USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 993 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 11 MET CE :methyl 170:sc= -0.329 (180deg=-0.548) USER MOD Set 1.2: A 19 THR OG1 : rot 80:sc= 0.225 USER MOD Set 2.1: A 8 HIS : no HE2:sc= 0.311 K(o=0.31,f=-4.1!) USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.218 (180deg=-0.166!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0098 X(o=-0.0098,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.676 K(o=-0.68,f=0.019) USER MOD Single : A 6 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0746 X(o=-0.075,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= 0.834 K(o=0.83,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.32) USER MOD Single : A 17 THR OG1 : rot 84:sc= 1.02 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= 1.23 (180deg=-0.346) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0741 K(o=-0.074,f=-2.1) USER MOD Single : A 44 SER OG : rot 84:sc= 0.685 USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -2.12 (180deg=-3.38!) USER MOD Single : A 52 CYS SG : rot 52:sc= -0.995 USER MOD Single : A 62 THR OG1 : rot 82:sc= 0.709 USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= -0.0277 (180deg=-0.154) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 83:sc= 0.366 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.992 USER MOD Single : A 78 SER OG : rot 160:sc=-0.00128 USER MOD Single : A 79 ASN : amide:sc= 0.342 K(o=0.34,f=-7.4!) USER MOD Single : A 87 CYS SG : rot 169:sc= 0.0708 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.66) USER MOD Single : A 105 GLN : amide:sc= 0.5 K(o=0.5,f=-0.013) USER MOD Single : A 106 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 108 ASN : amide:sc= -1.38 K(o=-1.4,f=-14!) USER MOD Single : A 109 LYS NZ :NH3+ -162:sc= 0.482 (180deg=0.364) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 81:sc= 0.577 USER MOD Single : A 116 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 118 ASN : amide:sc= 0.886 K(o=0.89,f=-0.019) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -82:sc= 0.861 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.132 27.781 -25.965 1.00 63.23 N ATOM 2 CA MET A 1 13.326 26.660 -25.403 1.00 64.22 C ATOM 3 C MET A 1 11.859 26.756 -25.849 1.00 40.44 C ATOM 4 O MET A 1 11.073 27.520 -25.285 1.00 22.11 O ATOM 5 CB MET A 1 13.419 26.656 -23.870 1.00 20.54 C ATOM 6 CG MET A 1 14.825 26.391 -23.349 1.00 33.31 C ATOM 7 SD MET A 1 16.031 27.580 -23.973 1.00 31.12 S ATOM 8 CE MET A 1 17.544 26.955 -23.243 1.00 5.33 C ATOM 0 H1 MET A 1 14.984 27.921 -25.385 1.00 63.23 H new ATOM 0 H2 MET A 1 14.411 27.553 -26.941 1.00 63.23 H new ATOM 0 H3 MET A 1 13.564 28.652 -25.962 1.00 63.23 H new ATOM 0 HA MET A 1 13.734 25.724 -25.784 1.00 64.22 H new ATOM 0 HB2 MET A 1 13.074 27.618 -23.490 1.00 20.54 H new ATOM 0 HB3 MET A 1 12.744 25.897 -23.475 1.00 20.54 H new ATOM 0 HG2 MET A 1 14.817 26.424 -22.260 1.00 33.31 H new ATOM 0 HG3 MET A 1 15.131 25.385 -23.635 1.00 33.31 H new ATOM 0 HE1 MET A 1 18.380 27.589 -23.539 1.00 5.33 H new ATOM 0 HE2 MET A 1 17.453 26.959 -22.157 1.00 5.33 H new ATOM 0 HE3 MET A 1 17.721 25.936 -23.588 1.00 5.33 H new ATOM 20 N GLY A 2 11.498 25.984 -26.870 1.00 4.42 N ATOM 21 CA GLY A 2 10.147 26.039 -27.418 1.00 44.34 C ATOM 22 C GLY A 2 9.154 25.130 -26.700 1.00 32.12 C ATOM 23 O GLY A 2 8.871 24.023 -27.160 1.00 11.03 O ATOM 0 H GLY A 2 12.117 25.318 -27.332 1.00 4.42 H new ATOM 0 HA2 GLY A 2 9.786 27.066 -27.368 1.00 44.34 H new ATOM 0 HA3 GLY A 2 10.181 25.764 -28.472 1.00 44.34 H new ATOM 27 N HIS A 3 8.619 25.596 -25.570 1.00 1.31 N ATOM 28 CA HIS A 3 7.573 24.857 -24.855 1.00 43.04 C ATOM 29 C HIS A 3 6.262 24.857 -25.658 1.00 55.42 C ATOM 30 O HIS A 3 5.682 25.912 -25.917 1.00 30.42 O ATOM 31 CB HIS A 3 7.321 25.465 -23.469 1.00 53.13 C ATOM 32 CG HIS A 3 8.437 25.255 -22.489 1.00 20.43 C ATOM 33 ND1 HIS A 3 9.266 26.267 -22.056 1.00 52.01 N ATOM 34 CD2 HIS A 3 8.837 24.143 -21.831 1.00 40.03 C ATOM 35 CE1 HIS A 3 10.123 25.787 -21.179 1.00 73.15 C ATOM 36 NE2 HIS A 3 9.886 24.502 -21.023 1.00 25.13 N ATOM 0 H HIS A 3 8.890 26.476 -25.131 1.00 1.31 H new ATOM 0 HA HIS A 3 7.919 23.831 -24.734 1.00 43.04 H new ATOM 0 HB2 HIS A 3 7.148 26.535 -23.581 1.00 53.13 H new ATOM 0 HB3 HIS A 3 6.407 25.036 -23.058 1.00 53.13 H new ATOM 0 HD2 HIS A 3 8.410 23.156 -21.924 1.00 40.03 H new ATOM 0 HE1 HIS A 3 10.891 26.353 -20.673 1.00 73.15 H new ATOM 0 HE2 HIS A 3 10.399 23.875 -20.403 1.00 25.13 H new ATOM 45 N HIS A 4 5.809 23.677 -26.066 1.00 40.40 N ATOM 46 CA HIS A 4 4.546 23.546 -26.794 1.00 13.53 C ATOM 47 C HIS A 4 3.411 23.153 -25.835 1.00 20.01 C ATOM 48 O HIS A 4 3.232 21.979 -25.508 1.00 52.14 O ATOM 49 CB HIS A 4 4.686 22.517 -27.923 1.00 73.13 C ATOM 50 CG HIS A 4 5.775 22.856 -28.898 1.00 72.43 C ATOM 51 ND1 HIS A 4 5.624 23.793 -29.896 1.00 11.51 N ATOM 52 CD2 HIS A 4 7.045 22.394 -29.014 1.00 34.22 C ATOM 53 CE1 HIS A 4 6.744 23.893 -30.581 1.00 20.10 C ATOM 54 NE2 HIS A 4 7.624 23.058 -30.068 1.00 32.33 N ATOM 0 H HIS A 4 6.296 22.795 -25.906 1.00 40.40 H new ATOM 0 HA HIS A 4 4.298 24.510 -27.238 1.00 13.53 H new ATOM 0 HB2 HIS A 4 4.886 21.537 -27.490 1.00 73.13 H new ATOM 0 HB3 HIS A 4 3.739 22.442 -28.457 1.00 73.13 H new ATOM 0 HD2 HIS A 4 7.513 21.644 -28.394 1.00 34.22 H new ATOM 0 HE1 HIS A 4 6.913 24.549 -31.422 1.00 20.10 H new ATOM 0 HE2 HIS A 4 8.580 22.926 -30.399 1.00 32.33 H new ATOM 63 N HIS A 5 2.645 24.150 -25.393 1.00 54.52 N ATOM 64 CA HIS A 5 1.608 23.949 -24.365 1.00 21.40 C ATOM 65 C HIS A 5 0.393 23.153 -24.881 1.00 31.24 C ATOM 66 O HIS A 5 -0.593 22.981 -24.161 1.00 74.03 O ATOM 67 CB HIS A 5 1.158 25.301 -23.788 1.00 40.32 C ATOM 68 CG HIS A 5 0.719 26.293 -24.822 1.00 45.23 C ATOM 69 ND1 HIS A 5 -0.599 26.512 -25.158 1.00 20.32 N ATOM 70 CD2 HIS A 5 1.443 27.135 -25.596 1.00 5.51 C ATOM 71 CE1 HIS A 5 -0.664 27.440 -26.092 1.00 43.11 C ATOM 72 NE2 HIS A 5 0.558 27.835 -26.375 1.00 0.31 N ATOM 0 H HIS A 5 2.719 25.110 -25.728 1.00 54.52 H new ATOM 0 HA HIS A 5 2.061 23.349 -23.576 1.00 21.40 H new ATOM 0 HB2 HIS A 5 0.337 25.131 -23.091 1.00 40.32 H new ATOM 0 HB3 HIS A 5 1.979 25.730 -23.214 1.00 40.32 H new ATOM 0 HD2 HIS A 5 2.518 27.237 -25.599 1.00 5.51 H new ATOM 0 HE1 HIS A 5 -1.569 27.813 -26.548 1.00 43.11 H new ATOM 0 HE2 HIS A 5 0.807 28.546 -27.062 1.00 0.31 H new ATOM 81 N HIS A 6 0.452 22.684 -26.125 1.00 64.23 N ATOM 82 CA HIS A 6 -0.562 21.761 -26.646 1.00 14.35 C ATOM 83 C HIS A 6 -0.292 20.335 -26.142 1.00 32.14 C ATOM 84 O HIS A 6 -1.191 19.660 -25.639 1.00 1.34 O ATOM 85 CB HIS A 6 -0.578 21.788 -28.184 1.00 53.00 C ATOM 86 CG HIS A 6 -1.608 20.885 -28.800 1.00 55.34 C ATOM 87 ND1 HIS A 6 -2.867 21.313 -29.157 1.00 61.42 N ATOM 88 CD2 HIS A 6 -1.557 19.571 -29.131 1.00 24.12 C ATOM 89 CE1 HIS A 6 -3.544 20.310 -29.676 1.00 55.44 C ATOM 90 NE2 HIS A 6 -2.774 19.242 -29.673 1.00 22.11 N ATOM 0 H HIS A 6 1.186 22.924 -26.791 1.00 64.23 H new ATOM 0 HA HIS A 6 -1.539 22.082 -26.285 1.00 14.35 H new ATOM 0 HB2 HIS A 6 -0.760 22.810 -28.517 1.00 53.00 H new ATOM 0 HB3 HIS A 6 0.407 21.503 -28.552 1.00 53.00 H new ATOM 0 HD2 HIS A 6 -0.716 18.908 -28.994 1.00 24.12 H new ATOM 0 HE1 HIS A 6 -4.559 20.356 -30.042 1.00 55.44 H new ATOM 0 HE2 HIS A 6 -3.039 18.319 -30.018 1.00 22.11 H new ATOM 99 N HIS A 7 0.957 19.891 -26.267 1.00 24.40 N ATOM 100 CA HIS A 7 1.353 18.546 -25.832 1.00 20.44 C ATOM 101 C HIS A 7 2.349 18.614 -24.660 1.00 1.04 C ATOM 102 O HIS A 7 3.555 18.742 -24.865 1.00 44.43 O ATOM 103 CB HIS A 7 1.967 17.772 -27.010 1.00 43.54 C ATOM 104 CG HIS A 7 2.325 16.348 -26.690 1.00 51.34 C ATOM 105 ND1 HIS A 7 1.537 15.276 -27.048 1.00 63.21 N ATOM 106 CD2 HIS A 7 3.396 15.820 -26.047 1.00 45.31 C ATOM 107 CE1 HIS A 7 2.102 14.159 -26.639 1.00 61.03 C ATOM 108 NE2 HIS A 7 3.229 14.460 -26.032 1.00 2.53 N ATOM 0 H HIS A 7 1.717 20.442 -26.667 1.00 24.40 H new ATOM 0 HA HIS A 7 0.462 18.022 -25.486 1.00 20.44 H new ATOM 0 HB2 HIS A 7 1.263 17.780 -27.842 1.00 43.54 H new ATOM 0 HB3 HIS A 7 2.863 18.294 -27.346 1.00 43.54 H new ATOM 0 HD2 HIS A 7 4.225 16.369 -25.626 1.00 45.31 H new ATOM 0 HE1 HIS A 7 1.707 13.164 -26.779 1.00 61.03 H new ATOM 0 HE2 HIS A 7 3.875 13.789 -25.617 1.00 2.53 H new ATOM 117 N HIS A 8 1.837 18.541 -23.434 1.00 33.12 N ATOM 118 CA HIS A 8 2.686 18.550 -22.236 1.00 63.00 C ATOM 119 C HIS A 8 2.804 17.138 -21.631 1.00 12.32 C ATOM 120 O HIS A 8 1.942 16.284 -21.851 1.00 22.42 O ATOM 121 CB HIS A 8 2.107 19.525 -21.200 1.00 10.34 C ATOM 122 CG HIS A 8 2.943 19.665 -19.962 1.00 61.52 C ATOM 123 ND1 HIS A 8 2.781 18.871 -18.847 1.00 43.12 N ATOM 124 CD2 HIS A 8 3.958 20.512 -19.667 1.00 3.35 C ATOM 125 CE1 HIS A 8 3.654 19.221 -17.926 1.00 4.43 C ATOM 126 NE2 HIS A 8 4.380 20.213 -18.395 1.00 25.12 N ATOM 0 H HIS A 8 0.838 18.475 -23.239 1.00 33.12 H new ATOM 0 HA HIS A 8 3.686 18.877 -22.522 1.00 63.00 H new ATOM 0 HB2 HIS A 8 1.993 20.505 -21.662 1.00 10.34 H new ATOM 0 HB3 HIS A 8 1.110 19.189 -20.917 1.00 10.34 H new ATOM 0 HD1 HIS A 8 2.091 18.126 -18.750 1.00 43.12 H new ATOM 0 HD2 HIS A 8 4.360 21.279 -20.312 1.00 3.35 H new ATOM 0 HE1 HIS A 8 3.757 18.770 -16.950 1.00 4.43 H new ATOM 135 N SER A 9 3.875 16.896 -20.874 1.00 71.50 N ATOM 136 CA SER A 9 4.076 15.605 -20.198 1.00 53.22 C ATOM 137 C SER A 9 2.995 15.346 -19.136 1.00 11.03 C ATOM 138 O SER A 9 2.345 16.275 -18.651 1.00 3.15 O ATOM 139 CB SER A 9 5.464 15.557 -19.545 1.00 4.11 C ATOM 140 OG SER A 9 5.627 16.612 -18.609 1.00 53.14 O ATOM 0 H SER A 9 4.619 17.574 -20.711 1.00 71.50 H new ATOM 0 HA SER A 9 4.002 14.824 -20.955 1.00 53.22 H new ATOM 0 HB2 SER A 9 5.600 14.599 -19.044 1.00 4.11 H new ATOM 0 HB3 SER A 9 6.233 15.627 -20.314 1.00 4.11 H new ATOM 0 HG SER A 9 6.519 16.557 -18.207 1.00 53.14 H new ATOM 146 N HIS A 10 2.799 14.077 -18.781 1.00 32.14 N ATOM 147 CA HIS A 10 1.782 13.704 -17.786 1.00 22.34 C ATOM 148 C HIS A 10 2.411 12.953 -16.600 1.00 20.24 C ATOM 149 O HIS A 10 3.376 12.203 -16.771 1.00 22.15 O ATOM 150 CB HIS A 10 0.686 12.842 -18.438 1.00 3.40 C ATOM 151 CG HIS A 10 1.092 11.417 -18.707 1.00 5.05 C ATOM 152 ND1 HIS A 10 0.500 10.342 -18.081 1.00 64.35 N ATOM 153 CD2 HIS A 10 2.033 10.890 -19.531 1.00 1.20 C ATOM 154 CE1 HIS A 10 1.054 9.225 -18.499 1.00 14.04 C ATOM 155 NE2 HIS A 10 1.985 9.525 -19.378 1.00 21.35 N ATOM 0 H HIS A 10 3.325 13.291 -19.162 1.00 32.14 H new ATOM 0 HA HIS A 10 1.333 14.622 -17.406 1.00 22.34 H new ATOM 0 HB2 HIS A 10 -0.191 12.841 -17.791 1.00 3.40 H new ATOM 0 HB3 HIS A 10 0.388 13.306 -19.378 1.00 3.40 H new ATOM 0 HD2 HIS A 10 2.695 11.440 -20.184 1.00 1.20 H new ATOM 0 HE1 HIS A 10 0.789 8.229 -18.175 1.00 14.04 H new ATOM 0 HE2 HIS A 10 2.576 8.853 -19.867 1.00 21.35 H new ATOM 164 N MET A 11 1.852 13.150 -15.406 1.00 41.23 N ATOM 165 CA MET A 11 2.348 12.484 -14.193 1.00 32.05 C ATOM 166 C MET A 11 2.278 10.953 -14.327 1.00 33.15 C ATOM 167 O MET A 11 1.221 10.391 -14.618 1.00 62.23 O ATOM 168 CB MET A 11 1.548 12.940 -12.966 1.00 71.24 C ATOM 169 CG MET A 11 1.661 14.432 -12.678 1.00 55.00 C ATOM 170 SD MET A 11 0.678 14.947 -11.251 1.00 53.34 S ATOM 171 CE MET A 11 1.445 14.006 -9.931 1.00 31.54 C ATOM 0 H MET A 11 1.054 13.766 -15.249 1.00 41.23 H new ATOM 0 HA MET A 11 3.393 12.767 -14.063 1.00 32.05 H new ATOM 0 HB2 MET A 11 0.498 12.686 -13.114 1.00 71.24 H new ATOM 0 HB3 MET A 11 1.891 12.384 -12.093 1.00 71.24 H new ATOM 0 HG2 MET A 11 2.707 14.685 -12.504 1.00 55.00 H new ATOM 0 HG3 MET A 11 1.339 14.992 -13.556 1.00 55.00 H new ATOM 0 HE1 MET A 11 1.065 14.351 -8.970 1.00 31.54 H new ATOM 0 HE2 MET A 11 1.212 12.949 -10.055 1.00 31.54 H new ATOM 0 HE3 MET A 11 2.526 14.145 -9.965 1.00 31.54 H new ATOM 181 N ASN A 12 3.409 10.290 -14.109 1.00 62.01 N ATOM 182 CA ASN A 12 3.510 8.836 -14.280 1.00 71.52 C ATOM 183 C ASN A 12 2.726 8.061 -13.203 1.00 5.31 C ATOM 184 O ASN A 12 2.309 8.625 -12.187 1.00 71.51 O ATOM 185 CB ASN A 12 4.981 8.405 -14.269 1.00 45.41 C ATOM 186 CG ASN A 12 5.777 9.059 -15.384 1.00 62.24 C ATOM 187 OD1 ASN A 12 5.821 8.565 -16.504 1.00 24.25 O ATOM 188 ND2 ASN A 12 6.406 10.180 -15.096 1.00 65.41 N ATOM 0 H ASN A 12 4.277 10.736 -13.811 1.00 62.01 H new ATOM 0 HA ASN A 12 3.062 8.594 -15.244 1.00 71.52 H new ATOM 0 HB2 ASN A 12 5.426 8.662 -13.308 1.00 45.41 H new ATOM 0 HB3 ASN A 12 5.041 7.321 -14.369 1.00 45.41 H new ATOM 0 HD21 ASN A 12 6.948 10.660 -15.815 1.00 65.41 H new ATOM 0 HD22 ASN A 12 6.351 10.568 -14.154 1.00 65.41 H new ATOM 195 N SER A 13 2.555 6.755 -13.439 1.00 33.31 N ATOM 196 CA SER A 13 1.796 5.863 -12.540 1.00 61.42 C ATOM 197 C SER A 13 2.219 6.015 -11.072 1.00 32.50 C ATOM 198 O SER A 13 1.389 5.946 -10.164 1.00 50.42 O ATOM 199 CB SER A 13 1.987 4.400 -12.967 1.00 3.33 C ATOM 200 OG SER A 13 1.649 4.213 -14.332 1.00 20.10 O ATOM 0 H SER A 13 2.937 6.282 -14.258 1.00 33.31 H new ATOM 0 HA SER A 13 0.747 6.149 -12.620 1.00 61.42 H new ATOM 0 HB2 SER A 13 3.023 4.103 -12.803 1.00 3.33 H new ATOM 0 HB3 SER A 13 1.368 3.754 -12.345 1.00 3.33 H new ATOM 0 HG SER A 13 1.782 3.273 -14.576 1.00 20.10 H new ATOM 206 N ALA A 14 3.511 6.210 -10.842 1.00 63.30 N ATOM 207 CA ALA A 14 4.032 6.374 -9.483 1.00 62.13 C ATOM 208 C ALA A 14 3.693 7.752 -8.890 1.00 34.12 C ATOM 209 O ALA A 14 3.282 7.852 -7.733 1.00 31.33 O ATOM 210 CB ALA A 14 5.534 6.156 -9.471 1.00 72.44 C ATOM 0 H ALA A 14 4.219 6.259 -11.574 1.00 63.30 H new ATOM 0 HA ALA A 14 3.548 5.624 -8.857 1.00 62.13 H new ATOM 0 HB1 ALA A 14 5.912 6.280 -8.456 1.00 72.44 H new ATOM 0 HB2 ALA A 14 5.758 5.148 -9.821 1.00 72.44 H new ATOM 0 HB3 ALA A 14 6.012 6.883 -10.128 1.00 72.44 H new ATOM 216 N GLU A 15 3.861 8.809 -9.689 1.00 34.24 N ATOM 217 CA GLU A 15 3.635 10.187 -9.220 1.00 23.33 C ATOM 218 C GLU A 15 2.207 10.387 -8.684 1.00 24.13 C ATOM 219 O GLU A 15 2.005 10.985 -7.622 1.00 64.12 O ATOM 220 CB GLU A 15 3.903 11.192 -10.350 1.00 74.13 C ATOM 221 CG GLU A 15 5.361 11.265 -10.791 1.00 41.23 C ATOM 222 CD GLU A 15 5.583 12.299 -11.886 1.00 53.13 C ATOM 223 OE1 GLU A 15 5.745 13.498 -11.563 1.00 2.40 O ATOM 224 OE2 GLU A 15 5.577 11.918 -13.076 1.00 33.33 O ATOM 0 H GLU A 15 4.153 8.741 -10.664 1.00 34.24 H new ATOM 0 HA GLU A 15 4.332 10.362 -8.401 1.00 23.33 H new ATOM 0 HB2 GLU A 15 3.288 10.927 -11.210 1.00 74.13 H new ATOM 0 HB3 GLU A 15 3.584 12.182 -10.023 1.00 74.13 H new ATOM 0 HG2 GLU A 15 5.986 11.509 -9.932 1.00 41.23 H new ATOM 0 HG3 GLU A 15 5.679 10.286 -11.149 1.00 41.23 H new ATOM 231 N GLN A 16 1.217 9.896 -9.431 1.00 22.20 N ATOM 232 CA GLN A 16 -0.185 9.984 -9.008 1.00 11.12 C ATOM 233 C GLN A 16 -0.420 9.209 -7.699 1.00 72.41 C ATOM 234 O GLN A 16 -1.153 9.662 -6.820 1.00 62.31 O ATOM 235 CB GLN A 16 -1.118 9.456 -10.112 1.00 63.23 C ATOM 236 CG GLN A 16 -0.845 8.009 -10.512 1.00 14.50 C ATOM 237 CD GLN A 16 -1.862 7.453 -11.495 1.00 1.21 C ATOM 238 OE1 GLN A 16 -2.440 8.178 -12.296 1.00 60.42 O ATOM 239 NE2 GLN A 16 -2.082 6.156 -11.442 1.00 62.24 N ATOM 0 H GLN A 16 1.357 9.434 -10.330 1.00 22.20 H new ATOM 0 HA GLN A 16 -0.413 11.035 -8.828 1.00 11.12 H new ATOM 0 HB2 GLN A 16 -2.150 9.540 -9.773 1.00 63.23 H new ATOM 0 HB3 GLN A 16 -1.019 10.091 -10.992 1.00 63.23 H new ATOM 0 HG2 GLN A 16 0.150 7.943 -10.953 1.00 14.50 H new ATOM 0 HG3 GLN A 16 -0.838 7.387 -9.617 1.00 14.50 H new ATOM 0 HE21 GLN A 16 -1.583 5.581 -10.763 1.00 62.24 H new ATOM 0 HE22 GLN A 16 -2.751 5.726 -12.080 1.00 62.24 H new ATOM 248 N THR A 17 0.229 8.050 -7.571 1.00 41.35 N ATOM 249 CA THR A 17 0.086 7.200 -6.380 1.00 1.41 C ATOM 250 C THR A 17 0.623 7.892 -5.122 1.00 31.40 C ATOM 251 O THR A 17 -0.044 7.914 -4.088 1.00 61.53 O ATOM 252 CB THR A 17 0.810 5.842 -6.560 1.00 13.04 C ATOM 253 OG1 THR A 17 0.279 5.153 -7.704 1.00 2.35 O ATOM 254 CG2 THR A 17 0.658 4.959 -5.323 1.00 4.42 C ATOM 0 H THR A 17 0.861 7.675 -8.278 1.00 41.35 H new ATOM 0 HA THR A 17 -0.982 7.021 -6.257 1.00 1.41 H new ATOM 0 HB THR A 17 1.870 6.047 -6.707 1.00 13.04 H new ATOM 0 HG1 THR A 17 0.725 5.474 -8.515 1.00 2.35 H new ATOM 0 HG21 THR A 17 1.178 4.015 -5.484 1.00 4.42 H new ATOM 0 HG22 THR A 17 1.087 5.466 -4.459 1.00 4.42 H new ATOM 0 HG23 THR A 17 -0.399 4.765 -5.142 1.00 4.42 H new ATOM 262 N VAL A 18 1.830 8.457 -5.213 1.00 60.20 N ATOM 263 CA VAL A 18 2.417 9.208 -4.093 1.00 22.43 C ATOM 264 C VAL A 18 1.445 10.288 -3.591 1.00 61.03 C ATOM 265 O VAL A 18 1.085 10.325 -2.413 1.00 42.14 O ATOM 266 CB VAL A 18 3.758 9.882 -4.495 1.00 51.14 C ATOM 267 CG1 VAL A 18 4.361 10.647 -3.316 1.00 65.21 C ATOM 268 CG2 VAL A 18 4.748 8.848 -5.030 1.00 31.30 C ATOM 0 H VAL A 18 2.419 8.411 -6.044 1.00 60.20 H new ATOM 0 HA VAL A 18 2.610 8.490 -3.296 1.00 22.43 H new ATOM 0 HB VAL A 18 3.548 10.597 -5.291 1.00 51.14 H new ATOM 0 HG11 VAL A 18 5.299 11.109 -3.624 1.00 65.21 H new ATOM 0 HG12 VAL A 18 3.665 11.420 -2.990 1.00 65.21 H new ATOM 0 HG13 VAL A 18 4.549 9.958 -2.493 1.00 65.21 H new ATOM 0 HG21 VAL A 18 5.679 9.344 -5.305 1.00 31.30 H new ATOM 0 HG22 VAL A 18 4.947 8.103 -4.260 1.00 31.30 H new ATOM 0 HG23 VAL A 18 4.325 8.359 -5.907 1.00 31.30 H new ATOM 278 N THR A 19 1.005 11.146 -4.510 1.00 22.23 N ATOM 279 CA THR A 19 0.047 12.216 -4.192 1.00 64.04 C ATOM 280 C THR A 19 -1.268 11.650 -3.630 1.00 72.32 C ATOM 281 O THR A 19 -1.864 12.211 -2.709 1.00 73.34 O ATOM 282 CB THR A 19 -0.273 13.062 -5.448 1.00 64.31 C ATOM 283 OG1 THR A 19 0.947 13.479 -6.080 1.00 15.21 O ATOM 284 CG2 THR A 19 -1.108 14.292 -5.095 1.00 52.14 C ATOM 0 H THR A 19 1.296 11.124 -5.487 1.00 22.23 H new ATOM 0 HA THR A 19 0.516 12.844 -3.435 1.00 64.04 H new ATOM 0 HB THR A 19 -0.851 12.440 -6.131 1.00 64.31 H new ATOM 0 HG1 THR A 19 1.303 12.743 -6.621 1.00 15.21 H new ATOM 0 HG21 THR A 19 -1.315 14.863 -6.000 1.00 52.14 H new ATOM 0 HG22 THR A 19 -2.048 13.976 -4.643 1.00 52.14 H new ATOM 0 HG23 THR A 19 -0.558 14.915 -4.390 1.00 52.14 H new ATOM 292 N TRP A 20 -1.706 10.530 -4.198 1.00 33.22 N ATOM 293 CA TRP A 20 -2.934 9.852 -3.769 1.00 15.42 C ATOM 294 C TRP A 20 -2.838 9.398 -2.299 1.00 1.21 C ATOM 295 O TRP A 20 -3.777 9.572 -1.520 1.00 54.23 O ATOM 296 CB TRP A 20 -3.193 8.659 -4.699 1.00 33.52 C ATOM 297 CG TRP A 20 -4.459 7.907 -4.417 1.00 62.01 C ATOM 298 CD1 TRP A 20 -5.723 8.418 -4.352 1.00 52.30 C ATOM 299 CD2 TRP A 20 -4.584 6.498 -4.194 1.00 15.02 C ATOM 300 NE1 TRP A 20 -6.622 7.415 -4.088 1.00 71.41 N ATOM 301 CE2 TRP A 20 -5.948 6.228 -3.987 1.00 60.32 C ATOM 302 CE3 TRP A 20 -3.670 5.440 -4.145 1.00 31.01 C ATOM 303 CZ2 TRP A 20 -6.423 4.945 -3.737 1.00 61.11 C ATOM 304 CZ3 TRP A 20 -4.143 4.166 -3.896 1.00 31.42 C ATOM 305 CH2 TRP A 20 -5.508 3.929 -3.695 1.00 40.34 C ATOM 0 H TRP A 20 -1.224 10.065 -4.967 1.00 33.22 H new ATOM 0 HA TRP A 20 -3.770 10.549 -3.832 1.00 15.42 H new ATOM 0 HB2 TRP A 20 -3.221 9.018 -5.728 1.00 33.52 H new ATOM 0 HB3 TRP A 20 -2.353 7.969 -4.625 1.00 33.52 H new ATOM 0 HD1 TRP A 20 -5.978 9.459 -4.488 1.00 52.30 H new ATOM 0 HE1 TRP A 20 -7.630 7.535 -3.984 1.00 71.41 H new ATOM 0 HE3 TRP A 20 -2.616 5.616 -4.299 1.00 31.01 H new ATOM 0 HZ2 TRP A 20 -7.475 4.758 -3.582 1.00 61.11 H new ATOM 0 HZ3 TRP A 20 -3.449 3.340 -3.856 1.00 31.42 H new ATOM 0 HH2 TRP A 20 -5.846 2.922 -3.502 1.00 40.34 H new ATOM 316 N LEU A 21 -1.692 8.834 -1.924 1.00 33.25 N ATOM 317 CA LEU A 21 -1.452 8.412 -0.538 1.00 71.11 C ATOM 318 C LEU A 21 -1.438 9.617 0.424 1.00 52.24 C ATOM 319 O LEU A 21 -1.930 9.536 1.555 1.00 61.35 O ATOM 320 CB LEU A 21 -0.123 7.649 -0.434 1.00 65.35 C ATOM 321 CG LEU A 21 -0.015 6.377 -1.294 1.00 53.55 C ATOM 322 CD1 LEU A 21 1.333 5.695 -1.081 1.00 53.10 C ATOM 323 CD2 LEU A 21 -1.160 5.415 -0.989 1.00 73.12 C ATOM 0 H LEU A 21 -0.912 8.657 -2.558 1.00 33.25 H new ATOM 0 HA LEU A 21 -2.271 7.753 -0.248 1.00 71.11 H new ATOM 0 HB2 LEU A 21 0.685 8.324 -0.714 1.00 65.35 H new ATOM 0 HB3 LEU A 21 0.037 7.375 0.609 1.00 65.35 H new ATOM 0 HG LEU A 21 -0.089 6.670 -2.341 1.00 53.55 H new ATOM 0 HD11 LEU A 21 1.389 4.798 -1.698 1.00 53.10 H new ATOM 0 HD12 LEU A 21 2.135 6.378 -1.361 1.00 53.10 H new ATOM 0 HD13 LEU A 21 1.440 5.421 -0.032 1.00 53.10 H new ATOM 0 HD21 LEU A 21 -1.062 4.524 -1.609 1.00 73.12 H new ATOM 0 HD22 LEU A 21 -1.126 5.131 0.063 1.00 73.12 H new ATOM 0 HD23 LEU A 21 -2.111 5.902 -1.202 1.00 73.12 H new ATOM 335 N ILE A 22 -0.875 10.735 -0.035 1.00 34.24 N ATOM 336 CA ILE A 22 -0.789 11.955 0.778 1.00 75.01 C ATOM 337 C ILE A 22 -2.178 12.569 1.043 1.00 24.45 C ATOM 338 O ILE A 22 -2.503 12.910 2.184 1.00 54.13 O ATOM 339 CB ILE A 22 0.127 13.013 0.108 1.00 75.42 C ATOM 340 CG1 ILE A 22 1.544 12.442 -0.084 1.00 44.31 C ATOM 341 CG2 ILE A 22 0.170 14.299 0.940 1.00 34.14 C ATOM 342 CD1 ILE A 22 2.498 13.382 -0.794 1.00 73.50 C ATOM 0 H ILE A 22 -0.470 10.824 -0.967 1.00 34.24 H new ATOM 0 HA ILE A 22 -0.355 11.662 1.734 1.00 75.01 H new ATOM 0 HB ILE A 22 -0.285 13.259 -0.871 1.00 75.42 H new ATOM 0 HG12 ILE A 22 1.958 12.190 0.892 1.00 44.31 H new ATOM 0 HG13 ILE A 22 1.476 11.513 -0.651 1.00 44.31 H new ATOM 0 HG21 ILE A 22 0.818 15.027 0.452 1.00 34.14 H new ATOM 0 HG22 ILE A 22 -0.836 14.710 1.027 1.00 34.14 H new ATOM 0 HG23 ILE A 22 0.559 14.077 1.934 1.00 34.14 H new ATOM 0 HD11 ILE A 22 3.474 12.906 -0.890 1.00 73.50 H new ATOM 0 HD12 ILE A 22 2.109 13.615 -1.785 1.00 73.50 H new ATOM 0 HD13 ILE A 22 2.598 14.302 -0.218 1.00 73.50 H new ATOM 354 N THR A 23 -2.999 12.699 -0.005 1.00 72.15 N ATOM 355 CA THR A 23 -4.343 13.297 0.139 1.00 60.04 C ATOM 356 C THR A 23 -5.268 12.427 1.006 1.00 61.32 C ATOM 357 O THR A 23 -6.137 12.941 1.707 1.00 10.32 O ATOM 358 CB THR A 23 -5.028 13.566 -1.228 1.00 24.12 C ATOM 359 OG1 THR A 23 -6.308 14.188 -1.027 1.00 31.03 O ATOM 360 CG2 THR A 23 -5.210 12.282 -2.028 1.00 61.54 C ATOM 0 H THR A 23 -2.766 12.404 -0.953 1.00 72.15 H new ATOM 0 HA THR A 23 -4.183 14.254 0.636 1.00 60.04 H new ATOM 0 HB THR A 23 -4.378 14.233 -1.794 1.00 24.12 H new ATOM 0 HG1 THR A 23 -6.731 14.355 -1.895 1.00 31.03 H new ATOM 0 HG21 THR A 23 -5.693 12.511 -2.978 1.00 61.54 H new ATOM 0 HG22 THR A 23 -4.236 11.829 -2.215 1.00 61.54 H new ATOM 0 HG23 THR A 23 -5.831 11.587 -1.464 1.00 61.54 H new ATOM 368 N LEU A 24 -5.072 11.109 0.967 1.00 15.00 N ATOM 369 CA LEU A 24 -5.840 10.188 1.819 1.00 14.23 C ATOM 370 C LEU A 24 -5.338 10.204 3.276 1.00 1.42 C ATOM 371 O LEU A 24 -5.902 9.531 4.144 1.00 42.13 O ATOM 372 CB LEU A 24 -5.773 8.761 1.255 1.00 54.50 C ATOM 373 CG LEU A 24 -6.504 8.548 -0.083 1.00 1.24 C ATOM 374 CD1 LEU A 24 -6.286 7.130 -0.603 1.00 24.32 C ATOM 375 CD2 LEU A 24 -7.996 8.840 0.064 1.00 1.21 C ATOM 0 H LEU A 24 -4.392 10.652 0.359 1.00 15.00 H new ATOM 0 HA LEU A 24 -6.876 10.528 1.820 1.00 14.23 H new ATOM 0 HB2 LEU A 24 -4.726 8.488 1.126 1.00 54.50 H new ATOM 0 HB3 LEU A 24 -6.192 8.076 1.992 1.00 54.50 H new ATOM 0 HG LEU A 24 -6.086 9.245 -0.809 1.00 1.24 H new ATOM 0 HD11 LEU A 24 -6.812 7.004 -1.549 1.00 24.32 H new ATOM 0 HD12 LEU A 24 -5.220 6.958 -0.755 1.00 24.32 H new ATOM 0 HD13 LEU A 24 -6.669 6.413 0.123 1.00 24.32 H new ATOM 0 HD21 LEU A 24 -8.493 8.683 -0.893 1.00 1.21 H new ATOM 0 HD22 LEU A 24 -8.426 8.172 0.810 1.00 1.21 H new ATOM 0 HD23 LEU A 24 -8.135 9.874 0.380 1.00 1.21 H new ATOM 387 N GLY A 25 -4.271 10.966 3.531 1.00 25.10 N ATOM 388 CA GLY A 25 -3.737 11.102 4.884 1.00 32.52 C ATOM 389 C GLY A 25 -3.097 9.825 5.418 1.00 12.01 C ATOM 390 O GLY A 25 -3.017 9.623 6.632 1.00 71.45 O ATOM 0 H GLY A 25 -3.764 11.495 2.821 1.00 25.10 H new ATOM 0 HA2 GLY A 25 -2.996 11.902 4.895 1.00 32.52 H new ATOM 0 HA3 GLY A 25 -4.542 11.403 5.555 1.00 32.52 H new ATOM 394 N VAL A 26 -2.637 8.957 4.516 1.00 11.43 N ATOM 395 CA VAL A 26 -2.010 7.689 4.911 1.00 53.41 C ATOM 396 C VAL A 26 -0.483 7.743 4.755 1.00 71.31 C ATOM 397 O VAL A 26 0.242 6.918 5.315 1.00 64.23 O ATOM 398 CB VAL A 26 -2.580 6.504 4.095 1.00 2.43 C ATOM 399 CG1 VAL A 26 -4.102 6.495 4.188 1.00 33.34 C ATOM 400 CG2 VAL A 26 -2.121 6.552 2.638 1.00 32.44 C ATOM 0 H VAL A 26 -2.685 9.106 3.508 1.00 11.43 H new ATOM 0 HA VAL A 26 -2.243 7.533 5.964 1.00 53.41 H new ATOM 0 HB VAL A 26 -2.194 5.578 4.522 1.00 2.43 H new ATOM 0 HG11 VAL A 26 -4.497 5.658 3.611 1.00 33.34 H new ATOM 0 HG12 VAL A 26 -4.402 6.391 5.231 1.00 33.34 H new ATOM 0 HG13 VAL A 26 -4.496 7.429 3.788 1.00 33.34 H new ATOM 0 HG21 VAL A 26 -2.541 5.705 2.096 1.00 32.44 H new ATOM 0 HG22 VAL A 26 -2.462 7.480 2.180 1.00 32.44 H new ATOM 0 HG23 VAL A 26 -1.033 6.505 2.598 1.00 32.44 H new ATOM 410 N LEU A 27 -0.005 8.720 3.989 1.00 63.01 N ATOM 411 CA LEU A 27 1.433 8.945 3.812 1.00 35.22 C ATOM 412 C LEU A 27 1.778 10.414 4.093 1.00 63.12 C ATOM 413 O LEU A 27 0.972 11.309 3.830 1.00 22.43 O ATOM 414 CB LEU A 27 1.862 8.561 2.386 1.00 35.23 C ATOM 415 CG LEU A 27 3.367 8.689 2.088 1.00 12.45 C ATOM 416 CD1 LEU A 27 4.184 7.776 3.000 1.00 61.01 C ATOM 417 CD2 LEU A 27 3.651 8.382 0.619 1.00 2.12 C ATOM 0 H LEU A 27 -0.595 9.375 3.476 1.00 63.01 H new ATOM 0 HA LEU A 27 1.974 8.317 4.519 1.00 35.22 H new ATOM 0 HB2 LEU A 27 1.559 7.531 2.200 1.00 35.23 H new ATOM 0 HB3 LEU A 27 1.315 9.187 1.680 1.00 35.23 H new ATOM 0 HG LEU A 27 3.666 9.718 2.288 1.00 12.45 H new ATOM 0 HD11 LEU A 27 5.244 7.885 2.769 1.00 61.01 H new ATOM 0 HD12 LEU A 27 4.009 8.050 4.040 1.00 61.01 H new ATOM 0 HD13 LEU A 27 3.883 6.740 2.842 1.00 61.01 H new ATOM 0 HD21 LEU A 27 4.720 8.478 0.427 1.00 2.12 H new ATOM 0 HD22 LEU A 27 3.331 7.365 0.391 1.00 2.12 H new ATOM 0 HD23 LEU A 27 3.105 9.084 -0.012 1.00 2.12 H new ATOM 429 N GLU A 28 2.967 10.658 4.638 1.00 13.33 N ATOM 430 CA GLU A 28 3.388 12.018 4.995 1.00 4.33 C ATOM 431 C GLU A 28 3.841 12.824 3.767 1.00 20.22 C ATOM 432 O GLU A 28 4.140 12.264 2.710 1.00 4.53 O ATOM 433 CB GLU A 28 4.522 11.965 6.026 1.00 74.45 C ATOM 434 CG GLU A 28 5.802 11.310 5.518 1.00 12.35 C ATOM 435 CD GLU A 28 6.920 11.350 6.546 1.00 71.30 C ATOM 436 OE1 GLU A 28 7.607 12.388 6.646 1.00 74.31 O ATOM 437 OE2 GLU A 28 7.110 10.352 7.271 1.00 0.20 O ATOM 0 H GLU A 28 3.658 9.936 4.843 1.00 13.33 H new ATOM 0 HA GLU A 28 2.523 12.524 5.423 1.00 4.33 H new ATOM 0 HB2 GLU A 28 4.751 12.980 6.349 1.00 74.45 H new ATOM 0 HB3 GLU A 28 4.174 11.422 6.904 1.00 74.45 H new ATOM 0 HG2 GLU A 28 5.595 10.274 5.250 1.00 12.35 H new ATOM 0 HG3 GLU A 28 6.129 11.815 4.609 1.00 12.35 H new ATOM 444 N SER A 29 3.891 14.146 3.919 1.00 71.21 N ATOM 445 CA SER A 29 4.374 15.029 2.850 1.00 4.11 C ATOM 446 C SER A 29 5.910 15.038 2.806 1.00 21.35 C ATOM 447 O SER A 29 6.568 15.203 3.838 1.00 32.31 O ATOM 448 CB SER A 29 3.853 16.461 3.047 1.00 33.44 C ATOM 449 OG SER A 29 4.345 17.037 4.251 1.00 42.43 O ATOM 0 H SER A 29 3.604 14.632 4.769 1.00 71.21 H new ATOM 0 HA SER A 29 3.995 14.644 1.903 1.00 4.11 H new ATOM 0 HB2 SER A 29 4.152 17.077 2.199 1.00 33.44 H new ATOM 0 HB3 SER A 29 2.763 16.453 3.066 1.00 33.44 H new ATOM 0 HG SER A 29 3.996 17.948 4.344 1.00 42.43 H new ATOM 455 N PRO A 30 6.509 14.860 1.612 1.00 12.33 N ATOM 456 CA PRO A 30 7.975 14.813 1.461 1.00 11.20 C ATOM 457 C PRO A 30 8.661 16.149 1.800 1.00 71.23 C ATOM 458 O PRO A 30 8.103 17.225 1.577 1.00 12.33 O ATOM 459 CB PRO A 30 8.167 14.462 -0.022 1.00 52.21 C ATOM 460 CG PRO A 30 6.911 14.913 -0.688 1.00 41.11 C ATOM 461 CD PRO A 30 5.814 14.694 0.318 1.00 73.14 C ATOM 0 HA PRO A 30 8.427 14.097 2.147 1.00 11.20 H new ATOM 0 HB2 PRO A 30 9.038 14.967 -0.438 1.00 52.21 H new ATOM 0 HB3 PRO A 30 8.324 13.392 -0.158 1.00 52.21 H new ATOM 0 HG2 PRO A 30 6.975 15.963 -0.975 1.00 41.11 H new ATOM 0 HG3 PRO A 30 6.725 14.345 -1.599 1.00 41.11 H new ATOM 0 HD2 PRO A 30 5.007 15.417 0.198 1.00 73.14 H new ATOM 0 HD3 PRO A 30 5.371 13.703 0.222 1.00 73.14 H new ATOM 469 N LYS A 31 9.886 16.075 2.321 1.00 11.24 N ATOM 470 CA LYS A 31 10.639 17.278 2.706 1.00 3.32 C ATOM 471 C LYS A 31 11.400 17.869 1.504 1.00 51.05 C ATOM 472 O LYS A 31 12.107 18.871 1.629 1.00 32.03 O ATOM 473 CB LYS A 31 11.647 16.963 3.827 1.00 25.25 C ATOM 474 CG LYS A 31 11.073 16.218 5.037 1.00 43.43 C ATOM 475 CD LYS A 31 10.974 14.712 4.789 1.00 13.45 C ATOM 476 CE LYS A 31 10.776 13.928 6.084 1.00 43.31 C ATOM 477 NZ LYS A 31 9.482 14.237 6.744 1.00 2.52 N ATOM 0 H LYS A 31 10.381 15.199 2.487 1.00 11.24 H new ATOM 0 HA LYS A 31 9.913 18.007 3.065 1.00 3.32 H new ATOM 0 HB2 LYS A 31 12.458 16.368 3.407 1.00 25.25 H new ATOM 0 HB3 LYS A 31 12.085 17.900 4.173 1.00 25.25 H new ATOM 0 HG2 LYS A 31 11.703 16.401 5.908 1.00 43.43 H new ATOM 0 HG3 LYS A 31 10.084 16.613 5.270 1.00 43.43 H new ATOM 0 HD2 LYS A 31 10.143 14.510 4.113 1.00 13.45 H new ATOM 0 HD3 LYS A 31 11.880 14.367 4.292 1.00 13.45 H new ATOM 0 HE2 LYS A 31 10.825 12.860 5.870 1.00 43.31 H new ATOM 0 HE3 LYS A 31 11.593 14.153 6.770 1.00 43.31 H new ATOM 0 HZ1 LYS A 31 9.660 14.637 7.687 1.00 2.52 H new ATOM 0 HZ2 LYS A 31 8.955 14.926 6.170 1.00 2.52 H new ATOM 0 HZ3 LYS A 31 8.923 13.365 6.837 1.00 2.52 H new ATOM 491 N LYS A 32 11.247 17.238 0.343 1.00 74.04 N ATOM 492 CA LYS A 32 12.002 17.611 -0.859 1.00 74.10 C ATOM 493 C LYS A 32 11.313 17.099 -2.130 1.00 63.24 C ATOM 494 O LYS A 32 10.259 16.464 -2.064 1.00 2.45 O ATOM 495 CB LYS A 32 13.418 17.025 -0.778 1.00 25.33 C ATOM 496 CG LYS A 32 13.435 15.513 -0.555 1.00 4.21 C ATOM 497 CD LYS A 32 14.851 14.944 -0.564 1.00 52.44 C ATOM 498 CE LYS A 32 15.490 15.011 -1.949 1.00 71.10 C ATOM 499 NZ LYS A 32 16.868 14.452 -1.946 1.00 24.11 N ATOM 0 H LYS A 32 10.603 16.459 0.205 1.00 74.04 H new ATOM 0 HA LYS A 32 12.048 18.699 -0.907 1.00 74.10 H new ATOM 0 HB2 LYS A 32 13.952 17.255 -1.700 1.00 25.33 H new ATOM 0 HB3 LYS A 32 13.959 17.511 0.034 1.00 25.33 H new ATOM 0 HG2 LYS A 32 12.959 15.283 0.398 1.00 4.21 H new ATOM 0 HG3 LYS A 32 12.845 15.026 -1.332 1.00 4.21 H new ATOM 0 HD2 LYS A 32 15.467 15.496 0.146 1.00 52.44 H new ATOM 0 HD3 LYS A 32 14.827 13.908 -0.227 1.00 52.44 H new ATOM 0 HE2 LYS A 32 14.875 14.460 -2.661 1.00 71.10 H new ATOM 0 HE3 LYS A 32 15.518 16.047 -2.287 1.00 71.10 H new ATOM 0 HZ1 LYS A 32 17.270 14.514 -2.903 1.00 24.11 H new ATOM 0 HZ2 LYS A 32 17.461 14.994 -1.285 1.00 24.11 H new ATOM 0 HZ3 LYS A 32 16.838 13.456 -1.647 1.00 24.11 H new ATOM 513 N THR A 33 11.916 17.378 -3.283 1.00 21.12 N ATOM 514 CA THR A 33 11.439 16.829 -4.558 1.00 4.53 C ATOM 515 C THR A 33 11.735 15.327 -4.653 1.00 0.12 C ATOM 516 O THR A 33 12.863 14.890 -4.419 1.00 42.31 O ATOM 517 CB THR A 33 12.087 17.551 -5.767 1.00 14.11 C ATOM 518 OG1 THR A 33 11.696 18.933 -5.782 1.00 34.34 O ATOM 519 CG2 THR A 33 11.692 16.898 -7.091 1.00 11.44 C ATOM 0 H THR A 33 12.735 17.980 -3.365 1.00 21.12 H new ATOM 0 HA THR A 33 10.361 16.990 -4.589 1.00 4.53 H new ATOM 0 HB THR A 33 13.169 17.472 -5.657 1.00 14.11 H new ATOM 0 HG1 THR A 33 12.111 19.382 -6.548 1.00 34.34 H new ATOM 0 HG21 THR A 33 12.165 17.431 -7.915 1.00 11.44 H new ATOM 0 HG22 THR A 33 12.020 15.858 -7.096 1.00 11.44 H new ATOM 0 HG23 THR A 33 10.609 16.938 -7.207 1.00 11.44 H new ATOM 527 N ILE A 34 10.720 14.539 -4.993 1.00 11.21 N ATOM 528 CA ILE A 34 10.873 13.084 -5.086 1.00 1.44 C ATOM 529 C ILE A 34 11.570 12.674 -6.393 1.00 4.22 C ATOM 530 O ILE A 34 10.962 12.673 -7.464 1.00 65.01 O ATOM 531 CB ILE A 34 9.503 12.366 -4.982 1.00 23.43 C ATOM 532 CG1 ILE A 34 8.808 12.728 -3.658 1.00 75.11 C ATOM 533 CG2 ILE A 34 9.674 10.851 -5.102 1.00 11.43 C ATOM 534 CD1 ILE A 34 9.563 12.270 -2.423 1.00 70.31 C ATOM 0 H ILE A 34 9.783 14.879 -5.209 1.00 11.21 H new ATOM 0 HA ILE A 34 11.497 12.778 -4.246 1.00 1.44 H new ATOM 0 HB ILE A 34 8.876 12.703 -5.807 1.00 23.43 H new ATOM 0 HG12 ILE A 34 8.676 13.809 -3.612 1.00 75.11 H new ATOM 0 HG13 ILE A 34 7.812 12.285 -3.648 1.00 75.11 H new ATOM 0 HG21 ILE A 34 8.700 10.368 -5.026 1.00 11.43 H new ATOM 0 HG22 ILE A 34 10.124 10.611 -6.065 1.00 11.43 H new ATOM 0 HG23 ILE A 34 10.320 10.493 -4.300 1.00 11.43 H new ATOM 0 HD11 ILE A 34 9.011 12.562 -1.530 1.00 70.31 H new ATOM 0 HD12 ILE A 34 9.672 11.186 -2.444 1.00 70.31 H new ATOM 0 HD13 ILE A 34 10.549 12.733 -2.407 1.00 70.31 H new ATOM 546 N SER A 35 12.857 12.346 -6.294 1.00 43.14 N ATOM 547 CA SER A 35 13.641 11.899 -7.455 1.00 62.10 C ATOM 548 C SER A 35 13.212 10.496 -7.904 1.00 63.15 C ATOM 549 O SER A 35 13.115 10.211 -9.099 1.00 75.43 O ATOM 550 CB SER A 35 15.141 11.897 -7.121 1.00 61.20 C ATOM 551 OG SER A 35 15.600 13.198 -6.772 1.00 35.45 O ATOM 0 H SER A 35 13.384 12.380 -5.422 1.00 43.14 H new ATOM 0 HA SER A 35 13.454 12.598 -8.271 1.00 62.10 H new ATOM 0 HB2 SER A 35 15.330 11.210 -6.296 1.00 61.20 H new ATOM 0 HB3 SER A 35 15.705 11.529 -7.978 1.00 61.20 H new ATOM 0 HG SER A 35 16.557 13.162 -6.564 1.00 35.45 H new ATOM 557 N ASP A 36 12.964 9.625 -6.931 1.00 71.42 N ATOM 558 CA ASP A 36 12.532 8.249 -7.195 1.00 44.24 C ATOM 559 C ASP A 36 11.140 7.976 -6.587 1.00 23.45 C ATOM 560 O ASP A 36 11.020 7.592 -5.425 1.00 65.54 O ATOM 561 CB ASP A 36 13.576 7.265 -6.641 1.00 4.33 C ATOM 562 CG ASP A 36 13.898 7.515 -5.172 1.00 4.13 C ATOM 563 OD1 ASP A 36 14.533 8.548 -4.864 1.00 44.33 O ATOM 564 OD2 ASP A 36 13.510 6.690 -4.319 1.00 52.10 O ATOM 0 H ASP A 36 13.055 9.848 -5.940 1.00 71.42 H new ATOM 0 HA ASP A 36 12.449 8.109 -8.273 1.00 44.24 H new ATOM 0 HB2 ASP A 36 13.208 6.246 -6.760 1.00 4.33 H new ATOM 0 HB3 ASP A 36 14.491 7.344 -7.228 1.00 4.33 H new ATOM 569 N PRO A 37 10.056 8.186 -7.361 1.00 73.13 N ATOM 570 CA PRO A 37 8.685 7.993 -6.858 1.00 72.41 C ATOM 571 C PRO A 37 8.393 6.531 -6.470 1.00 4.50 C ATOM 572 O PRO A 37 7.895 6.260 -5.377 1.00 12.50 O ATOM 573 CB PRO A 37 7.800 8.451 -8.028 1.00 43.32 C ATOM 574 CG PRO A 37 8.672 8.358 -9.237 1.00 22.52 C ATOM 575 CD PRO A 37 10.075 8.637 -8.766 1.00 22.12 C ATOM 0 HA PRO A 37 8.507 8.554 -5.940 1.00 72.41 H new ATOM 0 HB2 PRO A 37 6.919 7.816 -8.128 1.00 43.32 H new ATOM 0 HB3 PRO A 37 7.443 9.470 -7.877 1.00 43.32 H new ATOM 0 HG2 PRO A 37 8.603 7.370 -9.691 1.00 22.52 H new ATOM 0 HG3 PRO A 37 8.365 9.079 -9.995 1.00 22.52 H new ATOM 0 HD2 PRO A 37 10.813 8.091 -9.354 1.00 22.12 H new ATOM 0 HD3 PRO A 37 10.323 9.695 -8.846 1.00 22.12 H new ATOM 583 N GLU A 38 8.717 5.595 -7.363 1.00 62.04 N ATOM 584 CA GLU A 38 8.515 4.161 -7.098 1.00 71.53 C ATOM 585 C GLU A 38 9.403 3.665 -5.941 1.00 14.02 C ATOM 586 O GLU A 38 8.964 2.869 -5.107 1.00 24.14 O ATOM 587 CB GLU A 38 8.777 3.343 -8.374 1.00 61.14 C ATOM 588 CG GLU A 38 7.738 3.588 -9.469 1.00 61.52 C ATOM 589 CD GLU A 38 8.019 2.835 -10.762 1.00 62.32 C ATOM 590 OE1 GLU A 38 7.934 1.589 -10.767 1.00 31.31 O ATOM 591 OE2 GLU A 38 8.299 3.490 -11.791 1.00 43.21 O ATOM 0 H GLU A 38 9.121 5.799 -8.277 1.00 62.04 H new ATOM 0 HA GLU A 38 7.478 4.020 -6.795 1.00 71.53 H new ATOM 0 HB2 GLU A 38 9.767 3.589 -8.759 1.00 61.14 H new ATOM 0 HB3 GLU A 38 8.788 2.282 -8.123 1.00 61.14 H new ATOM 0 HG2 GLU A 38 6.756 3.297 -9.096 1.00 61.52 H new ATOM 0 HG3 GLU A 38 7.695 4.656 -9.683 1.00 61.52 H new ATOM 598 N GLY A 39 10.644 4.147 -5.889 1.00 62.31 N ATOM 599 CA GLY A 39 11.545 3.794 -4.792 1.00 21.04 C ATOM 600 C GLY A 39 11.065 4.322 -3.442 1.00 1.43 C ATOM 601 O GLY A 39 11.023 3.585 -2.452 1.00 14.52 O ATOM 0 H GLY A 39 11.045 4.776 -6.585 1.00 62.31 H new ATOM 0 HA2 GLY A 39 11.640 2.709 -4.740 1.00 21.04 H new ATOM 0 HA3 GLY A 39 12.538 4.192 -5.001 1.00 21.04 H new ATOM 605 N PHE A 40 10.708 5.604 -3.406 1.00 54.25 N ATOM 606 CA PHE A 40 10.129 6.229 -2.212 1.00 53.42 C ATOM 607 C PHE A 40 8.888 5.460 -1.723 1.00 44.21 C ATOM 608 O PHE A 40 8.711 5.242 -0.521 1.00 62.03 O ATOM 609 CB PHE A 40 9.763 7.689 -2.517 1.00 40.42 C ATOM 610 CG PHE A 40 9.104 8.421 -1.368 1.00 4.13 C ATOM 611 CD1 PHE A 40 9.853 8.857 -0.283 1.00 0.42 C ATOM 612 CD2 PHE A 40 7.737 8.679 -1.377 1.00 4.23 C ATOM 613 CE1 PHE A 40 9.255 9.534 0.765 1.00 65.42 C ATOM 614 CE2 PHE A 40 7.136 9.353 -0.331 1.00 74.54 C ATOM 615 CZ PHE A 40 7.896 9.781 0.740 1.00 43.32 C ATOM 0 H PHE A 40 10.810 6.239 -4.198 1.00 54.25 H new ATOM 0 HA PHE A 40 10.873 6.200 -1.416 1.00 53.42 H new ATOM 0 HB2 PHE A 40 10.668 8.226 -2.803 1.00 40.42 H new ATOM 0 HB3 PHE A 40 9.094 7.711 -3.377 1.00 40.42 H new ATOM 0 HD1 PHE A 40 10.916 8.665 -0.257 1.00 0.42 H new ATOM 0 HD2 PHE A 40 7.138 8.348 -2.212 1.00 4.23 H new ATOM 0 HE1 PHE A 40 9.850 9.869 1.602 1.00 65.42 H new ATOM 0 HE2 PHE A 40 6.073 9.545 -0.351 1.00 74.54 H new ATOM 0 HZ PHE A 40 7.428 10.309 1.558 1.00 43.32 H new ATOM 625 N LEU A 41 8.030 5.056 -2.663 1.00 23.24 N ATOM 626 CA LEU A 41 6.848 4.249 -2.337 1.00 55.53 C ATOM 627 C LEU A 41 7.243 2.925 -1.663 1.00 43.21 C ATOM 628 O LEU A 41 6.793 2.631 -0.560 1.00 11.15 O ATOM 629 CB LEU A 41 6.016 3.965 -3.599 1.00 23.42 C ATOM 630 CG LEU A 41 5.284 5.177 -4.196 1.00 3.00 C ATOM 631 CD1 LEU A 41 4.569 4.795 -5.493 1.00 61.15 C ATOM 632 CD2 LEU A 41 4.298 5.754 -3.184 1.00 31.32 C ATOM 0 H LEU A 41 8.130 5.273 -3.655 1.00 23.24 H new ATOM 0 HA LEU A 41 6.243 4.825 -1.636 1.00 55.53 H new ATOM 0 HB2 LEU A 41 6.675 3.549 -4.361 1.00 23.42 H new ATOM 0 HB3 LEU A 41 5.279 3.198 -3.362 1.00 23.42 H new ATOM 0 HG LEU A 41 6.023 5.943 -4.432 1.00 3.00 H new ATOM 0 HD11 LEU A 41 4.058 5.669 -5.898 1.00 61.15 H new ATOM 0 HD12 LEU A 41 5.298 4.434 -6.218 1.00 61.15 H new ATOM 0 HD13 LEU A 41 3.840 4.010 -5.289 1.00 61.15 H new ATOM 0 HD21 LEU A 41 3.787 6.612 -3.622 1.00 31.32 H new ATOM 0 HD22 LEU A 41 3.565 4.993 -2.916 1.00 31.32 H new ATOM 0 HD23 LEU A 41 4.837 6.070 -2.290 1.00 31.32 H new ATOM 644 N GLN A 42 8.100 2.144 -2.323 1.00 10.13 N ATOM 645 CA GLN A 42 8.536 0.841 -1.795 1.00 1.15 C ATOM 646 C GLN A 42 9.090 0.968 -0.363 1.00 14.41 C ATOM 647 O GLN A 42 8.664 0.248 0.542 1.00 12.31 O ATOM 648 CB GLN A 42 9.586 0.216 -2.738 1.00 73.55 C ATOM 649 CG GLN A 42 10.046 -1.197 -2.351 1.00 15.01 C ATOM 650 CD GLN A 42 11.104 -1.218 -1.254 1.00 41.23 C ATOM 651 OE1 GLN A 42 11.898 -0.293 -1.121 1.00 1.50 O ATOM 652 NE2 GLN A 42 11.126 -2.270 -0.461 1.00 1.45 N ATOM 0 H GLN A 42 8.509 2.388 -3.225 1.00 10.13 H new ATOM 0 HA GLN A 42 7.668 0.184 -1.748 1.00 1.15 H new ATOM 0 HB2 GLN A 42 9.173 0.184 -3.746 1.00 73.55 H new ATOM 0 HB3 GLN A 42 10.458 0.869 -2.771 1.00 73.55 H new ATOM 0 HG2 GLN A 42 9.182 -1.773 -2.021 1.00 15.01 H new ATOM 0 HG3 GLN A 42 10.443 -1.695 -3.236 1.00 15.01 H new ATOM 0 HE21 GLN A 42 10.453 -3.024 -0.596 1.00 1.45 H new ATOM 0 HE22 GLN A 42 11.816 -2.330 0.288 1.00 1.45 H new ATOM 661 N ALA A 43 10.023 1.898 -0.159 1.00 43.31 N ATOM 662 CA ALA A 43 10.636 2.109 1.160 1.00 54.04 C ATOM 663 C ALA A 43 9.598 2.498 2.230 1.00 22.22 C ATOM 664 O ALA A 43 9.713 2.106 3.395 1.00 23.01 O ATOM 665 CB ALA A 43 11.725 3.176 1.065 1.00 32.20 C ATOM 0 H ALA A 43 10.373 2.519 -0.888 1.00 43.31 H new ATOM 0 HA ALA A 43 11.079 1.163 1.471 1.00 54.04 H new ATOM 0 HB1 ALA A 43 12.174 3.326 2.047 1.00 32.20 H new ATOM 0 HB2 ALA A 43 12.492 2.852 0.361 1.00 32.20 H new ATOM 0 HB3 ALA A 43 11.288 4.113 0.719 1.00 32.20 H new ATOM 671 N SER A 44 8.587 3.265 1.829 1.00 52.31 N ATOM 672 CA SER A 44 7.543 3.730 2.760 1.00 3.12 C ATOM 673 C SER A 44 6.462 2.662 3.002 1.00 15.22 C ATOM 674 O SER A 44 5.922 2.548 4.103 1.00 11.03 O ATOM 675 CB SER A 44 6.883 5.010 2.226 1.00 2.44 C ATOM 676 OG SER A 44 7.828 6.064 2.088 1.00 53.43 O ATOM 0 H SER A 44 8.462 3.582 0.867 1.00 52.31 H new ATOM 0 HA SER A 44 8.034 3.934 3.712 1.00 3.12 H new ATOM 0 HB2 SER A 44 6.420 4.806 1.261 1.00 2.44 H new ATOM 0 HB3 SER A 44 6.087 5.320 2.903 1.00 2.44 H new ATOM 0 HG SER A 44 8.293 5.976 1.230 1.00 53.43 H new ATOM 682 N LEU A 45 6.151 1.885 1.967 1.00 34.41 N ATOM 683 CA LEU A 45 5.081 0.876 2.030 1.00 4.12 C ATOM 684 C LEU A 45 5.599 -0.485 2.530 1.00 65.23 C ATOM 685 O LEU A 45 4.811 -1.360 2.882 1.00 54.33 O ATOM 686 CB LEU A 45 4.445 0.700 0.641 1.00 32.15 C ATOM 687 CG LEU A 45 3.859 1.975 0.010 1.00 42.15 C ATOM 688 CD1 LEU A 45 3.324 1.690 -1.392 1.00 54.10 C ATOM 689 CD2 LEU A 45 2.764 2.561 0.895 1.00 24.41 C ATOM 0 H LEU A 45 6.626 1.931 1.065 1.00 34.41 H new ATOM 0 HA LEU A 45 4.337 1.234 2.741 1.00 4.12 H new ATOM 0 HB2 LEU A 45 5.198 0.295 -0.035 1.00 32.15 H new ATOM 0 HB3 LEU A 45 3.652 -0.044 0.716 1.00 32.15 H new ATOM 0 HG LEU A 45 4.660 2.710 -0.075 1.00 42.15 H new ATOM 0 HD11 LEU A 45 2.915 2.606 -1.818 1.00 54.10 H new ATOM 0 HD12 LEU A 45 4.134 1.326 -2.024 1.00 54.10 H new ATOM 0 HD13 LEU A 45 2.541 0.934 -1.336 1.00 54.10 H new ATOM 0 HD21 LEU A 45 2.364 3.462 0.430 1.00 24.41 H new ATOM 0 HD22 LEU A 45 1.965 1.830 1.017 1.00 24.41 H new ATOM 0 HD23 LEU A 45 3.180 2.811 1.871 1.00 24.41 H new ATOM 701 N LYS A 46 6.924 -0.641 2.562 1.00 23.21 N ATOM 702 CA LYS A 46 7.581 -1.913 2.926 1.00 13.23 C ATOM 703 C LYS A 46 6.973 -2.574 4.181 1.00 70.20 C ATOM 704 O LYS A 46 6.807 -3.792 4.239 1.00 63.05 O ATOM 705 CB LYS A 46 9.076 -1.663 3.177 1.00 43.25 C ATOM 706 CG LYS A 46 9.905 -2.939 3.290 1.00 41.55 C ATOM 707 CD LYS A 46 11.316 -2.677 3.816 1.00 65.40 C ATOM 708 CE LYS A 46 11.349 -2.504 5.336 1.00 72.24 C ATOM 709 NZ LYS A 46 10.751 -1.221 5.796 1.00 14.10 N ATOM 0 H LYS A 46 7.579 0.108 2.337 1.00 23.21 H new ATOM 0 HA LYS A 46 7.427 -2.595 2.090 1.00 13.23 H new ATOM 0 HB2 LYS A 46 9.474 -1.053 2.366 1.00 43.25 H new ATOM 0 HB3 LYS A 46 9.189 -1.085 4.094 1.00 43.25 H new ATOM 0 HG2 LYS A 46 9.398 -3.640 3.953 1.00 41.55 H new ATOM 0 HG3 LYS A 46 9.968 -3.415 2.311 1.00 41.55 H new ATOM 0 HD2 LYS A 46 11.966 -3.505 3.533 1.00 65.40 H new ATOM 0 HD3 LYS A 46 11.717 -1.781 3.342 1.00 65.40 H new ATOM 0 HE2 LYS A 46 10.815 -3.333 5.801 1.00 72.24 H new ATOM 0 HE3 LYS A 46 12.382 -2.559 5.679 1.00 72.24 H new ATOM 0 HZ1 LYS A 46 11.079 -1.011 6.760 1.00 14.10 H new ATOM 0 HZ2 LYS A 46 11.041 -0.454 5.157 1.00 14.10 H new ATOM 0 HZ3 LYS A 46 9.714 -1.301 5.793 1.00 14.10 H new ATOM 723 N ASP A 47 6.656 -1.760 5.181 1.00 63.33 N ATOM 724 CA ASP A 47 6.207 -2.264 6.484 1.00 22.24 C ATOM 725 C ASP A 47 4.687 -2.514 6.531 1.00 14.31 C ATOM 726 O ASP A 47 4.149 -2.904 7.569 1.00 41.43 O ATOM 727 CB ASP A 47 6.626 -1.267 7.564 1.00 44.42 C ATOM 728 CG ASP A 47 8.109 -0.948 7.474 1.00 21.13 C ATOM 729 OD1 ASP A 47 8.491 -0.128 6.610 1.00 74.54 O ATOM 730 OD2 ASP A 47 8.904 -1.549 8.226 1.00 33.23 O ATOM 0 H ASP A 47 6.700 -0.743 5.119 1.00 63.33 H new ATOM 0 HA ASP A 47 6.678 -3.231 6.659 1.00 22.24 H new ATOM 0 HB2 ASP A 47 6.047 -0.349 7.459 1.00 44.42 H new ATOM 0 HB3 ASP A 47 6.399 -1.677 8.548 1.00 44.42 H new ATOM 735 N GLY A 48 4.000 -2.279 5.415 1.00 75.11 N ATOM 736 CA GLY A 48 2.567 -2.564 5.321 1.00 3.24 C ATOM 737 C GLY A 48 1.663 -1.527 5.995 1.00 20.42 C ATOM 738 O GLY A 48 0.572 -1.244 5.501 1.00 75.12 O ATOM 0 H GLY A 48 4.410 -1.893 4.564 1.00 75.11 H new ATOM 0 HA2 GLY A 48 2.293 -2.636 4.268 1.00 3.24 H new ATOM 0 HA3 GLY A 48 2.374 -3.539 5.768 1.00 3.24 H new ATOM 742 N VAL A 49 2.117 -0.959 7.116 1.00 11.41 N ATOM 743 CA VAL A 49 1.316 -0.009 7.913 1.00 3.11 C ATOM 744 C VAL A 49 0.614 1.060 7.049 1.00 35.23 C ATOM 745 O VAL A 49 -0.586 1.306 7.202 1.00 63.44 O ATOM 746 CB VAL A 49 2.191 0.703 8.979 1.00 14.33 C ATOM 747 CG1 VAL A 49 1.344 1.629 9.855 1.00 21.21 C ATOM 748 CG2 VAL A 49 2.943 -0.317 9.836 1.00 2.51 C ATOM 0 H VAL A 49 3.045 -1.140 7.500 1.00 11.41 H new ATOM 0 HA VAL A 49 0.547 -0.608 8.400 1.00 3.11 H new ATOM 0 HB VAL A 49 2.926 1.314 8.455 1.00 14.33 H new ATOM 0 HG11 VAL A 49 1.982 2.115 10.593 1.00 21.21 H new ATOM 0 HG12 VAL A 49 0.869 2.386 9.231 1.00 21.21 H new ATOM 0 HG13 VAL A 49 0.577 1.046 10.365 1.00 21.21 H new ATOM 0 HG21 VAL A 49 3.549 0.206 10.576 1.00 2.51 H new ATOM 0 HG22 VAL A 49 2.227 -0.963 10.344 1.00 2.51 H new ATOM 0 HG23 VAL A 49 3.589 -0.922 9.199 1.00 2.51 H new ATOM 758 N VAL A 50 1.361 1.692 6.143 1.00 60.34 N ATOM 759 CA VAL A 50 0.793 2.716 5.253 1.00 64.13 C ATOM 760 C VAL A 50 -0.333 2.139 4.372 1.00 63.54 C ATOM 761 O VAL A 50 -1.360 2.784 4.155 1.00 2.40 O ATOM 762 CB VAL A 50 1.882 3.349 4.349 1.00 31.35 C ATOM 763 CG1 VAL A 50 1.291 4.448 3.462 1.00 53.31 C ATOM 764 CG2 VAL A 50 3.033 3.895 5.192 1.00 70.53 C ATOM 0 H VAL A 50 2.356 1.517 6.003 1.00 60.34 H new ATOM 0 HA VAL A 50 0.374 3.490 5.896 1.00 64.13 H new ATOM 0 HB VAL A 50 2.274 2.568 3.698 1.00 31.35 H new ATOM 0 HG11 VAL A 50 2.077 4.874 2.839 1.00 53.31 H new ATOM 0 HG12 VAL A 50 0.514 4.024 2.826 1.00 53.31 H new ATOM 0 HG13 VAL A 50 0.861 5.229 4.089 1.00 53.31 H new ATOM 0 HG21 VAL A 50 3.786 4.335 4.538 1.00 70.53 H new ATOM 0 HG22 VAL A 50 2.655 4.657 5.874 1.00 70.53 H new ATOM 0 HG23 VAL A 50 3.480 3.084 5.766 1.00 70.53 H new ATOM 774 N LEU A 51 -0.139 0.914 3.884 1.00 12.12 N ATOM 775 CA LEU A 51 -1.154 0.235 3.068 1.00 42.32 C ATOM 776 C LEU A 51 -2.406 -0.087 3.896 1.00 2.02 C ATOM 777 O LEU A 51 -3.529 -0.023 3.397 1.00 15.22 O ATOM 778 CB LEU A 51 -0.588 -1.059 2.466 1.00 44.42 C ATOM 779 CG LEU A 51 0.540 -0.876 1.440 1.00 62.53 C ATOM 780 CD1 LEU A 51 1.014 -2.231 0.922 1.00 71.34 C ATOM 781 CD2 LEU A 51 0.078 0.012 0.285 1.00 41.42 C ATOM 0 H LEU A 51 0.710 0.369 4.037 1.00 12.12 H new ATOM 0 HA LEU A 51 -1.434 0.912 2.261 1.00 42.32 H new ATOM 0 HB2 LEU A 51 -0.218 -1.685 3.278 1.00 44.42 H new ATOM 0 HB3 LEU A 51 -1.403 -1.604 1.990 1.00 44.42 H new ATOM 0 HG LEU A 51 1.378 -0.384 1.933 1.00 62.53 H new ATOM 0 HD11 LEU A 51 1.813 -2.084 0.196 1.00 71.34 H new ATOM 0 HD12 LEU A 51 1.385 -2.829 1.754 1.00 71.34 H new ATOM 0 HD13 LEU A 51 0.182 -2.750 0.445 1.00 71.34 H new ATOM 0 HD21 LEU A 51 0.891 0.130 -0.431 1.00 41.42 H new ATOM 0 HD22 LEU A 51 -0.777 -0.449 -0.209 1.00 41.42 H new ATOM 0 HD23 LEU A 51 -0.210 0.990 0.671 1.00 41.42 H new ATOM 793 N CYS A 52 -2.205 -0.440 5.164 1.00 52.33 N ATOM 794 CA CYS A 52 -3.321 -0.710 6.073 1.00 64.24 C ATOM 795 C CYS A 52 -4.202 0.537 6.242 1.00 34.20 C ATOM 796 O CYS A 52 -5.423 0.468 6.101 1.00 54.13 O ATOM 797 CB CYS A 52 -2.801 -1.182 7.434 1.00 25.32 C ATOM 798 SG CYS A 52 -1.686 -2.607 7.342 1.00 61.31 S ATOM 0 H CYS A 52 -1.283 -0.546 5.586 1.00 52.33 H new ATOM 0 HA CYS A 52 -3.929 -1.503 5.638 1.00 64.24 H new ATOM 0 HB2 CYS A 52 -2.280 -0.356 7.919 1.00 25.32 H new ATOM 0 HB3 CYS A 52 -3.650 -1.438 8.067 1.00 25.32 H new ATOM 0 HG CYS A 52 -0.739 -2.362 6.486 1.00 61.31 H new ATOM 804 N ARG A 53 -3.575 1.680 6.533 1.00 20.24 N ATOM 805 CA ARG A 53 -4.294 2.958 6.591 1.00 41.40 C ATOM 806 C ARG A 53 -4.983 3.253 5.250 1.00 74.34 C ATOM 807 O ARG A 53 -6.142 3.666 5.212 1.00 33.12 O ATOM 808 CB ARG A 53 -3.340 4.110 6.953 1.00 62.01 C ATOM 809 CG ARG A 53 -2.825 4.069 8.390 1.00 23.13 C ATOM 810 CD ARG A 53 -1.952 5.282 8.717 1.00 1.33 C ATOM 811 NE ARG A 53 -1.575 5.329 10.130 1.00 12.30 N ATOM 812 CZ ARG A 53 -0.720 6.180 10.638 1.00 34.53 C ATOM 813 NH1 ARG A 53 -0.154 7.076 9.892 1.00 1.31 N ATOM 814 NH2 ARG A 53 -0.455 6.150 11.902 1.00 52.00 N ATOM 0 H ARG A 53 -2.577 1.748 6.731 1.00 20.24 H new ATOM 0 HA ARG A 53 -5.054 2.878 7.369 1.00 41.40 H new ATOM 0 HB2 ARG A 53 -2.488 4.089 6.273 1.00 62.01 H new ATOM 0 HB3 ARG A 53 -3.854 5.057 6.790 1.00 62.01 H new ATOM 0 HG2 ARG A 53 -3.670 4.034 9.078 1.00 23.13 H new ATOM 0 HG3 ARG A 53 -2.250 3.156 8.544 1.00 23.13 H new ATOM 0 HD2 ARG A 53 -1.051 5.255 8.104 1.00 1.33 H new ATOM 0 HD3 ARG A 53 -2.488 6.194 8.456 1.00 1.33 H new ATOM 0 HE ARG A 53 -2.007 4.654 10.761 1.00 12.30 H new ATOM 0 HH11 ARG A 53 -0.373 7.124 8.897 1.00 1.31 H new ATOM 0 HH12 ARG A 53 0.511 7.734 10.300 1.00 1.31 H new ATOM 0 HH21 ARG A 53 -0.912 5.464 12.503 1.00 52.00 H new ATOM 0 HH22 ARG A 53 0.211 6.813 12.299 1.00 52.00 H new ATOM 828 N LEU A 54 -4.255 3.024 4.156 1.00 43.21 N ATOM 829 CA LEU A 54 -4.784 3.212 2.798 1.00 21.41 C ATOM 830 C LEU A 54 -6.120 2.480 2.604 1.00 41.00 C ATOM 831 O LEU A 54 -7.119 3.078 2.198 1.00 32.12 O ATOM 832 CB LEU A 54 -3.752 2.715 1.774 1.00 20.35 C ATOM 833 CG LEU A 54 -4.166 2.815 0.297 1.00 41.43 C ATOM 834 CD1 LEU A 54 -4.477 4.260 -0.080 1.00 63.11 C ATOM 835 CD2 LEU A 54 -3.072 2.245 -0.606 1.00 73.22 C ATOM 0 H LEU A 54 -3.287 2.705 4.182 1.00 43.21 H new ATOM 0 HA LEU A 54 -4.969 4.276 2.647 1.00 21.41 H new ATOM 0 HB2 LEU A 54 -2.831 3.282 1.912 1.00 20.35 H new ATOM 0 HB3 LEU A 54 -3.522 1.673 1.996 1.00 20.35 H new ATOM 0 HG LEU A 54 -5.071 2.225 0.154 1.00 41.43 H new ATOM 0 HD11 LEU A 54 -4.768 4.308 -1.129 1.00 63.11 H new ATOM 0 HD12 LEU A 54 -5.294 4.630 0.540 1.00 63.11 H new ATOM 0 HD13 LEU A 54 -3.592 4.876 0.080 1.00 63.11 H new ATOM 0 HD21 LEU A 54 -3.382 2.324 -1.648 1.00 73.22 H new ATOM 0 HD22 LEU A 54 -2.149 2.806 -0.459 1.00 73.22 H new ATOM 0 HD23 LEU A 54 -2.903 1.198 -0.356 1.00 73.22 H new ATOM 847 N LEU A 55 -6.134 1.188 2.916 1.00 20.24 N ATOM 848 CA LEU A 55 -7.342 0.375 2.771 1.00 51.44 C ATOM 849 C LEU A 55 -8.445 0.820 3.751 1.00 53.32 C ATOM 850 O LEU A 55 -9.624 0.788 3.418 1.00 0.33 O ATOM 851 CB LEU A 55 -7.004 -1.111 2.973 1.00 52.43 C ATOM 852 CG LEU A 55 -8.139 -2.097 2.647 1.00 73.23 C ATOM 853 CD1 LEU A 55 -8.601 -1.942 1.198 1.00 61.25 C ATOM 854 CD2 LEU A 55 -7.697 -3.532 2.917 1.00 42.53 C ATOM 0 H LEU A 55 -5.324 0.679 3.271 1.00 20.24 H new ATOM 0 HA LEU A 55 -7.726 0.518 1.761 1.00 51.44 H new ATOM 0 HB2 LEU A 55 -6.142 -1.358 2.353 1.00 52.43 H new ATOM 0 HB3 LEU A 55 -6.703 -1.260 4.010 1.00 52.43 H new ATOM 0 HG LEU A 55 -8.983 -1.866 3.297 1.00 73.23 H new ATOM 0 HD11 LEU A 55 -9.404 -2.651 0.994 1.00 61.25 H new ATOM 0 HD12 LEU A 55 -8.964 -0.927 1.039 1.00 61.25 H new ATOM 0 HD13 LEU A 55 -7.765 -2.138 0.527 1.00 61.25 H new ATOM 0 HD21 LEU A 55 -8.513 -4.215 2.681 1.00 42.53 H new ATOM 0 HD22 LEU A 55 -6.834 -3.770 2.296 1.00 42.53 H new ATOM 0 HD23 LEU A 55 -7.428 -3.638 3.968 1.00 42.53 H new ATOM 866 N GLU A 56 -8.054 1.258 4.949 1.00 24.24 N ATOM 867 CA GLU A 56 -9.022 1.708 5.968 1.00 0.15 C ATOM 868 C GLU A 56 -9.636 3.083 5.635 1.00 74.13 C ATOM 869 O GLU A 56 -10.680 3.450 6.180 1.00 1.15 O ATOM 870 CB GLU A 56 -8.357 1.755 7.352 1.00 60.14 C ATOM 871 CG GLU A 56 -7.999 0.381 7.915 1.00 22.01 C ATOM 872 CD GLU A 56 -9.218 -0.453 8.294 1.00 75.12 C ATOM 873 OE1 GLU A 56 -9.818 -1.087 7.404 1.00 63.13 O ATOM 874 OE2 GLU A 56 -9.578 -0.479 9.490 1.00 1.21 O ATOM 0 H GLU A 56 -7.079 1.313 5.243 1.00 24.24 H new ATOM 0 HA GLU A 56 -9.835 0.982 5.974 1.00 0.15 H new ATOM 0 HB2 GLU A 56 -7.451 2.358 7.288 1.00 60.14 H new ATOM 0 HB3 GLU A 56 -9.027 2.259 8.049 1.00 60.14 H new ATOM 0 HG2 GLU A 56 -7.410 -0.164 7.177 1.00 22.01 H new ATOM 0 HG3 GLU A 56 -7.368 0.510 8.794 1.00 22.01 H new ATOM 881 N ARG A 57 -8.982 3.852 4.765 1.00 31.22 N ATOM 882 CA ARG A 57 -9.516 5.153 4.328 1.00 21.33 C ATOM 883 C ARG A 57 -10.469 4.994 3.132 1.00 43.40 C ATOM 884 O ARG A 57 -11.252 5.894 2.819 1.00 70.40 O ATOM 885 CB ARG A 57 -8.366 6.108 3.970 1.00 64.15 C ATOM 886 CG ARG A 57 -7.494 6.489 5.164 1.00 2.25 C ATOM 887 CD ARG A 57 -8.252 7.345 6.173 1.00 44.53 C ATOM 888 NE ARG A 57 -8.561 8.673 5.641 1.00 41.22 N ATOM 889 CZ ARG A 57 -9.650 9.345 5.912 1.00 30.02 C ATOM 890 NH1 ARG A 57 -10.579 8.834 6.660 1.00 24.53 N ATOM 891 NH2 ARG A 57 -9.808 10.533 5.428 1.00 52.14 N ATOM 0 H ARG A 57 -8.085 3.603 4.347 1.00 31.22 H new ATOM 0 HA ARG A 57 -10.085 5.577 5.156 1.00 21.33 H new ATOM 0 HB2 ARG A 57 -7.741 5.641 3.208 1.00 64.15 H new ATOM 0 HB3 ARG A 57 -8.781 7.015 3.530 1.00 64.15 H new ATOM 0 HG2 ARG A 57 -7.134 5.584 5.654 1.00 2.25 H new ATOM 0 HG3 ARG A 57 -6.617 7.033 4.814 1.00 2.25 H new ATOM 0 HD2 ARG A 57 -9.178 6.842 6.453 1.00 44.53 H new ATOM 0 HD3 ARG A 57 -7.658 7.447 7.081 1.00 44.53 H new ATOM 0 HE ARG A 57 -7.880 9.104 5.016 1.00 41.22 H new ATOM 0 HH11 ARG A 57 -10.465 7.896 7.045 1.00 24.53 H new ATOM 0 HH12 ARG A 57 -11.423 9.370 6.863 1.00 24.53 H new ATOM 0 HH21 ARG A 57 -9.085 10.943 4.837 1.00 52.14 H new ATOM 0 HH22 ARG A 57 -10.656 11.060 5.637 1.00 52.14 H new ATOM 905 N LEU A 58 -10.388 3.843 2.469 1.00 60.50 N ATOM 906 CA LEU A 58 -11.259 3.520 1.332 1.00 71.34 C ATOM 907 C LEU A 58 -12.378 2.549 1.758 1.00 12.05 C ATOM 908 O LEU A 58 -13.564 2.811 1.554 1.00 3.40 O ATOM 909 CB LEU A 58 -10.418 2.902 0.207 1.00 72.51 C ATOM 910 CG LEU A 58 -9.225 3.759 -0.257 1.00 52.24 C ATOM 911 CD1 LEU A 58 -8.355 2.990 -1.246 1.00 14.23 C ATOM 912 CD2 LEU A 58 -9.708 5.078 -0.865 1.00 34.34 C ATOM 0 H LEU A 58 -9.720 3.107 2.700 1.00 60.50 H new ATOM 0 HA LEU A 58 -11.728 4.437 0.974 1.00 71.34 H new ATOM 0 HB2 LEU A 58 -10.043 1.935 0.543 1.00 72.51 H new ATOM 0 HB3 LEU A 58 -11.066 2.713 -0.649 1.00 72.51 H new ATOM 0 HG LEU A 58 -8.616 3.992 0.616 1.00 52.24 H new ATOM 0 HD11 LEU A 58 -7.519 3.616 -1.559 1.00 14.23 H new ATOM 0 HD12 LEU A 58 -7.973 2.087 -0.769 1.00 14.23 H new ATOM 0 HD13 LEU A 58 -8.950 2.716 -2.118 1.00 14.23 H new ATOM 0 HD21 LEU A 58 -8.849 5.667 -1.186 1.00 34.34 H new ATOM 0 HD22 LEU A 58 -10.347 4.871 -1.724 1.00 34.34 H new ATOM 0 HD23 LEU A 58 -10.273 5.637 -0.119 1.00 34.34 H new ATOM 924 N LEU A 59 -11.976 1.416 2.333 1.00 40.13 N ATOM 925 CA LEU A 59 -12.906 0.450 2.937 1.00 73.24 C ATOM 926 C LEU A 59 -12.727 0.420 4.471 1.00 32.52 C ATOM 927 O LEU A 59 -11.999 -0.423 5.001 1.00 54.44 O ATOM 928 CB LEU A 59 -12.657 -0.954 2.360 1.00 61.54 C ATOM 929 CG LEU A 59 -12.864 -1.103 0.843 1.00 72.32 C ATOM 930 CD1 LEU A 59 -12.418 -2.486 0.371 1.00 55.30 C ATOM 931 CD2 LEU A 59 -14.324 -0.857 0.475 1.00 30.34 C ATOM 0 H LEU A 59 -10.997 1.138 2.396 1.00 40.13 H new ATOM 0 HA LEU A 59 -13.925 0.758 2.705 1.00 73.24 H new ATOM 0 HB2 LEU A 59 -11.635 -1.248 2.598 1.00 61.54 H new ATOM 0 HB3 LEU A 59 -13.317 -1.657 2.868 1.00 61.54 H new ATOM 0 HG LEU A 59 -12.251 -0.355 0.339 1.00 72.32 H new ATOM 0 HD11 LEU A 59 -12.573 -2.571 -0.705 1.00 55.30 H new ATOM 0 HD12 LEU A 59 -11.361 -2.624 0.598 1.00 55.30 H new ATOM 0 HD13 LEU A 59 -13.002 -3.251 0.883 1.00 55.30 H new ATOM 0 HD21 LEU A 59 -14.451 -0.967 -0.602 1.00 30.34 H new ATOM 0 HD22 LEU A 59 -14.956 -1.580 0.991 1.00 30.34 H new ATOM 0 HD23 LEU A 59 -14.609 0.152 0.773 1.00 30.34 H new ATOM 943 N PRO A 60 -13.386 1.341 5.204 1.00 75.34 N ATOM 944 CA PRO A 60 -13.177 1.499 6.658 1.00 22.11 C ATOM 945 C PRO A 60 -13.662 0.295 7.487 1.00 13.53 C ATOM 946 O PRO A 60 -14.866 0.085 7.662 1.00 5.21 O ATOM 947 CB PRO A 60 -13.989 2.758 6.998 1.00 65.22 C ATOM 948 CG PRO A 60 -15.029 2.842 5.932 1.00 22.10 C ATOM 949 CD PRO A 60 -14.389 2.293 4.685 1.00 75.32 C ATOM 0 HA PRO A 60 -12.117 1.573 6.900 1.00 22.11 H new ATOM 0 HB2 PRO A 60 -14.442 2.681 7.987 1.00 65.22 H new ATOM 0 HB3 PRO A 60 -13.357 3.646 7.005 1.00 65.22 H new ATOM 0 HG2 PRO A 60 -15.913 2.265 6.203 1.00 22.10 H new ATOM 0 HG3 PRO A 60 -15.353 3.872 5.783 1.00 22.10 H new ATOM 0 HD2 PRO A 60 -15.118 1.798 4.044 1.00 75.32 H new ATOM 0 HD3 PRO A 60 -13.925 3.081 4.091 1.00 75.32 H new ATOM 957 N GLY A 61 -12.718 -0.494 8.002 1.00 43.54 N ATOM 958 CA GLY A 61 -13.064 -1.639 8.843 1.00 5.41 C ATOM 959 C GLY A 61 -12.748 -2.982 8.195 1.00 60.23 C ATOM 960 O GLY A 61 -13.327 -4.007 8.558 1.00 4.23 O ATOM 0 H GLY A 61 -11.717 -0.363 7.853 1.00 43.54 H new ATOM 0 HA2 GLY A 61 -12.525 -1.563 9.787 1.00 5.41 H new ATOM 0 HA3 GLY A 61 -14.127 -1.599 9.079 1.00 5.41 H new ATOM 964 N THR A 62 -11.827 -2.979 7.239 1.00 74.44 N ATOM 965 CA THR A 62 -11.432 -4.204 6.534 1.00 41.32 C ATOM 966 C THR A 62 -10.190 -4.850 7.167 1.00 42.22 C ATOM 967 O THR A 62 -10.097 -6.076 7.265 1.00 43.10 O ATOM 968 CB THR A 62 -11.143 -3.918 5.044 1.00 51.23 C ATOM 969 OG1 THR A 62 -12.264 -3.252 4.448 1.00 54.21 O ATOM 970 CG2 THR A 62 -10.856 -5.203 4.279 1.00 75.22 C ATOM 0 H THR A 62 -11.335 -2.141 6.929 1.00 74.44 H new ATOM 0 HA THR A 62 -12.270 -4.896 6.617 1.00 41.32 H new ATOM 0 HB THR A 62 -10.261 -3.280 4.991 1.00 51.23 H new ATOM 0 HG1 THR A 62 -12.219 -2.294 4.648 1.00 54.21 H new ATOM 0 HG21 THR A 62 -10.657 -4.967 3.234 1.00 75.22 H new ATOM 0 HG22 THR A 62 -9.986 -5.698 4.712 1.00 75.22 H new ATOM 0 HG23 THR A 62 -11.719 -5.865 4.343 1.00 75.22 H new ATOM 978 N ILE A 63 -9.235 -4.022 7.589 1.00 74.41 N ATOM 979 CA ILE A 63 -8.019 -4.515 8.249 1.00 64.23 C ATOM 980 C ILE A 63 -8.350 -5.069 9.643 1.00 62.34 C ATOM 981 O ILE A 63 -8.734 -4.316 10.541 1.00 45.54 O ATOM 982 CB ILE A 63 -6.955 -3.392 8.387 1.00 4.02 C ATOM 983 CG1 ILE A 63 -6.603 -2.801 7.010 1.00 61.30 C ATOM 984 CG2 ILE A 63 -5.699 -3.915 9.089 1.00 2.13 C ATOM 985 CD1 ILE A 63 -5.955 -3.785 6.062 1.00 3.30 C ATOM 0 H ILE A 63 -9.276 -3.008 7.487 1.00 74.41 H new ATOM 0 HA ILE A 63 -7.611 -5.311 7.626 1.00 64.23 H new ATOM 0 HB ILE A 63 -7.380 -2.597 9.000 1.00 4.02 H new ATOM 0 HG12 ILE A 63 -7.512 -2.414 6.550 1.00 61.30 H new ATOM 0 HG13 ILE A 63 -5.932 -1.954 7.151 1.00 61.30 H new ATOM 0 HG21 ILE A 63 -4.968 -3.111 9.174 1.00 2.13 H new ATOM 0 HG22 ILE A 63 -5.961 -4.274 10.084 1.00 2.13 H new ATOM 0 HG23 ILE A 63 -5.272 -4.733 8.509 1.00 2.13 H new ATOM 0 HD11 ILE A 63 -5.739 -3.290 5.115 1.00 3.30 H new ATOM 0 HD12 ILE A 63 -5.027 -4.154 6.499 1.00 3.30 H new ATOM 0 HD13 ILE A 63 -6.631 -4.622 5.888 1.00 3.30 H new ATOM 997 N GLU A 64 -8.196 -6.380 9.824 1.00 61.41 N ATOM 998 CA GLU A 64 -8.573 -7.032 11.082 1.00 41.44 C ATOM 999 C GLU A 64 -7.577 -6.704 12.205 1.00 63.40 C ATOM 1000 O GLU A 64 -7.977 -6.404 13.332 1.00 21.34 O ATOM 1001 CB GLU A 64 -8.694 -8.550 10.882 1.00 61.44 C ATOM 1002 CG GLU A 64 -9.141 -9.302 12.129 1.00 20.43 C ATOM 1003 CD GLU A 64 -9.520 -10.743 11.835 1.00 62.21 C ATOM 1004 OE1 GLU A 64 -8.613 -11.591 11.723 1.00 51.42 O ATOM 1005 OE2 GLU A 64 -10.732 -11.029 11.715 1.00 40.33 O ATOM 0 H GLU A 64 -7.814 -7.011 9.120 1.00 61.41 H new ATOM 0 HA GLU A 64 -9.545 -6.644 11.385 1.00 41.44 H new ATOM 0 HB2 GLU A 64 -9.403 -8.745 10.078 1.00 61.44 H new ATOM 0 HB3 GLU A 64 -7.730 -8.942 10.559 1.00 61.44 H new ATOM 0 HG2 GLU A 64 -8.339 -9.284 12.867 1.00 20.43 H new ATOM 0 HG3 GLU A 64 -9.994 -8.789 12.573 1.00 20.43 H new ATOM 1012 N LYS A 65 -6.284 -6.767 11.901 1.00 32.12 N ATOM 1013 CA LYS A 65 -5.254 -6.319 12.846 1.00 41.23 C ATOM 1014 C LYS A 65 -3.976 -5.872 12.126 1.00 4.01 C ATOM 1015 O LYS A 65 -3.404 -6.612 11.323 1.00 62.01 O ATOM 1016 CB LYS A 65 -4.909 -7.407 13.877 1.00 75.24 C ATOM 1017 CG LYS A 65 -3.811 -6.970 14.851 1.00 62.42 C ATOM 1018 CD LYS A 65 -3.569 -7.989 15.960 1.00 64.40 C ATOM 1019 CE LYS A 65 -2.435 -7.559 16.890 1.00 44.23 C ATOM 1020 NZ LYS A 65 -2.699 -6.243 17.540 1.00 41.44 N ATOM 0 H LYS A 65 -5.922 -7.120 11.016 1.00 32.12 H new ATOM 0 HA LYS A 65 -5.677 -5.463 13.372 1.00 41.23 H new ATOM 0 HB2 LYS A 65 -5.806 -7.667 14.439 1.00 75.24 H new ATOM 0 HB3 LYS A 65 -4.588 -8.308 13.355 1.00 75.24 H new ATOM 0 HG2 LYS A 65 -2.884 -6.812 14.300 1.00 62.42 H new ATOM 0 HG3 LYS A 65 -4.085 -6.013 15.296 1.00 62.42 H new ATOM 0 HD2 LYS A 65 -4.483 -8.120 16.539 1.00 64.40 H new ATOM 0 HD3 LYS A 65 -3.330 -8.956 15.519 1.00 64.40 H new ATOM 0 HE2 LYS A 65 -2.292 -8.318 17.659 1.00 44.23 H new ATOM 0 HE3 LYS A 65 -1.506 -7.501 16.323 1.00 44.23 H new ATOM 0 HZ1 LYS A 65 -1.991 -6.074 18.283 1.00 41.44 H new ATOM 0 HZ2 LYS A 65 -2.641 -5.487 16.829 1.00 41.44 H new ATOM 0 HZ3 LYS A 65 -3.649 -6.249 17.963 1.00 41.44 H new ATOM 1034 N VAL A 66 -3.528 -4.661 12.442 1.00 42.02 N ATOM 1035 CA VAL A 66 -2.288 -4.112 11.892 1.00 72.23 C ATOM 1036 C VAL A 66 -1.253 -3.881 13.002 1.00 65.34 C ATOM 1037 O VAL A 66 -1.604 -3.550 14.136 1.00 54.30 O ATOM 1038 CB VAL A 66 -2.543 -2.772 11.151 1.00 4.44 C ATOM 1039 CG1 VAL A 66 -3.165 -1.740 12.091 1.00 23.55 C ATOM 1040 CG2 VAL A 66 -1.247 -2.238 10.536 1.00 23.52 C ATOM 0 H VAL A 66 -4.011 -4.032 13.084 1.00 42.02 H new ATOM 0 HA VAL A 66 -1.902 -4.842 11.181 1.00 72.23 H new ATOM 0 HB VAL A 66 -3.250 -2.960 10.343 1.00 4.44 H new ATOM 0 HG11 VAL A 66 -3.334 -0.810 11.549 1.00 23.55 H new ATOM 0 HG12 VAL A 66 -4.115 -2.118 12.469 1.00 23.55 H new ATOM 0 HG13 VAL A 66 -2.490 -1.555 12.927 1.00 23.55 H new ATOM 0 HG21 VAL A 66 -1.449 -1.298 10.022 1.00 23.52 H new ATOM 0 HG22 VAL A 66 -0.513 -2.070 11.324 1.00 23.52 H new ATOM 0 HG23 VAL A 66 -0.856 -2.965 9.824 1.00 23.52 H new ATOM 1050 N TYR A 67 0.015 -4.073 12.672 1.00 3.35 N ATOM 1051 CA TYR A 67 1.110 -3.785 13.593 1.00 42.31 C ATOM 1052 C TYR A 67 1.691 -2.392 13.303 1.00 12.31 C ATOM 1053 O TYR A 67 2.479 -2.230 12.367 1.00 32.44 O ATOM 1054 CB TYR A 67 2.211 -4.849 13.460 1.00 11.53 C ATOM 1055 CG TYR A 67 1.730 -6.271 13.693 1.00 71.04 C ATOM 1056 CD1 TYR A 67 1.144 -7.006 12.667 1.00 31.35 C ATOM 1057 CD2 TYR A 67 1.867 -6.880 14.935 1.00 44.14 C ATOM 1058 CE1 TYR A 67 0.715 -8.303 12.872 1.00 74.15 C ATOM 1059 CE2 TYR A 67 1.439 -8.177 15.148 1.00 63.45 C ATOM 1060 CZ TYR A 67 0.862 -8.883 14.114 1.00 71.21 C ATOM 1061 OH TYR A 67 0.438 -10.178 14.319 1.00 55.12 O ATOM 0 H TYR A 67 0.315 -4.430 11.765 1.00 3.35 H new ATOM 0 HA TYR A 67 0.723 -3.804 14.612 1.00 42.31 H new ATOM 0 HB2 TYR A 67 2.647 -4.783 12.463 1.00 11.53 H new ATOM 0 HB3 TYR A 67 3.006 -4.625 14.171 1.00 11.53 H new ATOM 0 HD1 TYR A 67 1.022 -6.555 11.693 1.00 31.35 H new ATOM 0 HD2 TYR A 67 2.316 -6.330 15.749 1.00 44.14 H new ATOM 0 HE1 TYR A 67 0.266 -8.860 12.063 1.00 74.15 H new ATOM 0 HE2 TYR A 67 1.556 -8.635 16.119 1.00 63.45 H new ATOM 0 HH TYR A 67 0.615 -10.437 15.248 1.00 55.12 H new ATOM 1071 N PRO A 68 1.309 -1.361 14.091 1.00 53.15 N ATOM 1072 CA PRO A 68 1.802 0.019 13.891 1.00 50.54 C ATOM 1073 C PRO A 68 3.322 0.122 14.084 1.00 64.20 C ATOM 1074 O PRO A 68 3.960 1.093 13.665 1.00 25.33 O ATOM 1075 CB PRO A 68 1.060 0.827 14.971 1.00 23.15 C ATOM 1076 CG PRO A 68 0.655 -0.181 15.994 1.00 32.45 C ATOM 1077 CD PRO A 68 0.381 -1.450 15.233 1.00 24.35 C ATOM 0 HA PRO A 68 1.618 0.378 12.878 1.00 50.54 H new ATOM 0 HB2 PRO A 68 1.704 1.592 15.404 1.00 23.15 H new ATOM 0 HB3 PRO A 68 0.192 1.339 14.555 1.00 23.15 H new ATOM 0 HG2 PRO A 68 1.445 -0.330 16.731 1.00 32.45 H new ATOM 0 HG3 PRO A 68 -0.231 0.148 16.538 1.00 32.45 H new ATOM 0 HD2 PRO A 68 0.573 -2.334 15.841 1.00 24.35 H new ATOM 0 HD3 PRO A 68 -0.657 -1.508 14.906 1.00 24.35 H new ATOM 1085 N GLU A 69 3.880 -0.896 14.727 1.00 72.04 N ATOM 1086 CA GLU A 69 5.317 -1.009 14.950 1.00 23.03 C ATOM 1087 C GLU A 69 5.769 -2.470 14.765 1.00 3.55 C ATOM 1088 O GLU A 69 5.852 -3.238 15.721 1.00 65.41 O ATOM 1089 CB GLU A 69 5.666 -0.492 16.356 1.00 31.13 C ATOM 1090 CG GLU A 69 4.808 -1.098 17.466 1.00 73.03 C ATOM 1091 CD GLU A 69 5.062 -0.466 18.824 1.00 13.01 C ATOM 1092 OE1 GLU A 69 4.614 0.681 19.043 1.00 13.14 O ATOM 1093 OE2 GLU A 69 5.692 -1.112 19.687 1.00 62.23 O ATOM 0 H GLU A 69 3.344 -1.674 15.112 1.00 72.04 H new ATOM 0 HA GLU A 69 5.847 -0.399 14.219 1.00 23.03 H new ATOM 0 HB2 GLU A 69 6.715 -0.706 16.562 1.00 31.13 H new ATOM 0 HB3 GLU A 69 5.553 0.592 16.373 1.00 31.13 H new ATOM 0 HG2 GLU A 69 3.755 -0.982 17.208 1.00 73.03 H new ATOM 0 HG3 GLU A 69 5.005 -2.168 17.527 1.00 73.03 H new ATOM 1100 N PRO A 70 6.023 -2.889 13.512 1.00 55.52 N ATOM 1101 CA PRO A 70 6.400 -4.276 13.208 1.00 24.01 C ATOM 1102 C PRO A 70 7.873 -4.586 13.530 1.00 61.13 C ATOM 1103 O PRO A 70 8.787 -4.091 12.866 1.00 20.12 O ATOM 1104 CB PRO A 70 6.126 -4.380 11.703 1.00 52.55 C ATOM 1105 CG PRO A 70 6.352 -2.998 11.183 1.00 25.24 C ATOM 1106 CD PRO A 70 5.953 -2.054 12.294 1.00 34.05 C ATOM 0 HA PRO A 70 5.844 -4.995 13.810 1.00 24.01 H new ATOM 0 HB2 PRO A 70 6.795 -5.097 11.227 1.00 52.55 H new ATOM 0 HB3 PRO A 70 5.108 -4.716 11.508 1.00 52.55 H new ATOM 0 HG2 PRO A 70 7.396 -2.853 10.906 1.00 25.24 H new ATOM 0 HG3 PRO A 70 5.757 -2.818 10.288 1.00 25.24 H new ATOM 0 HD2 PRO A 70 6.628 -1.201 12.355 1.00 34.05 H new ATOM 0 HD3 PRO A 70 4.950 -1.656 12.139 1.00 34.05 H new ATOM 1114 N ARG A 71 8.099 -5.396 14.563 1.00 62.43 N ATOM 1115 CA ARG A 71 9.459 -5.796 14.954 1.00 52.43 C ATOM 1116 C ARG A 71 9.918 -7.040 14.177 1.00 31.31 C ATOM 1117 O ARG A 71 11.026 -7.083 13.642 1.00 73.34 O ATOM 1118 CB ARG A 71 9.532 -6.073 16.467 1.00 33.55 C ATOM 1119 CG ARG A 71 9.564 -4.823 17.349 1.00 62.15 C ATOM 1120 CD ARG A 71 8.355 -3.918 17.137 1.00 74.22 C ATOM 1121 NE ARG A 71 8.237 -2.891 18.173 1.00 3.34 N ATOM 1122 CZ ARG A 71 8.562 -1.635 18.016 1.00 12.14 C ATOM 1123 NH1 ARG A 71 9.146 -1.227 16.934 1.00 4.55 N ATOM 1124 NH2 ARG A 71 8.315 -0.786 18.958 1.00 53.40 N ATOM 0 H ARG A 71 7.362 -5.790 15.147 1.00 62.43 H new ATOM 0 HA ARG A 71 10.126 -4.969 14.711 1.00 52.43 H new ATOM 0 HB2 ARG A 71 8.673 -6.680 16.753 1.00 33.55 H new ATOM 0 HB3 ARG A 71 10.423 -6.667 16.671 1.00 33.55 H new ATOM 0 HG2 ARG A 71 9.608 -5.124 18.396 1.00 62.15 H new ATOM 0 HG3 ARG A 71 10.474 -4.260 17.141 1.00 62.15 H new ATOM 0 HD2 ARG A 71 8.431 -3.438 16.161 1.00 74.22 H new ATOM 0 HD3 ARG A 71 7.449 -4.524 17.125 1.00 74.22 H new ATOM 0 HE ARG A 71 7.875 -3.176 19.083 1.00 3.34 H new ATOM 0 HH11 ARG A 71 9.359 -1.890 16.188 1.00 4.55 H new ATOM 0 HH12 ARG A 71 9.393 -0.243 16.828 1.00 4.55 H new ATOM 0 HH21 ARG A 71 7.868 -1.097 19.820 1.00 53.40 H new ATOM 0 HH22 ARG A 71 8.567 0.195 18.839 1.00 53.40 H new ATOM 1138 N SER A 72 9.057 -8.049 14.122 1.00 14.40 N ATOM 1139 CA SER A 72 9.379 -9.313 13.443 1.00 61.40 C ATOM 1140 C SER A 72 9.076 -9.233 11.943 1.00 11.13 C ATOM 1141 O SER A 72 8.179 -8.506 11.513 1.00 4.13 O ATOM 1142 CB SER A 72 8.586 -10.477 14.058 1.00 75.42 C ATOM 1143 OG SER A 72 8.766 -10.543 15.464 1.00 71.22 O ATOM 0 H SER A 72 8.126 -8.023 14.539 1.00 14.40 H new ATOM 0 HA SER A 72 10.446 -9.490 13.577 1.00 61.40 H new ATOM 0 HB2 SER A 72 7.527 -10.357 13.831 1.00 75.42 H new ATOM 0 HB3 SER A 72 8.905 -11.416 13.605 1.00 75.42 H new ATOM 0 HG SER A 72 8.157 -9.912 15.902 1.00 71.22 H new ATOM 1149 N GLU A 73 9.821 -10.004 11.158 1.00 73.22 N ATOM 1150 CA GLU A 73 9.637 -10.068 9.703 1.00 70.44 C ATOM 1151 C GLU A 73 8.183 -10.411 9.329 1.00 3.12 C ATOM 1152 O GLU A 73 7.575 -9.760 8.473 1.00 43.51 O ATOM 1153 CB GLU A 73 10.597 -11.115 9.122 1.00 20.53 C ATOM 1154 CG GLU A 73 10.392 -11.417 7.642 1.00 34.10 C ATOM 1155 CD GLU A 73 11.398 -12.427 7.117 1.00 43.14 C ATOM 1156 OE1 GLU A 73 11.472 -13.543 7.678 1.00 43.13 O ATOM 1157 OE2 GLU A 73 12.136 -12.104 6.164 1.00 43.43 O ATOM 0 H GLU A 73 10.569 -10.603 11.507 1.00 73.22 H new ATOM 0 HA GLU A 73 9.857 -9.087 9.282 1.00 70.44 H new ATOM 0 HB2 GLU A 73 11.621 -10.771 9.270 1.00 20.53 H new ATOM 0 HB3 GLU A 73 10.487 -12.041 9.686 1.00 20.53 H new ATOM 0 HG2 GLU A 73 9.383 -11.798 7.487 1.00 34.10 H new ATOM 0 HG3 GLU A 73 10.475 -10.493 7.070 1.00 34.10 H new ATOM 1164 N SER A 74 7.630 -11.423 9.993 1.00 73.13 N ATOM 1165 CA SER A 74 6.249 -11.867 9.739 1.00 12.42 C ATOM 1166 C SER A 74 5.226 -10.762 10.054 1.00 53.05 C ATOM 1167 O SER A 74 4.141 -10.726 9.473 1.00 14.21 O ATOM 1168 CB SER A 74 5.927 -13.125 10.561 1.00 51.12 C ATOM 1169 OG SER A 74 4.622 -13.613 10.278 1.00 22.02 O ATOM 0 H SER A 74 8.114 -11.957 10.715 1.00 73.13 H new ATOM 0 HA SER A 74 6.175 -12.101 8.677 1.00 12.42 H new ATOM 0 HB2 SER A 74 6.661 -13.901 10.344 1.00 51.12 H new ATOM 0 HB3 SER A 74 6.009 -12.897 11.624 1.00 51.12 H new ATOM 0 HG SER A 74 4.449 -14.414 10.815 1.00 22.02 H new ATOM 1175 N GLU A 75 5.578 -9.854 10.970 1.00 54.41 N ATOM 1176 CA GLU A 75 4.706 -8.722 11.311 1.00 15.24 C ATOM 1177 C GLU A 75 4.528 -7.782 10.106 1.00 31.21 C ATOM 1178 O GLU A 75 3.406 -7.417 9.753 1.00 2.51 O ATOM 1179 CB GLU A 75 5.267 -7.944 12.515 1.00 4.23 C ATOM 1180 CG GLU A 75 5.225 -8.716 13.835 1.00 33.23 C ATOM 1181 CD GLU A 75 5.808 -7.927 15.003 1.00 42.21 C ATOM 1182 OE1 GLU A 75 5.369 -6.784 15.233 1.00 23.23 O ATOM 1183 OE2 GLU A 75 6.711 -8.447 15.695 1.00 70.24 O ATOM 0 H GLU A 75 6.457 -9.879 11.487 1.00 54.41 H new ATOM 0 HA GLU A 75 3.729 -9.123 11.581 1.00 15.24 H new ATOM 0 HB2 GLU A 75 6.299 -7.664 12.303 1.00 4.23 H new ATOM 0 HB3 GLU A 75 4.703 -7.019 12.630 1.00 4.23 H new ATOM 0 HG2 GLU A 75 4.193 -8.982 14.062 1.00 33.23 H new ATOM 0 HG3 GLU A 75 5.777 -9.649 13.722 1.00 33.23 H new ATOM 1190 N CYS A 76 5.639 -7.402 9.471 1.00 33.30 N ATOM 1191 CA CYS A 76 5.590 -6.583 8.248 1.00 32.33 C ATOM 1192 C CYS A 76 4.793 -7.296 7.145 1.00 34.43 C ATOM 1193 O CYS A 76 3.933 -6.700 6.495 1.00 10.23 O ATOM 1194 CB CYS A 76 7.008 -6.277 7.741 1.00 32.45 C ATOM 1195 SG CYS A 76 8.019 -5.315 8.891 1.00 55.41 S ATOM 0 H CYS A 76 6.581 -7.644 9.778 1.00 33.30 H new ATOM 0 HA CYS A 76 5.091 -5.646 8.496 1.00 32.33 H new ATOM 0 HB2 CYS A 76 7.516 -7.218 7.529 1.00 32.45 H new ATOM 0 HB3 CYS A 76 6.935 -5.734 6.799 1.00 32.45 H new ATOM 0 HG CYS A 76 9.194 -5.113 8.372 1.00 55.41 H new ATOM 1201 N LEU A 77 5.083 -8.583 6.954 1.00 73.52 N ATOM 1202 CA LEU A 77 4.373 -9.407 5.969 1.00 62.40 C ATOM 1203 C LEU A 77 2.868 -9.482 6.280 1.00 21.21 C ATOM 1204 O LEU A 77 2.037 -9.491 5.372 1.00 74.44 O ATOM 1205 CB LEU A 77 4.972 -10.822 5.933 1.00 31.45 C ATOM 1206 CG LEU A 77 6.461 -10.898 5.552 1.00 64.32 C ATOM 1207 CD1 LEU A 77 6.969 -12.338 5.621 1.00 54.02 C ATOM 1208 CD2 LEU A 77 6.695 -10.308 4.162 1.00 12.34 C ATOM 0 H LEU A 77 5.808 -9.082 7.470 1.00 73.52 H new ATOM 0 HA LEU A 77 4.493 -8.938 4.992 1.00 62.40 H new ATOM 0 HB2 LEU A 77 4.842 -11.279 6.914 1.00 31.45 H new ATOM 0 HB3 LEU A 77 4.402 -11.422 5.224 1.00 31.45 H new ATOM 0 HG LEU A 77 7.025 -10.306 6.273 1.00 64.32 H new ATOM 0 HD11 LEU A 77 8.024 -12.365 5.347 1.00 54.02 H new ATOM 0 HD12 LEU A 77 6.847 -12.719 6.635 1.00 54.02 H new ATOM 0 HD13 LEU A 77 6.399 -12.959 4.930 1.00 54.02 H new ATOM 0 HD21 LEU A 77 7.754 -10.372 3.913 1.00 12.34 H new ATOM 0 HD22 LEU A 77 6.115 -10.867 3.427 1.00 12.34 H new ATOM 0 HD23 LEU A 77 6.383 -9.264 4.153 1.00 12.34 H new ATOM 1220 N SER A 78 2.527 -9.530 7.569 1.00 72.14 N ATOM 1221 CA SER A 78 1.122 -9.568 8.004 1.00 13.44 C ATOM 1222 C SER A 78 0.389 -8.272 7.640 1.00 63.15 C ATOM 1223 O SER A 78 -0.728 -8.307 7.127 1.00 31.23 O ATOM 1224 CB SER A 78 1.024 -9.807 9.517 1.00 2.50 C ATOM 1225 OG SER A 78 -0.329 -9.829 9.955 1.00 41.22 O ATOM 0 H SER A 78 3.202 -9.544 8.333 1.00 72.14 H new ATOM 0 HA SER A 78 0.644 -10.396 7.480 1.00 13.44 H new ATOM 0 HB2 SER A 78 1.504 -10.752 9.769 1.00 2.50 H new ATOM 0 HB3 SER A 78 1.566 -9.023 10.046 1.00 2.50 H new ATOM 0 HG SER A 78 -0.386 -10.287 10.820 1.00 41.22 H new ATOM 1231 N ASN A 79 1.026 -7.130 7.899 1.00 61.24 N ATOM 1232 CA ASN A 79 0.448 -5.828 7.541 1.00 42.35 C ATOM 1233 C ASN A 79 0.131 -5.756 6.036 1.00 73.35 C ATOM 1234 O ASN A 79 -0.964 -5.349 5.635 1.00 50.22 O ATOM 1235 CB ASN A 79 1.403 -4.696 7.931 1.00 41.24 C ATOM 1236 CG ASN A 79 1.663 -4.642 9.423 1.00 75.43 C ATOM 1237 OD1 ASN A 79 0.841 -5.062 10.222 1.00 62.22 O ATOM 1238 ND2 ASN A 79 2.805 -4.114 9.810 1.00 22.51 N ATOM 0 H ASN A 79 1.938 -7.076 8.353 1.00 61.24 H new ATOM 0 HA ASN A 79 -0.485 -5.712 8.092 1.00 42.35 H new ATOM 0 HB2 ASN A 79 2.349 -4.826 7.405 1.00 41.24 H new ATOM 0 HB3 ASN A 79 0.985 -3.744 7.604 1.00 41.24 H new ATOM 0 HD21 ASN A 79 3.025 -4.046 10.804 1.00 22.51 H new ATOM 0 HD22 ASN A 79 3.470 -3.772 9.116 1.00 22.51 H new ATOM 1245 N ILE A 80 1.096 -6.163 5.210 1.00 71.12 N ATOM 1246 CA ILE A 80 0.890 -6.245 3.759 1.00 63.34 C ATOM 1247 C ILE A 80 -0.200 -7.277 3.422 1.00 43.22 C ATOM 1248 O ILE A 80 -1.013 -7.075 2.519 1.00 65.43 O ATOM 1249 CB ILE A 80 2.201 -6.631 3.022 1.00 44.00 C ATOM 1250 CG1 ILE A 80 3.335 -5.653 3.382 1.00 61.42 C ATOM 1251 CG2 ILE A 80 1.980 -6.660 1.508 1.00 23.33 C ATOM 1252 CD1 ILE A 80 4.675 -6.019 2.773 1.00 50.33 C ATOM 0 H ILE A 80 2.028 -6.441 5.518 1.00 71.12 H new ATOM 0 HA ILE A 80 0.574 -5.258 3.422 1.00 63.34 H new ATOM 0 HB ILE A 80 2.493 -7.630 3.347 1.00 44.00 H new ATOM 0 HG12 ILE A 80 3.057 -4.652 3.052 1.00 61.42 H new ATOM 0 HG13 ILE A 80 3.438 -5.614 4.466 1.00 61.42 H new ATOM 0 HG21 ILE A 80 2.910 -6.932 1.010 1.00 23.33 H new ATOM 0 HG22 ILE A 80 1.211 -7.393 1.267 1.00 23.33 H new ATOM 0 HG23 ILE A 80 1.661 -5.675 1.168 1.00 23.33 H new ATOM 0 HD11 ILE A 80 5.423 -5.284 3.071 1.00 50.33 H new ATOM 0 HD12 ILE A 80 4.976 -7.006 3.123 1.00 50.33 H new ATOM 0 HD13 ILE A 80 4.590 -6.030 1.686 1.00 50.33 H new ATOM 1264 N ARG A 81 -0.218 -8.378 4.174 1.00 63.31 N ATOM 1265 CA ARG A 81 -1.196 -9.449 3.963 1.00 0.44 C ATOM 1266 C ARG A 81 -2.632 -8.954 4.207 1.00 51.53 C ATOM 1267 O ARG A 81 -3.556 -9.338 3.494 1.00 3.13 O ATOM 1268 CB ARG A 81 -0.890 -10.638 4.884 1.00 12.14 C ATOM 1269 CG ARG A 81 -1.667 -11.905 4.536 1.00 14.41 C ATOM 1270 CD ARG A 81 -1.274 -12.444 3.165 1.00 30.52 C ATOM 1271 NE ARG A 81 -2.026 -13.641 2.799 1.00 73.43 N ATOM 1272 CZ ARG A 81 -1.679 -14.458 1.841 1.00 50.20 C ATOM 1273 NH1 ARG A 81 -0.570 -14.289 1.194 1.00 22.20 N ATOM 1274 NH2 ARG A 81 -2.432 -15.460 1.547 1.00 12.10 N ATOM 0 H ARG A 81 0.435 -8.553 4.937 1.00 63.31 H new ATOM 0 HA ARG A 81 -1.119 -9.769 2.924 1.00 0.44 H new ATOM 0 HB2 ARG A 81 0.177 -10.854 4.840 1.00 12.14 H new ATOM 0 HB3 ARG A 81 -1.116 -10.356 5.912 1.00 12.14 H new ATOM 0 HG2 ARG A 81 -1.482 -12.666 5.294 1.00 14.41 H new ATOM 0 HG3 ARG A 81 -2.736 -11.693 4.552 1.00 14.41 H new ATOM 0 HD2 ARG A 81 -1.438 -11.672 2.414 1.00 30.52 H new ATOM 0 HD3 ARG A 81 -0.208 -12.672 3.160 1.00 30.52 H new ATOM 0 HE ARG A 81 -2.875 -13.852 3.324 1.00 73.43 H new ATOM 0 HH11 ARG A 81 0.045 -13.510 1.430 1.00 22.20 H new ATOM 0 HH12 ARG A 81 -0.311 -14.935 0.448 1.00 22.20 H new ATOM 0 HH21 ARG A 81 -3.299 -15.615 2.062 1.00 12.10 H new ATOM 0 HH22 ARG A 81 -2.162 -16.099 0.799 1.00 12.10 H new ATOM 1288 N GLU A 82 -2.811 -8.106 5.223 1.00 42.14 N ATOM 1289 CA GLU A 82 -4.119 -7.497 5.510 1.00 73.04 C ATOM 1290 C GLU A 82 -4.593 -6.623 4.336 1.00 4.44 C ATOM 1291 O GLU A 82 -5.773 -6.630 3.972 1.00 73.24 O ATOM 1292 CB GLU A 82 -4.050 -6.664 6.799 1.00 31.21 C ATOM 1293 CG GLU A 82 -3.830 -7.492 8.062 1.00 64.31 C ATOM 1294 CD GLU A 82 -4.994 -8.427 8.372 1.00 20.10 C ATOM 1295 OE1 GLU A 82 -4.985 -9.582 7.886 1.00 53.43 O ATOM 1296 OE2 GLU A 82 -5.916 -8.016 9.109 1.00 42.24 O ATOM 0 H GLU A 82 -2.068 -7.823 5.863 1.00 42.14 H new ATOM 0 HA GLU A 82 -4.842 -8.301 5.648 1.00 73.04 H new ATOM 0 HB2 GLU A 82 -3.242 -5.938 6.707 1.00 31.21 H new ATOM 0 HB3 GLU A 82 -4.976 -6.099 6.904 1.00 31.21 H new ATOM 0 HG2 GLU A 82 -2.919 -8.080 7.950 1.00 64.31 H new ATOM 0 HG3 GLU A 82 -3.675 -6.821 8.907 1.00 64.31 H new ATOM 1303 N PHE A 83 -3.663 -5.877 3.742 1.00 12.00 N ATOM 1304 CA PHE A 83 -3.954 -5.092 2.537 1.00 53.20 C ATOM 1305 C PHE A 83 -4.409 -6.011 1.390 1.00 11.32 C ATOM 1306 O PHE A 83 -5.409 -5.748 0.717 1.00 34.12 O ATOM 1307 CB PHE A 83 -2.710 -4.293 2.124 1.00 61.11 C ATOM 1308 CG PHE A 83 -2.891 -3.472 0.870 1.00 54.34 C ATOM 1309 CD1 PHE A 83 -3.636 -2.302 0.893 1.00 2.11 C ATOM 1310 CD2 PHE A 83 -2.313 -3.869 -0.329 1.00 35.24 C ATOM 1311 CE1 PHE A 83 -3.801 -1.546 -0.251 1.00 55.13 C ATOM 1312 CE2 PHE A 83 -2.475 -3.116 -1.477 1.00 64.14 C ATOM 1313 CZ PHE A 83 -3.219 -1.953 -1.437 1.00 30.32 C ATOM 0 H PHE A 83 -2.701 -5.798 4.073 1.00 12.00 H new ATOM 0 HA PHE A 83 -4.764 -4.397 2.757 1.00 53.20 H new ATOM 0 HB2 PHE A 83 -2.430 -3.629 2.942 1.00 61.11 H new ATOM 0 HB3 PHE A 83 -1.880 -4.984 1.976 1.00 61.11 H new ATOM 0 HD1 PHE A 83 -4.093 -1.978 1.817 1.00 2.11 H new ATOM 0 HD2 PHE A 83 -1.730 -4.777 -0.365 1.00 35.24 H new ATOM 0 HE1 PHE A 83 -4.384 -0.638 -0.219 1.00 55.13 H new ATOM 0 HE2 PHE A 83 -2.021 -3.436 -2.403 1.00 64.14 H new ATOM 0 HZ PHE A 83 -3.346 -1.362 -2.332 1.00 30.32 H new ATOM 1323 N LEU A 84 -3.672 -7.102 1.194 1.00 73.11 N ATOM 1324 CA LEU A 84 -4.018 -8.109 0.184 1.00 73.33 C ATOM 1325 C LEU A 84 -5.340 -8.808 0.534 1.00 31.32 C ATOM 1326 O LEU A 84 -6.086 -9.230 -0.351 1.00 1.24 O ATOM 1327 CB LEU A 84 -2.893 -9.148 0.065 1.00 71.24 C ATOM 1328 CG LEU A 84 -1.518 -8.590 -0.349 1.00 64.32 C ATOM 1329 CD1 LEU A 84 -0.451 -9.684 -0.312 1.00 60.34 C ATOM 1330 CD2 LEU A 84 -1.592 -7.951 -1.735 1.00 12.22 C ATOM 0 H LEU A 84 -2.826 -7.315 1.723 1.00 73.11 H new ATOM 0 HA LEU A 84 -4.141 -7.601 -0.773 1.00 73.33 H new ATOM 0 HB2 LEU A 84 -2.787 -9.654 1.024 1.00 71.24 H new ATOM 0 HB3 LEU A 84 -3.194 -9.902 -0.662 1.00 71.24 H new ATOM 0 HG LEU A 84 -1.234 -7.820 0.368 1.00 64.32 H new ATOM 0 HD11 LEU A 84 0.510 -9.265 -0.608 1.00 60.34 H new ATOM 0 HD12 LEU A 84 -0.376 -10.085 0.699 1.00 60.34 H new ATOM 0 HD13 LEU A 84 -0.726 -10.484 -1.000 1.00 60.34 H new ATOM 0 HD21 LEU A 84 -0.611 -7.563 -2.010 1.00 12.22 H new ATOM 0 HD22 LEU A 84 -1.903 -8.699 -2.464 1.00 12.22 H new ATOM 0 HD23 LEU A 84 -2.314 -7.135 -1.721 1.00 12.22 H new ATOM 1342 N ARG A 85 -5.616 -8.924 1.834 1.00 53.51 N ATOM 1343 CA ARG A 85 -6.862 -9.519 2.328 1.00 10.42 C ATOM 1344 C ARG A 85 -8.084 -8.783 1.761 1.00 15.13 C ATOM 1345 O ARG A 85 -8.891 -9.359 1.033 1.00 62.13 O ATOM 1346 CB ARG A 85 -6.897 -9.452 3.864 1.00 51.44 C ATOM 1347 CG ARG A 85 -8.102 -10.145 4.502 1.00 1.25 C ATOM 1348 CD ARG A 85 -7.750 -11.530 5.031 1.00 32.32 C ATOM 1349 NE ARG A 85 -6.766 -11.460 6.110 1.00 21.32 N ATOM 1350 CZ ARG A 85 -6.248 -12.496 6.700 1.00 12.45 C ATOM 1351 NH1 ARG A 85 -6.587 -13.698 6.351 1.00 34.42 N ATOM 1352 NH2 ARG A 85 -5.389 -12.324 7.647 1.00 72.01 N ATOM 0 H ARG A 85 -4.986 -8.610 2.572 1.00 53.51 H new ATOM 0 HA ARG A 85 -6.897 -10.558 2.001 1.00 10.42 H new ATOM 0 HB2 ARG A 85 -5.985 -9.903 4.256 1.00 51.44 H new ATOM 0 HB3 ARG A 85 -6.892 -8.406 4.170 1.00 51.44 H new ATOM 0 HG2 ARG A 85 -8.483 -9.531 5.318 1.00 1.25 H new ATOM 0 HG3 ARG A 85 -8.902 -10.230 3.767 1.00 1.25 H new ATOM 0 HD2 ARG A 85 -8.653 -12.022 5.393 1.00 32.32 H new ATOM 0 HD3 ARG A 85 -7.357 -12.141 4.219 1.00 32.32 H new ATOM 0 HE ARG A 85 -6.466 -10.536 6.421 1.00 21.32 H new ATOM 0 HH11 ARG A 85 -7.268 -13.840 5.605 1.00 34.42 H new ATOM 0 HH12 ARG A 85 -6.173 -14.502 6.822 1.00 34.42 H new ATOM 0 HH21 ARG A 85 -5.121 -11.381 7.927 1.00 72.01 H new ATOM 0 HH22 ARG A 85 -4.978 -13.131 8.115 1.00 72.01 H new ATOM 1366 N GLY A 86 -8.191 -7.494 2.079 1.00 44.35 N ATOM 1367 CA GLY A 86 -9.343 -6.707 1.647 1.00 62.04 C ATOM 1368 C GLY A 86 -9.410 -6.511 0.137 1.00 72.03 C ATOM 1369 O GLY A 86 -10.460 -6.715 -0.482 1.00 43.31 O ATOM 0 H GLY A 86 -7.503 -6.978 2.627 1.00 44.35 H new ATOM 0 HA2 GLY A 86 -10.256 -7.198 1.983 1.00 62.04 H new ATOM 0 HA3 GLY A 86 -9.309 -5.731 2.132 1.00 62.04 H new ATOM 1373 N CYS A 87 -8.284 -6.124 -0.461 1.00 42.32 N ATOM 1374 CA CYS A 87 -8.207 -5.908 -1.910 1.00 32.45 C ATOM 1375 C CYS A 87 -8.447 -7.206 -2.697 1.00 43.24 C ATOM 1376 O CYS A 87 -8.931 -7.176 -3.827 1.00 43.41 O ATOM 1377 CB CYS A 87 -6.845 -5.311 -2.284 1.00 74.32 C ATOM 1378 SG CYS A 87 -6.506 -3.712 -1.513 1.00 34.23 S ATOM 0 H CYS A 87 -7.409 -5.953 0.035 1.00 42.32 H new ATOM 0 HA CYS A 87 -8.997 -5.207 -2.179 1.00 32.45 H new ATOM 0 HB2 CYS A 87 -6.062 -6.013 -1.999 1.00 74.32 H new ATOM 0 HB3 CYS A 87 -6.794 -5.199 -3.367 1.00 74.32 H new ATOM 0 HG CYS A 87 -5.258 -3.398 -1.697 1.00 34.23 H new ATOM 1384 N GLY A 88 -8.103 -8.342 -2.096 1.00 12.04 N ATOM 1385 CA GLY A 88 -8.319 -9.636 -2.740 1.00 42.43 C ATOM 1386 C GLY A 88 -9.708 -10.224 -2.483 1.00 52.01 C ATOM 1387 O GLY A 88 -10.259 -10.924 -3.335 1.00 14.34 O ATOM 0 H GLY A 88 -7.677 -8.394 -1.171 1.00 12.04 H new ATOM 0 HA2 GLY A 88 -8.173 -9.526 -3.815 1.00 42.43 H new ATOM 0 HA3 GLY A 88 -7.565 -10.339 -2.386 1.00 42.43 H new ATOM 1391 N ALA A 89 -10.274 -9.944 -1.308 1.00 40.51 N ATOM 1392 CA ALA A 89 -11.591 -10.479 -0.929 1.00 30.33 C ATOM 1393 C ALA A 89 -12.738 -9.550 -1.359 1.00 31.33 C ATOM 1394 O ALA A 89 -13.548 -9.907 -2.216 1.00 72.14 O ATOM 1395 CB ALA A 89 -11.646 -10.726 0.576 1.00 54.24 C ATOM 0 H ALA A 89 -9.844 -9.350 -0.599 1.00 40.51 H new ATOM 0 HA ALA A 89 -11.724 -11.424 -1.455 1.00 30.33 H new ATOM 0 HB1 ALA A 89 -12.626 -11.122 0.844 1.00 54.24 H new ATOM 0 HB2 ALA A 89 -10.875 -11.445 0.855 1.00 54.24 H new ATOM 0 HB3 ALA A 89 -11.476 -9.788 1.105 1.00 54.24 H new ATOM 1401 N SER A 90 -12.806 -8.358 -0.758 1.00 32.45 N ATOM 1402 CA SER A 90 -13.884 -7.395 -1.061 1.00 42.33 C ATOM 1403 C SER A 90 -13.793 -6.872 -2.499 1.00 71.21 C ATOM 1404 O SER A 90 -14.735 -6.998 -3.282 1.00 15.13 O ATOM 1405 CB SER A 90 -13.848 -6.205 -0.088 1.00 41.41 C ATOM 1406 OG SER A 90 -14.815 -5.221 -0.437 1.00 42.22 O ATOM 0 H SER A 90 -12.135 -8.033 -0.062 1.00 32.45 H new ATOM 0 HA SER A 90 -14.826 -7.932 -0.945 1.00 42.33 H new ATOM 0 HB2 SER A 90 -14.034 -6.557 0.927 1.00 41.41 H new ATOM 0 HB3 SER A 90 -12.854 -5.758 -0.093 1.00 41.41 H new ATOM 0 HG SER A 90 -14.770 -4.478 0.200 1.00 42.22 H new ATOM 1412 N LEU A 91 -12.649 -6.286 -2.837 1.00 13.30 N ATOM 1413 CA LEU A 91 -12.441 -5.685 -4.159 1.00 34.44 C ATOM 1414 C LEU A 91 -12.089 -6.731 -5.227 1.00 21.13 C ATOM 1415 O LEU A 91 -12.494 -6.600 -6.385 1.00 73.22 O ATOM 1416 CB LEU A 91 -11.342 -4.623 -4.069 1.00 33.41 C ATOM 1417 CG LEU A 91 -11.760 -3.328 -3.354 1.00 23.00 C ATOM 1418 CD1 LEU A 91 -10.543 -2.494 -2.982 1.00 23.11 C ATOM 1419 CD2 LEU A 91 -12.714 -2.524 -4.235 1.00 44.33 C ATOM 0 H LEU A 91 -11.845 -6.212 -2.213 1.00 13.30 H new ATOM 0 HA LEU A 91 -13.379 -5.223 -4.467 1.00 34.44 H new ATOM 0 HB2 LEU A 91 -10.485 -5.050 -3.548 1.00 33.41 H new ATOM 0 HB3 LEU A 91 -11.011 -4.375 -5.078 1.00 33.41 H new ATOM 0 HG LEU A 91 -12.277 -3.596 -2.432 1.00 23.00 H new ATOM 0 HD11 LEU A 91 -10.866 -1.583 -2.478 1.00 23.11 H new ATOM 0 HD12 LEU A 91 -9.898 -3.068 -2.317 1.00 23.11 H new ATOM 0 HD13 LEU A 91 -9.992 -2.232 -3.885 1.00 23.11 H new ATOM 0 HD21 LEU A 91 -13.003 -1.609 -3.718 1.00 44.33 H new ATOM 0 HD22 LEU A 91 -12.218 -2.270 -5.172 1.00 44.33 H new ATOM 0 HD23 LEU A 91 -13.603 -3.118 -4.445 1.00 44.33 H new ATOM 1431 N ARG A 92 -11.329 -7.756 -4.838 1.00 14.30 N ATOM 1432 CA ARG A 92 -10.945 -8.839 -5.757 1.00 53.42 C ATOM 1433 C ARG A 92 -10.179 -8.279 -6.976 1.00 62.15 C ATOM 1434 O ARG A 92 -10.448 -8.633 -8.126 1.00 72.14 O ATOM 1435 CB ARG A 92 -12.208 -9.608 -6.188 1.00 12.42 C ATOM 1436 CG ARG A 92 -11.940 -10.905 -6.945 1.00 61.04 C ATOM 1437 CD ARG A 92 -13.240 -11.637 -7.255 1.00 30.24 C ATOM 1438 NE ARG A 92 -13.025 -12.847 -8.039 1.00 24.12 N ATOM 1439 CZ ARG A 92 -13.961 -13.709 -8.326 1.00 13.00 C ATOM 1440 NH1 ARG A 92 -15.162 -13.559 -7.869 1.00 64.53 N ATOM 1441 NH2 ARG A 92 -13.688 -14.731 -9.064 1.00 41.40 N ATOM 0 H ARG A 92 -10.964 -7.863 -3.891 1.00 14.30 H new ATOM 0 HA ARG A 92 -10.272 -9.528 -5.246 1.00 53.42 H new ATOM 0 HB2 ARG A 92 -12.797 -9.837 -5.300 1.00 12.42 H new ATOM 0 HB3 ARG A 92 -12.817 -8.957 -6.815 1.00 12.42 H new ATOM 0 HG2 ARG A 92 -11.412 -10.686 -7.873 1.00 61.04 H new ATOM 0 HG3 ARG A 92 -11.289 -11.548 -6.352 1.00 61.04 H new ATOM 0 HD2 ARG A 92 -13.739 -11.897 -6.321 1.00 30.24 H new ATOM 0 HD3 ARG A 92 -13.909 -10.969 -7.799 1.00 30.24 H new ATOM 0 HE ARG A 92 -12.083 -13.031 -8.385 1.00 24.12 H new ATOM 0 HH11 ARG A 92 -15.386 -12.759 -7.277 1.00 64.53 H new ATOM 0 HH12 ARG A 92 -15.885 -14.240 -8.101 1.00 64.53 H new ATOM 0 HH21 ARG A 92 -12.742 -14.864 -9.422 1.00 41.40 H new ATOM 0 HH22 ARG A 92 -14.418 -15.407 -9.290 1.00 41.40 H new ATOM 1455 N LEU A 93 -9.210 -7.405 -6.701 1.00 34.41 N ATOM 1456 CA LEU A 93 -8.444 -6.719 -7.753 1.00 14.41 C ATOM 1457 C LEU A 93 -7.029 -7.310 -7.925 1.00 13.33 C ATOM 1458 O LEU A 93 -6.713 -8.362 -7.370 1.00 44.32 O ATOM 1459 CB LEU A 93 -8.382 -5.209 -7.437 1.00 42.34 C ATOM 1460 CG LEU A 93 -7.872 -4.819 -6.029 1.00 32.44 C ATOM 1461 CD1 LEU A 93 -6.355 -4.967 -5.912 1.00 62.22 C ATOM 1462 CD2 LEU A 93 -8.294 -3.395 -5.681 1.00 72.10 C ATOM 0 H LEU A 93 -8.932 -7.151 -5.753 1.00 34.41 H new ATOM 0 HA LEU A 93 -8.957 -6.870 -8.703 1.00 14.41 H new ATOM 0 HB2 LEU A 93 -7.740 -4.732 -8.177 1.00 42.34 H new ATOM 0 HB3 LEU A 93 -9.381 -4.792 -7.566 1.00 42.34 H new ATOM 0 HG LEU A 93 -8.327 -5.507 -5.316 1.00 32.44 H new ATOM 0 HD11 LEU A 93 -6.038 -4.683 -4.908 1.00 62.22 H new ATOM 0 HD12 LEU A 93 -6.075 -6.003 -6.102 1.00 62.22 H new ATOM 0 HD13 LEU A 93 -5.869 -4.320 -6.642 1.00 62.22 H new ATOM 0 HD21 LEU A 93 -7.926 -3.139 -4.687 1.00 72.10 H new ATOM 0 HD22 LEU A 93 -7.876 -2.703 -6.412 1.00 72.10 H new ATOM 0 HD23 LEU A 93 -9.382 -3.324 -5.695 1.00 72.10 H new ATOM 1474 N GLU A 94 -6.189 -6.622 -8.701 1.00 4.25 N ATOM 1475 CA GLU A 94 -4.804 -7.059 -8.954 1.00 75.00 C ATOM 1476 C GLU A 94 -4.000 -7.182 -7.642 1.00 23.20 C ATOM 1477 O GLU A 94 -3.647 -6.175 -7.026 1.00 54.30 O ATOM 1478 CB GLU A 94 -4.091 -6.059 -9.885 1.00 20.23 C ATOM 1479 CG GLU A 94 -4.960 -5.487 -11.004 1.00 61.11 C ATOM 1480 CD GLU A 94 -5.610 -6.549 -11.873 1.00 11.21 C ATOM 1481 OE1 GLU A 94 -4.918 -7.118 -12.742 1.00 42.45 O ATOM 1482 OE2 GLU A 94 -6.818 -6.814 -11.693 1.00 35.11 O ATOM 0 H GLU A 94 -6.441 -5.753 -9.171 1.00 4.25 H new ATOM 0 HA GLU A 94 -4.854 -8.040 -9.427 1.00 75.00 H new ATOM 0 HB2 GLU A 94 -3.710 -5.234 -9.283 1.00 20.23 H new ATOM 0 HB3 GLU A 94 -3.228 -6.553 -10.332 1.00 20.23 H new ATOM 0 HG2 GLU A 94 -5.738 -4.863 -10.565 1.00 61.11 H new ATOM 0 HG3 GLU A 94 -4.348 -4.840 -11.633 1.00 61.11 H new ATOM 1489 N THR A 95 -3.717 -8.409 -7.212 1.00 31.01 N ATOM 1490 CA THR A 95 -2.944 -8.641 -5.980 1.00 11.43 C ATOM 1491 C THR A 95 -1.477 -8.992 -6.279 1.00 1.33 C ATOM 1492 O THR A 95 -1.124 -9.362 -7.400 1.00 11.34 O ATOM 1493 CB THR A 95 -3.566 -9.770 -5.120 1.00 24.14 C ATOM 1494 OG1 THR A 95 -3.642 -10.989 -5.875 1.00 54.54 O ATOM 1495 CG2 THR A 95 -4.960 -9.384 -4.633 1.00 12.10 C ATOM 0 H THR A 95 -4.008 -9.261 -7.692 1.00 31.01 H new ATOM 0 HA THR A 95 -2.976 -7.705 -5.423 1.00 11.43 H new ATOM 0 HB THR A 95 -2.923 -9.921 -4.253 1.00 24.14 H new ATOM 0 HG1 THR A 95 -4.035 -11.694 -5.319 1.00 54.54 H new ATOM 0 HG21 THR A 95 -5.373 -10.194 -4.032 1.00 12.10 H new ATOM 0 HG22 THR A 95 -4.897 -8.480 -4.028 1.00 12.10 H new ATOM 0 HG23 THR A 95 -5.608 -9.202 -5.491 1.00 12.10 H new ATOM 1503 N PHE A 96 -0.626 -8.861 -5.263 1.00 54.40 N ATOM 1504 CA PHE A 96 0.807 -9.171 -5.379 1.00 72.23 C ATOM 1505 C PHE A 96 1.285 -9.992 -4.171 1.00 4.12 C ATOM 1506 O PHE A 96 0.492 -10.330 -3.291 1.00 32.43 O ATOM 1507 CB PHE A 96 1.626 -7.875 -5.504 1.00 1.20 C ATOM 1508 CG PHE A 96 1.466 -6.927 -4.334 1.00 71.34 C ATOM 1509 CD1 PHE A 96 0.418 -6.016 -4.298 1.00 70.55 C ATOM 1510 CD2 PHE A 96 2.365 -6.945 -3.275 1.00 13.11 C ATOM 1511 CE1 PHE A 96 0.270 -5.147 -3.231 1.00 63.20 C ATOM 1512 CE2 PHE A 96 2.220 -6.078 -2.207 1.00 55.23 C ATOM 1513 CZ PHE A 96 1.172 -5.178 -2.186 1.00 63.11 C ATOM 0 H PHE A 96 -0.905 -8.538 -4.336 1.00 54.40 H new ATOM 0 HA PHE A 96 0.957 -9.767 -6.279 1.00 72.23 H new ATOM 0 HB2 PHE A 96 2.680 -8.133 -5.607 1.00 1.20 H new ATOM 0 HB3 PHE A 96 1.333 -7.359 -6.418 1.00 1.20 H new ATOM 0 HD1 PHE A 96 -0.290 -5.985 -5.113 1.00 70.55 H new ATOM 0 HD2 PHE A 96 3.188 -7.645 -3.286 1.00 13.11 H new ATOM 0 HE1 PHE A 96 -0.551 -4.445 -3.216 1.00 63.20 H new ATOM 0 HE2 PHE A 96 2.926 -6.105 -1.390 1.00 55.23 H new ATOM 0 HZ PHE A 96 1.058 -4.500 -1.353 1.00 63.11 H new ATOM 1523 N ASP A 97 2.571 -10.339 -4.138 1.00 51.31 N ATOM 1524 CA ASP A 97 3.138 -11.074 -3.003 1.00 12.35 C ATOM 1525 C ASP A 97 3.821 -10.118 -2.017 1.00 22.12 C ATOM 1526 O ASP A 97 4.503 -9.174 -2.420 1.00 74.50 O ATOM 1527 CB ASP A 97 4.142 -12.123 -3.491 1.00 43.31 C ATOM 1528 CG ASP A 97 3.521 -13.084 -4.481 1.00 50.42 C ATOM 1529 OD1 ASP A 97 2.858 -14.049 -4.044 1.00 41.24 O ATOM 1530 OD2 ASP A 97 3.672 -12.871 -5.703 1.00 65.14 O ATOM 0 H ASP A 97 3.239 -10.125 -4.879 1.00 51.31 H new ATOM 0 HA ASP A 97 2.320 -11.578 -2.488 1.00 12.35 H new ATOM 0 HB2 ASP A 97 4.992 -11.623 -3.955 1.00 43.31 H new ATOM 0 HB3 ASP A 97 4.528 -12.681 -2.637 1.00 43.31 H new ATOM 1535 N ALA A 98 3.637 -10.370 -0.723 1.00 42.53 N ATOM 1536 CA ALA A 98 4.260 -9.554 0.324 1.00 62.34 C ATOM 1537 C ALA A 98 5.781 -9.448 0.130 1.00 44.33 C ATOM 1538 O ALA A 98 6.394 -8.435 0.470 1.00 71.32 O ATOM 1539 CB ALA A 98 3.937 -10.128 1.700 1.00 54.22 C ATOM 0 H ALA A 98 3.060 -11.134 -0.371 1.00 42.53 H new ATOM 0 HA ALA A 98 3.849 -8.547 0.252 1.00 62.34 H new ATOM 0 HB1 ALA A 98 4.405 -9.514 2.469 1.00 54.22 H new ATOM 0 HB2 ALA A 98 2.857 -10.134 1.847 1.00 54.22 H new ATOM 0 HB3 ALA A 98 4.318 -11.147 1.768 1.00 54.22 H new ATOM 1545 N ASN A 99 6.381 -10.498 -0.431 1.00 42.34 N ATOM 1546 CA ASN A 99 7.822 -10.518 -0.698 1.00 74.32 C ATOM 1547 C ASN A 99 8.220 -9.473 -1.760 1.00 4.41 C ATOM 1548 O ASN A 99 9.313 -8.909 -1.699 1.00 32.23 O ATOM 1549 CB ASN A 99 8.257 -11.919 -1.148 1.00 5.11 C ATOM 1550 CG ASN A 99 7.947 -12.981 -0.106 1.00 31.11 C ATOM 1551 OD1 ASN A 99 6.857 -13.540 -0.079 1.00 15.15 O ATOM 1552 ND2 ASN A 99 8.904 -13.278 0.750 1.00 31.24 N ATOM 0 H ASN A 99 5.892 -11.348 -0.710 1.00 42.34 H new ATOM 0 HA ASN A 99 8.334 -10.261 0.229 1.00 74.32 H new ATOM 0 HB2 ASN A 99 7.754 -12.171 -2.081 1.00 5.11 H new ATOM 0 HB3 ASN A 99 9.327 -11.916 -1.354 1.00 5.11 H new ATOM 0 HD21 ASN A 99 8.748 -13.992 1.462 1.00 31.24 H new ATOM 0 HD22 ASN A 99 9.801 -12.794 0.701 1.00 31.24 H new ATOM 1559 N ASP A 100 7.330 -9.207 -2.723 1.00 34.54 N ATOM 1560 CA ASP A 100 7.605 -8.214 -3.771 1.00 44.02 C ATOM 1561 C ASP A 100 7.844 -6.821 -3.174 1.00 1.10 C ATOM 1562 O ASP A 100 8.809 -6.141 -3.517 1.00 54.14 O ATOM 1563 CB ASP A 100 6.454 -8.150 -4.783 1.00 4.01 C ATOM 1564 CG ASP A 100 6.324 -9.422 -5.598 1.00 70.41 C ATOM 1565 OD1 ASP A 100 7.310 -9.808 -6.260 1.00 32.21 O ATOM 1566 OD2 ASP A 100 5.234 -10.028 -5.603 1.00 23.50 O ATOM 0 H ASP A 100 6.420 -9.661 -2.800 1.00 34.54 H new ATOM 0 HA ASP A 100 8.512 -8.532 -4.285 1.00 44.02 H new ATOM 0 HB2 ASP A 100 5.519 -7.965 -4.254 1.00 4.01 H new ATOM 0 HB3 ASP A 100 6.612 -7.307 -5.455 1.00 4.01 H new ATOM 1571 N LEU A 101 6.963 -6.409 -2.273 1.00 35.12 N ATOM 1572 CA LEU A 101 7.077 -5.101 -1.624 1.00 74.34 C ATOM 1573 C LEU A 101 8.140 -5.114 -0.512 1.00 42.02 C ATOM 1574 O LEU A 101 9.044 -4.277 -0.492 1.00 30.24 O ATOM 1575 CB LEU A 101 5.716 -4.689 -1.049 1.00 43.12 C ATOM 1576 CG LEU A 101 5.682 -3.324 -0.346 1.00 63.20 C ATOM 1577 CD1 LEU A 101 6.086 -2.208 -1.307 1.00 65.40 C ATOM 1578 CD2 LEU A 101 4.296 -3.065 0.240 1.00 23.10 C ATOM 0 H LEU A 101 6.159 -6.959 -1.971 1.00 35.12 H new ATOM 0 HA LEU A 101 7.391 -4.376 -2.374 1.00 74.34 H new ATOM 0 HB2 LEU A 101 4.987 -4.679 -1.859 1.00 43.12 H new ATOM 0 HB3 LEU A 101 5.395 -5.452 -0.340 1.00 43.12 H new ATOM 0 HG LEU A 101 6.403 -3.337 0.471 1.00 63.20 H new ATOM 0 HD11 LEU A 101 6.054 -1.251 -0.787 1.00 65.40 H new ATOM 0 HD12 LEU A 101 7.097 -2.390 -1.671 1.00 65.40 H new ATOM 0 HD13 LEU A 101 5.395 -2.186 -2.150 1.00 65.40 H new ATOM 0 HD21 LEU A 101 4.286 -2.094 0.735 1.00 23.10 H new ATOM 0 HD22 LEU A 101 3.556 -3.072 -0.560 1.00 23.10 H new ATOM 0 HD23 LEU A 101 4.056 -3.844 0.964 1.00 23.10 H new ATOM 1590 N TYR A 102 8.036 -6.084 0.396 1.00 54.35 N ATOM 1591 CA TYR A 102 8.931 -6.163 1.559 1.00 65.23 C ATOM 1592 C TYR A 102 10.402 -6.358 1.153 1.00 71.51 C ATOM 1593 O TYR A 102 11.301 -5.755 1.742 1.00 1.31 O ATOM 1594 CB TYR A 102 8.486 -7.297 2.492 1.00 1.13 C ATOM 1595 CG TYR A 102 9.316 -7.410 3.762 1.00 65.34 C ATOM 1596 CD1 TYR A 102 9.506 -6.310 4.596 1.00 44.31 C ATOM 1597 CD2 TYR A 102 9.910 -8.614 4.124 1.00 11.54 C ATOM 1598 CE1 TYR A 102 10.269 -6.408 5.746 1.00 24.03 C ATOM 1599 CE2 TYR A 102 10.669 -8.718 5.272 1.00 22.22 C ATOM 1600 CZ TYR A 102 10.846 -7.617 6.079 1.00 64.40 C ATOM 1601 OH TYR A 102 11.614 -7.726 7.218 1.00 23.44 O ATOM 0 H TYR A 102 7.341 -6.829 0.352 1.00 54.35 H new ATOM 0 HA TYR A 102 8.864 -5.210 2.084 1.00 65.23 H new ATOM 0 HB2 TYR A 102 7.442 -7.142 2.764 1.00 1.13 H new ATOM 0 HB3 TYR A 102 8.537 -8.242 1.950 1.00 1.13 H new ATOM 0 HD1 TYR A 102 9.050 -5.365 4.340 1.00 44.31 H new ATOM 0 HD2 TYR A 102 9.775 -9.482 3.496 1.00 11.54 H new ATOM 0 HE1 TYR A 102 10.412 -5.545 6.379 1.00 24.03 H new ATOM 0 HE2 TYR A 102 11.123 -9.661 5.537 1.00 22.22 H new ATOM 0 HH TYR A 102 11.943 -8.645 7.304 1.00 23.44 H new ATOM 1611 N GLN A 103 10.650 -7.201 0.152 1.00 14.35 N ATOM 1612 CA GLN A 103 12.020 -7.462 -0.315 1.00 70.31 C ATOM 1613 C GLN A 103 12.349 -6.679 -1.598 1.00 33.21 C ATOM 1614 O GLN A 103 13.411 -6.870 -2.195 1.00 31.41 O ATOM 1615 CB GLN A 103 12.230 -8.966 -0.552 1.00 4.32 C ATOM 1616 CG GLN A 103 12.076 -9.828 0.702 1.00 13.41 C ATOM 1617 CD GLN A 103 13.044 -9.449 1.816 1.00 55.32 C ATOM 1618 OE1 GLN A 103 14.138 -8.947 1.570 1.00 32.54 O ATOM 1619 NE2 GLN A 103 12.665 -9.713 3.048 1.00 51.50 N ATOM 0 H GLN A 103 9.928 -7.715 -0.352 1.00 14.35 H new ATOM 0 HA GLN A 103 12.698 -7.121 0.467 1.00 70.31 H new ATOM 0 HB2 GLN A 103 11.517 -9.307 -1.303 1.00 4.32 H new ATOM 0 HB3 GLN A 103 13.227 -9.121 -0.965 1.00 4.32 H new ATOM 0 HG2 GLN A 103 11.055 -9.740 1.072 1.00 13.41 H new ATOM 0 HG3 GLN A 103 12.230 -10.874 0.437 1.00 13.41 H new ATOM 0 HE21 GLN A 103 11.751 -10.130 3.222 1.00 51.50 H new ATOM 0 HE22 GLN A 103 13.286 -9.501 3.829 1.00 51.50 H new ATOM 1628 N GLY A 104 11.436 -5.802 -2.020 1.00 53.53 N ATOM 1629 CA GLY A 104 11.657 -4.984 -3.213 1.00 20.20 C ATOM 1630 C GLY A 104 11.954 -5.799 -4.472 1.00 72.21 C ATOM 1631 O GLY A 104 12.889 -5.490 -5.212 1.00 34.33 O ATOM 0 H GLY A 104 10.542 -5.641 -1.556 1.00 53.53 H new ATOM 0 HA2 GLY A 104 10.775 -4.369 -3.389 1.00 20.20 H new ATOM 0 HA3 GLY A 104 12.488 -4.304 -3.027 1.00 20.20 H new ATOM 1635 N GLN A 105 11.159 -6.840 -4.716 1.00 70.14 N ATOM 1636 CA GLN A 105 11.352 -7.708 -5.886 1.00 15.41 C ATOM 1637 C GLN A 105 10.664 -7.129 -7.137 1.00 74.41 C ATOM 1638 O GLN A 105 11.292 -6.433 -7.937 1.00 42.04 O ATOM 1639 CB GLN A 105 10.825 -9.124 -5.599 1.00 2.51 C ATOM 1640 CG GLN A 105 11.470 -9.800 -4.392 1.00 13.31 C ATOM 1641 CD GLN A 105 12.966 -10.005 -4.562 1.00 53.13 C ATOM 1642 OE1 GLN A 105 13.409 -11.018 -5.088 1.00 53.24 O ATOM 1643 NE2 GLN A 105 13.757 -9.050 -4.111 1.00 51.20 N ATOM 0 H GLN A 105 10.374 -7.106 -4.121 1.00 70.14 H new ATOM 0 HA GLN A 105 12.422 -7.761 -6.085 1.00 15.41 H new ATOM 0 HB2 GLN A 105 9.748 -9.073 -5.440 1.00 2.51 H new ATOM 0 HB3 GLN A 105 10.988 -9.745 -6.479 1.00 2.51 H new ATOM 0 HG2 GLN A 105 11.289 -9.196 -3.503 1.00 13.31 H new ATOM 0 HG3 GLN A 105 10.992 -10.765 -4.224 1.00 13.31 H new ATOM 0 HE21 GLN A 105 13.356 -8.218 -3.678 1.00 51.20 H new ATOM 0 HE22 GLN A 105 14.769 -9.144 -4.196 1.00 51.20 H new ATOM 1652 N ASN A 106 9.369 -7.410 -7.302 1.00 5.21 N ATOM 1653 CA ASN A 106 8.606 -6.881 -8.439 1.00 44.01 C ATOM 1654 C ASN A 106 7.656 -5.765 -7.992 1.00 63.31 C ATOM 1655 O ASN A 106 6.497 -6.016 -7.652 1.00 45.11 O ATOM 1656 CB ASN A 106 7.812 -7.999 -9.127 1.00 70.02 C ATOM 1657 CG ASN A 106 8.698 -9.140 -9.580 1.00 73.43 C ATOM 1658 OD1 ASN A 106 9.253 -9.117 -10.675 1.00 64.42 O ATOM 1659 ND2 ASN A 106 8.830 -10.155 -8.754 1.00 24.22 N ATOM 0 H ASN A 106 8.828 -7.997 -6.667 1.00 5.21 H new ATOM 0 HA ASN A 106 9.318 -6.465 -9.151 1.00 44.01 H new ATOM 0 HB2 ASN A 106 7.056 -8.380 -8.440 1.00 70.02 H new ATOM 0 HB3 ASN A 106 7.283 -7.589 -9.988 1.00 70.02 H new ATOM 0 HD21 ASN A 106 9.407 -10.954 -9.016 1.00 24.22 H new ATOM 0 HD22 ASN A 106 8.355 -10.143 -7.851 1.00 24.22 H new ATOM 1666 N PHE A 107 8.152 -4.530 -7.980 1.00 72.05 N ATOM 1667 CA PHE A 107 7.332 -3.390 -7.574 1.00 73.10 C ATOM 1668 C PHE A 107 6.263 -3.085 -8.632 1.00 54.53 C ATOM 1669 O PHE A 107 5.189 -2.585 -8.309 1.00 70.12 O ATOM 1670 CB PHE A 107 8.196 -2.145 -7.321 1.00 31.51 C ATOM 1671 CG PHE A 107 7.408 -0.980 -6.772 1.00 31.55 C ATOM 1672 CD1 PHE A 107 7.085 -0.920 -5.423 1.00 42.11 C ATOM 1673 CD2 PHE A 107 6.975 0.046 -7.603 1.00 62.31 C ATOM 1674 CE1 PHE A 107 6.351 0.136 -4.917 1.00 11.13 C ATOM 1675 CE2 PHE A 107 6.243 1.103 -7.100 1.00 34.30 C ATOM 1676 CZ PHE A 107 5.930 1.148 -5.756 1.00 54.11 C ATOM 0 H PHE A 107 9.108 -4.294 -8.244 1.00 72.05 H new ATOM 0 HA PHE A 107 6.836 -3.657 -6.641 1.00 73.10 H new ATOM 0 HB2 PHE A 107 8.993 -2.399 -6.622 1.00 31.51 H new ATOM 0 HB3 PHE A 107 8.674 -1.846 -8.254 1.00 31.51 H new ATOM 0 HD1 PHE A 107 7.411 -1.708 -4.761 1.00 42.11 H new ATOM 0 HD2 PHE A 107 7.214 0.016 -8.656 1.00 62.31 H new ATOM 0 HE1 PHE A 107 6.107 0.169 -3.865 1.00 11.13 H new ATOM 0 HE2 PHE A 107 5.915 1.894 -7.758 1.00 34.30 H new ATOM 0 HZ PHE A 107 5.357 1.974 -5.362 1.00 54.11 H new ATOM 1686 N ASN A 108 6.563 -3.400 -9.892 1.00 33.13 N ATOM 1687 CA ASN A 108 5.611 -3.214 -10.996 1.00 44.35 C ATOM 1688 C ASN A 108 4.221 -3.804 -10.676 1.00 53.13 C ATOM 1689 O ASN A 108 3.194 -3.200 -11.002 1.00 2.03 O ATOM 1690 CB ASN A 108 6.173 -3.824 -12.293 1.00 24.22 C ATOM 1691 CG ASN A 108 6.717 -5.234 -12.108 1.00 20.55 C ATOM 1692 OD1 ASN A 108 6.277 -5.982 -11.243 1.00 71.24 O ATOM 1693 ND2 ASN A 108 7.677 -5.611 -12.927 1.00 43.05 N ATOM 0 H ASN A 108 7.462 -3.788 -10.178 1.00 33.13 H new ATOM 0 HA ASN A 108 5.478 -2.141 -11.134 1.00 44.35 H new ATOM 0 HB2 ASN A 108 5.388 -3.841 -13.049 1.00 24.22 H new ATOM 0 HB3 ASN A 108 6.968 -3.182 -12.674 1.00 24.22 H new ATOM 0 HD21 ASN A 108 8.074 -6.547 -12.851 1.00 43.05 H new ATOM 0 HD22 ASN A 108 8.023 -4.967 -13.638 1.00 43.05 H new ATOM 1700 N LYS A 109 4.191 -4.975 -10.032 1.00 35.12 N ATOM 1701 CA LYS A 109 2.926 -5.589 -9.609 1.00 10.13 C ATOM 1702 C LYS A 109 2.286 -4.794 -8.459 1.00 22.41 C ATOM 1703 O LYS A 109 1.074 -4.563 -8.447 1.00 3.43 O ATOM 1704 CB LYS A 109 3.137 -7.047 -9.173 1.00 12.11 C ATOM 1705 CG LYS A 109 3.691 -7.960 -10.266 1.00 65.15 C ATOM 1706 CD LYS A 109 3.624 -9.434 -9.859 1.00 5.12 C ATOM 1707 CE LYS A 109 4.358 -9.704 -8.549 1.00 63.24 C ATOM 1708 NZ LYS A 109 4.187 -11.108 -8.081 1.00 5.51 N ATOM 0 H LYS A 109 5.023 -5.515 -9.793 1.00 35.12 H new ATOM 0 HA LYS A 109 2.254 -5.573 -10.467 1.00 10.13 H new ATOM 0 HB2 LYS A 109 3.819 -7.064 -8.323 1.00 12.11 H new ATOM 0 HB3 LYS A 109 2.186 -7.451 -8.827 1.00 12.11 H new ATOM 0 HG2 LYS A 109 3.126 -7.810 -11.186 1.00 65.15 H new ATOM 0 HG3 LYS A 109 4.725 -7.688 -10.479 1.00 65.15 H new ATOM 0 HD2 LYS A 109 2.581 -9.734 -9.758 1.00 5.12 H new ATOM 0 HD3 LYS A 109 4.057 -10.047 -10.649 1.00 5.12 H new ATOM 0 HE2 LYS A 109 5.420 -9.495 -8.681 1.00 63.24 H new ATOM 0 HE3 LYS A 109 3.991 -9.021 -7.783 1.00 63.24 H new ATOM 0 HZ1 LYS A 109 4.429 -11.169 -7.072 1.00 5.51 H new ATOM 0 HZ2 LYS A 109 3.199 -11.402 -8.218 1.00 5.51 H new ATOM 0 HZ3 LYS A 109 4.813 -11.734 -8.626 1.00 5.51 H new ATOM 1722 N VAL A 110 3.112 -4.372 -7.501 1.00 13.12 N ATOM 1723 CA VAL A 110 2.642 -3.574 -6.360 1.00 5.11 C ATOM 1724 C VAL A 110 1.997 -2.261 -6.835 1.00 43.34 C ATOM 1725 O VAL A 110 0.886 -1.916 -6.432 1.00 31.33 O ATOM 1726 CB VAL A 110 3.805 -3.246 -5.386 1.00 64.34 C ATOM 1727 CG1 VAL A 110 3.298 -2.478 -4.165 1.00 45.14 C ATOM 1728 CG2 VAL A 110 4.538 -4.520 -4.966 1.00 13.24 C ATOM 0 H VAL A 110 4.113 -4.568 -7.490 1.00 13.12 H new ATOM 0 HA VAL A 110 1.897 -4.172 -5.835 1.00 5.11 H new ATOM 0 HB VAL A 110 4.514 -2.606 -5.912 1.00 64.34 H new ATOM 0 HG11 VAL A 110 4.133 -2.261 -3.499 1.00 45.14 H new ATOM 0 HG12 VAL A 110 2.839 -1.544 -4.488 1.00 45.14 H new ATOM 0 HG13 VAL A 110 2.560 -3.081 -3.636 1.00 45.14 H new ATOM 0 HG21 VAL A 110 5.349 -4.265 -4.284 1.00 13.24 H new ATOM 0 HG22 VAL A 110 3.841 -5.193 -4.466 1.00 13.24 H new ATOM 0 HG23 VAL A 110 4.948 -5.012 -5.848 1.00 13.24 H new ATOM 1738 N LEU A 111 2.700 -1.545 -7.710 1.00 31.31 N ATOM 1739 CA LEU A 111 2.198 -0.292 -8.276 1.00 11.43 C ATOM 1740 C LEU A 111 0.893 -0.526 -9.056 1.00 21.32 C ATOM 1741 O LEU A 111 -0.047 0.258 -8.949 1.00 43.24 O ATOM 1742 CB LEU A 111 3.261 0.345 -9.186 1.00 41.15 C ATOM 1743 CG LEU A 111 2.930 1.756 -9.707 1.00 73.24 C ATOM 1744 CD1 LEU A 111 2.705 2.726 -8.550 1.00 3.50 C ATOM 1745 CD2 LEU A 111 4.038 2.262 -10.628 1.00 64.02 C ATOM 0 H LEU A 111 3.625 -1.813 -8.045 1.00 31.31 H new ATOM 0 HA LEU A 111 1.984 0.392 -7.455 1.00 11.43 H new ATOM 0 HB2 LEU A 111 4.202 0.391 -8.638 1.00 41.15 H new ATOM 0 HB3 LEU A 111 3.421 -0.311 -10.042 1.00 41.15 H new ATOM 0 HG LEU A 111 2.006 1.697 -10.282 1.00 73.24 H new ATOM 0 HD11 LEU A 111 2.473 3.715 -8.944 1.00 3.50 H new ATOM 0 HD12 LEU A 111 1.874 2.375 -7.938 1.00 3.50 H new ATOM 0 HD13 LEU A 111 3.607 2.781 -7.941 1.00 3.50 H new ATOM 0 HD21 LEU A 111 3.786 3.260 -10.986 1.00 64.02 H new ATOM 0 HD22 LEU A 111 4.979 2.300 -10.079 1.00 64.02 H new ATOM 0 HD23 LEU A 111 4.141 1.587 -11.478 1.00 64.02 H new ATOM 1757 N SER A 112 0.837 -1.617 -9.827 1.00 72.34 N ATOM 1758 CA SER A 112 -0.393 -1.984 -10.552 1.00 62.02 C ATOM 1759 C SER A 112 -1.564 -2.187 -9.581 1.00 60.31 C ATOM 1760 O SER A 112 -2.697 -1.794 -9.865 1.00 71.42 O ATOM 1761 CB SER A 112 -0.189 -3.261 -11.385 1.00 43.21 C ATOM 1762 OG SER A 112 -1.391 -3.639 -12.049 1.00 61.32 O ATOM 0 H SER A 112 1.618 -2.258 -9.967 1.00 72.34 H new ATOM 0 HA SER A 112 -0.629 -1.160 -11.225 1.00 62.02 H new ATOM 0 HB2 SER A 112 0.600 -3.097 -12.120 1.00 43.21 H new ATOM 0 HB3 SER A 112 0.142 -4.072 -10.737 1.00 43.21 H new ATOM 0 HG SER A 112 -1.234 -4.452 -12.572 1.00 61.32 H new ATOM 1768 N SER A 113 -1.283 -2.798 -8.430 1.00 74.13 N ATOM 1769 CA SER A 113 -2.301 -2.999 -7.387 1.00 30.53 C ATOM 1770 C SER A 113 -2.796 -1.656 -6.829 1.00 4.22 C ATOM 1771 O SER A 113 -4.001 -1.433 -6.696 1.00 74.20 O ATOM 1772 CB SER A 113 -1.742 -3.858 -6.246 1.00 53.54 C ATOM 1773 OG SER A 113 -2.734 -4.132 -5.270 1.00 50.21 O ATOM 0 H SER A 113 -0.361 -3.164 -8.192 1.00 74.13 H new ATOM 0 HA SER A 113 -3.144 -3.517 -7.844 1.00 30.53 H new ATOM 0 HB2 SER A 113 -1.357 -4.795 -6.649 1.00 53.54 H new ATOM 0 HB3 SER A 113 -0.902 -3.343 -5.779 1.00 53.54 H new ATOM 0 HG SER A 113 -3.301 -4.870 -5.578 1.00 50.21 H new ATOM 1779 N LEU A 114 -1.857 -0.762 -6.522 1.00 71.32 N ATOM 1780 CA LEU A 114 -2.183 0.576 -6.011 1.00 15.14 C ATOM 1781 C LEU A 114 -3.011 1.378 -7.030 1.00 22.43 C ATOM 1782 O LEU A 114 -4.047 1.955 -6.691 1.00 41.11 O ATOM 1783 CB LEU A 114 -0.891 1.332 -5.674 1.00 41.51 C ATOM 1784 CG LEU A 114 0.016 0.653 -4.633 1.00 65.34 C ATOM 1785 CD1 LEU A 114 1.310 1.443 -4.441 1.00 23.51 C ATOM 1786 CD2 LEU A 114 -0.720 0.487 -3.303 1.00 11.25 C ATOM 0 H LEU A 114 -0.857 -0.939 -6.618 1.00 71.32 H new ATOM 0 HA LEU A 114 -2.783 0.458 -5.109 1.00 15.14 H new ATOM 0 HB2 LEU A 114 -0.321 1.471 -6.593 1.00 41.51 H new ATOM 0 HB3 LEU A 114 -1.155 2.325 -5.309 1.00 41.51 H new ATOM 0 HG LEU A 114 0.277 -0.338 -5.005 1.00 65.34 H new ATOM 0 HD11 LEU A 114 1.935 0.944 -3.701 1.00 23.51 H new ATOM 0 HD12 LEU A 114 1.846 1.500 -5.389 1.00 23.51 H new ATOM 0 HD13 LEU A 114 1.074 2.450 -4.097 1.00 23.51 H new ATOM 0 HD21 LEU A 114 -0.061 0.005 -2.580 1.00 11.25 H new ATOM 0 HD22 LEU A 114 -1.017 1.466 -2.927 1.00 11.25 H new ATOM 0 HD23 LEU A 114 -1.607 -0.128 -3.452 1.00 11.25 H new ATOM 1798 N VAL A 115 -2.548 1.409 -8.279 1.00 75.04 N ATOM 1799 CA VAL A 115 -3.274 2.086 -9.359 1.00 23.31 C ATOM 1800 C VAL A 115 -4.686 1.501 -9.527 1.00 65.24 C ATOM 1801 O VAL A 115 -5.661 2.239 -9.672 1.00 33.24 O ATOM 1802 CB VAL A 115 -2.510 1.990 -10.708 1.00 31.30 C ATOM 1803 CG1 VAL A 115 -3.313 2.626 -11.843 1.00 33.34 C ATOM 1804 CG2 VAL A 115 -1.132 2.644 -10.596 1.00 22.33 C ATOM 0 H VAL A 115 -1.673 0.974 -8.571 1.00 75.04 H new ATOM 0 HA VAL A 115 -3.354 3.136 -9.078 1.00 23.31 H new ATOM 0 HB VAL A 115 -2.375 0.934 -10.941 1.00 31.30 H new ATOM 0 HG11 VAL A 115 -2.754 2.544 -12.775 1.00 33.34 H new ATOM 0 HG12 VAL A 115 -4.268 2.111 -11.946 1.00 33.34 H new ATOM 0 HG13 VAL A 115 -3.491 3.678 -11.618 1.00 33.34 H new ATOM 0 HG21 VAL A 115 -0.613 2.566 -11.552 1.00 22.33 H new ATOM 0 HG22 VAL A 115 -1.248 3.695 -10.331 1.00 22.33 H new ATOM 0 HG23 VAL A 115 -0.551 2.138 -9.825 1.00 22.33 H new ATOM 1814 N THR A 116 -4.790 0.173 -9.495 1.00 52.43 N ATOM 1815 CA THR A 116 -6.091 -0.504 -9.586 1.00 63.40 C ATOM 1816 C THR A 116 -6.981 -0.160 -8.388 1.00 54.01 C ATOM 1817 O THR A 116 -8.186 0.025 -8.532 1.00 40.40 O ATOM 1818 CB THR A 116 -5.941 -2.041 -9.678 1.00 33.33 C ATOM 1819 OG1 THR A 116 -5.162 -2.387 -10.834 1.00 24.43 O ATOM 1820 CG2 THR A 116 -7.305 -2.726 -9.756 1.00 5.31 C ATOM 0 H THR A 116 -3.993 -0.458 -9.407 1.00 52.43 H new ATOM 0 HA THR A 116 -6.559 -0.144 -10.502 1.00 63.40 H new ATOM 0 HB THR A 116 -5.435 -2.386 -8.776 1.00 33.33 H new ATOM 0 HG1 THR A 116 -4.213 -2.226 -10.649 1.00 24.43 H new ATOM 0 HG21 THR A 116 -7.167 -3.805 -9.820 1.00 5.31 H new ATOM 0 HG22 THR A 116 -7.884 -2.486 -8.864 1.00 5.31 H new ATOM 0 HG23 THR A 116 -7.838 -2.376 -10.640 1.00 5.31 H new ATOM 1828 N LEU A 117 -6.377 -0.064 -7.207 1.00 35.04 N ATOM 1829 CA LEU A 117 -7.102 0.333 -5.996 1.00 11.41 C ATOM 1830 C LEU A 117 -7.717 1.734 -6.169 1.00 13.33 C ATOM 1831 O LEU A 117 -8.828 2.007 -5.711 1.00 64.04 O ATOM 1832 CB LEU A 117 -6.153 0.303 -4.788 1.00 75.13 C ATOM 1833 CG LEU A 117 -6.802 0.582 -3.422 1.00 23.34 C ATOM 1834 CD1 LEU A 117 -7.881 -0.448 -3.110 1.00 71.33 C ATOM 1835 CD2 LEU A 117 -5.746 0.603 -2.320 1.00 4.44 C ATOM 0 H LEU A 117 -5.386 -0.255 -7.059 1.00 35.04 H new ATOM 0 HA LEU A 117 -7.914 -0.373 -5.823 1.00 11.41 H new ATOM 0 HB2 LEU A 117 -5.675 -0.676 -4.749 1.00 75.13 H new ATOM 0 HB3 LEU A 117 -5.364 1.037 -4.951 1.00 75.13 H new ATOM 0 HG LEU A 117 -7.274 1.563 -3.467 1.00 23.34 H new ATOM 0 HD11 LEU A 117 -8.324 -0.228 -2.139 1.00 71.33 H new ATOM 0 HD12 LEU A 117 -8.653 -0.410 -3.878 1.00 71.33 H new ATOM 0 HD13 LEU A 117 -7.438 -1.444 -3.090 1.00 71.33 H new ATOM 0 HD21 LEU A 117 -6.225 0.802 -1.361 1.00 4.44 H new ATOM 0 HD22 LEU A 117 -5.242 -0.363 -2.281 1.00 4.44 H new ATOM 0 HD23 LEU A 117 -5.016 1.385 -2.530 1.00 4.44 H new ATOM 1847 N ASN A 118 -6.982 2.614 -6.845 1.00 71.15 N ATOM 1848 CA ASN A 118 -7.488 3.941 -7.212 1.00 22.01 C ATOM 1849 C ASN A 118 -8.577 3.833 -8.299 1.00 34.33 C ATOM 1850 O ASN A 118 -9.579 4.545 -8.265 1.00 51.42 O ATOM 1851 CB ASN A 118 -6.322 4.820 -7.694 1.00 40.22 C ATOM 1852 CG ASN A 118 -6.757 6.217 -8.103 1.00 71.54 C ATOM 1853 OD1 ASN A 118 -7.064 6.468 -9.263 1.00 2.40 O ATOM 1854 ND2 ASN A 118 -6.791 7.134 -7.157 1.00 3.02 N ATOM 0 H ASN A 118 -6.027 2.433 -7.153 1.00 71.15 H new ATOM 0 HA ASN A 118 -7.942 4.402 -6.334 1.00 22.01 H new ATOM 0 HB2 ASN A 118 -5.579 4.895 -6.900 1.00 40.22 H new ATOM 0 HB3 ASN A 118 -5.835 4.335 -8.540 1.00 40.22 H new ATOM 0 HD21 ASN A 118 -7.079 8.087 -7.380 1.00 3.02 H new ATOM 0 HD22 ASN A 118 -6.529 6.891 -6.202 1.00 3.02 H new ATOM 1861 N LYS A 119 -8.376 2.923 -9.254 1.00 62.24 N ATOM 1862 CA LYS A 119 -9.344 2.695 -10.339 1.00 70.31 C ATOM 1863 C LYS A 119 -10.710 2.216 -9.810 1.00 51.31 C ATOM 1864 O LYS A 119 -11.754 2.739 -10.202 1.00 61.13 O ATOM 1865 CB LYS A 119 -8.792 1.667 -11.338 1.00 21.02 C ATOM 1866 CG LYS A 119 -7.593 2.163 -12.148 1.00 73.21 C ATOM 1867 CD LYS A 119 -6.956 1.045 -12.975 1.00 50.31 C ATOM 1868 CE LYS A 119 -7.952 0.391 -13.929 1.00 53.42 C ATOM 1869 NZ LYS A 119 -7.328 -0.706 -14.717 1.00 31.53 N ATOM 0 H LYS A 119 -7.549 2.328 -9.302 1.00 62.24 H new ATOM 0 HA LYS A 119 -9.496 3.652 -10.838 1.00 70.31 H new ATOM 0 HB2 LYS A 119 -8.502 0.768 -10.794 1.00 21.02 H new ATOM 0 HB3 LYS A 119 -9.588 1.381 -12.026 1.00 21.02 H new ATOM 0 HG2 LYS A 119 -7.912 2.967 -12.811 1.00 73.21 H new ATOM 0 HG3 LYS A 119 -6.848 2.583 -11.472 1.00 73.21 H new ATOM 0 HD2 LYS A 119 -6.121 1.450 -13.547 1.00 50.31 H new ATOM 0 HD3 LYS A 119 -6.547 0.288 -12.305 1.00 50.31 H new ATOM 0 HE2 LYS A 119 -8.794 -0.004 -13.360 1.00 53.42 H new ATOM 0 HE3 LYS A 119 -8.352 1.144 -14.608 1.00 53.42 H new ATOM 0 HZ1 LYS A 119 -8.037 -1.124 -15.352 1.00 31.53 H new ATOM 0 HZ2 LYS A 119 -6.541 -0.325 -15.280 1.00 31.53 H new ATOM 0 HZ3 LYS A 119 -6.969 -1.437 -14.070 1.00 31.53 H new ATOM 1883 N VAL A 120 -10.698 1.211 -8.935 1.00 71.32 N ATOM 1884 CA VAL A 120 -11.937 0.643 -8.389 1.00 45.15 C ATOM 1885 C VAL A 120 -12.667 1.634 -7.466 1.00 2.55 C ATOM 1886 O VAL A 120 -13.894 1.729 -7.493 1.00 25.14 O ATOM 1887 CB VAL A 120 -11.673 -0.685 -7.630 1.00 21.32 C ATOM 1888 CG1 VAL A 120 -11.143 -1.755 -8.585 1.00 11.12 C ATOM 1889 CG2 VAL A 120 -10.707 -0.472 -6.463 1.00 73.12 C ATOM 0 H VAL A 120 -9.846 0.771 -8.587 1.00 71.32 H new ATOM 0 HA VAL A 120 -12.580 0.434 -9.244 1.00 45.15 H new ATOM 0 HB VAL A 120 -12.621 -1.031 -7.218 1.00 21.32 H new ATOM 0 HG11 VAL A 120 -10.964 -2.678 -8.034 1.00 11.12 H new ATOM 0 HG12 VAL A 120 -11.877 -1.937 -9.370 1.00 11.12 H new ATOM 0 HG13 VAL A 120 -10.210 -1.413 -9.033 1.00 11.12 H new ATOM 0 HG21 VAL A 120 -10.541 -1.420 -5.950 1.00 73.12 H new ATOM 0 HG22 VAL A 120 -9.758 -0.093 -6.841 1.00 73.12 H new ATOM 0 HG23 VAL A 120 -11.133 0.249 -5.765 1.00 73.12 H new ATOM 1899 N THR A 121 -11.916 2.378 -6.657 1.00 51.34 N ATOM 1900 CA THR A 121 -12.515 3.392 -5.778 1.00 63.11 C ATOM 1901 C THR A 121 -13.086 4.560 -6.594 1.00 31.23 C ATOM 1902 O THR A 121 -14.142 5.105 -6.266 1.00 72.13 O ATOM 1903 CB THR A 121 -11.499 3.926 -4.744 1.00 22.31 C ATOM 1904 OG1 THR A 121 -10.319 4.394 -5.408 1.00 23.21 O ATOM 1905 CG2 THR A 121 -11.129 2.842 -3.735 1.00 22.31 C ATOM 0 H THR A 121 -10.901 2.303 -6.588 1.00 51.34 H new ATOM 0 HA THR A 121 -13.327 2.904 -5.239 1.00 63.11 H new ATOM 0 HB THR A 121 -11.963 4.754 -4.208 1.00 22.31 H new ATOM 0 HG1 THR A 121 -9.728 3.636 -5.597 1.00 23.21 H new ATOM 0 HG21 THR A 121 -10.413 3.242 -3.018 1.00 22.31 H new ATOM 0 HG22 THR A 121 -12.025 2.514 -3.208 1.00 22.31 H new ATOM 0 HG23 THR A 121 -10.685 1.995 -4.258 1.00 22.31 H new ATOM 1913 N ALA A 122 -12.387 4.934 -7.663 1.00 42.43 N ATOM 1914 CA ALA A 122 -12.907 5.917 -8.619 1.00 33.51 C ATOM 1915 C ALA A 122 -14.194 5.401 -9.283 1.00 31.31 C ATOM 1916 O ALA A 122 -15.148 6.153 -9.489 1.00 22.44 O ATOM 1917 CB ALA A 122 -11.856 6.240 -9.675 1.00 35.14 C ATOM 0 H ALA A 122 -11.460 4.574 -7.892 1.00 42.43 H new ATOM 0 HA ALA A 122 -13.145 6.831 -8.075 1.00 33.51 H new ATOM 0 HB1 ALA A 122 -12.258 6.971 -10.377 1.00 35.14 H new ATOM 0 HB2 ALA A 122 -10.969 6.650 -9.192 1.00 35.14 H new ATOM 0 HB3 ALA A 122 -11.589 5.330 -10.212 1.00 35.14 H new ATOM 1923 N ASP A 123 -14.206 4.106 -9.601 1.00 2.42 N ATOM 1924 CA ASP A 123 -15.380 3.442 -10.179 1.00 33.21 C ATOM 1925 C ASP A 123 -16.584 3.496 -9.218 1.00 63.13 C ATOM 1926 O ASP A 123 -17.737 3.582 -9.647 1.00 40.14 O ATOM 1927 CB ASP A 123 -15.024 1.989 -10.514 1.00 73.41 C ATOM 1928 CG ASP A 123 -16.150 1.245 -11.206 1.00 43.41 C ATOM 1929 OD1 ASP A 123 -16.362 1.478 -12.415 1.00 40.33 O ATOM 1930 OD2 ASP A 123 -16.819 0.415 -10.551 1.00 3.21 O ATOM 0 H ASP A 123 -13.406 3.488 -9.467 1.00 2.42 H new ATOM 0 HA ASP A 123 -15.667 3.967 -11.090 1.00 33.21 H new ATOM 0 HB2 ASP A 123 -14.141 1.976 -11.153 1.00 73.41 H new ATOM 0 HB3 ASP A 123 -14.761 1.465 -9.595 1.00 73.41 H new ATOM 1935 N ILE A 124 -16.308 3.434 -7.915 1.00 43.44 N ATOM 1936 CA ILE A 124 -17.349 3.601 -6.893 1.00 55.20 C ATOM 1937 C ILE A 124 -17.902 5.040 -6.902 1.00 31.24 C ATOM 1938 O ILE A 124 -19.058 5.280 -6.548 1.00 72.32 O ATOM 1939 CB ILE A 124 -16.802 3.260 -5.477 1.00 33.21 C ATOM 1940 CG1 ILE A 124 -16.286 1.810 -5.436 1.00 4.33 C ATOM 1941 CG2 ILE A 124 -17.875 3.474 -4.406 1.00 4.54 C ATOM 1942 CD1 ILE A 124 -15.665 1.414 -4.111 1.00 71.22 C ATOM 0 H ILE A 124 -15.374 3.270 -7.540 1.00 43.44 H new ATOM 0 HA ILE A 124 -18.157 2.910 -7.133 1.00 55.20 H new ATOM 0 HB ILE A 124 -15.972 3.934 -5.264 1.00 33.21 H new ATOM 0 HG12 ILE A 124 -17.113 1.135 -5.654 1.00 4.33 H new ATOM 0 HG13 ILE A 124 -15.548 1.675 -6.226 1.00 4.33 H new ATOM 0 HG21 ILE A 124 -17.465 3.228 -3.426 1.00 4.54 H new ATOM 0 HG22 ILE A 124 -18.195 4.516 -4.414 1.00 4.54 H new ATOM 0 HG23 ILE A 124 -18.730 2.830 -4.614 1.00 4.54 H new ATOM 0 HD11 ILE A 124 -15.326 0.379 -4.163 1.00 71.22 H new ATOM 0 HD12 ILE A 124 -14.816 2.064 -3.899 1.00 71.22 H new ATOM 0 HD13 ILE A 124 -16.406 1.514 -3.318 1.00 71.22 H new ATOM 1954 N GLY A 125 -17.069 5.991 -7.323 1.00 51.42 N ATOM 1955 CA GLY A 125 -17.484 7.388 -7.393 1.00 22.20 C ATOM 1956 C GLY A 125 -17.223 8.160 -6.103 1.00 30.11 C ATOM 1957 O GLY A 125 -18.072 8.932 -5.650 1.00 15.23 O ATOM 0 H GLY A 125 -16.108 5.819 -7.619 1.00 51.42 H new ATOM 0 HA2 GLY A 125 -16.957 7.876 -8.213 1.00 22.20 H new ATOM 0 HA3 GLY A 125 -18.548 7.433 -7.626 1.00 22.20 H new ATOM 1961 N LEU A 126 -16.049 7.955 -5.508 1.00 3.13 N ATOM 1962 CA LEU A 126 -15.672 8.649 -4.266 1.00 44.23 C ATOM 1963 C LEU A 126 -15.284 10.119 -4.528 1.00 10.02 C ATOM 1964 O LEU A 126 -16.002 11.027 -4.050 1.00 38.98 O ATOM 1965 CB LEU A 126 -14.516 7.915 -3.571 1.00 42.34 C ATOM 1966 CG LEU A 126 -14.823 6.478 -3.114 1.00 34.24 C ATOM 1967 CD1 LEU A 126 -13.617 5.872 -2.397 1.00 74.31 C ATOM 1968 CD2 LEU A 126 -16.059 6.445 -2.214 1.00 2.22 C ATOM 1969 OXT LEU A 126 -14.272 10.361 -5.222 1.00 38.98 O ATOM 0 H LEU A 126 -15.338 7.315 -5.862 1.00 3.13 H new ATOM 0 HA LEU A 126 -16.544 8.645 -3.612 1.00 44.23 H new ATOM 0 HB2 LEU A 126 -13.665 7.887 -4.252 1.00 42.34 H new ATOM 0 HB3 LEU A 126 -14.210 8.497 -2.701 1.00 42.34 H new ATOM 0 HG LEU A 126 -15.033 5.878 -3.999 1.00 34.24 H new ATOM 0 HD11 LEU A 126 -13.854 4.856 -2.082 1.00 74.31 H new ATOM 0 HD12 LEU A 126 -12.763 5.852 -3.074 1.00 74.31 H new ATOM 0 HD13 LEU A 126 -13.372 6.475 -1.523 1.00 74.31 H new ATOM 0 HD21 LEU A 126 -16.256 5.419 -1.904 1.00 2.22 H new ATOM 0 HD22 LEU A 126 -15.884 7.063 -1.333 1.00 2.22 H new ATOM 0 HD23 LEU A 126 -16.919 6.830 -2.763 1.00 2.22 H new TER 1981 LEU A 126