390 -5.412 1.00 22.83 C ATOM 4 O MET A -14 -10.550 23.059 -5.022 1.00 23.06 O ATOM 5 CB MET A -14 -9.096 22.856 -7.825 1.00 23.32 C ATOM 6 CG MET A -14 -8.206 22.252 -8.896 1.00 23.49 C ATOM 7 SD MET A -14 -6.534 22.928 -8.880 1.00 23.59 S ATOM 8 CE MET A -14 -6.844 24.630 -9.348 1.00 23.42 C ATOM 0 H1 MET A -14 -8.178 20.511 -6.586 1.00 23.34 H new ATOM 0 H2 MET A -14 -8.836 20.927 -5.076 1.00 23.34 H new ATOM 0 H3 MET A -14 -9.843 20.812 -6.438 1.00 23.34 H new ATOM 0 HA MET A -14 -7.598 22.719 -6.294 1.00 23.09 H new ATOM 0 HB2 MET A -14 -10.118 22.508 -7.977 1.00 23.32 H new ATOM 0 HB3 MET A -14 -9.108 23.939 -7.945 1.00 23.32 H new ATOM 0 HG2 MET A -14 -8.158 21.172 -8.755 1.00 23.49 H new ATOM 0 HG3 MET A -14 -8.654 22.426 -9.874 1.00 23.49 H new ATOM 0 HE1 MET A -14 -5.920 25.083 -9.707 1.00 23.42 H new ATOM 0 HE2 MET A -14 -7.593 24.659 -10.139 1.00 23.42 H new ATOM 0 HE3 MET A -14 -7.208 25.185 -8.483 1.00 23.42 H new ATOM 20 N GLY A -13 -8.825 24.500 -5.013 1.00 22.47 N ATOM 21 CA GLY A -13 -9.454 25.387 -4.057 1.00 22.32 C ATOM 22 C GLY A -13 -9.153 24.979 -2.631 1.00 21.64 C ATOM 23 O GLY A -13 -10.046 24.945 -1.783 1.00 21.33 O ATOM 0 H GLY A -13 -7.906 24.802 -5.336 1.00 22.47 H new ATOM 0 HA2 GLY A -13 -9.107 26.407 -4.224 1.00 22.32 H new ATOM 0 HA3 GLY A -13 -10.532 25.387 -4.215 1.00 22.32 H new ATOM 27 N SER A -12 -7.894 24.666 -2.372 1.00 21.51 N ATOM 28 CA SER A -12 -7.462 24.220 -1.055 1.00 20.97 C ATOM 29 C SER A -12 -7.274 25.407 -0.112 1.00 20.41 C ATOM 30 O SER A -12 -6.144 25.845 0.124 1.00 20.34 O ATOM 31 CB SER A -12 -6.153 23.439 -1.185 1.00 21.18 C ATOM 32 OG SER A -12 -6.244 22.464 -2.214 1.00 21.36 O ATOM 0 H SER A -12 -7.146 24.713 -3.063 1.00 21.51 H new ATOM 0 HA SER A -12 -8.232 23.573 -0.635 1.00 20.97 H new ATOM 0 HB2 SER A -12 -5.335 24.126 -1.401 1.00 21.18 H new ATOM 0 HB3 SER A -12 -5.919 22.953 -0.238 1.00 21.18 H new ATOM 0 HG SER A -12 -5.404 21.962 -2.264 1.00 21.36 H new ATOM 38 N SER A -11 -8.393 25.921 0.405 1.00 20.15 N ATOM 39 CA SER A -11 -8.410 27.060 1.330 1.00 19.73 C ATOM 40 C SER A -11 -7.999 28.358 0.637 1.00 19.37 C ATOM 41 O SER A -11 -8.775 29.313 0.568 1.00 19.50 O ATOM 42 CB SER A -11 -7.510 26.794 2.543 1.00 20.02 C ATOM 43 OG SER A -11 -7.535 27.879 3.453 1.00 20.19 O ATOM 0 H SER A -11 -9.321 25.556 0.192 1.00 20.15 H new ATOM 0 HA SER A -11 -9.437 27.178 1.677 1.00 19.73 H new ATOM 0 HB2 SER A -11 -7.837 25.886 3.049 1.00 20.02 H new ATOM 0 HB3 SER A -11 -6.487 26.621 2.208 1.00 20.02 H new ATOM 0 HG SER A -11 -6.953 27.679 4.216 1.00 20.19 H new ATOM 49 N HIS A -10 -6.784 28.387 0.122 1.00 19.05 N ATOM 50 CA HIS A -10 -6.248 29.571 -0.519 1.00 18.80 C ATOM 51 C HIS A -10 -6.296 29.402 -2.029 1.00 17.89 C ATOM 52 O HIS A -10 -5.562 28.590 -2.592 1.00 17.81 O ATOM 53 CB HIS A -10 -4.806 29.822 -0.060 1.00 19.29 C ATOM 54 CG HIS A -10 -4.654 29.925 1.429 1.00 20.11 C ATOM 55 ND1 HIS A -10 -3.641 29.302 2.126 1.00 20.55 N ATOM 56 CD2 HIS A -10 -5.388 30.586 2.353 1.00 20.68 C ATOM 57 CE1 HIS A -10 -3.761 29.575 3.411 1.00 21.33 C ATOM 58 NE2 HIS A -10 -4.813 30.351 3.578 1.00 21.42 N ATOM 0 H HIS A -10 -6.144 27.593 0.136 1.00 19.05 H new ATOM 0 HA HIS A -10 -6.854 30.431 -0.236 1.00 18.80 H new ATOM 0 HB2 HIS A -10 -4.172 29.014 -0.426 1.00 19.29 H new ATOM 0 HB3 HIS A -10 -4.444 30.743 -0.517 1.00 19.29 H new ATOM 0 HD2 HIS A -10 -6.265 31.188 2.163 1.00 20.68 H new ATOM 0 HE1 HIS A -10 -3.107 29.222 4.195 1.00 21.33 H new ATOM 0 HE2 HIS A -10 -5.145 30.717 4.470 1.00 21.42 H new ATOM 67 N HIS A -9 -7.168 30.155 -2.679 1.00 17.33 N ATOM 68 CA HIS A -9 -7.319 30.072 -4.124 1.00 16.53 C ATOM 69 C HIS A -9 -6.894 31.381 -4.788 1.00 15.50 C ATOM 70 O HIS A -9 -7.718 32.185 -5.221 1.00 15.25 O ATOM 71 CB HIS A -9 -8.761 29.680 -4.517 1.00 16.68 C ATOM 72 CG HIS A -9 -9.844 30.551 -3.943 1.00 17.20 C ATOM 73 ND1 HIS A -9 -10.474 31.542 -4.666 1.00 17.69 N ATOM 74 CD2 HIS A -9 -10.424 30.557 -2.719 1.00 17.45 C ATOM 75 CE1 HIS A -9 -11.391 32.120 -3.912 1.00 18.20 C ATOM 76 NE2 HIS A -9 -11.381 31.540 -2.728 1.00 18.08 N ATOM 0 H HIS A -9 -7.784 30.832 -2.229 1.00 17.33 H new ATOM 0 HA HIS A -9 -6.660 29.283 -4.487 1.00 16.53 H new ATOM 0 HB2 HIS A -9 -8.841 29.698 -5.604 1.00 16.68 H new ATOM 0 HB3 HIS A -9 -8.939 28.652 -4.201 1.00 16.68 H new ATOM 0 HD2 HIS A -9 -10.179 29.909 -1.891 1.00 17.45 H new ATOM 0 HE1 HIS A -9 -12.039 32.930 -4.214 1.00 18.20 H new ATOM 0 HE2 HIS A -9 -11.987 31.783 -1.945 1.00 18.08 H new ATOM 85 N HIS A -8 -5.586 31.585 -4.840 1.00 15.05 N ATOM 86 CA HIS A -8 -4.994 32.766 -5.456 1.00 14.17 C ATOM 87 C HIS A -8 -3.834 32.328 -6.337 1.00 13.33 C ATOM 88 O HIS A -8 -3.784 31.173 -6.757 1.00 13.18 O ATOM 89 CB HIS A -8 -4.497 33.748 -4.386 1.00 14.48 C ATOM 90 CG HIS A -8 -5.588 34.374 -3.573 1.00 15.02 C ATOM 91 ND1 HIS A -8 -5.688 34.235 -2.205 1.00 15.53 N ATOM 92 CD2 HIS A -8 -6.621 35.166 -3.942 1.00 15.28 C ATOM 93 CE1 HIS A -8 -6.731 34.914 -1.772 1.00 16.06 C ATOM 94 NE2 HIS A -8 -7.315 35.487 -2.805 1.00 15.93 N ATOM 0 H HIS A -8 -4.902 30.934 -4.455 1.00 15.05 H new ATOM 0 HA HIS A -8 -5.749 33.275 -6.056 1.00 14.17 H new ATOM 0 HB2 HIS A -8 -3.815 33.224 -3.716 1.00 14.48 H new ATOM 0 HB3 HIS A -8 -3.923 34.537 -4.872 1.00 14.48 H new ATOM 0 HD2 HIS A -8 -6.855 35.486 -4.947 1.00 15.28 H new ATOM 0 HE1 HIS A -8 -7.053 34.988 -0.744 1.00 16.06 H new ATOM 0 HE2 HIS A -8 -8.148 36.074 -2.765 1.00 15.93 H new ATOM 103 N HIS A -7 -2.908 33.229 -6.635 1.00 12.97 N ATOM 104 CA HIS A -7 -1.706 32.837 -7.352 1.00 12.32 C ATOM 105 C HIS A -7 -0.762 32.126 -6.388 1.00 11.63 C ATOM 106 O HIS A -7 -0.097 31.156 -6.751 1.00 11.60 O ATOM 107 CB HIS A -7 -1.021 34.042 -7.998 1.00 12.67 C ATOM 108 CG HIS A -7 0.057 33.663 -8.968 1.00 12.79 C ATOM 109 ND1 HIS A -7 1.333 34.176 -8.918 1.00 12.93 N ATOM 110 CD2 HIS A -7 0.036 32.819 -10.026 1.00 13.01 C ATOM 111 CE1 HIS A -7 2.052 33.666 -9.900 1.00 13.22 C ATOM 112 NE2 HIS A -7 1.288 32.840 -10.587 1.00 13.27 N ATOM 0 H HIS A -7 -2.964 34.219 -6.396 1.00 12.97 H new ATOM 0 HA HIS A -7 -1.981 32.158 -8.159 1.00 12.32 H new ATOM 0 HB2 HIS A -7 -1.770 34.643 -8.514 1.00 12.67 H new ATOM 0 HB3 HIS A -7 -0.592 34.669 -7.216 1.00 12.67 H new ATOM 0 HD2 HIS A -7 -0.809 32.238 -10.365 1.00 13.01 H new ATOM 0 HE1 HIS A -7 3.089 33.887 -10.106 1.00 13.22 H new ATOM 0 HE2 HIS A -7 1.580 32.303 -11.404 1.00 13.27 H new ATOM 121 N HIS A -6 -0.727 32.642 -5.151 1.00 11.27 N ATOM 122 CA HIS A -6 -0.117 31.954 -4.006 1.00 10.81 C ATOM 123 C HIS A -6 1.347 31.579 -4.262 1.00 10.06 C ATOM 124 O HIS A -6 1.874 30.640 -3.664 1.00 10.07 O ATOM 125 CB HIS A -6 -0.958 30.711 -3.659 1.00 11.05 C ATOM 126 CG HIS A -6 -0.557 30.014 -2.394 1.00 11.45 C ATOM 127 ND1 HIS A -6 0.057 28.780 -2.382 1.00 11.75 N ATOM 128 CD2 HIS A -6 -0.693 30.376 -1.097 1.00 11.82 C ATOM 129 CE1 HIS A -6 0.280 28.414 -1.135 1.00 12.27 C ATOM 130 NE2 HIS A -6 -0.163 29.365 -0.336 1.00 12.33 N ATOM 0 H HIS A -6 -1.123 33.552 -4.916 1.00 11.27 H new ATOM 0 HA HIS A -6 -0.110 32.639 -3.158 1.00 10.81 H new ATOM 0 HB2 HIS A -6 -2.004 31.008 -3.578 1.00 11.05 H new ATOM 0 HB3 HIS A -6 -0.891 30.002 -4.485 1.00 11.05 H new ATOM 0 HD2 HIS A -6 -1.136 31.290 -0.730 1.00 11.82 H new ATOM 0 HE1 HIS A -6 0.746 27.492 -0.821 1.00 12.27 H new ATOM 0 HE2 HIS A -6 -0.119 29.351 0.683 1.00 12.33 H new ATOM 139 N HIS A -5 2.007 32.348 -5.126 1.00 9.63 N ATOM 140 CA HIS A -5 3.386 32.070 -5.529 1.00 9.11 C ATOM 141 C HIS A -5 3.503 30.679 -6.140 1.00 8.16 C ATOM 142 O HIS A -5 3.960 29.740 -5.486 1.00 8.12 O ATOM 143 CB HIS A -5 4.356 32.202 -4.346 1.00 9.69 C ATOM 144 CG HIS A -5 4.558 33.609 -3.876 1.00 10.23 C ATOM 145 ND1 HIS A -5 5.644 34.372 -4.243 1.00 10.62 N ATOM 146 CD2 HIS A -5 3.816 34.387 -3.059 1.00 10.71 C ATOM 147 CE1 HIS A -5 5.560 35.557 -3.670 1.00 11.27 C ATOM 148 NE2 HIS A -5 4.459 35.593 -2.947 1.00 11.33 N ATOM 0 H HIS A -5 1.605 33.176 -5.565 1.00 9.63 H new ATOM 0 HA HIS A -5 3.658 32.812 -6.280 1.00 9.11 H new ATOM 0 HB2 HIS A -5 3.983 31.603 -3.515 1.00 9.69 H new ATOM 0 HB3 HIS A -5 5.321 31.784 -4.633 1.00 9.69 H new ATOM 0 HD2 HIS A -5 2.887 34.110 -2.582 1.00 10.71 H new ATOM 0 HE1 HIS A -5 6.273 36.361 -3.776 1.00 11.27 H new ATOM 0 HE2 HIS A -5 4.138 36.388 -2.394 1.00 11.33 H new ATOM 157 N SER A -4 3.080 30.552 -7.390 1.00 7.67 N ATOM 158 CA SER A -4 3.173 29.289 -8.107 1.00 6.97 C ATOM 159 C SER A -4 4.622 28.808 -8.145 1.00 6.27 C ATOM 160 O SER A -4 5.542 29.594 -8.395 1.00 6.26 O ATOM 161 CB SER A -4 2.627 29.458 -9.525 1.00 7.36 C ATOM 162 OG SER A -4 1.315 29.994 -9.500 1.00 7.95 O ATOM 0 H SER A -4 2.667 31.312 -7.930 1.00 7.67 H new ATOM 0 HA SER A -4 2.576 28.539 -7.587 1.00 6.97 H new ATOM 0 HB2 SER A -4 3.282 30.116 -10.096 1.00 7.36 H new ATOM 0 HB3 SER A -4 2.621 28.494 -10.034 1.00 7.36 H new ATOM 0 HG SER A -4 0.986 30.095 -10.417 1.00 7.95 H new ATOM 168 N SER A -3 4.822 27.526 -7.891 1.00 6.06 N ATOM 169 CA SER A -3 6.161 26.965 -7.791 1.00 5.84 C ATOM 170 C SER A -3 6.657 26.461 -9.144 1.00 5.11 C ATOM 171 O SER A -3 7.364 25.454 -9.221 1.00 5.39 O ATOM 172 CB SER A -3 6.163 25.830 -6.769 1.00 6.61 C ATOM 173 OG SER A -3 5.626 26.263 -5.531 1.00 7.36 O ATOM 0 H SER A -3 4.071 26.850 -7.749 1.00 6.06 H new ATOM 0 HA SER A -3 6.841 27.752 -7.464 1.00 5.84 H new ATOM 0 HB2 SER A -3 5.580 24.992 -7.150 1.00 6.61 H new ATOM 0 HB3 SER A -3 7.181 25.469 -6.622 1.00 6.61 H new ATOM 0 HG SER A -3 6.341 26.310 -4.863 1.00 7.36 H new ATOM 179 N GLY A -2 6.278 27.165 -10.206 1.00 4.57 N ATOM 180 CA GLY A -2 6.712 26.801 -11.540 1.00 4.26 C ATOM 181 C GLY A -2 5.971 25.595 -12.076 1.00 3.39 C ATOM 182 O GLY A -2 5.043 25.727 -12.876 1.00 3.57 O ATOM 0 H GLY A -2 5.674 27.986 -10.164 1.00 4.57 H new ATOM 0 HA2 GLY A -2 6.561 27.646 -12.212 1.00 4.26 H new ATOM 0 HA3 GLY A -2 7.782 26.591 -11.527 1.00 4.26 H new ATOM 186 N HIS A -1 6.368 24.421 -11.617 1.00 2.94 N ATOM 187 CA HIS A -1 5.751 23.179 -12.043 1.00 2.48 C ATOM 188 C HIS A -1 5.366 22.348 -10.825 1.00 1.95 C ATOM 189 O HIS A -1 6.148 22.224 -9.884 1.00 2.40 O ATOM 190 CB HIS A -1 6.696 22.384 -12.962 1.00 3.02 C ATOM 191 CG HIS A -1 7.958 21.903 -12.300 1.00 3.37 C ATOM 192 ND1 HIS A -1 9.115 22.650 -12.241 1.00 4.00 N ATOM 193 CD2 HIS A -1 8.235 20.739 -11.662 1.00 3.77 C ATOM 194 CE1 HIS A -1 10.045 21.967 -11.597 1.00 4.52 C ATOM 195 NE2 HIS A -1 9.537 20.804 -11.237 1.00 4.43 N ATOM 0 H HIS A -1 7.123 24.303 -10.942 1.00 2.94 H new ATOM 0 HA HIS A -1 4.851 23.414 -12.611 1.00 2.48 H new ATOM 0 HB2 HIS A -1 6.157 21.522 -13.356 1.00 3.02 H new ATOM 0 HB3 HIS A -1 6.964 23.009 -13.814 1.00 3.02 H new ATOM 0 HD2 HIS A -1 7.555 19.913 -11.516 1.00 3.77 H new ATOM 0 HE1 HIS A -1 11.052 22.304 -11.399 1.00 4.52 H new ATOM 0 HE2 HIS A -1 10.032 20.073 -10.726 1.00 4.43 H new ATOM 204 N MET A 0 4.163 21.802 -10.840 1.00 1.39 N ATOM 205 CA MET A 0 3.687 20.970 -9.745 1.00 1.16 C ATOM 206 C MET A 0 3.111 19.679 -10.297 1.00 1.03 C ATOM 207 O MET A 0 2.492 19.675 -11.362 1.00 1.08 O ATOM 208 CB MET A 0 2.627 21.707 -8.922 1.00 1.34 C ATOM 209 CG MET A 0 3.144 22.965 -8.234 1.00 1.63 C ATOM 210 SD MET A 0 4.515 22.641 -7.106 1.00 2.00 S ATOM 211 CE MET A 0 3.740 21.549 -5.918 1.00 1.61 C ATOM 0 H MET A 0 3.494 21.920 -11.601 1.00 1.39 H new ATOM 0 HA MET A 0 4.529 20.741 -9.091 1.00 1.16 H new ATOM 0 HB2 MET A 0 1.797 21.977 -9.575 1.00 1.34 H new ATOM 0 HB3 MET A 0 2.231 21.028 -8.167 1.00 1.34 H new ATOM 0 HG2 MET A 0 3.465 23.680 -8.991 1.00 1.63 H new ATOM 0 HG3 MET A 0 2.328 23.431 -7.681 1.00 1.63 H new ATOM 0 HE1 MET A 0 4.391 21.434 -5.051 1.00 1.61 H new ATOM 0 HE2 MET A 0 2.786 21.972 -5.603 1.00 1.61 H new ATOM 0 HE3 MET A 0 3.570 20.575 -6.376 1.00 1.61 H new ATOM 221 N PHE A 1 3.318 18.587 -9.577 1.00 1.03 N ATOM 222 CA PHE A 1 2.850 17.283 -10.019 1.00 1.07 C ATOM 223 C PHE A 1 1.345 17.159 -9.813 1.00 0.89 C ATOM 224 O PHE A 1 0.778 17.757 -8.894 1.00 0.81 O ATOM 225 CB PHE A 1 3.576 16.162 -9.266 1.00 1.39 C ATOM 226 CG PHE A 1 3.076 15.946 -7.864 1.00 0.93 C ATOM 227 CD1 PHE A 1 3.362 16.854 -6.857 1.00 1.15 C ATOM 228 CD2 PHE A 1 2.314 14.830 -7.556 1.00 1.11 C ATOM 229 CE1 PHE A 1 2.899 16.654 -5.573 1.00 1.47 C ATOM 230 CE2 PHE A 1 1.848 14.624 -6.274 1.00 1.14 C ATOM 231 CZ PHE A 1 2.140 15.537 -5.282 1.00 1.31 C ATOM 0 H PHE A 1 3.808 18.578 -8.682 1.00 1.03 H new ATOM 0 HA PHE A 1 3.070 17.187 -11.082 1.00 1.07 H new ATOM 0 HB2 PHE A 1 3.469 15.233 -9.826 1.00 1.39 H new ATOM 0 HB3 PHE A 1 4.641 16.392 -9.230 1.00 1.39 H new ATOM 0 HD1 PHE A 1 3.955 17.729 -7.080 1.00 1.15 H new ATOM 0 HD2 PHE A 1 2.082 14.113 -8.329 1.00 1.11 H new ATOM 0 HE1 PHE A 1 3.129 17.369 -4.797 1.00 1.47 H new ATOM 0 HE2 PHE A 1 1.256 13.750 -6.047 1.00 1.14 H new ATOM 0 HZ PHE A 1 1.775 15.379 -4.278 1.00 1.31 H new ATOM 241 N LYS A 2 0.700 16.384 -10.663 1.00 0.96 N ATOM 242 CA LYS A 2 -0.727 16.159 -10.550 1.00 0.98 C ATOM 243 C LYS A 2 -1.000 14.666 -10.448 1.00 1.01 C ATOM 244 O LYS A 2 -0.202 13.866 -10.932 1.00 1.42 O ATOM 245 CB LYS A 2 -1.449 16.741 -11.766 1.00 1.14 C ATOM 246 CG LYS A 2 -2.932 17.001 -11.552 1.00 1.62 C ATOM 247 CD LYS A 2 -3.597 17.438 -12.846 1.00 2.02 C ATOM 248 CE LYS A 2 -4.879 18.218 -12.597 1.00 2.67 C ATOM 249 NZ LYS A 2 -5.942 17.384 -11.983 1.00 3.15 N ATOM 0 H LYS A 2 1.144 15.898 -11.442 1.00 0.96 H new ATOM 0 HA LYS A 2 -1.098 16.655 -9.653 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -0.965 17.677 -12.047 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -1.330 16.056 -12.606 1.00 1.14 H new ATOM 0 HG2 LYS A 2 -3.414 16.098 -11.178 1.00 1.62 H new ATOM 0 HG3 LYS A 2 -3.065 17.771 -10.792 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -2.904 18.054 -13.419 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -3.820 16.560 -13.453 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -4.664 19.065 -11.945 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -5.241 18.626 -13.541 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -6.794 17.962 -11.834 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -6.169 16.590 -12.615 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -5.610 17.015 -11.069 1.00 3.15 H new ATOM 263 N TYR A 3 -2.103 14.293 -9.821 1.00 0.91 N ATOM 264 CA TYR A 3 -2.501 12.892 -9.747 1.00 0.94 C ATOM 265 C TYR A 3 -2.568 12.304 -11.155 1.00 1.01 C ATOM 266 O TYR A 3 -2.046 11.222 -11.421 1.00 0.90 O ATOM 267 CB TYR A 3 -3.860 12.781 -9.046 1.00 1.02 C ATOM 268 CG TYR A 3 -4.409 11.379 -8.944 1.00 1.12 C ATOM 269 CD1 TYR A 3 -4.094 10.563 -7.867 1.00 1.31 C ATOM 270 CD2 TYR A 3 -5.262 10.878 -9.920 1.00 1.36 C ATOM 271 CE1 TYR A 3 -4.606 9.285 -7.768 1.00 1.62 C ATOM 272 CE2 TYR A 3 -5.780 9.602 -9.827 1.00 1.78 C ATOM 273 CZ TYR A 3 -5.449 8.810 -8.748 1.00 1.87 C ATOM 274 OH TYR A 3 -5.963 7.541 -8.651 1.00 2.35 O ATOM 0 H TYR A 3 -2.741 14.939 -9.355 1.00 0.91 H new ATOM 0 HA TYR A 3 -1.766 12.329 -9.171 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -3.769 13.194 -8.041 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -4.580 13.400 -9.581 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -3.438 10.934 -7.094 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -5.524 11.497 -10.765 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -4.347 8.660 -6.926 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -6.440 9.226 -10.595 1.00 1.78 H new ATOM 0 HH TYR A 3 -6.540 7.362 -9.423 1.00 2.35 H new ATOM 284 N GLU A 4 -3.183 13.064 -12.056 1.00 1.38 N ATOM 285 CA GLU A 4 -3.308 12.673 -13.454 1.00 1.74 C ATOM 286 C GLU A 4 -1.946 12.525 -14.133 1.00 1.24 C ATOM 287 O GLU A 4 -1.800 11.743 -15.074 1.00 1.52 O ATOM 288 CB GLU A 4 -4.137 13.711 -14.209 1.00 2.44 C ATOM 289 CG GLU A 4 -5.533 13.903 -13.644 1.00 3.05 C ATOM 290 CD GLU A 4 -6.357 12.639 -13.704 1.00 3.65 C ATOM 291 OE1 GLU A 4 -6.507 12.077 -14.807 1.00 4.16 O ATOM 292 OE2 GLU A 4 -6.861 12.202 -12.649 1.00 3.95 O ATOM 0 H GLU A 4 -3.607 13.965 -11.837 1.00 1.38 H new ATOM 0 HA GLU A 4 -3.803 11.702 -13.478 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -3.612 14.666 -14.190 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.215 13.411 -15.254 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -5.460 14.237 -12.609 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -6.041 14.692 -14.199 1.00 3.05 H new ATOM 299 N ASP A 5 -0.952 13.260 -13.649 1.00 0.71 N ATOM 300 CA ASP A 5 0.361 13.274 -14.290 1.00 0.73 C ATOM 301 C ASP A 5 1.155 12.033 -13.898 1.00 0.72 C ATOM 302 O ASP A 5 2.063 11.604 -14.616 1.00 0.90 O ATOM 303 CB ASP A 5 1.127 14.547 -13.918 1.00 1.07 C ATOM 304 CG ASP A 5 2.476 14.653 -14.607 1.00 1.83 C ATOM 305 OD1 ASP A 5 2.512 14.946 -15.822 1.00 2.15 O ATOM 306 OD2 ASP A 5 3.510 14.426 -13.942 1.00 2.57 O ATOM 0 H ASP A 5 -1.027 13.851 -12.821 1.00 0.71 H new ATOM 0 HA ASP A 5 0.220 13.265 -15.371 1.00 0.73 H new ATOM 0 HB2 ASP A 5 0.523 15.416 -14.179 1.00 1.07 H new ATOM 0 HB3 ASP A 5 1.274 14.573 -12.838 1.00 1.07 H new ATOM 311 N ILE A 6 0.794 11.452 -12.763 1.00 0.58 N ATOM 312 CA ILE A 6 1.410 10.220 -12.295 1.00 0.55 C ATOM 313 C ILE A 6 0.949 9.062 -13.177 1.00 0.54 C ATOM 314 O ILE A 6 -0.241 8.968 -13.491 1.00 0.58 O ATOM 315 CB ILE A 6 1.017 9.929 -10.823 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.445 11.085 -9.914 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.632 8.620 -10.341 1.00 0.56 C ATOM 318 CD1 ILE A 6 1.011 10.919 -8.470 1.00 0.69 C ATOM 0 H ILE A 6 0.071 11.819 -12.144 1.00 0.58 H new ATOM 0 HA ILE A 6 2.493 10.330 -12.350 1.00 0.55 H new ATOM 0 HB ILE A 6 -0.068 9.832 -10.777 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.530 11.180 -9.949 1.00 0.63 H new ATOM 0 HG13 ILE A 6 1.031 12.015 -10.304 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.340 8.440 -9.306 1.00 0.56 H new ATOM 0 HG22 ILE A 6 1.278 7.800 -10.965 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.718 8.683 -10.406 1.00 0.56 H new ATOM 0 HD11 ILE A 6 1.350 11.776 -7.887 1.00 0.69 H new ATOM 0 HD12 ILE A 6 -0.076 10.854 -8.422 1.00 0.69 H new ATOM 0 HD13 ILE A 6 1.447 10.007 -8.062 1.00 0.69 H new ATOM 325 N PRO A 7 1.889 8.199 -13.619 1.00 0.53 N ATOM 326 CA PRO A 7 1.574 7.012 -14.424 1.00 0.55 C ATOM 327 C PRO A 7 0.369 6.253 -13.885 1.00 0.53 C ATOM 328 O PRO A 7 0.430 5.628 -12.821 1.00 0.52 O ATOM 329 CB PRO A 7 2.844 6.175 -14.307 1.00 0.55 C ATOM 330 CG PRO A 7 3.929 7.181 -14.168 1.00 0.60 C ATOM 331 CD PRO A 7 3.341 8.319 -13.377 1.00 0.54 C ATOM 0 HA PRO A 7 1.306 7.262 -15.450 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.805 5.509 -13.445 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.991 5.549 -15.187 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.792 6.755 -13.657 1.00 0.60 H new ATOM 0 HG3 PRO A 7 4.273 7.521 -15.145 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.579 8.235 -12.317 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.725 9.282 -13.714 1.00 0.54 H new ATOM 339 N ALA A 8 -0.722 6.306 -14.637 1.00 0.55 N ATOM 340 CA ALA A 8 -2.007 5.792 -14.191 1.00 0.54 C ATOM 341 C ALA A 8 -1.977 4.290 -13.963 1.00 0.55 C ATOM 342 O ALA A 8 -2.804 3.760 -13.217 1.00 0.56 O ATOM 343 CB ALA A 8 -3.093 6.150 -15.191 1.00 0.57 C ATOM 0 H ALA A 8 -0.740 6.707 -15.575 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.229 6.262 -13.233 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.050 5.759 -14.845 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.157 7.234 -15.286 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -2.853 5.714 -16.161 1.00 0.57 H new ATOM 349 N ASP A 9 -1.030 3.603 -14.585 1.00 0.55 N ATOM 350 CA ASP A 9 -0.955 2.157 -14.449 1.00 0.57 C ATOM 351 C ASP A 9 -0.627 1.779 -13.017 1.00 0.54 C ATOM 352 O ASP A 9 -1.107 0.775 -12.495 1.00 0.55 O ATOM 353 CB ASP A 9 0.087 1.566 -15.396 1.00 0.61 C ATOM 354 CG ASP A 9 -0.485 1.287 -16.765 1.00 0.93 C ATOM 355 OD1 ASP A 9 -1.127 0.231 -16.945 1.00 1.33 O ATOM 356 OD2 ASP A 9 -0.286 2.120 -17.675 1.00 1.37 O ATOM 0 H ASP A 9 -0.313 4.017 -15.181 1.00 0.55 H new ATOM 0 HA ASP A 9 -1.929 1.745 -14.714 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.926 2.256 -15.488 1.00 0.61 H new ATOM 0 HB3 ASP A 9 0.479 0.642 -14.972 1.00 0.61 H new ATOM 361 N TYR A 10 0.202 2.611 -12.389 1.00 0.52 N ATOM 362 CA TYR A 10 0.633 2.381 -11.022 1.00 0.50 C ATOM 363 C TYR A 10 -0.386 2.923 -10.032 1.00 0.49 C ATOM 364 O TYR A 10 -0.520 2.393 -8.936 1.00 0.51 O ATOM 365 CB TYR A 10 2.005 3.017 -10.765 1.00 0.52 C ATOM 366 CG TYR A 10 2.487 2.877 -9.333 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.601 1.628 -8.735 1.00 0.59 C ATOM 368 CD2 TYR A 10 2.821 3.996 -8.581 1.00 0.59 C ATOM 369 CE1 TYR A 10 3.036 1.492 -7.428 1.00 0.66 C ATOM 370 CE2 TYR A 10 3.257 3.871 -7.276 1.00 0.66 C ATOM 371 CZ TYR A 10 3.363 2.618 -6.707 1.00 0.70 C ATOM 372 OH TYR A 10 3.796 2.496 -5.412 1.00 0.80 O ATOM 0 H TYR A 10 0.588 3.454 -12.813 1.00 0.52 H new ATOM 0 HA TYR A 10 0.717 1.304 -10.879 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.737 2.560 -11.431 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.958 4.076 -11.021 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.345 0.745 -9.302 1.00 0.59 H new ATOM 0 HD2 TYR A 10 2.739 4.978 -9.023 1.00 0.59 H new ATOM 0 HE1 TYR A 10 3.118 0.513 -6.979 1.00 0.66 H new ATOM 0 HE2 TYR A 10 3.514 4.750 -6.704 1.00 0.66 H new ATOM 0 HH TYR A 10 4.611 1.953 -5.389 1.00 0.80 H new ATOM 382 N ARG A 11 -1.117 3.970 -10.414 1.00 0.48 N ATOM 383 CA ARG A 11 -2.129 4.533 -9.519 1.00 0.49 C ATOM 384 C ARG A 11 -3.236 3.511 -9.316 1.00 0.50 C ATOM 385 O ARG A 11 -3.913 3.487 -8.290 1.00 0.54 O ATOM 386 CB ARG A 11 -2.722 5.830 -10.070 1.00 0.51 C ATOM 387 CG ARG A 11 -1.691 6.835 -10.551 1.00 0.48 C ATOM 388 CD ARG A 11 -2.356 8.121 -11.013 1.00 0.60 C ATOM 389 NE ARG A 11 -3.585 7.862 -11.768 1.00 0.88 N ATOM 390 CZ ARG A 11 -3.957 8.527 -12.861 1.00 1.19 C ATOM 391 NH1 ARG A 11 -3.165 9.447 -13.396 1.00 1.61 N ATOM 392 NH2 ARG A 11 -5.120 8.252 -13.435 1.00 1.73 N ATOM 0 H ARG A 11 -1.032 4.437 -11.317 1.00 0.48 H new ATOM 0 HA ARG A 11 -1.648 4.769 -8.570 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.389 5.588 -10.897 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -3.331 6.295 -9.295 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -0.989 7.054 -9.747 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.114 6.405 -11.370 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -2.586 8.742 -10.147 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -1.661 8.686 -11.634 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.199 7.120 -11.433 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -2.261 9.651 -12.970 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -3.460 9.950 -14.233 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -5.727 7.533 -13.040 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -5.408 8.759 -14.272 1.00 1.73 H new ATOM 406 N ASP A 12 -3.390 2.661 -10.322 1.00 0.48 N ATOM 407 CA ASP A 12 -4.308 1.534 -10.273 1.00 0.50 C ATOM 408 C ASP A 12 -3.843 0.519 -9.232 1.00 0.52 C ATOM 409 O ASP A 12 -4.641 -0.251 -8.697 1.00 0.62 O ATOM 410 CB ASP A 12 -4.374 0.867 -11.649 1.00 0.51 C ATOM 411 CG ASP A 12 -5.643 0.055 -11.831 1.00 0.76 C ATOM 412 OD1 ASP A 12 -6.745 0.614 -11.622 1.00 1.02 O ATOM 413 OD2 ASP A 12 -5.555 -1.134 -12.198 1.00 0.99 O ATOM 0 H ASP A 12 -2.877 2.736 -11.201 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.298 1.895 -9.995 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.319 1.631 -12.424 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -3.508 0.218 -11.779 1.00 0.51 H new ATOM 418 N LEU A 13 -2.540 0.534 -8.954 1.00 0.50 N ATOM 419 CA LEU A 13 -1.937 -0.371 -7.978 1.00 0.53 C ATOM 420 C LEU A 13 -1.781 0.333 -6.633 1.00 0.62 C ATOM 421 O LEU A 13 -1.244 -0.232 -5.684 1.00 0.93 O ATOM 422 CB LEU A 13 -0.552 -0.834 -8.454 1.00 0.49 C ATOM 423 CG LEU A 13 -0.419 -1.140 -9.951 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.988 -1.615 -10.278 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.433 -2.177 -10.385 1.00 0.88 C ATOM 0 H LEU A 13 -1.877 1.170 -9.396 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.593 -1.235 -7.871 1.00 0.53 H new ATOM 0 HB2 LEU A 13 0.174 -0.064 -8.196 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.279 -1.729 -7.895 1.00 0.49 H new ATOM 0 HG LEU A 13 -0.614 -0.218 -10.499 1.00 0.44 H new ATOM 0 HD11 LEU A 13 1.062 -1.827 -11.345 1.00 0.78 H new ATOM 0 HD12 LEU A 13 1.705 -0.839 -10.012 1.00 0.78 H new ATOM 0 HD13 LEU A 13 1.207 -2.521 -9.712 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.317 -2.376 -11.450 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.274 -3.098 -9.825 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -2.439 -1.805 -10.193 1.00 0.88 H new ATOM 437 N MET A 14 -2.233 1.577 -6.569 1.00 0.55 N ATOM 438 CA MET A 14 -2.118 2.374 -5.357 1.00 0.64 C ATOM 439 C MET A 14 -3.412 2.302 -4.560 1.00 0.55 C ATOM 440 O MET A 14 -4.501 2.366 -5.129 1.00 0.53 O ATOM 441 CB MET A 14 -1.792 3.833 -5.705 1.00 0.82 C ATOM 442 CG MET A 14 -0.431 4.008 -6.363 1.00 0.97 C ATOM 443 SD MET A 14 -0.158 5.678 -6.998 1.00 1.15 S ATOM 444 CE MET A 14 -0.058 6.627 -5.485 1.00 1.04 C ATOM 0 H MET A 14 -2.685 2.058 -7.347 1.00 0.55 H new ATOM 0 HA MET A 14 -1.306 1.972 -4.751 1.00 0.64 H new ATOM 0 HB2 MET A 14 -2.562 4.220 -6.372 1.00 0.82 H new ATOM 0 HB3 MET A 14 -1.827 4.432 -4.795 1.00 0.82 H new ATOM 0 HG2 MET A 14 0.349 3.769 -5.640 1.00 0.97 H new ATOM 0 HG3 MET A 14 -0.336 3.295 -7.182 1.00 0.97 H new ATOM 0 HE1 MET A 14 0.214 7.656 -5.718 1.00 1.04 H new ATOM 0 HE2 MET A 14 -1.025 6.613 -4.982 1.00 1.04 H new ATOM 0 HE3 MET A 14 0.698 6.191 -4.831 1.00 1.04 H new ATOM 454 N PRO A 15 -3.306 2.155 -3.230 1.00 0.62 N ATOM 455 CA PRO A 15 -4.473 2.075 -2.349 1.00 0.67 C ATOM 456 C PRO A 15 -5.320 3.344 -2.418 1.00 0.59 C ATOM 457 O PRO A 15 -4.788 4.455 -2.502 1.00 0.57 O ATOM 458 CB PRO A 15 -3.866 1.906 -0.947 1.00 0.88 C ATOM 459 CG PRO A 15 -2.453 2.369 -1.073 1.00 0.90 C ATOM 460 CD PRO A 15 -2.040 2.058 -2.482 1.00 0.74 C ATOM 0 HA PRO A 15 -5.142 1.261 -2.628 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -4.409 2.496 -0.209 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -3.912 0.867 -0.621 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -2.373 3.437 -0.870 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -1.810 1.859 -0.356 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -1.299 2.767 -2.851 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -1.599 1.065 -2.563 1.00 0.74 H new ATOM 468 N PRO A 16 -6.657 3.185 -2.366 1.00 0.65 N ATOM 469 CA PRO A 16 -7.612 4.294 -2.513 1.00 0.70 C ATOM 470 C PRO A 16 -7.425 5.367 -1.451 1.00 0.71 C ATOM 471 O PRO A 16 -7.868 6.504 -1.618 1.00 0.74 O ATOM 472 CB PRO A 16 -8.983 3.624 -2.364 1.00 0.85 C ATOM 473 CG PRO A 16 -8.710 2.325 -1.688 1.00 0.96 C ATOM 474 CD PRO A 16 -7.345 1.903 -2.147 1.00 0.76 C ATOM 0 HA PRO A 16 -7.482 4.810 -3.464 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -9.661 4.241 -1.774 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -9.455 3.472 -3.335 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -8.741 2.434 -0.604 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -9.460 1.580 -1.955 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -6.837 1.296 -1.398 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -7.392 1.309 -3.060 1.00 0.76 H new ATOM 482 N GLU A 17 -6.755 4.992 -0.369 1.00 0.78 N ATOM 483 CA GLU A 17 -6.432 5.917 0.703 1.00 0.89 C ATOM 484 C GLU A 17 -5.520 7.022 0.170 1.00 0.84 C ATOM 485 O GLU A 17 -5.831 8.209 0.255 1.00 1.13 O ATOM 486 CB GLU A 17 -5.729 5.164 1.839 1.00 1.09 C ATOM 487 CG GLU A 17 -6.407 3.856 2.231 1.00 1.48 C ATOM 488 CD GLU A 17 -7.706 4.055 2.986 1.00 1.36 C ATOM 489 OE1 GLU A 17 -8.672 4.579 2.394 1.00 1.65 O ATOM 490 OE2 GLU A 17 -7.775 3.667 4.171 1.00 1.83 O ATOM 0 H GLU A 17 -6.422 4.041 -0.212 1.00 0.78 H new ATOM 0 HA GLU A 17 -7.350 6.364 1.085 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -4.702 4.953 1.540 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -5.680 5.812 2.714 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -6.604 3.273 1.331 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -5.723 3.271 2.846 1.00 1.48 H new ATOM 497 N ALA A 18 -4.404 6.607 -0.421 1.00 0.72 N ATOM 498 CA ALA A 18 -3.425 7.540 -0.957 1.00 0.73 C ATOM 499 C ALA A 18 -3.966 8.250 -2.192 1.00 0.62 C ATOM 500 O ALA A 18 -3.583 9.386 -2.487 1.00 0.72 O ATOM 501 CB ALA A 18 -2.132 6.812 -1.289 1.00 0.82 C ATOM 0 H ALA A 18 -4.156 5.625 -0.540 1.00 0.72 H new ATOM 0 HA ALA A 18 -3.220 8.293 -0.196 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -1.408 7.521 -1.689 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -1.730 6.354 -0.385 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -2.330 6.038 -2.031 1.00 0.82 H new ATOM 507 N ARG A 19 -4.858 7.574 -2.907 1.00 0.52 N ATOM 508 CA ARG A 19 -5.460 8.136 -4.109 1.00 0.49 C ATOM 509 C ARG A 19 -6.356 9.320 -3.763 1.00 0.50 C ATOM 510 O ARG A 19 -6.251 10.374 -4.381 1.00 0.52 O ATOM 511 CB ARG A 19 -6.239 7.061 -4.873 1.00 0.52 C ATOM 512 CG ARG A 19 -5.342 5.998 -5.491 1.00 0.64 C ATOM 513 CD ARG A 19 -6.139 4.861 -6.118 1.00 0.72 C ATOM 514 NE ARG A 19 -7.005 5.311 -7.208 1.00 1.01 N ATOM 515 CZ ARG A 19 -7.398 4.531 -8.217 1.00 1.43 C ATOM 516 NH1 ARG A 19 -6.927 3.295 -8.330 1.00 1.46 N ATOM 517 NH2 ARG A 19 -8.239 4.998 -9.132 1.00 2.16 N ATOM 0 H ARG A 19 -5.180 6.635 -2.674 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.661 8.500 -4.756 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -6.945 6.582 -4.195 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.825 7.536 -5.660 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.709 6.457 -6.251 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -4.679 5.595 -4.725 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -5.450 4.105 -6.495 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -6.747 4.383 -5.350 1.00 0.72 H new ATOM 0 HE ARG A 19 -7.328 6.279 -7.196 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -6.262 2.938 -7.644 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -7.230 2.702 -9.103 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -8.586 5.955 -9.065 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -8.538 4.400 -9.902 1.00 2.16 H new ATOM 531 N ASP A 20 -7.231 9.143 -2.770 1.00 0.53 N ATOM 532 CA ASP A 20 -8.095 10.232 -2.295 1.00 0.57 C ATOM 533 C ASP A 20 -7.274 11.459 -1.926 1.00 0.56 C ATOM 534 O ASP A 20 -7.610 12.574 -2.315 1.00 0.57 O ATOM 535 CB ASP A 20 -8.924 9.795 -1.088 1.00 0.63 C ATOM 536 CG ASP A 20 -9.807 10.909 -0.555 1.00 0.80 C ATOM 537 OD1 ASP A 20 -10.898 11.130 -1.122 1.00 1.06 O ATOM 538 OD2 ASP A 20 -9.423 11.564 0.437 1.00 0.98 O ATOM 0 H ASP A 20 -7.361 8.259 -2.279 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.770 10.487 -3.112 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -9.546 8.945 -1.367 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -8.256 9.455 -0.297 1.00 0.63 H new ATOM 543 N PHE A 21 -6.201 11.237 -1.177 1.00 0.57 N ATOM 544 CA PHE A 21 -5.283 12.307 -0.793 1.00 0.57 C ATOM 545 C PHE A 21 -4.793 13.079 -2.022 1.00 0.55 C ATOM 546 O PHE A 21 -5.061 14.271 -2.132 1.00 0.64 O ATOM 547 CB PHE A 21 -4.113 11.740 0.016 1.00 0.60 C ATOM 548 CG PHE A 21 -3.292 12.775 0.740 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.733 13.317 1.936 1.00 0.62 C ATOM 550 CD2 PHE A 21 -2.088 13.218 0.212 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.989 14.278 2.593 1.00 0.65 C ATOM 552 CE2 PHE A 21 -1.339 14.180 0.866 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.768 14.663 2.097 1.00 0.63 C ATOM 0 H PHE A 21 -5.942 10.317 -0.820 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.820 13.013 -0.160 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.503 11.029 0.745 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.460 11.182 -0.656 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.669 12.985 2.360 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.731 12.807 -0.721 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -3.369 14.727 3.499 1.00 0.65 H new ATOM 0 HE2 PHE A 21 -0.427 14.553 0.423 1.00 0.65 H new ATOM 0 HZ PHE A 21 -1.143 15.339 2.661 1.00 0.63 H new ATOM 563 N LEU A 22 -4.129 12.438 -2.965 1.00 0.56 N ATOM 564 CA LEU A 22 -3.624 13.176 -4.126 1.00 0.55 C ATOM 565 C LEU A 22 -4.736 13.545 -5.111 1.00 0.54 C ATOM 566 O LEU A 22 -4.488 14.245 -6.091 1.00 0.57 O ATOM 567 CB LEU A 22 -2.493 12.429 -4.825 1.00 0.56 C ATOM 568 CG LEU A 22 -1.196 12.331 -4.026 1.00 0.65 C ATOM 569 CD1 LEU A 22 -0.157 11.529 -4.792 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.670 13.722 -3.706 1.00 1.13 C ATOM 0 H LEU A 22 -3.927 11.438 -2.961 1.00 0.56 H new ATOM 0 HA LEU A 22 -3.215 14.110 -3.742 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.834 11.421 -5.061 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.282 12.924 -5.773 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.402 11.814 -3.089 1.00 0.65 H new ATOM 0 HD11 LEU A 22 0.761 11.470 -4.207 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.536 10.524 -4.975 1.00 1.04 H new ATOM 0 HD13 LEU A 22 0.050 12.018 -5.744 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.255 13.639 -3.136 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.477 14.261 -4.634 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -1.411 14.265 -3.119 1.00 1.13 H new ATOM 582 N GLN A 23 -5.948 13.090 -4.858 1.00 0.52 N ATOM 583 CA GLN A 23 -7.117 13.667 -5.501 1.00 0.52 C ATOM 584 C GLN A 23 -7.428 15.063 -4.948 1.00 0.53 C ATOM 585 O GLN A 23 -7.675 15.997 -5.714 1.00 0.54 O ATOM 586 CB GLN A 23 -8.328 12.754 -5.323 1.00 0.53 C ATOM 587 CG GLN A 23 -8.332 11.570 -6.275 1.00 0.78 C ATOM 588 CD GLN A 23 -9.628 10.789 -6.228 1.00 1.38 C ATOM 589 OE1 GLN A 23 -9.695 9.806 -5.347 1.00 2.05 O flip ATOM 590 NE2 GLN A 23 -10.564 11.071 -6.977 1.00 2.06 N flip ATOM 0 H GLN A 23 -6.151 12.325 -4.214 1.00 0.52 H new ATOM 0 HA GLN A 23 -6.895 13.765 -6.564 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -8.350 12.387 -4.297 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -9.238 13.335 -5.473 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -8.163 11.925 -7.291 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -7.503 10.907 -6.027 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -10.471 11.838 -7.643 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -11.432 10.538 -6.931 1.00 2.06 H new ATOM 599 N ASN A 24 -7.411 15.212 -3.623 1.00 0.58 N ATOM 600 CA ASN A 24 -7.788 16.487 -3.008 1.00 0.65 C ATOM 601 C ASN A 24 -6.629 17.488 -2.975 1.00 0.60 C ATOM 602 O ASN A 24 -6.866 18.698 -2.951 1.00 0.63 O ATOM 603 CB ASN A 24 -8.414 16.306 -1.611 1.00 0.85 C ATOM 604 CG ASN A 24 -7.489 15.714 -0.564 1.00 1.10 C ATOM 605 OD1 ASN A 24 -7.600 14.414 -0.335 1.00 1.84 O flip ATOM 606 ND2 ASN A 24 -6.711 16.425 0.068 1.00 1.21 N flip ATOM 0 H ASN A 24 -7.145 14.480 -2.964 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.559 16.911 -3.652 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -8.764 17.276 -1.258 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -9.291 15.665 -1.703 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -6.652 17.423 -0.135 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -6.124 16.017 0.796 1.00 1.21 H new ATOM 613 N LEU A 25 -5.390 17.009 -2.953 1.00 0.60 N ATOM 614 CA LEU A 25 -4.244 17.871 -3.211 1.00 0.65 C ATOM 615 C LEU A 25 -4.316 18.416 -4.634 1.00 0.64 C ATOM 616 O LEU A 25 -4.584 17.674 -5.581 1.00 0.64 O ATOM 617 CB LEU A 25 -2.934 17.101 -3.011 1.00 0.76 C ATOM 618 CG LEU A 25 -2.477 16.885 -1.568 1.00 0.59 C ATOM 619 CD1 LEU A 25 -2.014 18.183 -0.974 1.00 0.81 C ATOM 620 CD2 LEU A 25 -3.571 16.301 -0.707 1.00 1.05 C ATOM 0 H LEU A 25 -5.155 16.035 -2.761 1.00 0.60 H new ATOM 0 HA LEU A 25 -4.268 18.702 -2.506 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -3.038 16.125 -3.485 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -2.143 17.631 -3.542 1.00 0.76 H new ATOM 0 HG LEU A 25 -1.653 16.172 -1.594 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.691 18.018 0.054 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -1.181 18.574 -1.558 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.834 18.901 -0.986 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -3.201 16.165 0.309 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -4.425 16.978 -0.694 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -3.878 15.337 -1.113 1.00 1.05 H new ATOM 632 N SER A 26 -4.064 19.716 -4.782 1.00 0.73 N ATOM 633 CA SER A 26 -4.212 20.385 -6.075 1.00 0.83 C ATOM 634 C SER A 26 -3.413 21.692 -6.147 1.00 1.02 C ATOM 635 O SER A 26 -3.982 22.748 -6.433 1.00 1.78 O ATOM 636 CB SER A 26 -5.687 20.687 -6.346 1.00 0.93 C ATOM 637 OG SER A 26 -6.475 19.509 -6.352 1.00 1.72 O ATOM 0 H SER A 26 -3.757 20.326 -4.025 1.00 0.73 H new ATOM 0 HA SER A 26 -3.820 19.705 -6.831 1.00 0.83 H new ATOM 0 HB2 SER A 26 -6.063 21.372 -5.586 1.00 0.93 H new ATOM 0 HB3 SER A 26 -5.783 21.193 -7.306 1.00 0.93 H new ATOM 0 HG SER A 26 -6.777 19.322 -7.265 1.00 1.72 H new ATOM 643 N ASP A 27 -2.106 21.612 -5.883 1.00 0.96 N ATOM 644 CA ASP A 27 -1.200 22.769 -5.991 1.00 1.11 C ATOM 645 C ASP A 27 -1.441 23.769 -4.859 1.00 1.13 C ATOM 646 O ASP A 27 -2.573 23.985 -4.426 1.00 1.95 O ATOM 647 CB ASP A 27 -1.328 23.448 -7.364 1.00 1.42 C ATOM 648 CG ASP A 27 -0.533 24.737 -7.468 1.00 1.84 C ATOM 649 OD1 ASP A 27 0.701 24.696 -7.264 1.00 2.39 O ATOM 650 OD2 ASP A 27 -1.134 25.798 -7.734 1.00 2.19 O ATOM 0 H ASP A 27 -1.644 20.751 -5.590 1.00 0.96 H new ATOM 0 HA ASP A 27 -0.179 22.399 -5.896 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -0.991 22.757 -8.137 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -2.379 23.659 -7.561 1.00 1.42 H new ATOM 655 N GLY A 28 -0.364 24.371 -4.371 1.00 0.93 N ATOM 656 CA GLY A 28 -0.458 25.223 -3.200 1.00 0.87 C ATOM 657 C GLY A 28 -0.343 24.408 -1.934 1.00 0.75 C ATOM 658 O GLY A 28 0.436 24.730 -1.033 1.00 0.73 O ATOM 0 H GLY A 28 0.573 24.285 -4.765 1.00 0.93 H new ATOM 0 HA2 GLY A 28 0.331 25.975 -3.227 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -1.408 25.758 -3.209 1.00 0.87 H new ATOM 662 N ASP A 29 -1.121 23.342 -1.881 1.00 0.70 N ATOM 663 CA ASP A 29 -1.046 22.373 -0.800 1.00 0.67 C ATOM 664 C ASP A 29 0.139 21.438 -1.010 1.00 0.59 C ATOM 665 O ASP A 29 0.950 21.240 -0.116 1.00 0.60 O ATOM 666 CB ASP A 29 -2.362 21.584 -0.689 1.00 0.80 C ATOM 667 CG ASP A 29 -2.947 21.150 -2.032 1.00 1.47 C ATOM 668 OD1 ASP A 29 -2.196 21.016 -3.020 1.00 2.25 O ATOM 669 OD2 ASP A 29 -4.174 20.944 -2.103 1.00 1.74 O ATOM 0 H ASP A 29 -1.824 23.122 -2.587 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.896 22.906 0.139 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -2.191 20.699 -0.077 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -3.097 22.196 -0.166 1.00 0.80 H new ATOM 674 N LYS A 30 0.247 20.889 -2.211 1.00 0.63 N ATOM 675 CA LYS A 30 1.389 20.056 -2.596 1.00 0.65 C ATOM 676 C LYS A 30 2.699 20.807 -2.386 1.00 0.61 C ATOM 677 O LYS A 30 3.753 20.209 -2.169 1.00 0.65 O ATOM 678 CB LYS A 30 1.272 19.658 -4.063 1.00 0.78 C ATOM 679 CG LYS A 30 0.031 18.848 -4.388 1.00 0.92 C ATOM 680 CD LYS A 30 -0.159 18.728 -5.888 1.00 0.89 C ATOM 681 CE LYS A 30 -1.375 17.892 -6.235 1.00 0.96 C ATOM 682 NZ LYS A 30 -1.684 17.960 -7.686 1.00 1.31 N ATOM 0 H LYS A 30 -0.449 21.005 -2.948 1.00 0.63 H new ATOM 0 HA LYS A 30 1.386 19.164 -1.970 1.00 0.65 H new ATOM 0 HB2 LYS A 30 1.274 20.560 -4.674 1.00 0.78 H new ATOM 0 HB3 LYS A 30 2.153 19.081 -4.343 1.00 0.78 H new ATOM 0 HG2 LYS A 30 0.114 17.855 -3.947 1.00 0.92 H new ATOM 0 HG3 LYS A 30 -0.844 19.322 -3.943 1.00 0.92 H new ATOM 0 HD2 LYS A 30 -0.265 19.722 -6.322 1.00 0.89 H new ATOM 0 HD3 LYS A 30 0.730 18.280 -6.332 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -1.200 16.855 -5.947 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -2.234 18.241 -5.662 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -2.160 17.084 -7.981 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -2.308 18.772 -7.870 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -0.801 18.073 -8.224 1.00 1.31 H new ATOM 696 N THR A 31 2.609 22.127 -2.449 1.00 0.60 N ATOM 697 CA THR A 31 3.754 23.000 -2.298 1.00 0.61 C ATOM 698 C THR A 31 4.345 22.893 -0.896 1.00 0.52 C ATOM 699 O THR A 31 5.552 23.017 -0.707 1.00 0.54 O ATOM 700 CB THR A 31 3.328 24.451 -2.550 1.00 0.68 C ATOM 701 OG1 THR A 31 2.559 24.517 -3.762 1.00 0.80 O ATOM 702 CG2 THR A 31 4.535 25.368 -2.657 1.00 0.76 C ATOM 0 H THR A 31 1.731 22.622 -2.608 1.00 0.60 H new ATOM 0 HA THR A 31 4.511 22.696 -3.021 1.00 0.61 H new ATOM 0 HB THR A 31 2.724 24.785 -1.707 1.00 0.68 H new ATOM 0 HG1 THR A 31 2.420 25.455 -4.010 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.201 26.390 -2.836 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.105 25.330 -1.728 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.167 25.043 -3.484 1.00 0.76 H new ATOM 710 N VAL A 32 3.489 22.655 0.082 1.00 0.50 N ATOM 711 CA VAL A 32 3.933 22.574 1.455 1.00 0.50 C ATOM 712 C VAL A 32 4.300 21.132 1.816 1.00 0.47 C ATOM 713 O VAL A 32 5.091 20.895 2.731 1.00 0.48 O ATOM 714 CB VAL A 32 2.867 23.139 2.414 1.00 0.57 C ATOM 715 CG1 VAL A 32 1.694 22.197 2.563 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.475 23.459 3.756 1.00 0.85 C ATOM 0 H VAL A 32 2.487 22.516 -0.052 1.00 0.50 H new ATOM 0 HA VAL A 32 4.828 23.186 1.563 1.00 0.50 H new ATOM 0 HB VAL A 32 2.488 24.063 1.978 1.00 0.57 H new ATOM 0 HG11 VAL A 32 0.964 22.630 3.247 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.230 22.037 1.590 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.041 21.243 2.960 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.706 23.857 4.418 1.00 0.85 H new ATOM 0 HG22 VAL A 32 3.895 22.552 4.191 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.264 24.200 3.630 1.00 0.85 H new ATOM 720 N LEU A 33 3.731 20.171 1.083 1.00 0.48 N ATOM 721 CA LEU A 33 4.131 18.773 1.194 1.00 0.49 C ATOM 722 C LEU A 33 5.636 18.618 0.979 1.00 0.50 C ATOM 723 O LEU A 33 6.324 17.984 1.778 1.00 0.54 O ATOM 724 CB LEU A 33 3.380 17.914 0.161 1.00 0.53 C ATOM 725 CG LEU A 33 2.036 17.308 0.599 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.226 16.391 1.789 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.011 18.377 0.919 1.00 0.74 C ATOM 0 H LEU A 33 2.989 20.341 0.404 1.00 0.48 H new ATOM 0 HA LEU A 33 3.879 18.434 2.199 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.203 18.526 -0.723 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.036 17.098 -0.142 1.00 0.53 H new ATOM 0 HG LEU A 33 1.656 16.726 -0.240 1.00 0.58 H new ATOM 0 HD11 LEU A 33 1.263 15.973 2.083 1.00 0.98 H new ATOM 0 HD12 LEU A 33 2.906 15.583 1.521 1.00 0.98 H new ATOM 0 HD13 LEU A 33 2.645 16.957 2.621 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.077 17.906 1.224 1.00 0.74 H new ATOM 0 HD22 LEU A 33 1.381 19.006 1.729 1.00 0.74 H new ATOM 0 HD23 LEU A 33 0.836 18.990 0.035 1.00 0.74 H new ATOM 739 N LYS A 34 6.147 19.221 -0.094 1.00 0.51 N ATOM 740 CA LYS A 34 7.557 19.078 -0.451 1.00 0.56 C ATOM 741 C LYS A 34 8.465 19.710 0.601 1.00 0.53 C ATOM 742 O LYS A 34 9.604 19.286 0.782 1.00 0.59 O ATOM 743 CB LYS A 34 7.832 19.683 -1.831 1.00 0.65 C ATOM 744 CG LYS A 34 7.578 21.178 -1.924 1.00 0.93 C ATOM 745 CD LYS A 34 7.647 21.676 -3.361 1.00 0.89 C ATOM 746 CE LYS A 34 9.010 21.421 -3.991 1.00 1.70 C ATOM 747 NZ LYS A 34 9.088 21.948 -5.377 1.00 2.41 N ATOM 0 H LYS A 34 5.608 19.811 -0.728 1.00 0.51 H new ATOM 0 HA LYS A 34 7.781 18.012 -0.489 1.00 0.56 H new ATOM 0 HB2 LYS A 34 8.870 19.486 -2.100 1.00 0.65 H new ATOM 0 HB3 LYS A 34 7.210 19.175 -2.567 1.00 0.65 H new ATOM 0 HG2 LYS A 34 6.597 21.406 -1.507 1.00 0.93 H new ATOM 0 HG3 LYS A 34 8.313 21.710 -1.320 1.00 0.93 H new ATOM 0 HD2 LYS A 34 6.876 21.182 -3.953 1.00 0.89 H new ATOM 0 HD3 LYS A 34 7.431 22.744 -3.385 1.00 0.89 H new ATOM 0 HE2 LYS A 34 9.784 21.887 -3.382 1.00 1.70 H new ATOM 0 HE3 LYS A 34 9.212 20.350 -3.998 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 10.031 21.754 -5.770 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 8.366 21.485 -5.966 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 8.921 22.974 -5.368 1.00 2.41 H new ATOM 761 N GLU A 35 7.949 20.716 1.296 1.00 0.47 N ATOM 762 CA GLU A 35 8.685 21.365 2.372 1.00 0.47 C ATOM 763 C GLU A 35 8.870 20.400 3.539 1.00 0.46 C ATOM 764 O GLU A 35 9.922 20.378 4.174 1.00 0.57 O ATOM 765 CB GLU A 35 7.958 22.627 2.836 1.00 0.47 C ATOM 766 CG GLU A 35 7.740 23.649 1.730 1.00 0.61 C ATOM 767 CD GLU A 35 7.172 24.954 2.249 1.00 1.26 C ATOM 768 OE1 GLU A 35 7.929 25.759 2.826 1.00 1.47 O ATOM 769 OE2 GLU A 35 5.957 25.186 2.067 1.00 1.96 O ATOM 0 H GLU A 35 7.019 21.101 1.132 1.00 0.47 H new ATOM 0 HA GLU A 35 9.666 21.653 1.996 1.00 0.47 H new ATOM 0 HB2 GLU A 35 6.992 22.346 3.254 1.00 0.47 H new ATOM 0 HB3 GLU A 35 8.530 23.091 3.639 1.00 0.47 H new ATOM 0 HG2 GLU A 35 8.688 23.843 1.228 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.063 23.233 0.984 1.00 0.61 H new ATOM 776 N VAL A 36 7.854 19.592 3.793 1.00 0.41 N ATOM 777 CA VAL A 36 7.913 18.580 4.841 1.00 0.42 C ATOM 778 C VAL A 36 8.808 17.418 4.412 1.00 0.50 C ATOM 779 O VAL A 36 9.751 17.049 5.108 1.00 0.62 O ATOM 780 CB VAL A 36 6.496 18.058 5.164 1.00 0.43 C ATOM 781 CG1 VAL A 36 6.548 16.855 6.092 1.00 0.98 C ATOM 782 CG2 VAL A 36 5.653 19.171 5.767 1.00 0.74 C ATOM 0 H VAL A 36 6.970 19.616 3.284 1.00 0.41 H new ATOM 0 HA VAL A 36 8.335 19.038 5.736 1.00 0.42 H new ATOM 0 HB VAL A 36 6.032 17.733 4.233 1.00 0.43 H new ATOM 0 HG11 VAL A 36 5.535 16.512 6.300 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.112 16.053 5.617 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.034 17.137 7.026 1.00 0.98 H new ATOM 0 HG21 VAL A 36 4.656 18.792 5.991 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.121 19.525 6.685 1.00 0.74 H new ATOM 0 HG23 VAL A 36 5.577 19.995 5.057 1.00 0.74 H new ATOM 786 N PHE A 37 8.494 16.867 3.253 1.00 0.49 N ATOM 787 CA PHE A 37 9.243 15.781 2.640 1.00 0.54 C ATOM 788 C PHE A 37 10.734 16.059 2.477 1.00 0.59 C ATOM 789 O PHE A 37 11.554 15.199 2.795 1.00 0.66 O ATOM 790 CB PHE A 37 8.596 15.469 1.299 1.00 0.57 C ATOM 791 CG PHE A 37 7.440 14.530 1.493 1.00 0.57 C ATOM 792 CD1 PHE A 37 6.190 15.020 1.826 1.00 0.74 C ATOM 793 CD2 PHE A 37 7.586 13.170 1.284 1.00 0.66 C ATOM 794 CE1 PHE A 37 5.110 14.169 1.958 1.00 0.83 C ATOM 795 CE2 PHE A 37 6.508 12.315 1.408 1.00 0.68 C ATOM 796 CZ PHE A 37 5.337 12.775 1.959 1.00 0.71 C ATOM 0 H PHE A 37 7.693 17.168 2.698 1.00 0.49 H new ATOM 0 HA PHE A 37 9.199 14.924 3.312 1.00 0.54 H new ATOM 0 HB2 PHE A 37 8.252 16.390 0.829 1.00 0.57 H new ATOM 0 HB3 PHE A 37 9.329 15.023 0.627 1.00 0.57 H new ATOM 0 HD1 PHE A 37 6.057 16.080 1.985 1.00 0.74 H new ATOM 0 HD2 PHE A 37 8.555 12.772 1.021 1.00 0.66 H new ATOM 0 HE1 PHE A 37 4.109 14.563 2.059 1.00 0.83 H new ATOM 0 HE2 PHE A 37 6.586 11.291 1.074 1.00 0.68 H new ATOM 0 HZ PHE A 37 4.613 12.093 2.380 1.00 0.71 H new ATOM 806 N LYS A 38 11.106 17.244 2.002 1.00 0.60 N ATOM 807 CA LYS A 38 12.523 17.537 1.798 1.00 0.69 C ATOM 808 C LYS A 38 13.206 17.897 3.114 1.00 0.78 C ATOM 809 O LYS A 38 14.411 18.142 3.155 1.00 1.02 O ATOM 810 CB LYS A 38 12.731 18.638 0.755 1.00 0.75 C ATOM 811 CG LYS A 38 12.410 18.198 -0.665 1.00 0.76 C ATOM 812 CD LYS A 38 12.890 19.214 -1.691 1.00 0.91 C ATOM 813 CE LYS A 38 12.114 20.518 -1.602 1.00 1.37 C ATOM 814 NZ LYS A 38 12.681 21.566 -2.496 1.00 2.18 N ATOM 0 H LYS A 38 10.466 18.000 1.756 1.00 0.60 H new ATOM 0 HA LYS A 38 12.987 16.629 1.412 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.106 19.493 1.012 1.00 0.75 H new ATOM 0 HB3 LYS A 38 13.766 18.976 0.797 1.00 0.75 H new ATOM 0 HG2 LYS A 38 12.878 17.233 -0.862 1.00 0.76 H new ATOM 0 HG3 LYS A 38 11.334 18.057 -0.768 1.00 0.76 H new ATOM 0 HD2 LYS A 38 13.951 19.412 -1.538 1.00 0.91 H new ATOM 0 HD3 LYS A 38 12.785 18.796 -2.692 1.00 0.91 H new ATOM 0 HE2 LYS A 38 11.072 20.339 -1.868 1.00 1.37 H new ATOM 0 HE3 LYS A 38 12.123 20.876 -0.572 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 12.123 22.439 -2.405 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 13.667 21.756 -2.226 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 12.649 21.236 -3.482 1.00 2.18 H new ATOM 828 N ALA A 39 12.428 17.915 4.187 1.00 0.71 N ATOM 829 CA ALA A 39 12.962 18.085 5.530 1.00 0.87 C ATOM 830 C ALA A 39 13.061 16.729 6.218 1.00 0.82 C ATOM 831 O ALA A 39 13.192 16.637 7.442 1.00 1.56 O ATOM 832 CB ALA A 39 12.091 19.039 6.336 1.00 1.06 C ATOM 0 H ALA A 39 11.414 17.813 4.151 1.00 0.71 H new ATOM 0 HA ALA A 39 13.960 18.519 5.464 1.00 0.87 H new ATOM 0 HB1 ALA A 39 12.507 19.153 7.337 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.062 20.010 5.842 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.080 18.637 6.406 1.00 1.06 H new ATOM 838 N GLY A 40 13.005 15.676 5.413 1.00 0.78 N ATOM 839 CA GLY A 40 13.166 14.335 5.925 1.00 1.03 C ATOM 840 C GLY A 40 14.626 13.920 5.957 1.00 1.29 C ATOM 841 O GLY A 40 15.511 14.779 5.920 1.00 1.54 O ATOM 0 H GLY A 40 12.849 15.731 4.406 1.00 0.78 H new ATOM 0 HA2 GLY A 40 12.748 14.276 6.930 1.00 1.03 H new ATOM 0 HA3 GLY A 40 12.603 13.638 5.305 1.00 1.03 H new ATOM 845 N PRO A 41 14.921 12.614 6.022 1.00 1.37 N ATOM 846 CA PRO A 41 13.903 11.560 6.088 1.00 1.22 C ATOM 847 C PRO A 41 13.233 11.489 7.456 1.00 1.09 C ATOM 848 O PRO A 41 13.756 12.010 8.442 1.00 1.18 O ATOM 849 CB PRO A 41 14.706 10.286 5.823 1.00 1.37 C ATOM 850 CG PRO A 41 16.077 10.596 6.304 1.00 1.60 C ATOM 851 CD PRO A 41 16.287 12.058 6.034 1.00 1.68 C ATOM 0 HA PRO A 41 13.091 11.728 5.381 1.00 1.22 H new ATOM 0 HB2 PRO A 41 14.283 9.434 6.355 1.00 1.37 H new ATOM 0 HB3 PRO A 41 14.706 10.032 4.763 1.00 1.37 H new ATOM 0 HG2 PRO A 41 16.177 10.377 7.367 1.00 1.60 H new ATOM 0 HG3 PRO A 41 16.820 9.992 5.783 1.00 1.60 H new ATOM 0 HD2 PRO A 41 16.901 12.523 6.805 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.793 12.220 5.082 1.00 1.68 H new ATOM 859 N TYR A 42 12.067 10.868 7.506 1.00 0.99 N ATOM 860 CA TYR A 42 11.352 10.690 8.758 1.00 0.92 C ATOM 861 C TYR A 42 11.312 9.220 9.136 1.00 0.97 C ATOM 862 O TYR A 42 10.913 8.368 8.340 1.00 1.08 O ATOM 863 CB TYR A 42 9.934 11.257 8.664 1.00 0.85 C ATOM 864 CG TYR A 42 9.904 12.758 8.502 1.00 0.87 C ATOM 865 CD1 TYR A 42 9.990 13.593 9.608 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.794 13.340 7.246 1.00 0.99 C ATOM 867 CE1 TYR A 42 9.968 14.968 9.466 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.769 14.712 7.098 1.00 1.10 C ATOM 869 CZ TYR A 42 9.858 15.521 8.210 1.00 1.12 C ATOM 870 OH TYR A 42 9.844 16.889 8.062 1.00 1.28 O ATOM 0 H TYR A 42 11.594 10.477 6.691 1.00 0.99 H new ATOM 0 HA TYR A 42 11.884 11.238 9.536 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.421 10.796 7.820 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.380 10.984 9.562 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.075 13.162 10.594 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.727 12.709 6.372 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.037 15.605 10.336 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.680 15.150 6.115 1.00 1.10 H new ATOM 0 HH TYR A 42 9.746 17.114 7.113 1.00 1.28 H new ATOM 880 N LYS A 43 11.741 8.948 10.357 1.00 0.96 N ATOM 881 CA LYS A 43 11.811 7.596 10.892 1.00 1.01 C ATOM 882 C LYS A 43 10.415 6.992 11.038 1.00 0.98 C ATOM 883 O LYS A 43 10.250 5.771 11.067 1.00 1.06 O ATOM 884 CB LYS A 43 12.530 7.639 12.249 1.00 1.10 C ATOM 885 CG LYS A 43 12.636 6.298 12.960 1.00 1.72 C ATOM 886 CD LYS A 43 13.361 5.261 12.119 1.00 2.26 C ATOM 887 CE LYS A 43 14.801 5.663 11.822 1.00 2.94 C ATOM 888 NZ LYS A 43 15.594 5.894 13.058 1.00 3.51 N ATOM 0 H LYS A 43 12.054 9.665 11.012 1.00 0.96 H new ATOM 0 HA LYS A 43 12.368 6.962 10.202 1.00 1.01 H new ATOM 0 HB2 LYS A 43 13.534 8.035 12.099 1.00 1.10 H new ATOM 0 HB3 LYS A 43 12.005 8.339 12.900 1.00 1.10 H new ATOM 0 HG2 LYS A 43 13.162 6.430 13.905 1.00 1.72 H new ATOM 0 HG3 LYS A 43 11.636 5.935 13.200 1.00 1.72 H new ATOM 0 HD2 LYS A 43 13.353 4.304 12.640 1.00 2.26 H new ATOM 0 HD3 LYS A 43 12.825 5.118 11.181 1.00 2.26 H new ATOM 0 HE2 LYS A 43 15.278 4.883 11.229 1.00 2.94 H new ATOM 0 HE3 LYS A 43 14.804 6.570 11.217 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 16.599 5.997 12.811 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 15.262 6.761 13.527 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 15.477 5.086 13.702 1.00 3.51 H new ATOM 902 N ASN A 44 9.418 7.860 11.113 1.00 0.88 N ATOM 903 CA ASN A 44 8.039 7.448 11.334 1.00 0.85 C ATOM 904 C ASN A 44 7.084 8.482 10.751 1.00 0.80 C ATOM 905 O ASN A 44 7.327 9.689 10.836 1.00 0.85 O ATOM 906 CB ASN A 44 7.766 7.249 12.836 1.00 0.89 C ATOM 907 CG ASN A 44 8.500 8.244 13.731 1.00 0.95 C ATOM 908 OD1 ASN A 44 8.840 7.930 14.871 1.00 1.52 O ATOM 909 ND2 ASN A 44 8.748 9.446 13.235 1.00 1.10 N ATOM 0 H ASN A 44 9.541 8.869 11.023 1.00 0.88 H new ATOM 0 HA ASN A 44 7.876 6.496 10.829 1.00 0.85 H new ATOM 0 HB2 ASN A 44 6.694 7.334 13.016 1.00 0.89 H new ATOM 0 HB3 ASN A 44 8.057 6.237 13.118 1.00 0.89 H new ATOM 0 HD21 ASN A 44 9.233 10.141 13.802 1.00 1.10 H new ATOM 0 HD22 ASN A 44 8.454 9.677 12.286 1.00 1.10 H new ATOM 916 N THR A 45 6.000 7.985 10.164 1.00 0.77 N ATOM 917 CA THR A 45 5.014 8.805 9.462 1.00 0.76 C ATOM 918 C THR A 45 4.412 9.885 10.364 1.00 0.74 C ATOM 919 O THR A 45 4.013 10.951 9.891 1.00 0.92 O ATOM 920 CB THR A 45 3.891 7.906 8.894 1.00 0.84 C ATOM 921 OG1 THR A 45 4.443 7.000 7.931 1.00 1.05 O ATOM 922 CG2 THR A 45 2.780 8.722 8.246 1.00 1.18 C ATOM 0 H THR A 45 5.777 6.990 10.161 1.00 0.77 H new ATOM 0 HA THR A 45 5.531 9.312 8.647 1.00 0.76 H new ATOM 0 HB THR A 45 3.456 7.353 9.727 1.00 0.84 H new ATOM 0 HG1 THR A 45 3.731 6.430 7.573 1.00 1.05 H new ATOM 0 HG21 THR A 45 2.013 8.051 7.861 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.340 9.390 8.987 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.192 9.311 7.426 1.00 1.18 H new ATOM 930 N GLU A 46 4.368 9.609 11.661 1.00 0.72 N ATOM 931 CA GLU A 46 3.830 10.550 12.639 1.00 0.71 C ATOM 932 C GLU A 46 4.566 11.889 12.599 1.00 0.66 C ATOM 933 O GLU A 46 3.963 12.943 12.797 1.00 0.65 O ATOM 934 CB GLU A 46 3.915 9.945 14.040 1.00 0.79 C ATOM 935 CG GLU A 46 3.197 8.614 14.157 1.00 1.41 C ATOM 936 CD GLU A 46 3.189 8.078 15.569 1.00 1.82 C ATOM 937 OE1 GLU A 46 4.139 7.365 15.945 1.00 2.24 O ATOM 938 OE2 GLU A 46 2.224 8.365 16.309 1.00 2.12 O ATOM 0 H GLU A 46 4.701 8.733 12.064 1.00 0.72 H new ATOM 0 HA GLU A 46 2.787 10.739 12.385 1.00 0.71 H new ATOM 0 HB2 GLU A 46 4.963 9.811 14.309 1.00 0.79 H new ATOM 0 HB3 GLU A 46 3.489 10.645 14.758 1.00 0.79 H new ATOM 0 HG2 GLU A 46 2.170 8.728 13.810 1.00 1.41 H new ATOM 0 HG3 GLU A 46 3.676 7.888 13.500 1.00 1.41 H new ATOM 945 N GLU A 47 5.866 11.846 12.335 1.00 0.67 N ATOM 946 CA GLU A 47 6.666 13.060 12.261 1.00 0.67 C ATOM 947 C GLU A 47 6.378 13.847 10.990 1.00 0.60 C ATOM 948 O GLU A 47 6.410 15.078 10.997 1.00 0.58 O ATOM 949 CB GLU A 47 8.147 12.720 12.350 1.00 0.73 C ATOM 950 CG GLU A 47 8.659 12.684 13.774 1.00 0.98 C ATOM 951 CD GLU A 47 8.492 14.014 14.486 1.00 1.64 C ATOM 952 OE1 GLU A 47 9.380 14.883 14.354 1.00 2.03 O ATOM 953 OE2 GLU A 47 7.470 14.198 15.182 1.00 2.26 O ATOM 0 H GLU A 47 6.387 10.985 12.169 1.00 0.67 H new ATOM 0 HA GLU A 47 6.393 13.690 13.107 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.321 11.751 11.882 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.718 13.455 11.782 1.00 0.73 H new ATOM 0 HG2 GLU A 47 8.128 11.910 14.328 1.00 0.98 H new ATOM 0 HG3 GLU A 47 9.713 12.407 13.771 1.00 0.98 H new ATOM 960 N SER A 48 6.093 13.138 9.906 1.00 0.58 N ATOM 961 CA SER A 48 5.729 13.779 8.653 1.00 0.54 C ATOM 962 C SER A 48 4.411 14.531 8.820 1.00 0.51 C ATOM 963 O SER A 48 4.249 15.653 8.339 1.00 0.49 O ATOM 964 CB SER A 48 5.604 12.729 7.550 1.00 0.57 C ATOM 965 OG SER A 48 6.735 11.874 7.536 1.00 1.19 O ATOM 0 H SER A 48 6.107 12.119 9.871 1.00 0.58 H new ATOM 0 HA SER A 48 6.506 14.490 8.374 1.00 0.54 H new ATOM 0 HB2 SER A 48 4.700 12.140 7.703 1.00 0.57 H new ATOM 0 HB3 SER A 48 5.503 13.222 6.583 1.00 0.57 H new ATOM 0 HG SER A 48 7.552 12.412 7.593 1.00 1.19 H new ATOM 971 N ILE A 49 3.484 13.903 9.531 1.00 0.51 N ATOM 972 CA ILE A 49 2.183 14.493 9.808 1.00 0.49 C ATOM 973 C ILE A 49 2.327 15.696 10.722 1.00 0.49 C ATOM 974 O ILE A 49 1.697 16.729 10.516 1.00 0.47 O ATOM 975 CB ILE A 49 1.258 13.463 10.469 1.00 0.51 C ATOM 976 CG1 ILE A 49 1.077 12.269 9.538 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.088 14.089 10.814 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.325 11.130 10.168 1.00 0.55 C ATOM 0 H ILE A 49 3.613 12.973 9.930 1.00 0.51 H new ATOM 0 HA ILE A 49 1.749 14.813 8.861 1.00 0.49 H new ATOM 0 HB ILE A 49 1.713 13.122 11.399 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.547 12.593 8.642 1.00 0.52 H new ATOM 0 HG13 ILE A 49 2.057 11.915 9.218 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.728 13.341 11.282 1.00 0.50 H new ATOM 0 HG22 ILE A 49 0.063 14.920 11.504 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.563 14.455 9.904 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.232 10.314 9.451 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.865 10.780 11.048 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.668 11.469 10.463 1.00 0.55 H new ATOM 985 N ALA A 50 3.163 15.541 11.735 1.00 0.52 N ATOM 986 CA ALA A 50 3.474 16.618 12.657 1.00 0.53 C ATOM 987 C ALA A 50 4.048 17.815 11.916 1.00 0.50 C ATOM 988 O ALA A 50 3.623 18.949 12.131 1.00 0.50 O ATOM 989 CB ALA A 50 4.462 16.128 13.689 1.00 0.57 C ATOM 0 H ALA A 50 3.644 14.665 11.940 1.00 0.52 H new ATOM 0 HA ALA A 50 2.555 16.932 13.151 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.696 16.937 14.382 1.00 0.57 H new ATOM 0 HB2 ALA A 50 4.029 15.293 14.239 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.375 15.801 13.192 1.00 0.57 H new ATOM 995 N ALA A 51 5.006 17.552 11.036 1.00 0.49 N ATOM 996 CA ALA A 51 5.614 18.602 10.232 1.00 0.48 C ATOM 997 C ALA A 51 4.560 19.303 9.386 1.00 0.45 C ATOM 998 O ALA A 51 4.606 20.520 9.195 1.00 0.47 O ATOM 999 CB ALA A 51 6.706 18.020 9.353 1.00 0.50 C ATOM 0 H ALA A 51 5.378 16.619 10.862 1.00 0.49 H new ATOM 0 HA ALA A 51 6.061 19.340 10.899 1.00 0.48 H new ATOM 0 HB1 ALA A 51 7.154 18.814 8.756 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.471 17.561 9.979 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.278 17.266 8.692 1.00 0.50 H new ATOM 1005 N LEU A 52 3.607 18.519 8.893 1.00 0.42 N ATOM 1006 CA LEU A 52 2.487 19.049 8.124 1.00 0.40 C ATOM 1007 C LEU A 52 1.548 19.848 9.014 1.00 0.39 C ATOM 1008 O LEU A 52 1.071 20.898 8.611 1.00 0.40 O ATOM 1009 CB LEU A 52 1.712 17.923 7.432 1.00 0.40 C ATOM 1010 CG LEU A 52 2.312 17.410 6.125 1.00 0.41 C ATOM 1011 CD1 LEU A 52 1.719 16.058 5.763 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.050 18.408 5.009 1.00 0.41 C ATOM 0 H LEU A 52 3.589 17.506 9.014 1.00 0.42 H new ATOM 0 HA LEU A 52 2.897 19.710 7.361 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.628 17.086 8.125 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.699 18.274 7.232 1.00 0.40 H new ATOM 0 HG LEU A 52 3.388 17.294 6.256 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.157 15.707 4.829 1.00 0.45 H new ATOM 0 HD12 LEU A 52 1.934 15.342 6.556 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.640 16.154 5.644 1.00 0.45 H new ATOM 0 HD21 LEU A 52 2.481 18.036 4.079 1.00 0.41 H new ATOM 0 HD22 LEU A 52 0.975 18.540 4.884 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.506 19.365 5.262 1.00 0.41 H new ATOM 1024 N LYS A 53 1.300 19.367 10.221 1.00 0.39 N ATOM 1025 CA LYS A 53 0.400 20.054 11.140 1.00 0.39 C ATOM 1026 C LYS A 53 0.966 21.400 11.587 1.00 0.40 C ATOM 1027 O LYS A 53 0.226 22.287 12.005 1.00 0.45 O ATOM 1028 CB LYS A 53 0.100 19.170 12.351 1.00 0.41 C ATOM 1029 CG LYS A 53 -0.942 18.101 12.071 1.00 0.42 C ATOM 1030 CD LYS A 53 -1.169 17.210 13.278 1.00 0.52 C ATOM 1031 CE LYS A 53 -2.478 16.446 13.167 1.00 0.52 C ATOM 1032 NZ LYS A 53 -3.656 17.350 13.280 1.00 1.22 N ATOM 0 H LYS A 53 1.706 18.507 10.589 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.530 20.251 10.606 1.00 0.39 H new ATOM 0 HB2 LYS A 53 1.022 18.691 12.680 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.245 19.797 13.173 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.882 18.574 11.786 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.622 17.493 11.225 1.00 0.42 H new ATOM 0 HD2 LYS A 53 -0.342 16.506 13.373 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.176 17.817 14.183 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -2.513 15.921 12.212 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -2.524 15.689 13.949 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -4.493 16.797 13.555 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -3.469 18.076 14.001 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -3.830 17.809 12.363 1.00 1.22 H new ATOM 1046 N LYS A 54 2.285 21.539 11.514 1.00 0.39 N ATOM 1047 CA LYS A 54 2.947 22.802 11.845 1.00 0.41 C ATOM 1048 C LYS A 54 2.861 23.777 10.674 1.00 0.41 C ATOM 1049 O LYS A 54 2.893 24.992 10.856 1.00 0.47 O ATOM 1050 CB LYS A 54 4.415 22.563 12.206 1.00 0.44 C ATOM 1051 CG LYS A 54 4.620 21.636 13.391 1.00 1.24 C ATOM 1052 CD LYS A 54 4.040 22.217 14.670 1.00 1.63 C ATOM 1053 CE LYS A 54 4.357 21.342 15.871 1.00 2.24 C ATOM 1054 NZ LYS A 54 5.822 21.162 16.058 1.00 3.05 N ATOM 0 H LYS A 54 2.920 20.794 11.229 1.00 0.39 H new ATOM 0 HA LYS A 54 2.435 23.234 12.705 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.928 22.146 11.339 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.885 23.522 12.423 1.00 0.44 H new ATOM 0 HG2 LYS A 54 4.152 20.673 13.184 1.00 1.24 H new ATOM 0 HG3 LYS A 54 5.685 21.450 13.527 1.00 1.24 H new ATOM 0 HD2 LYS A 54 4.441 23.218 14.831 1.00 1.63 H new ATOM 0 HD3 LYS A 54 2.960 22.319 14.568 1.00 1.63 H new ATOM 0 HE2 LYS A 54 3.929 21.789 16.768 1.00 2.24 H new ATOM 0 HE3 LYS A 54 3.885 20.368 15.744 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 6.010 20.832 17.026 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 6.175 20.459 15.378 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 6.306 22.069 15.901 1.00 3.05 H new ATOM 1068 N LYS A 55 2.751 23.234 9.477 1.00 0.42 N ATOM 1069 CA LYS A 55 2.646 24.036 8.267 1.00 0.48 C ATOM 1070 C LYS A 55 1.187 24.304 7.912 1.00 0.47 C ATOM 1071 O LYS A 55 0.754 25.456 7.838 1.00 0.58 O ATOM 1072 CB LYS A 55 3.327 23.310 7.111 1.00 0.55 C ATOM 1073 CG LYS A 55 4.844 23.361 7.138 1.00 1.23 C ATOM 1074 CD LYS A 55 5.354 24.738 6.750 1.00 1.16 C ATOM 1075 CE LYS A 55 6.511 24.637 5.770 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.023 25.976 5.369 1.00 1.48 N ATOM 0 H LYS A 55 2.732 22.227 9.313 1.00 0.42 H new ATOM 0 HA LYS A 55 3.138 24.992 8.446 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.012 22.267 7.118 1.00 0.55 H new ATOM 0 HB3 LYS A 55 2.979 23.742 6.173 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.201 23.106 8.136 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.248 22.615 6.454 1.00 1.23 H new ATOM 0 HD2 LYS A 55 4.545 25.316 6.304 1.00 1.16 H new ATOM 0 HD3 LYS A 55 5.675 25.275 7.643 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.319 24.061 6.221 1.00 1.03 H new ATOM 0 HE3 LYS A 55 6.188 24.092 4.883 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 7.611 25.882 4.516 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 6.222 26.608 5.169 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.595 26.375 6.141 1.00 1.48 H new ATOM 1090 N SER A 56 0.439 23.242 7.709 1.00 0.39 N ATOM 1091 CA SER A 56 -0.940 23.338 7.282 1.00 0.39 C ATOM 1092 C SER A 56 -1.808 22.460 8.169 1.00 0.38 C ATOM 1093 O SER A 56 -1.803 21.230 8.056 1.00 0.38 O ATOM 1094 CB SER A 56 -1.071 22.920 5.815 1.00 0.40 C ATOM 1095 OG SER A 56 -2.422 22.974 5.385 1.00 1.16 O ATOM 0 H SER A 56 0.770 22.286 7.836 1.00 0.39 H new ATOM 0 HA SER A 56 -1.274 24.372 7.372 1.00 0.39 H new ATOM 0 HB2 SER A 56 -0.462 23.575 5.192 1.00 0.40 H new ATOM 0 HB3 SER A 56 -0.686 21.908 5.687 1.00 0.40 H new ATOM 0 HG SER A 56 -2.453 23.181 4.428 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.543 23.110 9.087 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.441 22.440 10.030 1.00 0.43 C ATOM 1103 C PRO A 57 -4.344 21.428 9.341 1.00 0.44 C ATOM 1104 O PRO A 57 -4.428 20.264 9.734 1.00 0.45 O ATOM 1105 CB PRO A 57 -4.286 23.595 10.573 1.00 0.48 C ATOM 1106 CG PRO A 57 -3.404 24.786 10.483 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.532 24.572 9.278 1.00 0.45 C ATOM 0 HA PRO A 57 -2.896 21.880 10.790 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -5.194 23.730 9.986 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.596 23.409 11.601 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.991 25.699 10.381 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.802 24.893 11.385 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.924 25.092 8.404 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.522 24.946 9.445 1.00 0.45 H new ATOM 1115 N GLU A 58 -5.027 21.909 8.308 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.961 21.102 7.540 1.00 0.51 C ATOM 1117 C GLU A 58 -5.280 19.914 6.870 1.00 0.47 C ATOM 1118 O GLU A 58 -5.824 18.810 6.880 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.654 21.962 6.481 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.807 21.265 5.781 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.966 20.978 6.712 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -9.748 21.904 7.009 1.00 2.45 O ATOM 1123 OE2 GLU A 58 -9.100 19.816 7.153 1.00 2.42 O ATOM 0 H GLU A 58 -4.947 22.872 7.981 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.699 20.710 8.240 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -7.025 22.872 6.952 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -5.919 22.265 5.735 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -8.154 21.886 4.955 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -7.453 20.329 5.349 1.00 1.44 H new ATOM 1130 N LEU A 59 -4.088 20.105 6.311 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.476 19.028 5.543 1.00 0.48 C ATOM 1132 C LEU A 59 -3.038 17.919 6.480 1.00 0.43 C ATOM 1133 O LEU A 59 -3.181 16.732 6.185 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.289 19.520 4.719 1.00 0.56 C ATOM 1135 CG LEU A 59 -2.650 20.312 3.460 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -1.390 20.723 2.723 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -3.553 19.494 2.549 1.00 1.42 C ATOM 0 H LEU A 59 -3.543 20.965 6.372 1.00 0.46 H new ATOM 0 HA LEU A 59 -4.222 18.647 4.845 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -1.661 20.145 5.354 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.689 18.658 4.427 1.00 0.56 H new ATOM 0 HG LEU A 59 -3.191 21.209 3.760 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -1.659 21.286 1.829 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -0.775 21.346 3.373 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -0.829 19.833 2.437 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -3.797 20.076 1.660 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -3.039 18.579 2.254 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -4.471 19.240 3.079 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.500 18.339 7.623 1.00 0.37 N ATOM 1150 CA GLY A 60 -2.099 17.412 8.654 1.00 0.36 C ATOM 1151 C GLY A 60 -3.277 16.636 9.193 1.00 0.35 C ATOM 1152 O GLY A 60 -3.155 15.460 9.517 1.00 0.36 O ATOM 0 H GLY A 60 -2.335 19.320 7.850 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.359 16.719 8.253 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.619 17.957 9.467 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.420 17.303 9.294 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.652 16.645 9.701 1.00 0.42 C ATOM 1158 C ALA A 61 -6.079 15.614 8.663 1.00 0.44 C ATOM 1159 O ALA A 61 -6.510 14.512 9.010 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.753 17.671 9.913 1.00 0.45 C ATOM 0 H ALA A 61 -4.518 18.299 9.099 1.00 0.37 H new ATOM 0 HA ALA A 61 -5.471 16.128 10.643 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.669 17.164 10.217 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -6.451 18.373 10.690 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.930 18.213 8.984 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.953 15.983 7.390 1.00 0.45 N ATOM 1167 CA LYS A 62 -6.264 15.079 6.289 1.00 0.50 C ATOM 1168 C LYS A 62 -5.442 13.802 6.386 1.00 0.54 C ATOM 1169 O LYS A 62 -5.998 12.710 6.501 1.00 0.69 O ATOM 1170 CB LYS A 62 -6.005 15.750 4.935 1.00 0.53 C ATOM 1171 CG LYS A 62 -7.258 16.275 4.252 1.00 0.90 C ATOM 1172 CD LYS A 62 -7.891 17.423 5.018 1.00 1.25 C ATOM 1173 CE LYS A 62 -9.159 17.912 4.336 1.00 1.51 C ATOM 1174 NZ LYS A 62 -10.226 16.878 4.347 1.00 2.17 N ATOM 0 H LYS A 62 -5.636 16.907 7.096 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.322 14.828 6.363 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -5.309 16.577 5.079 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -5.517 15.034 4.274 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -7.008 16.607 3.244 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -7.981 15.466 4.151 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -8.123 17.101 6.033 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -7.179 18.245 5.099 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -9.518 18.810 4.838 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -8.934 18.191 3.307 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -11.135 17.315 4.094 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -9.996 16.134 3.657 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -10.295 16.460 5.297 1.00 2.17 H new ATOM 1188 N VAL A 63 -4.121 13.949 6.359 1.00 0.45 N ATOM 1189 CA VAL A 63 -3.224 12.800 6.386 1.00 0.48 C ATOM 1190 C VAL A 63 -3.346 12.016 7.695 1.00 0.46 C ATOM 1191 O VAL A 63 -3.205 10.791 7.709 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.762 13.235 6.159 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -1.320 14.221 7.220 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.828 12.032 6.106 1.00 1.12 C ATOM 0 H VAL A 63 -3.649 14.852 6.318 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.523 12.141 5.571 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.711 13.735 5.192 1.00 0.48 H new ATOM 0 HG11 VAL A 63 -0.286 14.512 7.038 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.958 15.104 7.184 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -1.398 13.757 8.203 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.195 12.372 5.945 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -0.885 11.486 7.047 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -1.125 11.376 5.288 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.624 12.718 8.789 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.767 12.079 10.092 1.00 0.42 C ATOM 1200 C GLU A 64 -4.937 11.100 10.081 1.00 0.50 C ATOM 1201 O GLU A 64 -4.771 9.918 10.369 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.977 13.125 11.192 1.00 0.42 C ATOM 1203 CG GLU A 64 -3.313 12.782 12.521 1.00 0.53 C ATOM 1204 CD GLU A 64 -3.763 11.454 13.099 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -4.891 11.385 13.636 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -3.000 10.470 13.003 1.00 1.70 O ATOM 0 H GLU A 64 -3.755 13.730 8.799 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.847 11.532 10.301 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -3.592 14.083 10.844 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -5.047 13.252 11.356 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -2.232 12.761 12.383 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.527 13.573 13.240 1.00 0.53 H new ATOM 1213 N LYS A 65 -6.117 11.581 9.723 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.296 10.728 9.734 1.00 0.69 C ATOM 1215 C LYS A 65 -7.175 9.653 8.660 1.00 0.71 C ATOM 1216 O LYS A 65 -7.630 8.522 8.827 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.562 11.558 9.521 1.00 0.84 C ATOM 1218 CG LYS A 65 -8.799 12.589 10.611 1.00 1.92 C ATOM 1219 CD LYS A 65 -10.019 13.462 10.335 1.00 2.40 C ATOM 1220 CE LYS A 65 -11.326 12.673 10.377 1.00 3.23 C ATOM 1221 NZ LYS A 65 -11.643 12.016 9.078 1.00 3.96 N ATOM 0 H LYS A 65 -6.284 12.542 9.425 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.366 10.243 10.708 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -8.497 12.066 8.559 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -9.421 10.889 9.471 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -8.929 12.080 11.566 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -7.917 13.222 10.705 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -10.060 14.266 11.070 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -9.913 13.930 9.356 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -11.263 11.914 11.157 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -12.142 13.343 10.649 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -12.627 12.225 8.815 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -11.004 12.377 8.341 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -11.520 10.987 9.170 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.524 10.026 7.565 1.00 0.72 N ATOM 1236 CA LEU A 66 -6.339 9.143 6.423 1.00 0.80 C ATOM 1237 C LEU A 66 -5.438 7.960 6.761 1.00 0.76 C ATOM 1238 O LEU A 66 -5.800 6.808 6.521 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.746 9.933 5.256 1.00 0.84 C ATOM 1240 CG LEU A 66 -5.309 9.107 4.052 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -6.507 8.698 3.218 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -4.306 9.884 3.220 1.00 1.37 C ATOM 0 H LEU A 66 -6.110 10.950 7.445 1.00 0.72 H new ATOM 0 HA LEU A 66 -7.315 8.745 6.145 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.484 10.663 4.924 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.885 10.493 5.621 1.00 0.84 H new ATOM 0 HG LEU A 66 -4.827 8.197 4.410 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -6.172 8.109 2.364 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -7.187 8.101 3.826 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -7.025 9.589 2.864 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -4.001 9.283 2.363 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -4.763 10.810 2.870 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -3.432 10.118 3.828 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.280 8.236 7.343 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.307 7.177 7.590 1.00 0.55 C ATOM 1256 C HIS A 67 -3.779 6.328 8.757 1.00 0.44 C ATOM 1257 O HIS A 67 -3.373 5.184 8.919 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.894 7.739 7.841 1.00 0.67 C ATOM 1259 CG HIS A 67 -1.584 8.045 9.278 1.00 0.94 C ATOM 1260 ND1 HIS A 67 -0.587 7.413 9.991 1.00 1.62 N ATOM 1261 CD2 HIS A 67 -2.149 8.923 10.129 1.00 1.85 C ATOM 1262 CE1 HIS A 67 -0.561 7.892 11.221 1.00 2.13 C ATOM 1263 NE2 HIS A 67 -1.503 8.810 11.330 1.00 2.34 N ATOM 0 H HIS A 67 -3.993 9.166 7.649 1.00 0.52 H new ATOM 0 HA HIS A 67 -3.236 6.555 6.698 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.162 7.021 7.471 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -1.771 8.650 7.256 1.00 0.67 H new ATOM 0 HD2 HIS A 67 -2.964 9.595 9.904 1.00 1.85 H new ATOM 0 HE1 HIS A 67 0.116 7.585 12.005 1.00 2.13 H new ATOM 0 HE2 HIS A 67 -1.715 9.347 12.171 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.642 6.922 9.565 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.270 6.240 10.678 1.00 0.36 C ATOM 1274 C ALA A 68 -6.140 5.089 10.182 1.00 0.34 C ATOM 1275 O ALA A 68 -6.139 4.006 10.763 1.00 0.37 O ATOM 1276 CB ALA A 68 -6.098 7.244 11.452 1.00 0.40 C ATOM 0 H ALA A 68 -4.926 7.896 9.464 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.506 5.816 11.329 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.579 6.747 12.295 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.452 8.041 11.821 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.860 7.668 10.798 1.00 0.40 H new ATOM 1282 N MET A 69 -6.871 5.331 9.099 1.00 0.33 N ATOM 1283 CA MET A 69 -7.684 4.290 8.477 1.00 0.37 C ATOM 1284 C MET A 69 -6.782 3.182 7.964 1.00 0.37 C ATOM 1285 O MET A 69 -7.064 1.996 8.141 1.00 0.42 O ATOM 1286 CB MET A 69 -8.489 4.849 7.308 1.00 0.46 C ATOM 1287 CG MET A 69 -9.318 6.076 7.641 1.00 0.44 C ATOM 1288 SD MET A 69 -10.198 6.706 6.198 1.00 0.72 S ATOM 1289 CE MET A 69 -8.864 6.753 5.003 1.00 0.55 C ATOM 0 H MET A 69 -6.918 6.237 8.634 1.00 0.33 H new ATOM 0 HA MET A 69 -8.374 3.903 9.227 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.803 5.099 6.498 1.00 0.46 H new ATOM 0 HB3 MET A 69 -9.152 4.069 6.935 1.00 0.46 H new ATOM 0 HG2 MET A 69 -10.035 5.828 8.424 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.669 6.856 8.039 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.017 7.588 4.320 1.00 0.55 H new ATOM 0 HE2 MET A 69 -7.914 6.878 5.523 1.00 0.55 H new ATOM 0 HE3 MET A 69 -8.848 5.821 4.438 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.699 3.594 7.322 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.680 2.685 6.838 1.00 0.39 C ATOM 1301 C VAL A 70 -4.140 1.836 7.985 1.00 0.38 C ATOM 1302 O VAL A 70 -4.068 0.609 7.890 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.528 3.486 6.203 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.450 2.564 5.672 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.053 4.390 5.097 1.00 0.70 C ATOM 0 H VAL A 70 -5.505 4.575 7.123 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.123 2.028 6.089 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.083 4.110 6.979 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.650 3.157 5.229 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.048 1.965 6.489 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -2.875 1.906 4.915 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.225 4.948 4.660 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -4.529 3.783 4.326 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -4.782 5.087 5.512 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.786 2.505 9.075 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.263 1.840 10.257 1.00 0.43 C ATOM 1311 C LYS A 71 -4.286 0.889 10.861 1.00 0.44 C ATOM 1312 O LYS A 71 -3.919 -0.168 11.346 1.00 0.45 O ATOM 1313 CB LYS A 71 -2.827 2.865 11.304 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.550 3.613 10.947 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.333 2.697 10.945 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.164 1.994 12.284 1.00 0.75 C ATOM 1317 NZ LYS A 71 1.192 1.396 12.441 1.00 1.47 N ATOM 0 H LYS A 71 -3.854 3.519 9.163 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.397 1.256 9.945 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -3.631 3.587 11.446 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -2.683 2.356 12.257 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -1.661 4.071 9.964 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -1.393 4.423 11.660 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.436 1.955 10.153 1.00 1.30 H new ATOM 0 HD3 LYS A 71 0.562 3.279 10.722 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -0.340 2.706 13.090 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -0.917 1.212 12.379 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 1.189 0.736 13.245 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.448 0.884 11.573 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 1.886 2.151 12.615 1.00 1.47 H new ATOM 1331 N SER A 72 -5.558 1.267 10.825 1.00 0.45 N ATOM 1332 CA SER A 72 -6.624 0.430 11.374 1.00 0.49 C ATOM 1333 C SER A 72 -6.739 -0.891 10.611 1.00 0.45 C ATOM 1334 O SER A 72 -6.923 -1.953 11.208 1.00 0.49 O ATOM 1335 CB SER A 72 -7.955 1.181 11.333 1.00 0.56 C ATOM 1336 OG SER A 72 -7.885 2.385 12.080 1.00 1.26 O ATOM 0 H SER A 72 -5.879 2.147 10.422 1.00 0.45 H new ATOM 0 HA SER A 72 -6.375 0.200 12.410 1.00 0.49 H new ATOM 0 HB2 SER A 72 -8.218 1.405 10.299 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.746 0.547 11.733 1.00 0.56 H new ATOM 0 HG SER A 72 -7.339 3.039 11.596 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.620 -0.818 9.292 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.648 -2.003 8.448 1.00 0.38 C ATOM 1344 C LYS A 73 -5.404 -2.848 8.693 1.00 0.33 C ATOM 1345 O LYS A 73 -5.494 -4.061 8.850 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.744 -1.613 6.971 1.00 0.44 C ATOM 1347 CG LYS A 73 -7.926 -0.712 6.650 1.00 0.62 C ATOM 1348 CD LYS A 73 -7.896 -0.254 5.200 1.00 0.78 C ATOM 1349 CE LYS A 73 -9.114 0.587 4.852 1.00 0.88 C ATOM 1350 NZ LYS A 73 -9.146 1.874 5.595 1.00 1.54 N ATOM 0 H LYS A 73 -6.502 0.057 8.781 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.530 -2.590 8.704 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.824 -1.108 6.678 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -6.816 -2.519 6.369 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -8.856 -1.246 6.846 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -7.913 0.157 7.308 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -6.990 0.325 5.020 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -7.854 -1.124 4.544 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -9.118 0.789 3.781 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -10.018 0.020 5.073 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -10.035 2.372 5.388 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -9.083 1.687 6.616 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -8.342 2.465 5.301 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.250 -2.203 8.755 1.00 0.28 N ATOM 1365 CA ILE A 74 -3.002 -2.898 9.049 1.00 0.28 C ATOM 1366 C ILE A 74 -2.991 -3.397 10.496 1.00 0.28 C ATOM 1367 O ILE A 74 -2.304 -4.355 10.838 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.795 -1.976 8.770 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.753 -1.657 7.277 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.490 -2.617 9.218 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.663 -0.697 6.869 1.00 0.32 C ATOM 0 H ILE A 74 -4.149 -1.199 8.606 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.924 -3.766 8.395 1.00 0.28 H new ATOM 0 HB ILE A 74 -1.913 -1.055 9.341 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.625 -2.587 6.724 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.716 -1.240 6.981 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.339 -1.941 9.007 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.532 -2.817 10.289 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.341 -3.553 8.680 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.710 -0.529 5.793 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.799 0.251 7.390 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.308 -1.118 7.129 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.802 -2.764 11.327 1.00 0.31 N ATOM 1379 CA ALA A 75 -3.952 -3.163 12.722 1.00 0.32 C ATOM 1380 C ALA A 75 -4.707 -4.475 12.801 1.00 0.32 C ATOM 1381 O ALA A 75 -4.451 -5.320 13.659 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.700 -2.092 13.500 1.00 0.34 C ATOM 0 H ALA A 75 -4.373 -1.963 11.059 1.00 0.31 H new ATOM 0 HA ALA A 75 -2.962 -3.288 13.160 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.805 -2.403 14.539 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -4.144 -1.155 13.456 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.688 -1.948 13.063 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.632 -4.630 11.870 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.468 -5.811 11.772 1.00 0.32 C ATOM 1390 C ALA A 76 -5.750 -6.907 10.993 1.00 0.34 C ATOM 1391 O ALA A 76 -6.258 -8.019 10.840 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.772 -5.440 11.081 1.00 0.35 C ATOM 0 H ALA A 76 -5.825 -3.931 11.153 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.680 -6.189 12.772 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.407 -6.323 11.003 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.286 -4.674 11.661 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.559 -5.057 10.083 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.556 -6.582 10.526 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.787 -7.463 9.669 1.00 0.31 C ATOM 1400 C LEU A 77 -2.829 -8.304 10.506 1.00 0.32 C ATOM 1401 O LEU A 77 -2.175 -7.791 11.414 1.00 0.33 O ATOM 1402 CB LEU A 77 -3.027 -6.599 8.656 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.480 -7.312 7.423 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.525 -8.238 6.832 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.056 -6.282 6.391 1.00 0.58 C ATOM 0 H LEU A 77 -4.093 -5.697 10.732 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.445 -8.150 9.138 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.691 -5.802 8.322 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.193 -6.123 9.172 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.618 -7.912 7.716 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.115 -8.736 5.954 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -3.810 -8.985 7.573 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.403 -7.659 6.544 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.665 -6.790 5.509 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -2.916 -5.675 6.108 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.282 -5.641 6.813 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.775 -9.601 10.209 1.00 0.36 N ATOM 1418 CA GLY A 78 -1.934 -10.517 10.966 1.00 0.42 C ATOM 1419 C GLY A 78 -0.460 -10.175 10.864 1.00 0.46 C ATOM 1420 O GLY A 78 -0.045 -9.567 9.885 1.00 0.76 O ATOM 0 H GLY A 78 -3.302 -10.037 9.452 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -2.236 -10.500 12.013 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -2.093 -11.533 10.605 1.00 0.42 H new ATOM 1424 N PRO A 79 0.352 -10.581 11.861 1.00 0.66 N ATOM 1425 CA PRO A 79 1.775 -10.206 11.973 1.00 0.86 C ATOM 1426 C PRO A 79 2.553 -10.269 10.657 1.00 0.60 C ATOM 1427 O PRO A 79 3.331 -9.362 10.347 1.00 0.64 O ATOM 1428 CB PRO A 79 2.321 -11.236 12.957 1.00 1.32 C ATOM 1429 CG PRO A 79 1.165 -11.561 13.837 1.00 1.56 C ATOM 1430 CD PRO A 79 -0.067 -11.452 12.977 1.00 1.10 C ATOM 0 HA PRO A 79 1.880 -9.167 12.285 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.688 -12.123 12.440 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.156 -10.833 13.531 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.262 -12.565 14.251 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.113 -10.872 14.680 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.392 -12.429 12.620 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.902 -11.020 13.529 1.00 1.10 H new ATOM 1438 N GLU A 80 2.335 -11.324 9.882 1.00 0.51 N ATOM 1439 CA GLU A 80 3.027 -11.501 8.612 1.00 0.49 C ATOM 1440 C GLU A 80 2.603 -10.426 7.628 1.00 0.42 C ATOM 1441 O GLU A 80 3.439 -9.691 7.100 1.00 0.49 O ATOM 1442 CB GLU A 80 2.736 -12.884 8.021 1.00 0.70 C ATOM 1443 CG GLU A 80 3.441 -13.127 6.693 1.00 1.25 C ATOM 1444 CD GLU A 80 3.345 -14.564 6.226 1.00 1.79 C ATOM 1445 OE1 GLU A 80 2.370 -14.909 5.528 1.00 2.52 O ATOM 1446 OE2 GLU A 80 4.254 -15.358 6.555 1.00 2.19 O ATOM 0 H GLU A 80 1.682 -12.073 10.112 1.00 0.51 H new ATOM 0 HA GLU A 80 4.098 -11.418 8.796 1.00 0.49 H new ATOM 0 HB2 GLU A 80 3.043 -13.649 8.734 1.00 0.70 H new ATOM 0 HB3 GLU A 80 1.661 -12.993 7.880 1.00 0.70 H new ATOM 0 HG2 GLU A 80 3.009 -12.475 5.934 1.00 1.25 H new ATOM 0 HG3 GLU A 80 4.491 -12.852 6.790 1.00 1.25 H new ATOM 1453 N ALA A 81 1.305 -10.302 7.416 1.00 0.36 N ATOM 1454 CA ALA A 81 0.809 -9.385 6.408 1.00 0.34 C ATOM 1455 C ALA A 81 0.945 -7.940 6.883 1.00 0.31 C ATOM 1456 O ALA A 81 1.169 -7.036 6.087 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.621 -9.726 6.033 1.00 0.36 C ATOM 0 H ALA A 81 0.584 -10.818 7.921 1.00 0.36 H new ATOM 0 HA ALA A 81 1.415 -9.491 5.508 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -0.975 -9.027 5.276 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -0.661 -10.741 5.637 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.255 -9.656 6.917 1.00 0.36 H new ATOM 1463 N LYS A 82 0.823 -7.745 8.191 1.00 0.31 N ATOM 1464 CA LYS A 82 1.006 -6.439 8.822 1.00 0.33 C ATOM 1465 C LYS A 82 2.419 -5.912 8.606 1.00 0.33 C ATOM 1466 O LYS A 82 2.599 -4.785 8.139 1.00 0.32 O ATOM 1467 CB LYS A 82 0.703 -6.532 10.322 1.00 0.41 C ATOM 1468 CG LYS A 82 0.979 -5.244 11.080 1.00 0.60 C ATOM 1469 CD LYS A 82 0.338 -5.248 12.460 1.00 0.86 C ATOM 1470 CE LYS A 82 0.868 -6.372 13.333 1.00 1.33 C ATOM 1471 NZ LYS A 82 0.288 -6.326 14.700 1.00 2.04 N ATOM 0 H LYS A 82 0.593 -8.490 8.848 1.00 0.31 H new ATOM 0 HA LYS A 82 0.311 -5.740 8.357 1.00 0.33 H new ATOM 0 HB2 LYS A 82 -0.344 -6.806 10.456 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.300 -7.334 10.756 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.056 -5.106 11.180 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.601 -4.398 10.507 1.00 0.60 H new ATOM 0 HD2 LYS A 82 0.524 -4.292 12.949 1.00 0.86 H new ATOM 0 HD3 LYS A 82 -0.742 -5.348 12.357 1.00 0.86 H new ATOM 0 HE2 LYS A 82 0.636 -7.332 12.871 1.00 1.33 H new ATOM 0 HE3 LYS A 82 1.954 -6.303 13.396 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 0.673 -7.108 15.267 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 0.531 -5.420 15.150 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 -0.746 -6.417 14.642 1.00 2.04 H new ATOM 1485 N GLY A 83 3.421 -6.724 8.928 1.00 0.37 N ATOM 1486 CA GLY A 83 4.797 -6.304 8.734 1.00 0.41 C ATOM 1487 C GLY A 83 5.089 -6.042 7.271 1.00 0.39 C ATOM 1488 O GLY A 83 5.863 -5.148 6.924 1.00 0.41 O ATOM 0 H GLY A 83 3.306 -7.660 9.317 1.00 0.37 H new ATOM 0 HA2 GLY A 83 4.989 -5.401 9.313 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.471 -7.074 9.110 1.00 0.41 H new ATOM 1492 N PHE A 84 4.455 -6.835 6.423 1.00 0.37 N ATOM 1493 CA PHE A 84 4.559 -6.682 4.983 1.00 0.37 C ATOM 1494 C PHE A 84 3.902 -5.402 4.491 1.00 0.34 C ATOM 1495 O PHE A 84 4.490 -4.652 3.715 1.00 0.37 O ATOM 1496 CB PHE A 84 3.920 -7.878 4.301 1.00 0.39 C ATOM 1497 CG PHE A 84 4.932 -8.825 3.770 1.00 0.74 C ATOM 1498 CD1 PHE A 84 5.488 -8.656 2.516 1.00 0.71 C ATOM 1499 CD2 PHE A 84 5.309 -9.900 4.532 1.00 1.22 C ATOM 1500 CE1 PHE A 84 6.416 -9.558 2.032 1.00 1.13 C ATOM 1501 CE2 PHE A 84 6.233 -10.804 4.063 1.00 1.65 C ATOM 1502 CZ PHE A 84 6.847 -10.543 2.753 1.00 1.59 C ATOM 0 H PHE A 84 3.853 -7.604 6.715 1.00 0.37 H new ATOM 0 HA PHE A 84 5.618 -6.623 4.732 1.00 0.37 H new ATOM 0 HB2 PHE A 84 3.275 -8.397 5.010 1.00 0.39 H new ATOM 0 HB3 PHE A 84 3.284 -7.533 3.486 1.00 0.39 H new ATOM 0 HD1 PHE A 84 5.195 -7.812 1.909 1.00 0.71 H new ATOM 0 HD2 PHE A 84 4.876 -10.039 5.511 1.00 1.22 H new ATOM 0 HE1 PHE A 84 6.791 -9.438 1.026 1.00 1.13 H new ATOM 0 HE2 PHE A 84 6.499 -11.678 4.639 1.00 1.65 H new ATOM 0 HZ PHE A 84 7.651 -11.168 2.395 1.00 1.59 H new ATOM 1512 N ALA A 85 2.678 -5.178 4.934 1.00 0.30 N ATOM 1513 CA ALA A 85 1.908 -4.002 4.562 1.00 0.30 C ATOM 1514 C ALA A 85 2.688 -2.719 4.801 1.00 0.32 C ATOM 1515 O ALA A 85 2.811 -1.877 3.915 1.00 0.41 O ATOM 1516 CB ALA A 85 0.619 -3.979 5.359 1.00 0.28 C ATOM 0 H ALA A 85 2.186 -5.810 5.566 1.00 0.30 H new ATOM 0 HA ALA A 85 1.690 -4.059 3.496 1.00 0.30 H new ATOM 0 HB1 ALA A 85 0.037 -3.099 5.084 1.00 0.28 H new ATOM 0 HB2 ALA A 85 0.042 -4.878 5.143 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.850 -3.943 6.424 1.00 0.28 H new ATOM 1522 N GLU A 86 3.250 -2.598 5.992 1.00 0.31 N ATOM 1523 CA GLU A 86 3.956 -1.386 6.374 1.00 0.37 C ATOM 1524 C GLU A 86 5.261 -1.239 5.593 1.00 0.44 C ATOM 1525 O GLU A 86 5.791 -0.139 5.464 1.00 0.70 O ATOM 1526 CB GLU A 86 4.215 -1.365 7.884 1.00 0.43 C ATOM 1527 CG GLU A 86 2.936 -1.304 8.706 1.00 0.55 C ATOM 1528 CD GLU A 86 3.193 -1.187 10.196 1.00 0.95 C ATOM 1529 OE1 GLU A 86 3.783 -2.118 10.781 1.00 1.11 O ATOM 1530 OE2 GLU A 86 2.805 -0.157 10.793 1.00 1.96 O ATOM 0 H GLU A 86 3.231 -3.322 6.710 1.00 0.31 H new ATOM 0 HA GLU A 86 3.323 -0.534 6.125 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.777 -2.256 8.163 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.839 -0.505 8.128 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.340 -0.452 8.378 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.345 -2.199 8.514 1.00 0.55 H new ATOM 1537 N LYS A 87 5.760 -2.348 5.051 1.00 0.41 N ATOM 1538 CA LYS A 87 6.993 -2.337 4.288 1.00 0.49 C ATOM 1539 C LYS A 87 6.719 -2.088 2.803 1.00 0.49 C ATOM 1540 O LYS A 87 7.433 -1.338 2.144 1.00 0.57 O ATOM 1541 CB LYS A 87 7.719 -3.671 4.474 1.00 0.57 C ATOM 1542 CG LYS A 87 9.051 -3.750 3.755 1.00 0.69 C ATOM 1543 CD LYS A 87 9.985 -2.616 4.161 1.00 1.25 C ATOM 1544 CE LYS A 87 10.296 -2.640 5.649 1.00 1.75 C ATOM 1545 NZ LYS A 87 10.957 -1.387 6.094 1.00 2.12 N ATOM 0 H LYS A 87 5.323 -3.266 5.130 1.00 0.41 H new ATOM 0 HA LYS A 87 7.622 -1.525 4.653 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.881 -3.840 5.539 1.00 0.57 H new ATOM 0 HB3 LYS A 87 7.076 -4.476 4.118 1.00 0.57 H new ATOM 0 HG2 LYS A 87 9.525 -4.707 3.974 1.00 0.69 H new ATOM 0 HG3 LYS A 87 8.885 -3.715 2.678 1.00 0.69 H new ATOM 0 HD2 LYS A 87 10.914 -2.691 3.595 1.00 1.25 H new ATOM 0 HD3 LYS A 87 9.530 -1.660 3.901 1.00 1.25 H new ATOM 0 HE2 LYS A 87 9.373 -2.784 6.211 1.00 1.75 H new ATOM 0 HE3 LYS A 87 10.941 -3.490 5.872 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 11.465 -1.560 6.985 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 11.631 -1.073 5.367 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 10.239 -0.649 6.242 1.00 2.12 H new ATOM 1559 N SER A 88 5.690 -2.727 2.277 1.00 0.46 N ATOM 1560 CA SER A 88 5.341 -2.570 0.875 1.00 0.51 C ATOM 1561 C SER A 88 4.750 -1.184 0.609 1.00 0.51 C ATOM 1562 O SER A 88 5.107 -0.518 -0.365 1.00 0.57 O ATOM 1563 CB SER A 88 4.364 -3.673 0.461 1.00 0.56 C ATOM 1564 OG SER A 88 3.262 -3.737 1.353 1.00 0.48 O ATOM 0 H SER A 88 5.082 -3.359 2.798 1.00 0.46 H new ATOM 0 HA SER A 88 6.246 -2.659 0.274 1.00 0.51 H new ATOM 0 HB2 SER A 88 4.007 -3.486 -0.552 1.00 0.56 H new ATOM 0 HB3 SER A 88 4.880 -4.633 0.445 1.00 0.56 H new ATOM 0 HG SER A 88 3.537 -4.184 2.181 1.00 0.48 H new ATOM 1570 N ILE A 89 3.863 -0.746 1.493 1.00 0.50 N ATOM 1571 CA ILE A 89 3.211 0.543 1.349 1.00 0.56 C ATOM 1572 C ILE A 89 4.193 1.704 1.529 1.00 0.55 C ATOM 1573 O ILE A 89 4.026 2.755 0.913 1.00 0.59 O ATOM 1574 CB ILE A 89 2.030 0.676 2.336 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.957 -0.364 2.000 1.00 0.83 C ATOM 1576 CG2 ILE A 89 1.442 2.078 2.304 1.00 0.79 C ATOM 1577 CD1 ILE A 89 -0.212 -0.359 2.956 1.00 1.09 C ATOM 0 H ILE A 89 3.579 -1.270 2.321 1.00 0.50 H new ATOM 0 HA ILE A 89 2.823 0.595 0.332 1.00 0.56 H new ATOM 0 HB ILE A 89 2.400 0.496 3.345 1.00 0.63 H new ATOM 0 HG12 ILE A 89 0.590 -0.182 0.990 1.00 0.83 H new ATOM 0 HG13 ILE A 89 1.411 -1.355 2.000 1.00 0.83 H new ATOM 0 HG21 ILE A 89 0.613 2.141 3.009 1.00 0.79 H new ATOM 0 HG22 ILE A 89 2.209 2.801 2.581 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.082 2.299 1.299 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -0.931 -1.121 2.655 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.142 -0.572 3.965 1.00 1.09 H new ATOM 0 HD13 ILE A 89 -0.692 0.620 2.939 1.00 1.09 H new ATOM 1584 N GLU A 90 5.233 1.521 2.344 1.00 0.53 N ATOM 1585 CA GLU A 90 6.208 2.592 2.542 1.00 0.60 C ATOM 1586 C GLU A 90 6.982 2.838 1.250 1.00 0.56 C ATOM 1587 O GLU A 90 7.420 3.959 0.984 1.00 0.63 O ATOM 1588 CB GLU A 90 7.170 2.297 3.704 1.00 0.69 C ATOM 1589 CG GLU A 90 8.159 1.178 3.432 1.00 1.28 C ATOM 1590 CD GLU A 90 9.179 1.014 4.539 1.00 2.08 C ATOM 1591 OE1 GLU A 90 8.912 0.272 5.503 1.00 2.82 O ATOM 1592 OE2 GLU A 90 10.263 1.625 4.445 1.00 2.41 O ATOM 0 H GLU A 90 5.419 0.664 2.865 1.00 0.53 H new ATOM 0 HA GLU A 90 5.657 3.494 2.809 1.00 0.60 H new ATOM 0 HB2 GLU A 90 7.724 3.205 3.940 1.00 0.69 H new ATOM 0 HB3 GLU A 90 6.585 2.042 4.588 1.00 0.69 H new ATOM 0 HG2 GLU A 90 7.615 0.242 3.304 1.00 1.28 H new ATOM 0 HG3 GLU A 90 8.677 1.377 2.494 1.00 1.28 H new ATOM 1599 N ILE A 91 7.126 1.794 0.435 1.00 0.47 N ATOM 1600 CA ILE A 91 7.727 1.932 -0.882 1.00 0.46 C ATOM 1601 C ILE A 91 6.811 2.765 -1.772 1.00 0.47 C ATOM 1602 O ILE A 91 7.259 3.689 -2.453 1.00 0.51 O ATOM 1603 CB ILE A 91 7.977 0.559 -1.548 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.920 -0.294 -0.692 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.552 0.745 -2.945 1.00 0.49 C ATOM 1606 CD1 ILE A 91 9.183 -1.673 -1.265 1.00 0.45 C ATOM 0 H ILE A 91 6.833 0.845 0.668 1.00 0.47 H new ATOM 0 HA ILE A 91 8.691 2.426 -0.759 1.00 0.46 H new ATOM 0 HB ILE A 91 7.023 0.038 -1.630 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.869 0.230 -0.580 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.495 -0.400 0.306 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.723 -0.230 -3.401 1.00 0.49 H new ATOM 0 HG22 ILE A 91 7.849 1.313 -3.555 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.496 1.286 -2.881 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.858 -2.218 -0.606 1.00 0.45 H new ATOM 0 HD12 ILE A 91 8.242 -2.217 -1.351 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.638 -1.577 -2.251 1.00 0.45 H new ATOM 1613 N ALA A 92 5.520 2.452 -1.727 1.00 0.47 N ATOM 1614 CA ALA A 92 4.524 3.178 -2.504 1.00 0.53 C ATOM 1615 C ALA A 92 4.473 4.640 -2.078 1.00 0.60 C ATOM 1616 O ALA A 92 4.326 5.542 -2.906 1.00 0.64 O ATOM 1617 CB ALA A 92 3.154 2.531 -2.348 1.00 0.56 C ATOM 0 H ALA A 92 5.139 1.697 -1.157 1.00 0.47 H new ATOM 0 HA ALA A 92 4.810 3.136 -3.555 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.421 3.085 -2.934 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.196 1.500 -2.700 1.00 0.56 H new ATOM 0 HB3 ALA A 92 2.863 2.544 -1.298 1.00 0.56 H new ATOM 1623 N ARG A 93 4.594 4.863 -0.777 1.00 0.66 N ATOM 1624 CA ARG A 93 4.623 6.210 -0.234 1.00 0.77 C ATOM 1625 C ARG A 93 5.903 6.926 -0.644 1.00 0.68 C ATOM 1626 O ARG A 93 5.917 8.147 -0.777 1.00 0.68 O ATOM 1627 CB ARG A 93 4.505 6.191 1.291 1.00 0.99 C ATOM 1628 CG ARG A 93 3.197 5.609 1.800 1.00 1.55 C ATOM 1629 CD ARG A 93 3.025 5.832 3.295 1.00 1.83 C ATOM 1630 NE ARG A 93 4.189 5.387 4.061 1.00 2.71 N ATOM 1631 CZ ARG A 93 4.120 4.693 5.197 1.00 3.44 C ATOM 1632 NH1 ARG A 93 2.943 4.331 5.695 1.00 3.55 N ATOM 1633 NH2 ARG A 93 5.234 4.366 5.836 1.00 4.42 N ATOM 0 H ARG A 93 4.674 4.125 -0.078 1.00 0.66 H new ATOM 0 HA ARG A 93 3.768 6.750 -0.641 1.00 0.77 H new ATOM 0 HB2 ARG A 93 5.333 5.614 1.703 1.00 0.99 H new ATOM 0 HB3 ARG A 93 4.609 7.209 1.666 1.00 0.99 H new ATOM 0 HG2 ARG A 93 2.364 6.065 1.266 1.00 1.55 H new ATOM 0 HG3 ARG A 93 3.166 4.541 1.586 1.00 1.55 H new ATOM 0 HD2 ARG A 93 2.852 6.891 3.484 1.00 1.83 H new ATOM 0 HD3 ARG A 93 2.140 5.298 3.640 1.00 1.83 H new ATOM 0 HE ARG A 93 5.114 5.623 3.702 1.00 2.71 H new ATOM 0 HH11 ARG A 93 2.083 4.584 5.208 1.00 3.55 H new ATOM 0 HH12 ARG A 93 2.899 3.800 6.565 1.00 3.55 H new ATOM 0 HH21 ARG A 93 6.139 4.645 5.458 1.00 4.42 H new ATOM 0 HH22 ARG A 93 5.186 3.835 6.706 1.00 4.42 H new ATOM 1647 N GLY A 94 6.966 6.157 -0.854 1.00 0.66 N ATOM 1648 CA GLY A 94 8.241 6.726 -1.245 1.00 0.65 C ATOM 1649 C GLY A 94 8.247 7.189 -2.686 1.00 0.56 C ATOM 1650 O GLY A 94 8.923 8.156 -3.033 1.00 0.56 O ATOM 0 H GLY A 94 6.966 5.141 -0.759 1.00 0.66 H new ATOM 0 HA2 GLY A 94 8.475 7.569 -0.594 1.00 0.65 H new ATOM 0 HA3 GLY A 94 9.027 5.984 -1.101 1.00 0.65 H new ATOM 1654 N ILE A 95 7.486 6.503 -3.527 1.00 0.52 N ATOM 1655 CA ILE A 95 7.364 6.884 -4.927 1.00 0.48 C ATOM 1656 C ILE A 95 6.707 8.251 -5.046 1.00 0.47 C ATOM 1657 O ILE A 95 7.228 9.150 -5.705 1.00 0.49 O ATOM 1658 CB ILE A 95 6.551 5.843 -5.728 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.264 4.492 -5.710 1.00 0.53 C ATOM 1660 CG2 ILE A 95 6.328 6.308 -7.161 1.00 0.52 C ATOM 1661 CD1 ILE A 95 8.682 4.553 -6.238 1.00 0.55 C ATOM 0 H ILE A 95 6.944 5.680 -3.264 1.00 0.52 H new ATOM 0 HA ILE A 95 8.369 6.927 -5.346 1.00 0.48 H new ATOM 0 HB ILE A 95 5.575 5.734 -5.255 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.281 4.112 -4.689 1.00 0.53 H new ATOM 0 HG13 ILE A 95 6.693 3.780 -6.306 1.00 0.53 H new ATOM 0 HG21 ILE A 95 5.753 5.556 -7.702 1.00 0.52 H new ATOM 0 HG22 ILE A 95 5.780 7.250 -7.157 1.00 0.52 H new ATOM 0 HG23 ILE A 95 7.291 6.451 -7.651 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.129 3.560 -6.197 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.671 4.903 -7.270 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.268 5.240 -5.628 1.00 0.55 H new ATOM 1668 N LYS A 96 5.575 8.415 -4.377 1.00 0.50 N ATOM 1669 CA LYS A 96 4.878 9.692 -4.381 1.00 0.54 C ATOM 1670 C LYS A 96 5.527 10.668 -3.414 1.00 0.57 C ATOM 1671 O LYS A 96 5.194 11.846 -3.424 1.00 0.83 O ATOM 1672 CB LYS A 96 3.385 9.525 -4.079 1.00 0.64 C ATOM 1673 CG LYS A 96 3.088 9.145 -2.634 1.00 1.47 C ATOM 1674 CD LYS A 96 1.596 8.973 -2.398 1.00 1.78 C ATOM 1675 CE LYS A 96 1.280 8.762 -0.923 1.00 1.90 C ATOM 1676 NZ LYS A 96 1.618 9.958 -0.100 1.00 2.70 N ATOM 0 H LYS A 96 5.122 7.684 -3.828 1.00 0.50 H new ATOM 0 HA LYS A 96 4.960 10.106 -5.386 1.00 0.54 H new ATOM 0 HB2 LYS A 96 2.870 10.457 -4.313 1.00 0.64 H new ATOM 0 HB3 LYS A 96 2.974 8.760 -4.738 1.00 0.64 H new ATOM 0 HG2 LYS A 96 3.606 8.218 -2.387 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.476 9.915 -1.967 1.00 1.47 H new ATOM 0 HD2 LYS A 96 1.066 9.853 -2.761 1.00 1.78 H new ATOM 0 HD3 LYS A 96 1.232 8.122 -2.974 1.00 1.78 H new ATOM 0 HE2 LYS A 96 0.221 8.532 -0.809 1.00 1.90 H new ATOM 0 HE3 LYS A 96 1.835 7.900 -0.554 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 1.046 9.954 0.769 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 2.627 9.934 0.150 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 1.417 10.822 -0.643 1.00 2.70 H new ATOM 1690 N ALA A 97 6.480 10.204 -2.623 1.00 0.50 N ATOM 1691 CA ALA A 97 7.321 11.113 -1.857 1.00 0.53 C ATOM 1692 C ALA A 97 8.250 11.854 -2.798 1.00 0.46 C ATOM 1693 O ALA A 97 8.550 13.029 -2.596 1.00 0.48 O ATOM 1694 CB ALA A 97 8.116 10.366 -0.796 1.00 0.63 C ATOM 0 H ALA A 97 6.691 9.214 -2.494 1.00 0.50 H new ATOM 0 HA ALA A 97 6.682 11.830 -1.342 1.00 0.53 H new ATOM 0 HB1 ALA A 97 8.734 11.071 -0.241 1.00 0.63 H new ATOM 0 HB2 ALA A 97 7.430 9.867 -0.111 1.00 0.63 H new ATOM 0 HB3 ALA A 97 8.754 9.623 -1.275 1.00 0.63 H new ATOM 1700 N ARG A 98 8.663 11.173 -3.854 1.00 0.41 N ATOM 1701 CA ARG A 98 9.481 11.789 -4.885 1.00 0.44 C ATOM 1702 C ARG A 98 8.593 12.490 -5.905 1.00 0.44 C ATOM 1703 O ARG A 98 9.084 13.151 -6.813 1.00 0.53 O ATOM 1704 CB ARG A 98 10.372 10.765 -5.580 1.00 0.51 C ATOM 1705 CG ARG A 98 11.307 10.008 -4.658 1.00 1.02 C ATOM 1706 CD ARG A 98 12.088 8.962 -5.432 1.00 0.81 C ATOM 1707 NE ARG A 98 12.843 9.560 -6.533 1.00 1.51 N ATOM 1708 CZ ARG A 98 13.467 8.863 -7.480 1.00 1.94 C ATOM 1709 NH1 ARG A 98 13.420 7.538 -7.478 1.00 1.37 N ATOM 1710 NH2 ARG A 98 14.129 9.496 -8.438 1.00 3.10 N ATOM 0 H ARG A 98 8.444 10.191 -4.020 1.00 0.41 H new ATOM 0 HA ARG A 98 10.129 12.522 -4.405 1.00 0.44 H new ATOM 0 HB2 ARG A 98 9.739 10.047 -6.102 1.00 0.51 H new ATOM 0 HB3 ARG A 98 10.966 11.276 -6.338 1.00 0.51 H new ATOM 0 HG2 ARG A 98 11.996 10.704 -4.179 1.00 1.02 H new ATOM 0 HG3 ARG A 98 10.734 9.529 -3.864 1.00 1.02 H new ATOM 0 HD2 ARG A 98 12.772 8.446 -4.759 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.402 8.212 -5.826 1.00 0.81 H new ATOM 0 HE ARG A 98 12.895 10.578 -6.578 1.00 1.51 H new ATOM 0 HH11 ARG A 98 12.904 7.047 -6.748 1.00 1.37 H new ATOM 0 HH12 ARG A 98 13.900 7.010 -8.206 1.00 1.37 H new ATOM 0 HH21 ARG A 98 14.160 10.515 -8.449 1.00 3.10 H new ATOM 0 HH22 ARG A 98 14.608 8.964 -9.164 1.00 3.10 H new ATOM 1724 N TYR A 99 7.288 12.365 -5.750 1.00 0.44 N ATOM 1725 CA TYR A 99 6.385 13.223 -6.491 1.00 0.50 C ATOM 1726 C TYR A 99 6.138 14.503 -5.701 1.00 0.54 C ATOM 1727 O TYR A 99 5.976 15.572 -6.284 1.00 0.64 O ATOM 1728 CB TYR A 99 5.069 12.512 -6.836 1.00 0.53 C ATOM 1729 CG TYR A 99 5.201 11.533 -7.990 1.00 0.59 C ATOM 1730 CD1 TYR A 99 5.754 11.937 -9.201 1.00 0.73 C ATOM 1731 CD2 TYR A 99 4.772 10.214 -7.876 1.00 0.60 C ATOM 1732 CE1 TYR A 99 5.880 11.057 -10.259 1.00 0.85 C ATOM 1733 CE2 TYR A 99 4.896 9.330 -8.932 1.00 0.71 C ATOM 1734 CZ TYR A 99 5.451 9.755 -10.118 1.00 0.83 C ATOM 1735 OH TYR A 99 5.577 8.876 -11.169 1.00 0.97 O ATOM 0 H TYR A 99 6.837 11.692 -5.131 1.00 0.44 H new ATOM 0 HA TYR A 99 6.853 13.478 -7.442 1.00 0.50 H new ATOM 0 HB2 TYR A 99 4.710 11.979 -5.955 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.315 13.259 -7.086 1.00 0.53 H new ATOM 0 HD1 TYR A 99 6.091 12.957 -9.316 1.00 0.73 H new ATOM 0 HD2 TYR A 99 4.335 9.876 -6.948 1.00 0.60 H new ATOM 0 HE1 TYR A 99 6.312 11.388 -11.192 1.00 0.85 H new ATOM 0 HE2 TYR A 99 4.559 8.309 -8.827 1.00 0.71 H new ATOM 0 HH TYR A 99 6.524 8.668 -11.309 1.00 0.97 H new ATOM 1745 N TYR A 100 6.153 14.402 -4.370 1.00 0.51 N ATOM 1746 CA TYR A 100 6.011 15.579 -3.518 1.00 0.58 C ATOM 1747 C TYR A 100 7.250 16.462 -3.611 1.00 0.58 C ATOM 1748 O TYR A 100 7.162 17.645 -3.932 1.00 0.71 O ATOM 1749 CB TYR A 100 5.790 15.202 -2.047 1.00 0.57 C ATOM 1750 CG TYR A 100 4.466 14.536 -1.757 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.267 15.125 -2.125 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.420 13.311 -1.115 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.061 14.505 -1.859 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.226 12.683 -0.853 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.048 13.280 -1.224 1.00 1.21 C ATOM 1756 OH TYR A 100 0.855 12.642 -0.960 1.00 1.48 O ATOM 0 H TYR A 100 6.261 13.523 -3.864 1.00 0.51 H new ATOM 0 HA TYR A 100 5.135 16.119 -3.877 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.593 14.535 -1.733 1.00 0.57 H new ATOM 0 HB3 TYR A 100 5.868 16.104 -1.440 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.275 16.081 -2.626 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.343 12.838 -0.813 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.133 14.977 -2.147 1.00 1.26 H new ATOM 0 HE2 TYR A 100 3.215 11.724 -0.357 1.00 1.16 H new ATOM 0 HH TYR A 100 0.262 13.248 -0.469 1.00 1.48 H new ATOM 1766 N THR A 101 8.406 15.856 -3.350 1.00 0.55 N ATOM 1767 CA THR A 101 9.669 16.576 -3.227 1.00 0.66 C ATOM 1768 C THR A 101 10.068 17.313 -4.499 1.00 0.71 C ATOM 1769 O THR A 101 10.770 18.322 -4.442 1.00 0.71 O ATOM 1770 CB THR A 101 10.809 15.610 -2.863 1.00 0.71 C ATOM 1771 OG1 THR A 101 10.830 14.505 -3.774 1.00 0.65 O ATOM 1772 CG2 THR A 101 10.656 15.102 -1.436 1.00 0.87 C ATOM 0 H THR A 101 8.492 14.848 -3.218 1.00 0.55 H new ATOM 0 HA THR A 101 9.510 17.312 -2.439 1.00 0.66 H new ATOM 0 HB THR A 101 11.751 16.153 -2.937 1.00 0.71 H new ATOM 0 HG1 THR A 101 11.450 13.821 -3.445 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.474 14.421 -1.203 1.00 0.87 H new ATOM 0 HG22 THR A 101 10.678 15.945 -0.745 1.00 0.87 H new ATOM 0 HG23 THR A 101 9.706 14.576 -1.337 1.00 0.87 H new ATOM 1780 N GLY A 102 9.611 16.817 -5.642 1.00 0.82 N ATOM 1781 CA GLY A 102 10.084 17.332 -6.912 1.00 0.95 C ATOM 1782 C GLY A 102 11.083 16.398 -7.572 1.00 0.95 C ATOM 1783 O GLY A 102 11.422 16.569 -8.745 1.00 1.16 O ATOM 0 H GLY A 102 8.922 16.068 -5.712 1.00 0.82 H new ATOM 0 HA2 GLY A 102 9.236 17.484 -7.579 1.00 0.95 H new ATOM 0 HA3 GLY A 102 10.547 18.307 -6.757 1.00 0.95 H new ATOM 1787 N ASN A 103 11.537 15.397 -6.823 1.00 0.82 N ATOM 1788 CA ASN A 103 12.520 14.435 -7.326 1.00 0.89 C ATOM 1789 C ASN A 103 11.822 13.315 -8.087 1.00 0.98 C ATOM 1790 O ASN A 103 11.973 12.141 -7.748 1.00 1.83 O ATOM 1791 CB ASN A 103 13.333 13.838 -6.170 1.00 0.90 C ATOM 1792 CG ASN A 103 14.210 14.855 -5.463 1.00 1.28 C ATOM 1793 OD1 ASN A 103 14.715 15.797 -6.074 1.00 1.76 O ATOM 1794 ND2 ASN A 103 14.398 14.667 -4.167 1.00 1.65 N ATOM 0 H ASN A 103 11.240 15.228 -5.862 1.00 0.82 H new ATOM 0 HA ASN A 103 13.196 14.962 -8.000 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.650 13.393 -5.447 1.00 0.90 H new ATOM 0 HB3 ASN A 103 13.960 13.033 -6.554 1.00 0.90 H new ATOM 0 HD21 ASN A 103 14.980 15.316 -3.637 1.00 1.65 H new ATOM 0 HD22 ASN A 103 13.961 13.873 -3.698 1.00 1.65 H new ATOM 1801 N GLU A 104 11.075 13.695 -9.122 1.00 0.56 N ATOM 1802 CA GLU A 104 10.210 12.776 -9.864 1.00 0.56 C ATOM 1803 C GLU A 104 10.931 11.501 -10.292 1.00 0.49 C ATOM 1804 O GLU A 104 11.984 11.548 -10.933 1.00 0.55 O ATOM 1805 CB GLU A 104 9.639 13.469 -11.098 1.00 0.67 C ATOM 1806 CG GLU A 104 8.686 14.606 -10.779 1.00 0.80 C ATOM 1807 CD GLU A 104 8.233 15.336 -12.023 1.00 1.15 C ATOM 1808 OE1 GLU A 104 7.235 14.914 -12.640 1.00 1.75 O ATOM 1809 OE2 GLU A 104 8.891 16.329 -12.400 1.00 1.17 O ATOM 0 H GLU A 104 11.052 14.653 -9.472 1.00 0.56 H new ATOM 0 HA GLU A 104 9.407 12.489 -9.185 1.00 0.56 H new ATOM 0 HB2 GLU A 104 10.462 13.856 -11.699 1.00 0.67 H new ATOM 0 HB3 GLU A 104 9.118 12.731 -11.708 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.816 14.212 -10.254 1.00 0.80 H new ATOM 0 HG3 GLU A 104 9.175 15.309 -10.104 1.00 0.80 H new ATOM 1816 N PRO A 105 10.365 10.343 -9.925 1.00 0.44 N ATOM 1817 CA PRO A 105 10.882 9.040 -10.344 1.00 0.44 C ATOM 1818 C PRO A 105 10.559 8.760 -11.806 1.00 0.42 C ATOM 1819 O PRO A 105 9.483 9.125 -12.288 1.00 0.47 O ATOM 1820 CB PRO A 105 10.141 8.060 -9.433 1.00 0.48 C ATOM 1821 CG PRO A 105 8.874 8.751 -9.065 1.00 0.53 C ATOM 1822 CD PRO A 105 9.178 10.221 -9.059 1.00 0.49 C ATOM 0 HA PRO A 105 11.967 8.972 -10.264 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.942 7.119 -9.946 1.00 0.48 H new ATOM 0 HB3 PRO A 105 10.731 7.822 -8.548 1.00 0.48 H new ATOM 0 HG2 PRO A 105 8.084 8.521 -9.780 1.00 0.53 H new ATOM 0 HG3 PRO A 105 8.523 8.423 -8.086 1.00 0.53 H new ATOM 0 HD2 PRO A 105 8.341 10.803 -9.444 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.380 10.583 -8.051 1.00 0.49 H new ATOM 1830 N THR A 106 11.475 8.128 -12.515 1.00 0.42 N ATOM 1831 CA THR A 106 11.225 7.762 -13.895 1.00 0.42 C ATOM 1832 C THR A 106 10.343 6.517 -13.940 1.00 0.39 C ATOM 1833 O THR A 106 10.125 5.888 -12.905 1.00 0.41 O ATOM 1834 CB THR A 106 12.541 7.526 -14.670 1.00 0.50 C ATOM 1835 OG1 THR A 106 12.274 7.350 -16.067 1.00 1.48 O ATOM 1836 CG2 THR A 106 13.276 6.310 -14.132 1.00 1.05 C ATOM 0 H THR A 106 12.393 7.859 -12.161 1.00 0.42 H new ATOM 0 HA THR A 106 10.709 8.590 -14.382 1.00 0.42 H new ATOM 0 HB THR A 106 13.172 8.404 -14.534 1.00 0.50 H new ATOM 0 HG1 THR A 106 13.117 7.203 -16.545 1.00 1.48 H new ATOM 0 HG21 THR A 106 14.199 6.165 -14.694 1.00 1.05 H new ATOM 0 HG22 THR A 106 13.512 6.464 -13.079 1.00 1.05 H new ATOM 0 HG23 THR A 106 12.645 5.428 -14.237 1.00 1.05 H new ATOM 1844 N LYS A 107 9.832 6.153 -15.105 1.00 0.39 N ATOM 1845 CA LYS A 107 8.891 5.041 -15.186 1.00 0.39 C ATOM 1846 C LYS A 107 9.546 3.744 -14.707 1.00 0.36 C ATOM 1847 O LYS A 107 8.903 2.903 -14.075 1.00 0.38 O ATOM 1848 CB LYS A 107 8.360 4.884 -16.613 1.00 0.43 C ATOM 1849 CG LYS A 107 7.296 3.805 -16.754 1.00 1.33 C ATOM 1850 CD LYS A 107 6.675 3.785 -18.145 1.00 1.66 C ATOM 1851 CE LYS A 107 5.611 4.866 -18.326 1.00 2.22 C ATOM 1852 NZ LYS A 107 6.171 6.248 -18.347 1.00 2.88 N ATOM 0 H LYS A 107 10.046 6.601 -15.996 1.00 0.39 H new ATOM 0 HA LYS A 107 8.047 5.260 -14.531 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.945 5.836 -16.944 1.00 0.43 H new ATOM 0 HB3 LYS A 107 9.192 4.651 -17.277 1.00 0.43 H new ATOM 0 HG2 LYS A 107 7.738 2.832 -16.542 1.00 1.33 H new ATOM 0 HG3 LYS A 107 6.515 3.969 -16.012 1.00 1.33 H new ATOM 0 HD2 LYS A 107 7.458 3.922 -18.891 1.00 1.66 H new ATOM 0 HD3 LYS A 107 6.229 2.807 -18.326 1.00 1.66 H new ATOM 0 HE2 LYS A 107 5.074 4.685 -19.257 1.00 2.22 H new ATOM 0 HE3 LYS A 107 4.883 4.789 -17.518 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 5.583 6.852 -18.956 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 6.179 6.634 -17.381 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 7.142 6.223 -18.718 1.00 2.88 H new ATOM 1866 N ASP A 108 10.839 3.612 -14.985 1.00 0.36 N ATOM 1867 CA ASP A 108 11.596 2.429 -14.587 1.00 0.38 C ATOM 1868 C ASP A 108 11.690 2.326 -13.066 1.00 0.36 C ATOM 1869 O ASP A 108 11.751 1.228 -12.512 1.00 0.38 O ATOM 1870 CB ASP A 108 12.997 2.460 -15.199 1.00 0.47 C ATOM 1871 CG ASP A 108 13.799 1.212 -14.885 1.00 1.29 C ATOM 1872 OD1 ASP A 108 13.515 0.150 -15.481 1.00 1.26 O ATOM 1873 OD2 ASP A 108 14.699 1.283 -14.020 1.00 2.24 O ATOM 0 H ASP A 108 11.386 4.312 -15.486 1.00 0.36 H new ATOM 0 HA ASP A 108 11.068 1.551 -14.959 1.00 0.38 H new ATOM 0 HB2 ASP A 108 12.915 2.572 -16.280 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.532 3.334 -14.828 1.00 0.47 H new ATOM 1878 N ASP A 109 11.685 3.477 -12.394 1.00 0.36 N ATOM 1879 CA ASP A 109 11.691 3.518 -10.938 1.00 0.37 C ATOM 1880 C ASP A 109 10.418 2.888 -10.388 1.00 0.34 C ATOM 1881 O ASP A 109 10.444 2.155 -9.401 1.00 0.36 O ATOM 1882 CB ASP A 109 11.786 4.961 -10.452 1.00 0.39 C ATOM 1883 CG ASP A 109 12.237 5.036 -9.005 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.448 4.834 -8.748 1.00 0.94 O ATOM 1885 OD2 ASP A 109 11.402 5.299 -8.124 1.00 1.73 O ATOM 0 H ASP A 109 11.677 4.394 -12.840 1.00 0.36 H new ATOM 0 HA ASP A 109 12.556 2.958 -10.582 1.00 0.37 H new ATOM 0 HB2 ASP A 109 12.486 5.512 -11.081 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.815 5.445 -10.556 1.00 0.39 H new ATOM 1890 N LEU A 110 9.299 3.176 -11.056 1.00 0.30 N ATOM 1891 CA LEU A 110 8.004 2.634 -10.663 1.00 0.30 C ATOM 1892 C LEU A 110 7.928 1.149 -10.974 1.00 0.29 C ATOM 1893 O LEU A 110 7.440 0.365 -10.167 1.00 0.33 O ATOM 1894 CB LEU A 110 6.850 3.368 -11.357 1.00 0.30 C ATOM 1895 CG LEU A 110 6.414 4.686 -10.707 1.00 0.38 C ATOM 1896 CD1 LEU A 110 7.508 5.733 -10.805 1.00 0.82 C ATOM 1897 CD2 LEU A 110 5.134 5.193 -11.348 1.00 0.82 C ATOM 0 H LEU A 110 9.268 3.784 -11.874 1.00 0.30 H new ATOM 0 HA LEU A 110 7.904 2.782 -9.588 1.00 0.30 H new ATOM 0 HB2 LEU A 110 7.141 3.571 -12.388 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.989 2.700 -11.394 1.00 0.30 H new ATOM 0 HG LEU A 110 6.225 4.496 -9.650 1.00 0.38 H new ATOM 0 HD11 LEU A 110 7.170 6.657 -10.336 1.00 0.82 H new ATOM 0 HD12 LEU A 110 8.402 5.373 -10.296 1.00 0.82 H new ATOM 0 HD13 LEU A 110 7.738 5.922 -11.854 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.837 6.129 -10.876 1.00 0.82 H new ATOM 0 HD22 LEU A 110 5.301 5.360 -12.412 1.00 0.82 H new ATOM 0 HD23 LEU A 110 4.344 4.454 -11.217 1.00 0.82 H new ATOM 1909 N LYS A 111 8.422 0.763 -12.140 1.00 0.28 N ATOM 1910 CA LYS A 111 8.468 -0.644 -12.509 1.00 0.31 C ATOM 1911 C LYS A 111 9.224 -1.438 -11.450 1.00 0.33 C ATOM 1912 O LYS A 111 8.805 -2.522 -11.050 1.00 0.35 O ATOM 1913 CB LYS A 111 9.128 -0.820 -13.878 1.00 0.37 C ATOM 1914 CG LYS A 111 8.299 -0.256 -15.023 1.00 0.93 C ATOM 1915 CD LYS A 111 9.013 -0.391 -16.361 1.00 0.92 C ATOM 1916 CE LYS A 111 9.270 -1.847 -16.714 1.00 1.02 C ATOM 1917 NZ LYS A 111 9.965 -1.993 -18.019 1.00 1.74 N ATOM 0 H LYS A 111 8.795 1.400 -12.844 1.00 0.28 H new ATOM 0 HA LYS A 111 7.447 -1.021 -12.570 1.00 0.31 H new ATOM 0 HB2 LYS A 111 10.102 -0.332 -13.869 1.00 0.37 H new ATOM 0 HB3 LYS A 111 9.305 -1.881 -14.055 1.00 0.37 H new ATOM 0 HG2 LYS A 111 7.342 -0.775 -15.068 1.00 0.93 H new ATOM 0 HG3 LYS A 111 8.083 0.795 -14.831 1.00 0.93 H new ATOM 0 HD2 LYS A 111 8.412 0.073 -17.143 1.00 0.92 H new ATOM 0 HD3 LYS A 111 9.960 0.148 -16.325 1.00 0.92 H new ATOM 0 HE2 LYS A 111 9.871 -2.309 -15.930 1.00 1.02 H new ATOM 0 HE3 LYS A 111 8.322 -2.384 -16.747 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 10.120 -3.002 -18.219 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 9.381 -1.576 -18.772 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 10.882 -1.503 -17.981 1.00 1.74 H new ATOM 1931 N ALA A 112 10.334 -0.876 -10.988 1.00 0.36 N ATOM 1932 CA ALA A 112 11.131 -1.489 -9.934 1.00 0.42 C ATOM 1933 C ALA A 112 10.403 -1.507 -8.592 1.00 0.43 C ATOM 1934 O ALA A 112 10.505 -2.474 -7.838 1.00 0.47 O ATOM 1935 CB ALA A 112 12.455 -0.759 -9.790 1.00 0.46 C ATOM 0 H ALA A 112 10.705 0.011 -11.330 1.00 0.36 H new ATOM 0 HA ALA A 112 11.308 -2.524 -10.225 1.00 0.42 H new ATOM 0 HB1 ALA A 112 13.043 -1.225 -9.000 1.00 0.46 H new ATOM 0 HB2 ALA A 112 13.004 -0.812 -10.730 1.00 0.46 H new ATOM 0 HB3 ALA A 112 12.269 0.285 -9.537 1.00 0.46 H new ATOM 1941 N SER A 113 9.685 -0.437 -8.282 1.00 0.41 N ATOM 1942 CA SER A 113 9.011 -0.330 -6.994 1.00 0.45 C ATOM 1943 C SER A 113 7.773 -1.218 -6.909 1.00 0.40 C ATOM 1944 O SER A 113 7.483 -1.759 -5.840 1.00 0.44 O ATOM 1945 CB SER A 113 8.662 1.122 -6.689 1.00 0.54 C ATOM 1946 OG SER A 113 8.181 1.784 -7.836 1.00 1.34 O ATOM 0 H SER A 113 9.554 0.365 -8.899 1.00 0.41 H new ATOM 0 HA SER A 113 9.708 -0.689 -6.237 1.00 0.45 H new ATOM 0 HB2 SER A 113 7.909 1.160 -5.902 1.00 0.54 H new ATOM 0 HB3 SER A 113 9.544 1.639 -6.311 1.00 0.54 H new ATOM 0 HG SER A 113 8.938 2.085 -8.382 1.00 1.34 H new ATOM 1952 N VAL A 114 7.060 -1.418 -8.018 1.00 0.36 N ATOM 1953 CA VAL A 114 5.909 -2.305 -7.995 1.00 0.36 C ATOM 1954 C VAL A 114 6.423 -3.732 -7.942 1.00 0.35 C ATOM 1955 O VAL A 114 5.780 -4.640 -7.423 1.00 0.37 O ATOM 1956 CB VAL A 114 4.991 -2.136 -9.236 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.704 -0.674 -9.512 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.581 -2.792 -10.469 1.00 0.56 C ATOM 0 H VAL A 114 7.257 -0.987 -8.921 1.00 0.36 H new ATOM 0 HA VAL A 114 5.305 -2.058 -7.122 1.00 0.36 H new ATOM 0 HB VAL A 114 4.052 -2.639 -9.003 1.00 0.36 H new ATOM 0 HG11 VAL A 114 4.059 -0.589 -10.387 1.00 0.65 H new ATOM 0 HG12 VAL A 114 4.206 -0.232 -8.649 1.00 0.65 H new ATOM 0 HG13 VAL A 114 5.640 -0.148 -9.699 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.907 -2.650 -11.314 1.00 0.56 H new ATOM 0 HG22 VAL A 114 6.547 -2.340 -10.695 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.714 -3.858 -10.286 1.00 0.56 H new ATOM 1962 N LYS A 115 7.617 -3.891 -8.485 1.00 0.35 N ATOM 1963 CA LYS A 115 8.314 -5.146 -8.505 1.00 0.37 C ATOM 1964 C LYS A 115 8.652 -5.596 -7.097 1.00 0.35 C ATOM 1965 O LYS A 115 8.632 -6.785 -6.803 1.00 0.37 O ATOM 1966 CB LYS A 115 9.574 -4.967 -9.333 1.00 0.48 C ATOM 1967 CG LYS A 115 10.445 -6.190 -9.419 1.00 0.84 C ATOM 1968 CD LYS A 115 11.516 -6.010 -10.472 1.00 0.81 C ATOM 1969 CE LYS A 115 10.910 -5.912 -11.864 1.00 1.16 C ATOM 1970 NZ LYS A 115 10.064 -7.093 -12.189 1.00 1.72 N ATOM 0 H LYS A 115 8.131 -3.131 -8.931 1.00 0.35 H new ATOM 0 HA LYS A 115 7.684 -5.918 -8.946 1.00 0.37 H new ATOM 0 HB2 LYS A 115 9.291 -4.667 -10.342 1.00 0.48 H new ATOM 0 HB3 LYS A 115 10.158 -4.150 -8.910 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.908 -6.382 -8.451 1.00 0.84 H new ATOM 0 HG3 LYS A 115 9.835 -7.061 -9.659 1.00 0.84 H new ATOM 0 HD2 LYS A 115 12.091 -5.109 -10.259 1.00 0.81 H new ATOM 0 HD3 LYS A 115 12.211 -6.848 -10.434 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.309 -5.005 -11.935 1.00 1.16 H new ATOM 0 HE3 LYS A 115 11.708 -5.824 -12.601 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 9.712 -7.010 -13.164 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 10.630 -7.961 -12.098 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 9.258 -7.134 -11.533 1.00 1.72 H new ATOM 1984 N GLU A 116 8.966 -4.650 -6.219 1.00 0.36 N ATOM 1985 CA GLU A 116 9.271 -5.005 -4.841 1.00 0.38 C ATOM 1986 C GLU A 116 8.000 -5.310 -4.060 1.00 0.37 C ATOM 1987 O GLU A 116 7.975 -6.253 -3.286 1.00 0.38 O ATOM 1988 CB GLU A 116 10.088 -3.934 -4.118 1.00 0.43 C ATOM 1989 CG GLU A 116 11.450 -3.679 -4.724 1.00 0.80 C ATOM 1990 CD GLU A 116 12.371 -2.957 -3.766 1.00 1.30 C ATOM 1991 OE1 GLU A 116 13.047 -3.639 -2.968 1.00 1.32 O ATOM 1992 OE2 GLU A 116 12.421 -1.709 -3.804 1.00 2.27 O ATOM 0 H GLU A 116 9.015 -3.653 -6.431 1.00 0.36 H new ATOM 0 HA GLU A 116 9.887 -5.903 -4.888 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.523 -3.002 -4.116 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.216 -4.231 -3.077 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.901 -4.628 -5.014 1.00 0.80 H new ATOM 0 HG3 GLU A 116 11.337 -3.088 -5.633 1.00 0.80 H new ATOM 1999 N VAL A 117 6.939 -4.548 -4.272 1.00 0.36 N ATOM 2000 CA VAL A 117 5.685 -4.815 -3.569 1.00 0.38 C ATOM 2001 C VAL A 117 5.097 -6.143 -4.027 1.00 0.38 C ATOM 2002 O VAL A 117 4.362 -6.789 -3.290 1.00 0.43 O ATOM 2003 CB VAL A 117 4.657 -3.666 -3.745 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.315 -2.337 -3.440 1.00 0.81 C ATOM 2005 CG2 VAL A 117 4.041 -3.652 -5.136 1.00 0.78 C ATOM 0 H VAL A 117 6.915 -3.754 -4.911 1.00 0.36 H new ATOM 0 HA VAL A 117 5.912 -4.876 -2.505 1.00 0.38 H new ATOM 0 HB VAL A 117 3.843 -3.838 -3.040 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.589 -1.534 -3.565 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.680 -2.339 -2.413 1.00 0.81 H new ATOM 0 HG13 VAL A 117 6.151 -2.180 -4.122 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.328 -2.830 -5.210 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.826 -3.520 -5.880 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.526 -4.596 -5.316 1.00 0.78 H new ATOM 2009 N LEU A 118 5.452 -6.559 -5.232 1.00 0.36 N ATOM 2010 CA LEU A 118 5.108 -7.894 -5.706 1.00 0.36 C ATOM 2011 C LEU A 118 6.124 -8.924 -5.230 1.00 0.36 C ATOM 2012 O LEU A 118 5.751 -10.036 -4.875 1.00 0.38 O ATOM 2013 CB LEU A 118 5.011 -7.922 -7.227 1.00 0.41 C ATOM 2014 CG LEU A 118 3.725 -7.344 -7.807 1.00 0.49 C ATOM 2015 CD1 LEU A 118 3.916 -7.047 -9.274 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.568 -8.312 -7.624 1.00 0.88 C ATOM 0 H LEU A 118 5.977 -5.995 -5.900 1.00 0.36 H new ATOM 0 HA LEU A 118 4.134 -8.150 -5.288 1.00 0.36 H new ATOM 0 HB2 LEU A 118 5.856 -7.371 -7.639 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.110 -8.954 -7.562 1.00 0.41 H new ATOM 0 HG LEU A 118 3.490 -6.421 -7.276 1.00 0.49 H new ATOM 0 HD11 LEU A 118 2.995 -6.634 -9.685 1.00 1.21 H new ATOM 0 HD12 LEU A 118 4.723 -6.325 -9.397 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.168 -7.967 -9.802 1.00 1.21 H new ATOM 0 HD21 LEU A 118 1.661 -7.879 -8.045 1.00 0.88 H new ATOM 0 HD22 LEU A 118 2.793 -9.249 -8.134 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.419 -8.504 -6.561 1.00 0.88 H new ATOM 2028 N LYS A 119 7.401 -8.544 -5.203 1.00 0.36 N ATOM 2029 CA LYS A 119 8.454 -9.407 -4.698 1.00 0.37 C ATOM 2030 C LYS A 119 8.098 -9.814 -3.288 1.00 0.36 C ATOM 2031 O LYS A 119 8.213 -10.976 -2.897 1.00 0.38 O ATOM 2032 CB LYS A 119 9.787 -8.651 -4.711 1.00 0.39 C ATOM 2033 CG LYS A 119 10.917 -9.364 -3.999 1.00 0.43 C ATOM 2034 CD LYS A 119 12.209 -8.550 -4.018 1.00 0.67 C ATOM 2035 CE LYS A 119 12.069 -7.233 -3.262 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.326 -6.434 -3.287 1.00 0.95 N ATOM 0 H LYS A 119 7.727 -7.634 -5.529 1.00 0.36 H new ATOM 0 HA LYS A 119 8.553 -10.294 -5.324 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.080 -8.474 -5.746 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.642 -7.674 -4.249 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.628 -9.561 -2.967 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.091 -10.331 -4.472 1.00 0.43 H new ATOM 0 HD2 LYS A 119 13.014 -9.138 -3.576 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.493 -8.346 -5.050 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.260 -6.649 -3.700 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.791 -7.437 -2.228 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.101 -5.429 -3.142 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 13.960 -6.760 -2.529 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.796 -6.555 -4.207 1.00 0.95 H new ATOM 2050 N LEU A 120 7.652 -8.825 -2.543 1.00 0.36 N ATOM 2051 CA LEU A 120 7.149 -9.020 -1.220 1.00 0.37 C ATOM 2052 C LEU A 120 5.819 -9.771 -1.222 1.00 0.36 C ATOM 2053 O LEU A 120 5.697 -10.811 -0.572 1.00 0.38 O ATOM 2054 CB LEU A 120 7.004 -7.660 -0.531 1.00 0.39 C ATOM 2055 CG LEU A 120 8.260 -7.173 0.192 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.378 -6.854 -0.782 1.00 1.06 C ATOM 2057 CD2 LEU A 120 7.946 -5.971 1.068 1.00 0.99 C ATOM 0 H LEU A 120 7.633 -7.853 -2.853 1.00 0.36 H new ATOM 0 HA LEU A 120 7.858 -9.636 -0.668 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.720 -6.918 -1.278 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.187 -7.717 0.188 1.00 0.39 H new ATOM 0 HG LEU A 120 8.606 -7.984 0.833 1.00 0.42 H new ATOM 0 HD11 LEU A 120 10.254 -6.511 -0.231 1.00 1.06 H new ATOM 0 HD12 LEU A 120 9.633 -7.749 -1.349 1.00 1.06 H new ATOM 0 HD13 LEU A 120 9.051 -6.072 -1.467 1.00 1.06 H new ATOM 0 HD21 LEU A 120 8.854 -5.641 1.573 1.00 0.99 H new ATOM 0 HD22 LEU A 120 7.560 -5.161 0.449 1.00 0.99 H new ATOM 0 HD23 LEU A 120 7.198 -6.248 1.811 1.00 0.99 H new ATOM 2069 N TYR A 121 4.825 -9.281 -1.961 1.00 0.35 N ATOM 2070 CA TYR A 121 3.474 -9.799 -1.788 1.00 0.36 C ATOM 2071 C TYR A 121 3.347 -11.243 -2.297 1.00 0.38 C ATOM 2072 O TYR A 121 2.570 -12.033 -1.758 1.00 0.41 O ATOM 2073 CB TYR A 121 2.433 -8.864 -2.425 1.00 0.37 C ATOM 2074 CG TYR A 121 1.050 -9.457 -2.523 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.203 -9.467 -1.428 1.00 0.84 C ATOM 2076 CD2 TYR A 121 0.606 -10.032 -3.708 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -1.054 -10.029 -1.503 1.00 1.13 C ATOM 2078 CE2 TYR A 121 -0.649 -10.604 -3.790 1.00 1.05 C ATOM 2079 CZ TYR A 121 -1.475 -10.599 -2.684 1.00 1.23 C ATOM 2080 OH TYR A 121 -2.717 -11.181 -2.755 1.00 1.54 O ATOM 0 H TYR A 121 4.925 -8.549 -2.664 1.00 0.35 H new ATOM 0 HA TYR A 121 3.267 -9.828 -0.718 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.382 -7.944 -1.842 1.00 0.37 H new ATOM 0 HB3 TYR A 121 2.770 -8.590 -3.424 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.533 -9.027 -0.498 1.00 0.84 H new ATOM 0 HD2 TYR A 121 1.250 -10.032 -4.575 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.704 -10.022 -0.641 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -0.982 -11.053 -4.714 1.00 1.05 H new ATOM 0 HH TYR A 121 -3.377 -10.511 -3.031 1.00 1.54 H new ATOM 2090 N LYS A 122 4.124 -11.587 -3.318 1.00 0.40 N ATOM 2091 CA LYS A 122 4.150 -12.952 -3.843 1.00 0.45 C ATOM 2092 C LYS A 122 4.732 -13.922 -2.816 1.00 0.43 C ATOM 2093 O LYS A 122 4.395 -15.105 -2.804 1.00 0.46 O ATOM 2094 CB LYS A 122 5.001 -13.016 -5.118 1.00 0.52 C ATOM 2095 CG LYS A 122 4.371 -12.369 -6.343 1.00 0.60 C ATOM 2096 CD LYS A 122 3.322 -13.270 -6.975 1.00 1.21 C ATOM 2097 CE LYS A 122 2.839 -12.712 -8.304 1.00 1.27 C ATOM 2098 NZ LYS A 122 1.946 -13.665 -9.015 1.00 1.98 N ATOM 0 H LYS A 122 4.747 -10.939 -3.801 1.00 0.40 H new ATOM 0 HA LYS A 122 3.123 -13.239 -4.067 1.00 0.45 H new ATOM 0 HB2 LYS A 122 5.959 -12.534 -4.923 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.211 -14.061 -5.345 1.00 0.52 H new ATOM 0 HG2 LYS A 122 3.914 -11.421 -6.060 1.00 0.60 H new ATOM 0 HG3 LYS A 122 5.146 -12.143 -7.075 1.00 0.60 H new ATOM 0 HD2 LYS A 122 3.739 -14.266 -7.127 1.00 1.21 H new ATOM 0 HD3 LYS A 122 2.477 -13.379 -6.296 1.00 1.21 H new ATOM 0 HE2 LYS A 122 2.308 -11.776 -8.133 1.00 1.27 H new ATOM 0 HE3 LYS A 122 3.698 -12.481 -8.934 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 1.639 -13.247 -9.916 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 2.460 -14.549 -9.201 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 1.113 -13.866 -8.425 1.00 1.98 H new ATOM 2112 N ALA A 123 5.606 -13.408 -1.962 1.00 0.42 N ATOM 2113 CA ALA A 123 6.352 -14.236 -1.024 1.00 0.43 C ATOM 2114 C ALA A 123 5.595 -14.504 0.274 1.00 0.43 C ATOM 2115 O ALA A 123 6.090 -15.237 1.131 1.00 0.70 O ATOM 2116 CB ALA A 123 7.691 -13.586 -0.716 1.00 0.49 C ATOM 0 H ALA A 123 5.817 -12.412 -1.899 1.00 0.42 H new ATOM 0 HA ALA A 123 6.502 -15.202 -1.506 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.245 -14.209 -0.014 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.264 -13.479 -1.637 1.00 0.49 H new ATOM 0 HB3 ALA A 123 7.525 -12.603 -0.276 1.00 0.49 H new ATOM 2122 N MET A 124 4.412 -13.924 0.444 1.00 0.44 N ATOM 2123 CA MET A 124 3.649 -14.173 1.664 1.00 0.42 C ATOM 2124 C MET A 124 2.975 -15.536 1.607 1.00 0.42 C ATOM 2125 O MET A 124 2.778 -16.087 0.519 1.00 0.42 O ATOM 2126 CB MET A 124 2.605 -13.085 1.910 1.00 0.41 C ATOM 2127 CG MET A 124 3.186 -11.817 2.510 1.00 0.45 C ATOM 2128 SD MET A 124 1.928 -10.714 3.176 1.00 0.50 S ATOM 2129 CE MET A 124 1.017 -10.309 1.694 1.00 0.46 C ATOM 0 H MET A 124 3.969 -13.295 -0.226 1.00 0.44 H new ATOM 0 HA MET A 124 4.354 -14.158 2.495 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.116 -12.841 0.967 1.00 0.41 H new ATOM 0 HB3 MET A 124 1.835 -13.474 2.577 1.00 0.41 H new ATOM 0 HG2 MET A 124 3.884 -12.084 3.303 1.00 0.45 H new ATOM 0 HG3 MET A 124 3.757 -11.289 1.747 1.00 0.45 H new ATOM 0 HE1 MET A 124 0.055 -9.875 1.966 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.585 -9.591 1.103 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.855 -11.214 1.108 1.00 0.46 H new ATOM 2139 N SER A 125 2.634 -16.086 2.763 1.00 0.47 N ATOM 2140 CA SER A 125 1.891 -17.334 2.812 1.00 0.54 C ATOM 2141 C SER A 125 0.492 -17.126 2.236 1.00 0.58 C ATOM 2142 O SER A 125 -0.044 -16.019 2.322 1.00 0.92 O ATOM 2143 CB SER A 125 1.810 -17.852 4.252 1.00 0.62 C ATOM 2144 OG SER A 125 1.149 -19.106 4.321 1.00 1.18 O ATOM 0 H SER A 125 2.859 -15.689 3.675 1.00 0.47 H new ATOM 0 HA SER A 125 2.411 -18.080 2.211 1.00 0.54 H new ATOM 0 HB2 SER A 125 2.816 -17.947 4.662 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.281 -17.127 4.871 1.00 0.62 H new ATOM 0 HG SER A 125 1.116 -19.408 5.253 1.00 1.18 H new ATOM 2150 N ASP A 126 -0.086 -18.161 1.639 1.00 0.44 N ATOM 2151 CA ASP A 126 -1.391 -18.039 0.986 1.00 0.43 C ATOM 2152 C ASP A 126 -2.433 -17.442 1.935 1.00 0.39 C ATOM 2153 O ASP A 126 -3.190 -16.544 1.553 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.865 -19.399 0.455 1.00 0.47 C ATOM 2155 CG ASP A 126 -2.085 -20.422 1.551 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -1.092 -20.969 2.072 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -3.255 -20.693 1.897 1.00 1.81 O ATOM 0 H ASP A 126 0.324 -19.094 1.591 1.00 0.44 H new ATOM 0 HA ASP A 126 -1.276 -17.360 0.141 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -2.794 -19.262 -0.098 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -1.128 -19.784 -0.250 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.441 -17.913 3.177 1.00 0.38 N ATOM 2163 CA ALA A 127 -3.371 -17.418 4.181 1.00 0.37 C ATOM 2164 C ALA A 127 -3.023 -15.991 4.591 1.00 0.33 C ATOM 2165 O ALA A 127 -3.906 -15.174 4.862 1.00 0.34 O ATOM 2166 CB ALA A 127 -3.369 -18.334 5.393 1.00 0.42 C ATOM 0 H ALA A 127 -1.810 -18.641 3.512 1.00 0.38 H new ATOM 0 HA ALA A 127 -4.371 -17.410 3.747 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -4.068 -17.954 6.138 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.670 -19.337 5.091 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -2.367 -18.369 5.821 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.731 -15.694 4.619 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.273 -14.373 4.996 1.00 0.31 C ATOM 2174 C GLY A 128 -1.660 -13.322 3.977 1.00 0.29 C ATOM 2175 O GLY A 128 -2.159 -12.253 4.336 1.00 0.30 O ATOM 0 H GLY A 128 -0.987 -16.351 4.385 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.693 -14.108 5.966 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.189 -14.385 5.110 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.462 -13.633 2.700 1.00 0.32 N ATOM 2180 CA LYS A 129 -1.779 -12.690 1.637 1.00 0.39 C ATOM 2181 C LYS A 129 -3.290 -12.606 1.430 1.00 0.35 C ATOM 2182 O LYS A 129 -3.804 -11.600 0.942 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.051 -13.059 0.336 1.00 0.56 C ATOM 2184 CG LYS A 129 -1.323 -14.467 -0.159 1.00 0.58 C ATOM 2185 CD LYS A 129 -0.337 -14.880 -1.247 1.00 0.59 C ATOM 2186 CE LYS A 129 -0.472 -14.031 -2.503 1.00 0.94 C ATOM 2187 NZ LYS A 129 -1.798 -14.208 -3.158 1.00 1.32 N ATOM 0 H LYS A 129 -1.086 -14.525 2.379 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.426 -11.703 1.936 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -1.341 -12.352 -0.441 1.00 0.56 H new ATOM 0 HB3 LYS A 129 0.022 -12.942 0.489 1.00 0.56 H new ATOM 0 HG2 LYS A 129 -1.259 -15.165 0.675 1.00 0.58 H new ATOM 0 HG3 LYS A 129 -2.340 -14.527 -0.547 1.00 0.58 H new ATOM 0 HD2 LYS A 129 0.680 -14.797 -0.863 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.498 -15.928 -1.501 1.00 0.59 H new ATOM 0 HE2 LYS A 129 -0.332 -12.981 -2.247 1.00 0.94 H new ATOM 0 HE3 LYS A 129 0.318 -14.296 -3.206 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 -1.661 -14.487 -4.151 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 -2.334 -14.948 -2.662 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 -2.326 -13.313 -3.120 1.00 1.32 H new ATOM 2201 N ALA A 130 -3.994 -13.675 1.802 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.453 -13.678 1.815 1.00 0.37 C ATOM 2203 C ALA A 130 -5.977 -12.641 2.786 1.00 0.33 C ATOM 2204 O ALA A 130 -6.890 -11.877 2.480 1.00 0.38 O ATOM 2205 CB ALA A 130 -5.976 -15.045 2.225 1.00 0.42 C ATOM 0 H ALA A 130 -3.572 -14.555 2.100 1.00 0.35 H new ATOM 0 HA ALA A 130 -5.799 -13.441 0.809 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.066 -15.031 2.230 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -5.626 -15.796 1.517 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.612 -15.290 3.223 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.371 -12.623 3.960 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.786 -11.739 5.030 1.00 0.29 C ATOM 2213 C ASP A 131 -5.392 -10.307 4.694 1.00 0.27 C ATOM 2214 O ASP A 131 -6.059 -9.349 5.087 1.00 0.30 O ATOM 2215 CB ASP A 131 -5.149 -12.221 6.330 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.551 -11.416 7.548 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.770 -11.216 7.750 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.660 -10.936 8.276 1.00 0.45 O ATOM 0 H ASP A 131 -4.579 -13.220 4.196 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.869 -11.755 5.151 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -5.421 -13.264 6.491 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -4.065 -12.186 6.226 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.315 -10.179 3.924 1.00 0.24 N ATOM 2224 CA PHE A 132 -3.903 -8.902 3.356 1.00 0.22 C ATOM 2225 C PHE A 132 -4.995 -8.390 2.422 1.00 0.23 C ATOM 2226 O PHE A 132 -5.200 -7.186 2.284 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.582 -9.091 2.595 1.00 0.23 C ATOM 2228 CG PHE A 132 -1.929 -7.824 2.106 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -2.381 -7.203 0.953 1.00 0.26 C ATOM 2230 CD2 PHE A 132 -0.887 -7.239 2.812 1.00 0.33 C ATOM 2231 CE1 PHE A 132 -1.805 -6.030 0.508 1.00 0.30 C ATOM 2232 CE2 PHE A 132 -0.308 -6.064 2.372 1.00 0.39 C ATOM 2233 CZ PHE A 132 -0.686 -5.512 1.190 1.00 0.36 C ATOM 0 H PHE A 132 -3.705 -10.958 3.677 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.750 -8.169 4.148 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -1.880 -9.614 3.245 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.766 -9.739 1.738 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -3.195 -7.642 0.395 1.00 0.26 H new ATOM 0 HD2 PHE A 132 -0.525 -7.707 3.715 1.00 0.33 H new ATOM 0 HE1 PHE A 132 -2.207 -5.516 -0.352 1.00 0.30 H new ATOM 0 HE2 PHE A 132 0.450 -5.582 2.972 1.00 0.39 H new ATOM 0 HZ PHE A 132 -0.133 -4.682 0.776 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.718 -9.323 1.818 1.00 0.22 N ATOM 2244 CA GLY A 133 -6.786 -8.973 0.905 1.00 0.24 C ATOM 2245 C GLY A 133 -8.058 -8.562 1.615 1.00 0.23 C ATOM 2246 O GLY A 133 -9.013 -8.132 0.977 1.00 0.27 O ATOM 0 H GLY A 133 -5.581 -10.326 1.946 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.455 -8.157 0.262 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -6.996 -9.824 0.257 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.090 -8.712 2.930 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.216 -8.258 3.709 1.00 0.29 C ATOM 2252 C LYS A 134 -9.012 -6.812 4.131 1.00 0.30 C ATOM 2253 O LYS A 134 -9.935 -6.001 4.101 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.364 -9.132 4.940 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.622 -10.595 4.628 1.00 0.63 C ATOM 2256 CD LYS A 134 -9.812 -11.404 5.899 1.00 1.29 C ATOM 2257 CE LYS A 134 -10.961 -10.867 6.735 1.00 1.61 C ATOM 2258 NZ LYS A 134 -12.258 -10.919 6.009 1.00 2.43 N ATOM 0 H LYS A 134 -7.345 -9.146 3.475 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.119 -8.325 3.102 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.458 -9.053 5.541 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.184 -8.750 5.548 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -10.509 -10.685 4.001 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -8.786 -11.000 4.058 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -10.003 -12.446 5.643 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -8.893 -11.383 6.485 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -11.039 -11.445 7.656 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -10.749 -9.837 7.022 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -13.032 -10.688 6.664 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -12.247 -10.231 5.229 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -12.403 -11.875 5.625 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.788 -6.509 4.514 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.434 -5.185 5.001 1.00 0.31 C ATOM 2274 C GLN A 135 -7.083 -4.264 3.840 1.00 0.30 C ATOM 2275 O GLN A 135 -7.303 -3.058 3.908 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.276 -5.293 5.994 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.486 -6.400 7.022 1.00 0.51 C ATOM 2278 CD GLN A 135 -7.851 -6.353 7.694 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -8.420 -5.168 7.840 1.00 1.83 O flip ATOM 2280 NE2 GLN A 135 -8.393 -7.387 8.081 1.00 0.75 N flip ATOM 0 H GLN A 135 -7.011 -7.169 4.498 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.291 -4.752 5.517 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.351 -5.479 5.449 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -6.155 -4.341 6.511 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -6.363 -7.367 6.534 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -5.711 -6.328 7.785 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -7.927 -8.285 7.953 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.308 -7.346 8.530 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.551 -4.837 2.771 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.313 -4.088 1.546 1.00 0.26 C ATOM 2291 C PHE A 136 -6.820 -4.865 0.333 1.00 0.23 C ATOM 2292 O PHE A 136 -6.034 -5.356 -0.483 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.827 -3.743 1.393 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.385 -2.642 2.313 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.708 -1.320 2.056 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.625 -2.936 3.436 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.288 -0.317 2.900 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.200 -1.933 4.282 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.602 -0.598 4.018 1.00 0.58 C ATOM 0 H PHE A 136 -6.276 -5.818 2.727 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.868 -3.152 1.607 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.230 -4.634 1.588 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.632 -3.448 0.362 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.296 -1.073 1.184 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.363 -3.962 3.650 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -4.514 0.711 2.659 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.572 -2.160 5.131 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.356 0.189 4.715 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.159 -4.970 0.193 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.791 -5.716 -0.901 1.00 0.30 C ATOM 2311 C PRO A 137 -8.473 -5.116 -2.260 1.00 0.29 C ATOM 2312 O PRO A 137 -8.463 -5.815 -3.275 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.295 -5.597 -0.615 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.394 -5.180 0.813 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.162 -4.371 1.091 1.00 0.34 C ATOM 0 HA PRO A 137 -8.435 -6.745 -0.940 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.763 -4.864 -1.272 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.803 -6.546 -0.783 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.295 -4.592 0.987 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.448 -6.048 1.471 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -9.317 -3.314 0.875 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -8.861 -4.442 2.136 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.211 -3.815 -2.270 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.913 -3.097 -3.499 1.00 0.36 C ATOM 2325 C PHE A 138 -6.590 -3.576 -4.087 1.00 0.35 C ATOM 2326 O PHE A 138 -6.460 -3.736 -5.301 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.846 -1.595 -3.221 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.911 -0.733 -4.451 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -6.775 -0.471 -5.202 1.00 1.56 C ATOM 2330 CD2 PHE A 138 -9.116 -0.179 -4.851 1.00 1.21 C ATOM 2331 CE1 PHE A 138 -6.841 0.327 -6.326 1.00 2.23 C ATOM 2332 CE2 PHE A 138 -9.187 0.621 -5.973 1.00 1.88 C ATOM 2333 CZ PHE A 138 -8.050 0.873 -6.712 1.00 2.31 C ATOM 0 H PHE A 138 -8.199 -3.233 -1.432 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.707 -3.293 -4.220 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.667 -1.323 -2.558 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -6.921 -1.377 -2.688 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -5.828 -0.896 -4.904 1.00 1.56 H new ATOM 0 HD2 PHE A 138 -10.010 -0.376 -4.278 1.00 1.21 H new ATOM 0 HE1 PHE A 138 -5.949 0.524 -6.903 1.00 2.23 H new ATOM 0 HE2 PHE A 138 -10.132 1.049 -6.272 1.00 1.88 H new ATOM 0 HZ PHE A 138 -8.105 1.497 -7.592 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.621 -3.822 -3.218 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.288 -4.206 -3.657 1.00 0.36 C ATOM 2345 C LEU A 139 -4.222 -5.698 -3.940 1.00 0.33 C ATOM 2346 O LEU A 139 -3.650 -6.111 -4.948 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.240 -3.809 -2.617 1.00 0.40 C ATOM 2348 CG LEU A 139 -3.225 -2.326 -2.249 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -2.116 -2.034 -1.252 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -3.062 -1.473 -3.497 1.00 0.86 C ATOM 0 H LEU A 139 -5.733 -3.763 -2.206 1.00 0.35 H new ATOM 0 HA LEU A 139 -4.070 -3.673 -4.583 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.410 -4.391 -1.711 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.255 -4.085 -2.993 1.00 0.40 H new ATOM 0 HG LEU A 139 -4.178 -2.076 -1.782 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -2.121 -0.973 -1.002 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.276 -2.621 -0.347 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -1.154 -2.299 -1.690 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -3.053 -0.419 -3.219 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -2.124 -1.726 -3.991 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -3.892 -1.662 -4.178 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.833 -6.504 -3.076 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.872 -7.948 -3.296 1.00 0.28 C ATOM 2364 C ALA A 140 -5.550 -8.241 -4.631 1.00 0.28 C ATOM 2365 O ALA A 140 -5.177 -9.172 -5.342 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.584 -8.655 -2.153 1.00 0.25 C ATOM 0 H ALA A 140 -5.302 -6.188 -2.227 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.852 -8.330 -3.327 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.599 -9.728 -2.342 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.057 -8.458 -1.219 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.607 -8.286 -2.078 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.530 -7.407 -4.962 1.00 0.26 N ATOM 2373 CA LYS A 141 -7.175 -7.413 -6.267 1.00 0.27 C ATOM 2374 C LYS A 141 -6.153 -7.374 -7.400 1.00 0.29 C ATOM 2375 O LYS A 141 -5.888 -8.383 -8.054 1.00 0.30 O ATOM 2376 CB LYS A 141 -8.092 -6.190 -6.386 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.884 -6.139 -7.686 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.843 -7.314 -7.804 1.00 1.15 C ATOM 2379 CE LYS A 141 -10.637 -7.266 -9.101 1.00 1.76 C ATOM 2380 NZ LYS A 141 -9.759 -7.371 -10.299 1.00 2.58 N ATOM 0 H LYS A 141 -6.901 -6.702 -4.325 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.749 -8.336 -6.352 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.788 -6.187 -5.547 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.489 -5.286 -6.303 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -9.444 -5.205 -7.735 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -8.197 -6.143 -8.532 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -9.282 -8.247 -7.755 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -10.529 -7.310 -6.957 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -11.363 -8.079 -9.112 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -11.201 -6.334 -9.146 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -10.343 -7.538 -11.143 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -9.225 -6.486 -10.417 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -9.095 -8.162 -10.175 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.578 -6.194 -7.621 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.707 -5.952 -8.762 1.00 0.36 C ATOM 2396 C VAL A 142 -3.439 -6.803 -8.724 1.00 0.37 C ATOM 2397 O VAL A 142 -2.870 -7.120 -9.773 1.00 0.44 O ATOM 2398 CB VAL A 142 -4.332 -4.459 -8.871 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -5.512 -3.581 -8.506 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -3.136 -4.120 -8.010 1.00 0.48 C ATOM 0 H VAL A 142 -5.704 -5.383 -7.015 1.00 0.31 H new ATOM 0 HA VAL A 142 -5.275 -6.244 -9.645 1.00 0.36 H new ATOM 0 HB VAL A 142 -4.060 -4.266 -9.909 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -5.225 -2.533 -8.590 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -6.341 -3.786 -9.183 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.820 -3.792 -7.482 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.902 -3.060 -8.113 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.364 -4.342 -6.967 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -2.279 -4.713 -8.328 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.997 -7.176 -7.530 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.788 -7.981 -7.410 1.00 0.36 C ATOM 2406 C PHE A 143 -2.033 -9.390 -7.933 1.00 0.40 C ATOM 2407 O PHE A 143 -1.226 -9.928 -8.690 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.279 -8.041 -5.962 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.735 -6.743 -5.418 1.00 0.34 C ATOM 2410 CD1 PHE A 143 -0.364 -5.708 -6.262 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.590 -6.566 -4.051 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.138 -4.525 -5.753 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.088 -5.386 -3.536 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.276 -4.363 -4.389 1.00 0.39 C ATOM 0 H PHE A 143 -3.447 -6.940 -6.646 1.00 0.33 H new ATOM 0 HA PHE A 143 -1.018 -7.500 -8.014 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -2.096 -8.372 -5.320 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.498 -8.798 -5.899 1.00 0.36 H new ATOM 0 HD1 PHE A 143 -0.468 -5.827 -7.330 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -0.874 -7.362 -3.378 1.00 0.58 H new ATOM 0 HE1 PHE A 143 0.422 -3.727 -6.423 1.00 0.47 H new ATOM 0 HE2 PHE A 143 0.019 -5.264 -2.468 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.668 -3.439 -3.990 1.00 0.39 H new ATOM 2424 N GLU A 144 -3.164 -9.975 -7.549 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.488 -11.342 -7.947 1.00 0.45 C ATOM 2426 C GLU A 144 -4.110 -11.380 -9.337 1.00 0.45 C ATOM 2427 O GLU A 144 -4.009 -12.385 -10.044 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.447 -11.984 -6.947 1.00 0.47 C ATOM 2429 CG GLU A 144 -3.908 -12.048 -5.534 1.00 0.60 C ATOM 2430 CD GLU A 144 -4.818 -12.823 -4.609 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -5.918 -12.324 -4.293 1.00 2.58 O ATOM 2432 OE2 GLU A 144 -4.445 -13.945 -4.198 1.00 1.55 O ATOM 0 H GLU A 144 -3.869 -9.526 -6.965 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.555 -11.905 -7.964 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.382 -11.423 -6.944 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -4.682 -12.994 -7.282 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -2.922 -12.513 -5.544 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -3.779 -11.036 -5.150 1.00 0.60 H new ATOM 2439 N SER A 145 -4.763 -10.293 -9.725 1.00 0.43 N ATOM 2440 CA SER A 145 -5.424 -10.217 -11.019 1.00 0.49 C ATOM 2441 C SER A 145 -4.396 -10.125 -12.145 1.00 0.57 C ATOM 2442 O SER A 145 -4.701 -10.402 -13.303 1.00 1.32 O ATOM 2443 CB SER A 145 -6.361 -9.005 -11.051 1.00 0.50 C ATOM 2444 OG SER A 145 -7.233 -9.044 -12.167 1.00 1.29 O ATOM 0 H SER A 145 -4.849 -9.449 -9.159 1.00 0.43 H new ATOM 0 HA SER A 145 -6.010 -11.124 -11.168 1.00 0.49 H new ATOM 0 HB2 SER A 145 -6.947 -8.974 -10.133 1.00 0.50 H new ATOM 0 HB3 SER A 145 -5.770 -8.089 -11.083 1.00 0.50 H new ATOM 0 HG SER A 145 -7.817 -8.257 -12.154 1.00 1.29 H new ATOM 2450 N GLY A 146 -3.178 -9.729 -11.799 1.00 0.79 N ATOM 2451 CA GLY A 146 -2.121 -9.646 -12.786 1.00 0.78 C ATOM 2452 C GLY A 146 -1.847 -8.224 -13.226 1.00 0.70 C ATOM 2453 O GLY A 146 -0.852 -7.957 -13.896 1.00 1.09 O ATOM 0 H GLY A 146 -2.904 -9.464 -10.853 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -1.209 -10.077 -12.373 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -2.392 -10.246 -13.655 1.00 0.78 H new ATOM 2457 N LYS A 147 -2.723 -7.309 -12.830 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.592 -5.904 -13.197 1.00 0.48 C ATOM 2459 C LYS A 147 -1.217 -5.364 -12.797 1.00 0.40 C ATOM 2460 O LYS A 147 -0.524 -4.740 -13.603 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.711 -5.085 -12.542 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.574 -3.581 -12.721 1.00 0.83 C ATOM 2463 CD LYS A 147 -3.509 -3.186 -14.189 1.00 1.15 C ATOM 2464 CE LYS A 147 -3.119 -1.725 -14.360 1.00 1.55 C ATOM 2465 NZ LYS A 147 -3.135 -1.307 -15.790 1.00 1.98 N ATOM 0 H LYS A 147 -3.537 -7.516 -12.251 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.683 -5.816 -14.280 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.668 -5.403 -12.957 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.735 -5.311 -11.476 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -4.419 -3.081 -12.248 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -2.674 -3.236 -12.212 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -2.787 -3.819 -14.705 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -4.478 -3.362 -14.657 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -3.805 -1.098 -13.791 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -2.123 -1.565 -13.946 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -2.263 -0.784 -16.009 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -3.195 -2.149 -16.397 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -3.958 -0.695 -15.964 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.819 -5.632 -11.562 1.00 0.33 N ATOM 2480 CA ALA A 148 0.486 -5.208 -11.073 1.00 0.29 C ATOM 2481 C ALA A 148 1.591 -6.085 -11.643 1.00 0.31 C ATOM 2482 O ALA A 148 2.621 -5.589 -12.091 1.00 0.34 O ATOM 2483 CB ALA A 148 0.522 -5.248 -9.554 1.00 0.33 C ATOM 0 H ALA A 148 -1.381 -6.141 -10.880 1.00 0.33 H new ATOM 0 HA ALA A 148 0.653 -4.183 -11.404 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.504 -4.928 -9.205 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.241 -4.580 -9.154 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.329 -6.265 -9.212 1.00 0.33 H new ATOM 2489 N ALA A 149 1.354 -7.392 -11.629 1.00 0.35 N ATOM 2490 CA ALA A 149 2.349 -8.372 -12.055 1.00 0.41 C ATOM 2491 C ALA A 149 2.847 -8.123 -13.477 1.00 0.43 C ATOM 2492 O ALA A 149 4.037 -8.255 -13.759 1.00 0.51 O ATOM 2493 CB ALA A 149 1.767 -9.767 -11.941 1.00 0.48 C ATOM 0 H ALA A 149 0.471 -7.802 -11.324 1.00 0.35 H new ATOM 0 HA ALA A 149 3.212 -8.272 -11.397 1.00 0.41 H new ATOM 0 HB1 ALA A 149 2.510 -10.498 -12.259 1.00 0.48 H new ATOM 0 HB2 ALA A 149 1.487 -9.961 -10.906 1.00 0.48 H new ATOM 0 HB3 ALA A 149 0.885 -9.846 -12.576 1.00 0.48 H new ATOM 2499 N LYS A 150 1.939 -7.751 -14.368 1.00 0.41 N ATOM 2500 CA LYS A 150 2.292 -7.538 -15.767 1.00 0.46 C ATOM 2501 C LYS A 150 2.864 -6.135 -15.978 1.00 0.45 C ATOM 2502 O LYS A 150 3.505 -5.859 -16.993 1.00 0.59 O ATOM 2503 CB LYS A 150 1.081 -7.784 -16.674 1.00 0.53 C ATOM 2504 CG LYS A 150 0.797 -9.263 -16.947 1.00 1.16 C ATOM 2505 CD LYS A 150 0.480 -10.036 -15.673 1.00 1.45 C ATOM 2506 CE LYS A 150 0.214 -11.508 -15.949 1.00 1.96 C ATOM 2507 NZ LYS A 150 1.396 -12.189 -16.537 1.00 2.82 N ATOM 0 H LYS A 150 0.956 -7.591 -14.150 1.00 0.41 H new ATOM 0 HA LYS A 150 3.066 -8.256 -16.037 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.200 -7.334 -16.216 1.00 0.53 H new ATOM 0 HB3 LYS A 150 1.242 -7.274 -17.624 1.00 0.53 H new ATOM 0 HG2 LYS A 150 -0.041 -9.348 -17.639 1.00 1.16 H new ATOM 0 HG3 LYS A 150 1.661 -9.712 -17.436 1.00 1.16 H new ATOM 0 HD2 LYS A 150 1.313 -9.943 -14.976 1.00 1.45 H new ATOM 0 HD3 LYS A 150 -0.391 -9.595 -15.189 1.00 1.45 H new ATOM 0 HE2 LYS A 150 -0.066 -12.006 -15.020 1.00 1.96 H new ATOM 0 HE3 LYS A 150 -0.633 -11.602 -16.629 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 1.247 -13.218 -16.521 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 1.526 -11.873 -17.519 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 2.244 -11.953 -15.983 1.00 2.82 H new ATOM 2521 N PHE A 151 2.637 -5.259 -15.006 1.00 0.35 N ATOM 2522 CA PHE A 151 3.250 -3.935 -14.994 1.00 0.36 C ATOM 2523 C PHE A 151 4.689 -4.047 -14.510 1.00 0.40 C ATOM 2524 O PHE A 151 5.576 -3.335 -14.981 1.00 0.46 O ATOM 2525 CB PHE A 151 2.456 -2.978 -14.097 1.00 0.34 C ATOM 2526 CG PHE A 151 2.961 -1.563 -14.136 1.00 0.33 C ATOM 2527 CD1 PHE A 151 2.911 -0.826 -15.308 1.00 0.46 C ATOM 2528 CD2 PHE A 151 3.477 -0.965 -12.997 1.00 0.43 C ATOM 2529 CE1 PHE A 151 3.366 0.480 -15.344 1.00 0.49 C ATOM 2530 CE2 PHE A 151 3.937 0.339 -13.029 1.00 0.44 C ATOM 2531 CZ PHE A 151 3.909 1.051 -14.214 1.00 0.39 C ATOM 0 H PHE A 151 2.028 -5.444 -14.209 1.00 0.35 H new ATOM 0 HA PHE A 151 3.242 -3.531 -16.006 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.410 -2.991 -14.402 1.00 0.34 H new ATOM 0 HB3 PHE A 151 2.493 -3.341 -13.070 1.00 0.34 H new ATOM 0 HD1 PHE A 151 2.512 -1.277 -16.205 1.00 0.46 H new ATOM 0 HD2 PHE A 151 3.520 -1.524 -12.074 1.00 0.43 H new ATOM 0 HE1 PHE A 151 3.296 1.052 -16.258 1.00 0.49 H new ATOM 0 HE2 PHE A 151 4.318 0.800 -12.130 1.00 0.44 H new ATOM 0 HZ PHE A 151 4.312 2.052 -14.254 1.00 0.39 H new ATOM 2541 N ALA A 152 4.913 -4.960 -13.581 1.00 0.39 N ATOM 2542 CA ALA A 152 6.248 -5.235 -13.077 1.00 0.44 C ATOM 2543 C ALA A 152 7.038 -6.087 -14.063 1.00 0.52 C ATOM 2544 O ALA A 152 8.268 -6.020 -14.098 1.00 0.59 O ATOM 2545 CB ALA A 152 6.162 -5.941 -11.736 1.00 0.44 C ATOM 0 H ALA A 152 4.180 -5.529 -13.157 1.00 0.39 H new ATOM 0 HA ALA A 152 6.768 -4.285 -12.951 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.167 -6.143 -11.366 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.634 -5.307 -11.024 1.00 0.44 H new ATOM 0 HB3 ALA A 152 5.623 -6.881 -11.854 1.00 0.44 H new ATOM 2551 N GLY A 153 6.332 -6.883 -14.860 1.00 0.65 N ATOM 2552 CA GLY A 153 6.989 -7.743 -15.829 1.00 0.84 C ATOM 2553 C GLY A 153 7.908 -8.747 -15.164 1.00 1.06 C ATOM 2554 O GLY A 153 9.134 -8.586 -15.180 1.00 1.62 O ATOM 0 H GLY A 153 5.314 -6.948 -14.852 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.236 -8.272 -16.414 1.00 0.84 H new ATOM 0 HA3 GLY A 153 7.563 -7.132 -16.526 1.00 0.84 H new ATOM 2558 N GLU A 154 7.326 -9.779 -14.569 1.00 0.99 N ATOM 2559 CA GLU A 154 8.107 -10.748 -13.816 1.00 1.35 C ATOM 2560 C GLU A 154 7.388 -12.081 -13.649 1.00 1.52 C ATOM 2561 O GLU A 154 7.850 -12.944 -12.902 1.00 2.33 O ATOM 2562 CB GLU A 154 8.437 -10.177 -12.441 1.00 1.95 C ATOM 2563 CG GLU A 154 7.238 -9.605 -11.713 1.00 2.50 C ATOM 2564 CD GLU A 154 7.619 -9.014 -10.384 1.00 3.37 C ATOM 2565 OE1 GLU A 154 8.235 -7.931 -10.378 1.00 4.12 O ATOM 2566 OE2 GLU A 154 7.319 -9.634 -9.344 1.00 3.70 O ATOM 0 H GLU A 154 6.323 -9.965 -14.593 1.00 0.99 H new ATOM 0 HA GLU A 154 9.018 -10.939 -14.383 1.00 1.35 H new ATOM 0 HB2 GLU A 154 8.881 -10.962 -11.829 1.00 1.95 H new ATOM 0 HB3 GLU A 154 9.189 -9.396 -12.553 1.00 1.95 H new ATOM 0 HG2 GLU A 154 6.770 -8.838 -12.331 1.00 2.50 H new ATOM 0 HG3 GLU A 154 6.496 -10.390 -11.562 1.00 2.50 H new ATOM 2573 N ASN A 155 6.276 -12.255 -14.349 1.00 1.82 N ATOM 2574 CA ASN A 155 5.439 -13.444 -14.199 1.00 2.70 C ATOM 2575 C ASN A 155 4.207 -13.315 -15.085 1.00 3.48 C ATOM 2576 O ASN A 155 3.960 -14.229 -15.898 1.00 3.96 O ATOM 2577 CB ASN A 155 5.025 -13.705 -12.733 1.00 2.84 C ATOM 2578 CG ASN A 155 4.108 -12.648 -12.140 1.00 3.21 C ATOM 2579 OD1 ASN A 155 2.886 -12.723 -12.268 1.00 3.95 O ATOM 2580 ND2 ASN A 155 4.686 -11.686 -11.439 1.00 3.15 N ATOM 2581 OXT ASN A 155 3.522 -12.279 -15.011 1.00 4.01 O ATOM 0 H ASN A 155 5.928 -11.583 -15.033 1.00 1.82 H new ATOM 0 HA ASN A 155 6.033 -14.303 -14.510 1.00 2.70 H new ATOM 0 HB2 ASN A 155 4.527 -14.673 -12.676 1.00 2.84 H new ATOM 0 HB3 ASN A 155 5.925 -13.772 -12.121 1.00 2.84 H new ATOM 0 HD21 ASN A 155 4.115 -10.974 -10.983 1.00 3.15 H new ATOM 0 HD22 ASN A 155 5.702 -11.656 -11.355 1.00 3.15 H new TER 2588 ASN A 155