USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1082 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 117 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -115:sc= -0.195 (180deg=-3.73!) USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= -0.118 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.00577 X(o=-0.11,f=-0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.13 (180deg=0.398!) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= -0.0293 (180deg=-0.239) USER MOD Single : A 3 LYS NZ :NH3+ -168:sc= 1.07 (180deg=0.933) USER MOD Single : A 5 LYS NZ :NH3+ -174:sc=-0.000186 (180deg=-0.0503) USER MOD Single : A 7 HIS : no HD1:sc= -0.0866 K(o=-0.087,f=-0.84) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= 0.821 (180deg=0.617) USER MOD Single : A 18 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.0059) USER MOD Single : A 22 SER OG : rot 89:sc= 0.0232 USER MOD Single : A 25 SER OG : rot -78:sc= 1.11 USER MOD Single : A 26 THR OG1 : rot 5:sc= 0.294 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= 0.767 (180deg=0.4) USER MOD Single : A 40 SER OG : rot 170:sc= -0.0358 USER MOD Single : A 43 LYS NZ :NH3+ -143:sc= 0.811 (180deg=-0.231) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 24:sc= 0.187 USER MOD Single : A 54 GLN : amide:sc= -0.422 K(o=-0.42,f=-0.99) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -0.0801 K(o=-0.08,f=-2.2) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 0.717 (180deg=0.704) USER MOD Single : A 86 MET CE :methyl 154:sc= -1.92 (180deg=-2.94!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.566 K(o=0.57,f=0) USER MOD Single : A 92 THR OG1 : rot -99:sc= 0.396 USER MOD Single : A 95 TYR OH : rot 30:sc=-0.00785 USER MOD Single : A 100 THR OG1 : rot 95:sc= 0.524 USER MOD Single : A 103 SER OG : rot 85:sc= 0.464 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.8!) USER MOD Single : A 120 SER OG : rot 92:sc= 0.165 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot -9:sc= 1.21 USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.76) USER MOD Single : A 133 HIS : no HD1:sc= -0.034 X(o=-0.034,f=-0.099) USER MOD Single : A 134 HIS : no HD1:sc= -0.0235 X(o=-0.024,f=-0.00073) USER MOD Single : A 135 HIS : no HE2:sc= 0.523 K(o=0.52,f=-1.8!) USER MOD Single : A 136 HIS : no HE2:sc= 0 K(o=0,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.115 23.702 -3.247 1.00 55.23 N ATOM 2 CA MET A 1 -4.168 24.278 -4.239 1.00 15.55 C ATOM 3 C MET A 1 -2.972 23.318 -4.450 1.00 62.54 C ATOM 4 O MET A 1 -2.679 22.911 -5.580 1.00 55.12 O ATOM 5 CB MET A 1 -3.683 25.680 -3.774 1.00 43.44 C ATOM 6 CG MET A 1 -4.802 26.725 -3.605 1.00 52.11 C ATOM 7 SD MET A 1 -6.036 26.240 -2.373 1.00 22.43 S ATOM 8 CE MET A 1 -7.247 27.561 -2.503 1.00 62.23 C ATOM 0 H1 MET A 1 -5.769 24.442 -2.921 1.00 55.23 H new ATOM 0 H2 MET A 1 -5.656 22.932 -3.690 1.00 55.23 H new ATOM 0 H3 MET A 1 -4.583 23.328 -2.435 1.00 55.23 H new ATOM 0 HA MET A 1 -4.683 24.399 -5.192 1.00 15.55 H new ATOM 0 HB2 MET A 1 -3.159 25.572 -2.824 1.00 43.44 H new ATOM 0 HB3 MET A 1 -2.959 26.057 -4.496 1.00 43.44 H new ATOM 0 HG2 MET A 1 -4.361 27.679 -3.315 1.00 52.11 H new ATOM 0 HG3 MET A 1 -5.295 26.881 -4.565 1.00 52.11 H new ATOM 0 HE1 MET A 1 -8.058 27.382 -1.797 1.00 62.23 H new ATOM 0 HE2 MET A 1 -6.771 28.515 -2.274 1.00 62.23 H new ATOM 0 HE3 MET A 1 -7.647 27.589 -3.516 1.00 62.23 H new ATOM 20 N LYS A 2 -2.300 22.954 -3.341 1.00 44.10 N ATOM 21 CA LYS A 2 -1.191 21.964 -3.335 1.00 2.33 C ATOM 22 C LYS A 2 -1.581 20.710 -2.505 1.00 11.44 C ATOM 23 O LYS A 2 -2.084 20.839 -1.388 1.00 35.53 O ATOM 24 CB LYS A 2 0.108 22.606 -2.774 1.00 43.31 C ATOM 25 CG LYS A 2 -0.066 23.354 -1.430 1.00 3.44 C ATOM 26 CD LYS A 2 1.276 23.717 -0.759 1.00 34.24 C ATOM 27 CE LYS A 2 2.043 22.471 -0.270 1.00 20.12 C ATOM 28 NZ LYS A 2 1.251 21.668 0.704 1.00 20.11 N ATOM 0 H LYS A 2 -2.507 23.336 -2.418 1.00 44.10 H new ATOM 0 HA LYS A 2 -1.005 21.651 -4.362 1.00 2.33 H new ATOM 0 HB2 LYS A 2 0.856 21.824 -2.644 1.00 43.31 H new ATOM 0 HB3 LYS A 2 0.501 23.304 -3.514 1.00 43.31 H new ATOM 0 HG2 LYS A 2 -0.638 24.266 -1.600 1.00 3.44 H new ATOM 0 HG3 LYS A 2 -0.649 22.734 -0.749 1.00 3.44 H new ATOM 0 HD2 LYS A 2 1.896 24.268 -1.466 1.00 34.24 H new ATOM 0 HD3 LYS A 2 1.090 24.381 0.085 1.00 34.24 H new ATOM 0 HE2 LYS A 2 2.303 21.848 -1.126 1.00 20.12 H new ATOM 0 HE3 LYS A 2 2.979 22.782 0.194 1.00 20.12 H new ATOM 0 HZ1 LYS A 2 1.875 20.987 1.181 1.00 20.11 H new ATOM 0 HZ2 LYS A 2 0.825 22.301 1.411 1.00 20.11 H new ATOM 0 HZ3 LYS A 2 0.499 21.155 0.201 1.00 20.11 H new ATOM 42 N LYS A 3 -1.350 19.505 -3.069 1.00 45.50 N ATOM 43 CA LYS A 3 -1.641 18.203 -2.397 1.00 2.44 C ATOM 44 C LYS A 3 -1.027 18.118 -0.975 1.00 21.00 C ATOM 45 O LYS A 3 0.060 18.650 -0.722 1.00 50.12 O ATOM 46 CB LYS A 3 -1.093 17.039 -3.264 1.00 23.33 C ATOM 47 CG LYS A 3 -1.808 16.834 -4.628 1.00 75.43 C ATOM 48 CD LYS A 3 -2.979 15.819 -4.569 1.00 44.22 C ATOM 49 CE LYS A 3 -3.534 15.479 -5.963 1.00 52.20 C ATOM 50 NZ LYS A 3 -4.444 14.306 -5.939 1.00 74.05 N ATOM 0 H LYS A 3 -0.956 19.399 -4.004 1.00 45.50 H new ATOM 0 HA LYS A 3 -2.723 18.127 -2.292 1.00 2.44 H new ATOM 0 HB2 LYS A 3 -0.033 17.214 -3.451 1.00 23.33 H new ATOM 0 HB3 LYS A 3 -1.167 16.115 -2.691 1.00 23.33 H new ATOM 0 HG2 LYS A 3 -2.188 17.794 -4.978 1.00 75.43 H new ATOM 0 HG3 LYS A 3 -1.079 16.493 -5.363 1.00 75.43 H new ATOM 0 HD2 LYS A 3 -2.639 14.904 -4.084 1.00 44.22 H new ATOM 0 HD3 LYS A 3 -3.779 16.228 -3.952 1.00 44.22 H new ATOM 0 HE2 LYS A 3 -4.069 16.342 -6.359 1.00 52.20 H new ATOM 0 HE3 LYS A 3 -2.705 15.279 -6.642 1.00 52.20 H new ATOM 0 HZ1 LYS A 3 -4.630 13.991 -6.913 1.00 74.05 H new ATOM 0 HZ2 LYS A 3 -4.000 13.533 -5.404 1.00 74.05 H new ATOM 0 HZ3 LYS A 3 -5.341 14.571 -5.484 1.00 74.05 H new ATOM 64 N GLU A 4 -1.751 17.460 -0.060 1.00 12.23 N ATOM 65 CA GLU A 4 -1.297 17.221 1.326 1.00 51.22 C ATOM 66 C GLU A 4 -0.832 15.755 1.496 1.00 12.33 C ATOM 67 O GLU A 4 -1.523 14.824 1.068 1.00 24.31 O ATOM 68 CB GLU A 4 -2.449 17.543 2.312 1.00 51.41 C ATOM 69 CG GLU A 4 -2.115 17.310 3.800 1.00 44.31 C ATOM 70 CD GLU A 4 -3.303 17.594 4.742 1.00 43.20 C ATOM 71 OE1 GLU A 4 -4.250 16.778 4.786 1.00 65.20 O ATOM 72 OE2 GLU A 4 -3.311 18.636 5.434 1.00 63.34 O ATOM 0 H GLU A 4 -2.674 17.074 -0.257 1.00 12.23 H new ATOM 0 HA GLU A 4 -0.451 17.873 1.543 1.00 51.22 H new ATOM 0 HB2 GLU A 4 -2.741 18.585 2.179 1.00 51.41 H new ATOM 0 HB3 GLU A 4 -3.314 16.934 2.049 1.00 51.41 H new ATOM 0 HG2 GLU A 4 -1.791 16.278 3.936 1.00 44.31 H new ATOM 0 HG3 GLU A 4 -1.276 17.947 4.081 1.00 44.31 H new ATOM 79 N LYS A 5 0.351 15.570 2.110 1.00 21.43 N ATOM 80 CA LYS A 5 0.884 14.239 2.449 1.00 73.22 C ATOM 81 C LYS A 5 0.147 13.698 3.696 1.00 10.31 C ATOM 82 O LYS A 5 0.112 14.355 4.745 1.00 62.25 O ATOM 83 CB LYS A 5 2.429 14.331 2.677 1.00 14.14 C ATOM 84 CG LYS A 5 3.193 12.976 2.797 1.00 0.30 C ATOM 85 CD LYS A 5 3.156 12.322 4.206 1.00 32.42 C ATOM 86 CE LYS A 5 3.837 13.175 5.290 1.00 5.34 C ATOM 87 NZ LYS A 5 5.272 13.443 4.986 1.00 42.33 N ATOM 0 H LYS A 5 0.963 16.338 2.385 1.00 21.43 H new ATOM 0 HA LYS A 5 0.714 13.543 1.628 1.00 73.22 H new ATOM 0 HB2 LYS A 5 2.863 14.896 1.852 1.00 14.14 H new ATOM 0 HB3 LYS A 5 2.607 14.905 3.586 1.00 14.14 H new ATOM 0 HG2 LYS A 5 2.773 12.274 2.077 1.00 0.30 H new ATOM 0 HG3 LYS A 5 4.234 13.137 2.515 1.00 0.30 H new ATOM 0 HD2 LYS A 5 2.119 12.146 4.490 1.00 32.42 H new ATOM 0 HD3 LYS A 5 3.644 11.348 4.160 1.00 32.42 H new ATOM 0 HE2 LYS A 5 3.307 14.122 5.389 1.00 5.34 H new ATOM 0 HE3 LYS A 5 3.761 12.665 6.250 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 5.712 13.933 5.791 1.00 42.33 H new ATOM 0 HZ2 LYS A 5 5.765 12.543 4.817 1.00 42.33 H new ATOM 0 HZ3 LYS A 5 5.341 14.041 4.138 1.00 42.33 H new ATOM 101 N ILE A 6 -0.416 12.488 3.573 1.00 53.35 N ATOM 102 CA ILE A 6 -1.208 11.832 4.638 1.00 2.22 C ATOM 103 C ILE A 6 -0.776 10.350 4.766 1.00 24.41 C ATOM 104 O ILE A 6 -0.749 9.607 3.781 1.00 31.03 O ATOM 105 CB ILE A 6 -2.774 11.944 4.384 1.00 21.45 C ATOM 106 CG1 ILE A 6 -3.189 11.293 3.020 1.00 61.44 C ATOM 107 CG2 ILE A 6 -3.246 13.420 4.461 1.00 13.43 C ATOM 108 CD1 ILE A 6 -4.661 11.410 2.648 1.00 51.13 C ATOM 0 H ILE A 6 -0.337 11.927 2.725 1.00 53.35 H new ATOM 0 HA ILE A 6 -1.007 12.353 5.574 1.00 2.22 H new ATOM 0 HB ILE A 6 -3.272 11.386 5.177 1.00 21.45 H new ATOM 0 HG12 ILE A 6 -2.596 11.749 2.227 1.00 61.44 H new ATOM 0 HG13 ILE A 6 -2.924 10.236 3.049 1.00 61.44 H new ATOM 0 HG21 ILE A 6 -4.320 13.468 4.284 1.00 13.43 H new ATOM 0 HG22 ILE A 6 -3.023 13.822 5.449 1.00 13.43 H new ATOM 0 HG23 ILE A 6 -2.727 14.008 3.704 1.00 13.43 H new ATOM 0 HD11 ILE A 6 -4.833 10.925 1.687 1.00 51.13 H new ATOM 0 HD12 ILE A 6 -5.269 10.926 3.412 1.00 51.13 H new ATOM 0 HD13 ILE A 6 -4.936 12.462 2.578 1.00 51.13 H new ATOM 120 N HIS A 7 -0.356 9.943 5.975 1.00 73.33 N ATOM 121 CA HIS A 7 -0.052 8.525 6.265 1.00 3.33 C ATOM 122 C HIS A 7 -1.287 7.846 6.912 1.00 4.34 C ATOM 123 O HIS A 7 -1.715 8.222 8.004 1.00 73.52 O ATOM 124 CB HIS A 7 1.234 8.395 7.134 1.00 55.44 C ATOM 125 CG HIS A 7 1.153 8.902 8.559 1.00 62.22 C ATOM 126 ND1 HIS A 7 1.251 8.074 9.659 1.00 5.14 N ATOM 127 CD2 HIS A 7 1.019 10.155 9.062 1.00 23.45 C ATOM 128 CE1 HIS A 7 1.180 8.784 10.760 1.00 63.24 C ATOM 129 NE2 HIS A 7 1.040 10.049 10.431 1.00 11.20 N ATOM 0 H HIS A 7 -0.218 10.570 6.767 1.00 73.33 H new ATOM 0 HA HIS A 7 0.159 8.001 5.333 1.00 3.33 H new ATOM 0 HB2 HIS A 7 1.518 7.343 7.164 1.00 55.44 H new ATOM 0 HB3 HIS A 7 2.040 8.929 6.630 1.00 55.44 H new ATOM 0 HD2 HIS A 7 0.915 11.066 8.492 1.00 23.45 H new ATOM 0 HE1 HIS A 7 1.228 8.395 11.766 1.00 63.24 H new ATOM 0 HE2 HIS A 7 0.960 10.826 11.087 1.00 11.20 H new ATOM 138 N LEU A 8 -1.869 6.853 6.220 1.00 41.10 N ATOM 139 CA LEU A 8 -3.109 6.188 6.665 1.00 11.03 C ATOM 140 C LEU A 8 -2.754 4.887 7.420 1.00 44.11 C ATOM 141 O LEU A 8 -2.178 3.957 6.845 1.00 4.33 O ATOM 142 CB LEU A 8 -4.056 5.856 5.463 1.00 31.24 C ATOM 143 CG LEU A 8 -4.563 7.048 4.573 1.00 12.15 C ATOM 144 CD1 LEU A 8 -5.069 8.233 5.418 1.00 42.24 C ATOM 145 CD2 LEU A 8 -3.503 7.490 3.539 1.00 13.42 C ATOM 0 H LEU A 8 -1.498 6.489 5.342 1.00 41.10 H new ATOM 0 HA LEU A 8 -3.638 6.874 7.326 1.00 11.03 H new ATOM 0 HB2 LEU A 8 -3.537 5.151 4.813 1.00 31.24 H new ATOM 0 HB3 LEU A 8 -4.930 5.340 5.859 1.00 31.24 H new ATOM 0 HG LEU A 8 -5.420 6.674 4.012 1.00 12.15 H new ATOM 0 HD11 LEU A 8 -5.409 9.032 4.758 1.00 42.24 H new ATOM 0 HD12 LEU A 8 -5.897 7.905 6.046 1.00 42.24 H new ATOM 0 HD13 LEU A 8 -4.260 8.602 6.048 1.00 42.24 H new ATOM 0 HD21 LEU A 8 -3.896 8.316 2.946 1.00 13.42 H new ATOM 0 HD22 LEU A 8 -2.601 7.813 4.058 1.00 13.42 H new ATOM 0 HD23 LEU A 8 -3.264 6.653 2.883 1.00 13.42 H new ATOM 157 N GLU A 9 -3.095 4.858 8.719 1.00 23.03 N ATOM 158 CA GLU A 9 -2.823 3.726 9.616 1.00 45.21 C ATOM 159 C GLU A 9 -4.015 2.744 9.656 1.00 31.30 C ATOM 160 O GLU A 9 -5.159 3.139 9.922 1.00 13.24 O ATOM 161 CB GLU A 9 -2.508 4.243 11.045 1.00 12.32 C ATOM 162 CG GLU A 9 -2.192 3.132 12.072 1.00 32.11 C ATOM 163 CD GLU A 9 -1.936 3.665 13.493 1.00 65.20 C ATOM 164 OE1 GLU A 9 -0.815 4.141 13.765 1.00 25.32 O ATOM 165 OE2 GLU A 9 -2.852 3.607 14.347 1.00 60.44 O ATOM 0 H GLU A 9 -3.574 5.631 9.180 1.00 23.03 H new ATOM 0 HA GLU A 9 -1.957 3.189 9.230 1.00 45.21 H new ATOM 0 HB2 GLU A 9 -1.659 4.924 10.992 1.00 12.32 H new ATOM 0 HB3 GLU A 9 -3.359 4.822 11.404 1.00 12.32 H new ATOM 0 HG2 GLU A 9 -3.023 2.428 12.101 1.00 32.11 H new ATOM 0 HG3 GLU A 9 -1.316 2.577 11.737 1.00 32.11 H new ATOM 172 N TYR A 10 -3.727 1.467 9.365 1.00 75.33 N ATOM 173 CA TYR A 10 -4.694 0.358 9.458 1.00 31.15 C ATOM 174 C TYR A 10 -4.195 -0.672 10.500 1.00 32.44 C ATOM 175 O TYR A 10 -3.032 -1.100 10.439 1.00 3.23 O ATOM 176 CB TYR A 10 -4.844 -0.316 8.064 1.00 4.44 C ATOM 177 CG TYR A 10 -5.118 0.663 6.903 1.00 41.43 C ATOM 178 CD1 TYR A 10 -6.391 1.195 6.681 1.00 34.51 C ATOM 179 CD2 TYR A 10 -4.096 1.054 6.030 1.00 52.43 C ATOM 180 CE1 TYR A 10 -6.631 2.072 5.631 1.00 14.33 C ATOM 181 CE2 TYR A 10 -4.335 1.930 4.985 1.00 62.35 C ATOM 182 CZ TYR A 10 -5.602 2.436 4.788 1.00 11.02 C ATOM 183 OH TYR A 10 -5.841 3.301 3.736 1.00 21.14 O ATOM 0 H TYR A 10 -2.803 1.169 9.054 1.00 75.33 H new ATOM 0 HA TYR A 10 -5.665 0.740 9.773 1.00 31.15 H new ATOM 0 HB2 TYR A 10 -3.933 -0.873 7.845 1.00 4.44 H new ATOM 0 HB3 TYR A 10 -5.657 -1.040 8.111 1.00 4.44 H new ATOM 0 HD1 TYR A 10 -7.203 0.919 7.338 1.00 34.51 H new ATOM 0 HD2 TYR A 10 -3.099 0.664 6.175 1.00 52.43 H new ATOM 0 HE1 TYR A 10 -7.623 2.469 5.475 1.00 14.33 H new ATOM 0 HE2 TYR A 10 -3.530 2.217 4.325 1.00 62.35 H new ATOM 0 HH TYR A 10 -5.008 3.453 3.242 1.00 21.14 H new ATOM 193 N LEU A 11 -5.060 -1.064 11.460 1.00 35.45 N ATOM 194 CA LEU A 11 -4.693 -2.079 12.479 1.00 70.13 C ATOM 195 C LEU A 11 -4.955 -3.512 11.937 1.00 51.40 C ATOM 196 O LEU A 11 -6.100 -3.942 11.752 1.00 41.52 O ATOM 197 CB LEU A 11 -5.393 -1.829 13.870 1.00 33.31 C ATOM 198 CG LEU A 11 -6.929 -2.138 14.032 1.00 73.40 C ATOM 199 CD1 LEU A 11 -7.376 -1.997 15.504 1.00 1.12 C ATOM 200 CD2 LEU A 11 -7.805 -1.263 13.112 1.00 15.34 C ATOM 0 H LEU A 11 -6.008 -0.699 11.553 1.00 35.45 H new ATOM 0 HA LEU A 11 -3.624 -1.980 12.669 1.00 70.13 H new ATOM 0 HB2 LEU A 11 -4.861 -2.421 14.615 1.00 33.31 H new ATOM 0 HB3 LEU A 11 -5.242 -0.781 14.128 1.00 33.31 H new ATOM 0 HG LEU A 11 -7.072 -3.174 13.725 1.00 73.40 H new ATOM 0 HD11 LEU A 11 -8.441 -2.216 15.584 1.00 1.12 H new ATOM 0 HD12 LEU A 11 -6.814 -2.696 16.123 1.00 1.12 H new ATOM 0 HD13 LEU A 11 -7.189 -0.979 15.845 1.00 1.12 H new ATOM 0 HD21 LEU A 11 -8.855 -1.515 13.262 1.00 15.34 H new ATOM 0 HD22 LEU A 11 -7.646 -0.211 13.351 1.00 15.34 H new ATOM 0 HD23 LEU A 11 -7.534 -1.443 12.072 1.00 15.34 H new ATOM 212 N LEU A 12 -3.864 -4.224 11.602 1.00 1.32 N ATOM 213 CA LEU A 12 -3.928 -5.632 11.141 1.00 43.41 C ATOM 214 C LEU A 12 -3.667 -6.588 12.315 1.00 73.23 C ATOM 215 O LEU A 12 -2.755 -6.365 13.116 1.00 32.00 O ATOM 216 CB LEU A 12 -2.934 -5.893 9.961 1.00 0.22 C ATOM 217 CG LEU A 12 -3.468 -5.545 8.532 1.00 74.45 C ATOM 218 CD1 LEU A 12 -4.685 -6.425 8.169 1.00 34.33 C ATOM 219 CD2 LEU A 12 -3.801 -4.046 8.397 1.00 0.05 C ATOM 0 H LEU A 12 -2.917 -3.847 11.641 1.00 1.32 H new ATOM 0 HA LEU A 12 -4.932 -5.822 10.761 1.00 43.41 H new ATOM 0 HB2 LEU A 12 -2.027 -5.315 10.140 1.00 0.22 H new ATOM 0 HB3 LEU A 12 -2.650 -6.945 9.976 1.00 0.22 H new ATOM 0 HG LEU A 12 -2.671 -5.762 7.821 1.00 74.45 H new ATOM 0 HD11 LEU A 12 -5.038 -6.164 7.171 1.00 34.33 H new ATOM 0 HD12 LEU A 12 -4.393 -7.475 8.188 1.00 34.33 H new ATOM 0 HD13 LEU A 12 -5.484 -6.257 8.892 1.00 34.33 H new ATOM 0 HD21 LEU A 12 -4.169 -3.844 7.391 1.00 0.05 H new ATOM 0 HD22 LEU A 12 -4.567 -3.777 9.124 1.00 0.05 H new ATOM 0 HD23 LEU A 12 -2.903 -3.456 8.580 1.00 0.05 H new ATOM 231 N ASN A 13 -4.485 -7.647 12.398 1.00 53.12 N ATOM 232 CA ASN A 13 -4.442 -8.618 13.508 1.00 63.01 C ATOM 233 C ASN A 13 -3.138 -9.456 13.508 1.00 12.14 C ATOM 234 O ASN A 13 -2.505 -9.639 12.465 1.00 72.24 O ATOM 235 CB ASN A 13 -5.687 -9.540 13.457 1.00 72.14 C ATOM 236 CG ASN A 13 -7.014 -8.781 13.629 1.00 33.11 C ATOM 237 OD1 ASN A 13 -7.160 -7.638 13.211 1.00 14.44 O ATOM 238 ND2 ASN A 13 -7.994 -9.410 14.248 1.00 62.54 N ATOM 0 H ASN A 13 -5.197 -7.857 11.698 1.00 53.12 H new ATOM 0 HA ASN A 13 -4.453 -8.052 14.439 1.00 63.01 H new ATOM 0 HB2 ASN A 13 -5.700 -10.069 12.504 1.00 72.14 H new ATOM 0 HB3 ASN A 13 -5.604 -10.295 14.239 1.00 72.14 H new ATOM 0 HD21 ASN A 13 -8.892 -8.945 14.386 1.00 62.54 H new ATOM 0 HD22 ASN A 13 -7.854 -10.361 14.589 1.00 62.54 H new ATOM 245 N ALA A 14 -2.768 -9.967 14.699 1.00 15.11 N ATOM 246 CA ALA A 14 -1.549 -10.799 14.909 1.00 4.33 C ATOM 247 C ALA A 14 -1.544 -12.113 14.069 1.00 14.11 C ATOM 248 O ALA A 14 -0.491 -12.731 13.870 1.00 15.32 O ATOM 249 CB ALA A 14 -1.415 -11.116 16.406 1.00 54.55 C ATOM 0 H ALA A 14 -3.305 -9.817 15.553 1.00 15.11 H new ATOM 0 HA ALA A 14 -0.693 -10.221 14.562 1.00 4.33 H new ATOM 0 HB1 ALA A 14 -0.526 -11.725 16.571 1.00 54.55 H new ATOM 0 HB2 ALA A 14 -1.328 -10.186 16.968 1.00 54.55 H new ATOM 0 HB3 ALA A 14 -2.296 -11.662 16.743 1.00 54.55 H new ATOM 255 N THR A 15 -2.740 -12.536 13.611 1.00 41.10 N ATOM 256 CA THR A 15 -2.908 -13.666 12.661 1.00 34.51 C ATOM 257 C THR A 15 -2.199 -13.380 11.312 1.00 43.02 C ATOM 258 O THR A 15 -1.569 -14.262 10.722 1.00 42.54 O ATOM 259 CB THR A 15 -4.429 -13.943 12.395 1.00 30.45 C ATOM 260 OG1 THR A 15 -5.104 -14.176 13.638 1.00 32.11 O ATOM 261 CG2 THR A 15 -4.666 -15.148 11.466 1.00 34.25 C ATOM 0 H THR A 15 -3.622 -12.105 13.888 1.00 41.10 H new ATOM 0 HA THR A 15 -2.452 -14.544 13.118 1.00 34.51 H new ATOM 0 HB THR A 15 -4.826 -13.059 11.896 1.00 30.45 H new ATOM 0 HG1 THR A 15 -6.054 -14.347 13.467 1.00 32.11 H new ATOM 0 HG21 THR A 15 -5.737 -15.290 11.320 1.00 34.25 H new ATOM 0 HG22 THR A 15 -4.189 -14.964 10.503 1.00 34.25 H new ATOM 0 HG23 THR A 15 -4.240 -16.044 11.917 1.00 34.25 H new ATOM 269 N SER A 16 -2.318 -12.127 10.852 1.00 13.12 N ATOM 270 CA SER A 16 -1.740 -11.659 9.576 1.00 30.41 C ATOM 271 C SER A 16 -0.260 -11.236 9.749 1.00 65.22 C ATOM 272 O SER A 16 0.070 -10.476 10.661 1.00 72.21 O ATOM 273 CB SER A 16 -2.576 -10.474 9.044 1.00 42.32 C ATOM 274 OG SER A 16 -3.929 -10.849 8.819 1.00 3.22 O ATOM 0 H SER A 16 -2.823 -11.399 11.358 1.00 13.12 H new ATOM 0 HA SER A 16 -1.766 -12.480 8.860 1.00 30.41 H new ATOM 0 HB2 SER A 16 -2.539 -9.652 9.759 1.00 42.32 H new ATOM 0 HB3 SER A 16 -2.140 -10.108 8.115 1.00 42.32 H new ATOM 0 HG SER A 16 -4.431 -10.077 8.485 1.00 3.22 H new ATOM 280 N LYS A 17 0.616 -11.734 8.852 1.00 42.42 N ATOM 281 CA LYS A 17 2.075 -11.448 8.871 1.00 60.43 C ATOM 282 C LYS A 17 2.425 -10.248 7.952 1.00 45.40 C ATOM 283 O LYS A 17 1.544 -9.519 7.496 1.00 10.35 O ATOM 284 CB LYS A 17 2.889 -12.714 8.436 1.00 13.33 C ATOM 285 CG LYS A 17 2.910 -13.890 9.450 1.00 45.12 C ATOM 286 CD LYS A 17 1.555 -14.630 9.583 1.00 74.12 C ATOM 287 CE LYS A 17 1.609 -15.806 10.576 1.00 5.20 C ATOM 288 NZ LYS A 17 0.304 -16.511 10.667 1.00 31.54 N ATOM 0 H LYS A 17 0.335 -12.349 8.089 1.00 42.42 H new ATOM 0 HA LYS A 17 2.348 -11.185 9.893 1.00 60.43 H new ATOM 0 HB2 LYS A 17 2.479 -13.079 7.494 1.00 13.33 H new ATOM 0 HB3 LYS A 17 3.917 -12.411 8.240 1.00 13.33 H new ATOM 0 HG2 LYS A 17 3.675 -14.605 9.146 1.00 45.12 H new ATOM 0 HG3 LYS A 17 3.201 -13.508 10.428 1.00 45.12 H new ATOM 0 HD2 LYS A 17 0.791 -13.923 9.906 1.00 74.12 H new ATOM 0 HD3 LYS A 17 1.252 -15.001 8.604 1.00 74.12 H new ATOM 0 HE2 LYS A 17 2.381 -16.509 10.265 1.00 5.20 H new ATOM 0 HE3 LYS A 17 1.892 -15.437 11.562 1.00 5.20 H new ATOM 0 HZ1 LYS A 17 0.283 -17.093 11.528 1.00 31.54 H new ATOM 0 HZ2 LYS A 17 -0.466 -15.813 10.703 1.00 31.54 H new ATOM 0 HZ3 LYS A 17 0.180 -17.121 9.834 1.00 31.54 H new ATOM 302 N ASN A 18 3.736 -10.043 7.707 1.00 73.14 N ATOM 303 CA ASN A 18 4.238 -8.979 6.800 1.00 23.31 C ATOM 304 C ASN A 18 3.924 -9.259 5.307 1.00 55.24 C ATOM 305 O ASN A 18 3.826 -8.325 4.503 1.00 52.53 O ATOM 306 CB ASN A 18 5.756 -8.750 7.001 1.00 15.25 C ATOM 307 CG ASN A 18 6.624 -9.927 6.565 1.00 61.23 C ATOM 308 OD1 ASN A 18 7.049 -10.011 5.416 1.00 10.54 O ATOM 309 ND2 ASN A 18 6.905 -10.837 7.470 1.00 41.14 N ATOM 0 H ASN A 18 4.476 -10.605 8.128 1.00 73.14 H new ATOM 0 HA ASN A 18 3.703 -8.069 7.070 1.00 23.31 H new ATOM 0 HB2 ASN A 18 6.056 -7.864 6.442 1.00 15.25 H new ATOM 0 HB3 ASN A 18 5.945 -8.542 8.054 1.00 15.25 H new ATOM 0 HD21 ASN A 18 7.489 -11.637 7.225 1.00 41.14 H new ATOM 0 HD22 ASN A 18 6.539 -10.744 8.418 1.00 41.14 H new ATOM 316 N ILE A 19 3.786 -10.554 4.959 1.00 43.41 N ATOM 317 CA ILE A 19 3.629 -11.038 3.561 1.00 32.25 C ATOM 318 C ILE A 19 2.461 -10.318 2.807 1.00 33.42 C ATOM 319 O ILE A 19 2.515 -10.195 1.583 1.00 30.40 O ATOM 320 CB ILE A 19 3.457 -12.625 3.514 1.00 34.43 C ATOM 321 CG1 ILE A 19 4.761 -13.389 3.981 1.00 11.31 C ATOM 322 CG2 ILE A 19 3.047 -13.135 2.106 1.00 23.43 C ATOM 323 CD1 ILE A 19 5.095 -13.316 5.457 1.00 41.33 C ATOM 0 H ILE A 19 3.780 -11.308 5.646 1.00 43.41 H new ATOM 0 HA ILE A 19 4.548 -10.782 3.034 1.00 32.25 H new ATOM 0 HB ILE A 19 2.652 -12.845 4.215 1.00 34.43 H new ATOM 0 HG12 ILE A 19 4.658 -14.439 3.706 1.00 11.31 H new ATOM 0 HG13 ILE A 19 5.608 -12.994 3.420 1.00 11.31 H new ATOM 0 HG21 ILE A 19 2.943 -14.220 2.128 1.00 23.43 H new ATOM 0 HG22 ILE A 19 2.097 -12.685 1.819 1.00 23.43 H new ATOM 0 HG23 ILE A 19 3.813 -12.858 1.382 1.00 23.43 H new ATOM 0 HD11 ILE A 19 6.009 -13.878 5.651 1.00 41.33 H new ATOM 0 HD12 ILE A 19 5.240 -12.275 5.746 1.00 41.33 H new ATOM 0 HD13 ILE A 19 4.277 -13.743 6.037 1.00 41.33 H new ATOM 335 N LEU A 20 1.464 -9.787 3.570 1.00 53.33 N ATOM 336 CA LEU A 20 0.281 -9.046 3.025 1.00 50.43 C ATOM 337 C LEU A 20 0.672 -8.029 1.912 1.00 70.31 C ATOM 338 O LEU A 20 0.325 -8.195 0.739 1.00 71.22 O ATOM 339 CB LEU A 20 -0.407 -8.246 4.172 1.00 74.45 C ATOM 340 CG LEU A 20 -0.908 -9.047 5.405 1.00 62.23 C ATOM 341 CD1 LEU A 20 -1.345 -8.081 6.529 1.00 74.33 C ATOM 342 CD2 LEU A 20 -2.040 -10.032 5.025 1.00 13.13 C ATOM 0 H LEU A 20 1.455 -9.860 4.587 1.00 53.33 H new ATOM 0 HA LEU A 20 -0.386 -9.794 2.596 1.00 50.43 H new ATOM 0 HB2 LEU A 20 0.296 -7.491 4.524 1.00 74.45 H new ATOM 0 HB3 LEU A 20 -1.259 -7.715 3.747 1.00 74.45 H new ATOM 0 HG LEU A 20 -0.081 -9.651 5.778 1.00 62.23 H new ATOM 0 HD11 LEU A 20 -1.694 -8.655 7.387 1.00 74.33 H new ATOM 0 HD12 LEU A 20 -0.498 -7.462 6.826 1.00 74.33 H new ATOM 0 HD13 LEU A 20 -2.151 -7.443 6.167 1.00 74.33 H new ATOM 0 HD21 LEU A 20 -2.364 -10.574 5.913 1.00 13.13 H new ATOM 0 HD22 LEU A 20 -2.882 -9.477 4.611 1.00 13.13 H new ATOM 0 HD23 LEU A 20 -1.672 -10.740 4.282 1.00 13.13 H new ATOM 354 N TRP A 21 1.437 -6.999 2.314 1.00 11.11 N ATOM 355 CA TRP A 21 1.923 -5.935 1.418 1.00 21.10 C ATOM 356 C TRP A 21 3.379 -6.164 0.985 1.00 2.14 C ATOM 357 O TRP A 21 3.852 -5.493 0.087 1.00 23.54 O ATOM 358 CB TRP A 21 1.755 -4.551 2.077 1.00 31.12 C ATOM 359 CG TRP A 21 0.324 -4.048 2.107 1.00 4.13 C ATOM 360 CD1 TRP A 21 -0.607 -4.231 3.091 1.00 71.44 C ATOM 361 CD2 TRP A 21 -0.324 -3.260 1.094 1.00 64.41 C ATOM 362 NE1 TRP A 21 -1.768 -3.571 2.768 1.00 15.52 N ATOM 363 CE2 TRP A 21 -1.621 -2.975 1.546 1.00 11.33 C ATOM 364 CE3 TRP A 21 0.083 -2.759 -0.148 1.00 12.22 C ATOM 365 CZ2 TRP A 21 -2.517 -2.207 0.804 1.00 40.30 C ATOM 366 CZ3 TRP A 21 -0.806 -2.005 -0.889 1.00 53.12 C ATOM 367 CH2 TRP A 21 -2.093 -1.730 -0.409 1.00 51.51 C ATOM 0 H TRP A 21 1.739 -6.881 3.281 1.00 11.11 H new ATOM 0 HA TRP A 21 1.313 -5.967 0.515 1.00 21.10 H new ATOM 0 HB2 TRP A 21 2.133 -4.599 3.098 1.00 31.12 H new ATOM 0 HB3 TRP A 21 2.371 -3.829 1.542 1.00 31.12 H new ATOM 0 HD1 TRP A 21 -0.453 -4.809 3.990 1.00 71.44 H new ATOM 0 HE1 TRP A 21 -2.606 -3.532 3.348 1.00 15.52 H new ATOM 0 HE3 TRP A 21 1.077 -2.959 -0.521 1.00 12.22 H new ATOM 0 HZ2 TRP A 21 -3.510 -1.995 1.172 1.00 40.30 H new ATOM 0 HZ3 TRP A 21 -0.504 -1.622 -1.853 1.00 53.12 H new ATOM 0 HH2 TRP A 21 -2.764 -1.131 -1.006 1.00 51.51 H new ATOM 378 N SER A 22 4.111 -7.080 1.647 1.00 64.12 N ATOM 379 CA SER A 22 5.463 -7.490 1.167 1.00 25.22 C ATOM 380 C SER A 22 5.356 -8.284 -0.170 1.00 72.44 C ATOM 381 O SER A 22 6.326 -8.389 -0.921 1.00 55.21 O ATOM 382 CB SER A 22 6.208 -8.321 2.241 1.00 24.34 C ATOM 383 OG SER A 22 7.544 -8.607 1.852 1.00 61.42 O ATOM 0 H SER A 22 3.805 -7.548 2.500 1.00 64.12 H new ATOM 0 HA SER A 22 6.042 -6.585 0.982 1.00 25.22 H new ATOM 0 HB2 SER A 22 6.213 -7.775 3.184 1.00 24.34 H new ATOM 0 HB3 SER A 22 5.672 -9.254 2.415 1.00 24.34 H new ATOM 0 HG SER A 22 8.134 -7.886 2.154 1.00 61.42 H new ATOM 389 N ALA A 23 4.140 -8.808 -0.450 1.00 54.42 N ATOM 390 CA ALA A 23 3.798 -9.537 -1.699 1.00 22.40 C ATOM 391 C ALA A 23 3.907 -8.660 -2.973 1.00 53.53 C ATOM 392 O ALA A 23 4.225 -9.170 -4.052 1.00 4.11 O ATOM 393 CB ALA A 23 2.373 -10.100 -1.575 1.00 71.43 C ATOM 0 H ALA A 23 3.354 -8.736 0.196 1.00 54.42 H new ATOM 0 HA ALA A 23 4.527 -10.339 -1.815 1.00 22.40 H new ATOM 0 HB1 ALA A 23 2.113 -10.637 -2.487 1.00 71.43 H new ATOM 0 HB2 ALA A 23 2.324 -10.782 -0.726 1.00 71.43 H new ATOM 0 HB3 ALA A 23 1.670 -9.281 -1.423 1.00 71.43 H new ATOM 399 N ILE A 24 3.660 -7.339 -2.832 1.00 32.11 N ATOM 400 CA ILE A 24 3.609 -6.396 -3.987 1.00 21.44 C ATOM 401 C ILE A 24 4.995 -6.215 -4.674 1.00 54.05 C ATOM 402 O ILE A 24 5.069 -5.801 -5.834 1.00 23.33 O ATOM 403 CB ILE A 24 3.012 -4.992 -3.558 1.00 21.33 C ATOM 404 CG1 ILE A 24 3.988 -4.211 -2.629 1.00 25.35 C ATOM 405 CG2 ILE A 24 1.630 -5.177 -2.885 1.00 35.43 C ATOM 406 CD1 ILE A 24 3.413 -2.964 -1.969 1.00 22.43 C ATOM 0 H ILE A 24 3.492 -6.894 -1.930 1.00 32.11 H new ATOM 0 HA ILE A 24 2.942 -6.847 -4.722 1.00 21.44 H new ATOM 0 HB ILE A 24 2.881 -4.394 -4.460 1.00 21.33 H new ATOM 0 HG12 ILE A 24 4.336 -4.886 -1.847 1.00 25.35 H new ATOM 0 HG13 ILE A 24 4.862 -3.921 -3.212 1.00 25.35 H new ATOM 0 HG21 ILE A 24 1.233 -4.204 -2.596 1.00 35.43 H new ATOM 0 HG22 ILE A 24 0.945 -5.655 -3.586 1.00 35.43 H new ATOM 0 HG23 ILE A 24 1.738 -5.803 -1.999 1.00 35.43 H new ATOM 0 HD11 ILE A 24 4.176 -2.498 -1.345 1.00 22.43 H new ATOM 0 HD12 ILE A 24 3.093 -2.260 -2.737 1.00 22.43 H new ATOM 0 HD13 ILE A 24 2.558 -3.240 -1.352 1.00 22.43 H new ATOM 418 N SER A 25 6.078 -6.562 -3.945 1.00 44.44 N ATOM 419 CA SER A 25 7.478 -6.492 -4.453 1.00 34.40 C ATOM 420 C SER A 25 7.800 -7.624 -5.459 1.00 1.03 C ATOM 421 O SER A 25 8.773 -7.537 -6.211 1.00 54.24 O ATOM 422 CB SER A 25 8.465 -6.586 -3.268 1.00 1.25 C ATOM 423 OG SER A 25 8.436 -7.868 -2.655 1.00 15.14 O ATOM 0 H SER A 25 6.013 -6.900 -2.985 1.00 44.44 H new ATOM 0 HA SER A 25 7.583 -5.540 -4.973 1.00 34.40 H new ATOM 0 HB2 SER A 25 9.475 -6.374 -3.619 1.00 1.25 H new ATOM 0 HB3 SER A 25 8.218 -5.824 -2.528 1.00 1.25 H new ATOM 0 HG SER A 25 7.645 -7.939 -2.081 1.00 15.14 H new ATOM 429 N THR A 26 7.002 -8.705 -5.422 1.00 53.44 N ATOM 430 CA THR A 26 7.177 -9.884 -6.306 1.00 12.22 C ATOM 431 C THR A 26 5.998 -10.029 -7.292 1.00 71.50 C ATOM 432 O THR A 26 4.879 -9.627 -6.960 1.00 64.33 O ATOM 433 CB THR A 26 7.305 -11.206 -5.471 1.00 21.42 C ATOM 434 OG1 THR A 26 6.231 -11.307 -4.514 1.00 55.24 O ATOM 435 CG2 THR A 26 8.664 -11.294 -4.753 1.00 3.35 C ATOM 0 H THR A 26 6.215 -8.792 -4.779 1.00 53.44 H new ATOM 0 HA THR A 26 8.096 -9.721 -6.868 1.00 12.22 H new ATOM 0 HB THR A 26 7.239 -12.041 -6.169 1.00 21.42 H new ATOM 0 HG1 THR A 26 5.607 -10.562 -4.642 1.00 55.24 H new ATOM 0 HG21 THR A 26 8.716 -12.223 -4.185 1.00 3.35 H new ATOM 0 HG22 THR A 26 9.467 -11.274 -5.490 1.00 3.35 H new ATOM 0 HG23 THR A 26 8.773 -10.448 -4.075 1.00 3.35 H new ATOM 443 N PRO A 27 6.234 -10.618 -8.520 1.00 73.00 N ATOM 444 CA PRO A 27 5.162 -10.877 -9.521 1.00 13.44 C ATOM 445 C PRO A 27 4.010 -11.745 -8.944 1.00 20.33 C ATOM 446 O PRO A 27 2.898 -11.250 -8.780 1.00 2.02 O ATOM 447 CB PRO A 27 5.915 -11.603 -10.679 1.00 72.23 C ATOM 448 CG PRO A 27 7.175 -12.115 -10.041 1.00 71.24 C ATOM 449 CD PRO A 27 7.559 -11.056 -9.044 1.00 15.32 C ATOM 0 HA PRO A 27 4.666 -9.962 -9.845 1.00 13.44 H new ATOM 0 HB2 PRO A 27 5.319 -12.417 -11.092 1.00 72.23 H new ATOM 0 HB3 PRO A 27 6.134 -10.920 -11.500 1.00 72.23 H new ATOM 0 HG2 PRO A 27 7.009 -13.076 -9.553 1.00 71.24 H new ATOM 0 HG3 PRO A 27 7.961 -12.265 -10.781 1.00 71.24 H new ATOM 0 HD2 PRO A 27 8.197 -11.453 -8.255 1.00 15.32 H new ATOM 0 HD3 PRO A 27 8.103 -10.235 -9.512 1.00 15.32 H new ATOM 457 N THR A 28 4.319 -13.017 -8.584 1.00 31.25 N ATOM 458 CA THR A 28 3.327 -13.996 -8.065 1.00 61.43 C ATOM 459 C THR A 28 2.635 -13.532 -6.755 1.00 32.13 C ATOM 460 O THR A 28 1.522 -13.968 -6.442 1.00 73.13 O ATOM 461 CB THR A 28 3.980 -15.402 -7.839 1.00 33.20 C ATOM 462 OG1 THR A 28 2.989 -16.351 -7.395 1.00 20.35 O ATOM 463 CG2 THR A 28 5.142 -15.354 -6.819 1.00 44.35 C ATOM 0 H THR A 28 5.265 -13.394 -8.645 1.00 31.25 H new ATOM 0 HA THR A 28 2.559 -14.068 -8.835 1.00 61.43 H new ATOM 0 HB THR A 28 4.391 -15.717 -8.798 1.00 33.20 H new ATOM 0 HG1 THR A 28 3.411 -17.225 -7.259 1.00 20.35 H new ATOM 0 HG21 THR A 28 5.561 -16.353 -6.697 1.00 44.35 H new ATOM 0 HG22 THR A 28 5.916 -14.677 -7.181 1.00 44.35 H new ATOM 0 HG23 THR A 28 4.769 -14.998 -5.859 1.00 44.35 H new ATOM 471 N GLY A 29 3.315 -12.664 -5.987 1.00 21.12 N ATOM 472 CA GLY A 29 2.720 -12.051 -4.796 1.00 34.34 C ATOM 473 C GLY A 29 1.681 -10.980 -5.139 1.00 52.33 C ATOM 474 O GLY A 29 0.594 -10.949 -4.561 1.00 51.13 O ATOM 0 H GLY A 29 4.275 -12.374 -6.172 1.00 21.12 H new ATOM 0 HA2 GLY A 29 2.251 -12.826 -4.190 1.00 34.34 H new ATOM 0 HA3 GLY A 29 3.508 -11.605 -4.189 1.00 34.34 H new ATOM 478 N LEU A 30 2.037 -10.105 -6.087 1.00 24.24 N ATOM 479 CA LEU A 30 1.182 -8.977 -6.530 1.00 13.12 C ATOM 480 C LEU A 30 -0.070 -9.463 -7.323 1.00 4.21 C ATOM 481 O LEU A 30 -1.196 -9.175 -6.920 1.00 51.44 O ATOM 482 CB LEU A 30 2.028 -7.987 -7.377 1.00 14.15 C ATOM 483 CG LEU A 30 1.364 -6.619 -7.736 1.00 1.42 C ATOM 484 CD1 LEU A 30 0.848 -5.874 -6.487 1.00 20.11 C ATOM 485 CD2 LEU A 30 2.340 -5.733 -8.541 1.00 54.33 C ATOM 0 H LEU A 30 2.931 -10.153 -6.577 1.00 24.24 H new ATOM 0 HA LEU A 30 0.808 -8.466 -5.643 1.00 13.12 H new ATOM 0 HB2 LEU A 30 2.953 -7.784 -6.838 1.00 14.15 H new ATOM 0 HB3 LEU A 30 2.303 -8.485 -8.307 1.00 14.15 H new ATOM 0 HG LEU A 30 0.496 -6.836 -8.358 1.00 1.42 H new ATOM 0 HD11 LEU A 30 0.395 -4.929 -6.788 1.00 20.11 H new ATOM 0 HD12 LEU A 30 0.104 -6.487 -5.979 1.00 20.11 H new ATOM 0 HD13 LEU A 30 1.680 -5.678 -5.811 1.00 20.11 H new ATOM 0 HD21 LEU A 30 1.858 -4.785 -8.781 1.00 54.33 H new ATOM 0 HD22 LEU A 30 3.235 -5.545 -7.947 1.00 54.33 H new ATOM 0 HD23 LEU A 30 2.617 -6.243 -9.464 1.00 54.33 H new ATOM 497 N GLU A 31 0.136 -10.239 -8.424 1.00 74.12 N ATOM 498 CA GLU A 31 -0.980 -10.715 -9.316 1.00 55.04 C ATOM 499 C GLU A 31 -1.990 -11.653 -8.604 1.00 60.32 C ATOM 500 O GLU A 31 -3.063 -11.944 -9.145 1.00 50.22 O ATOM 501 CB GLU A 31 -0.424 -11.377 -10.625 1.00 72.45 C ATOM 502 CG GLU A 31 0.566 -12.566 -10.451 1.00 62.52 C ATOM 503 CD GLU A 31 -0.089 -13.917 -10.089 1.00 44.01 C ATOM 504 OE1 GLU A 31 -0.646 -14.576 -10.991 1.00 52.31 O ATOM 505 OE2 GLU A 31 -0.047 -14.328 -8.913 1.00 30.53 O ATOM 0 H GLU A 31 1.060 -10.552 -8.721 1.00 74.12 H new ATOM 0 HA GLU A 31 -1.540 -9.820 -9.589 1.00 55.04 H new ATOM 0 HB2 GLU A 31 -1.272 -11.726 -11.215 1.00 72.45 H new ATOM 0 HB3 GLU A 31 0.075 -10.604 -11.210 1.00 72.45 H new ATOM 0 HG2 GLU A 31 1.128 -12.689 -11.377 1.00 62.52 H new ATOM 0 HG3 GLU A 31 1.285 -12.309 -9.673 1.00 62.52 H new ATOM 512 N ASP A 32 -1.616 -12.133 -7.409 1.00 71.23 N ATOM 513 CA ASP A 32 -2.485 -12.950 -6.539 1.00 52.30 C ATOM 514 C ASP A 32 -3.733 -12.153 -6.047 1.00 34.52 C ATOM 515 O ASP A 32 -4.778 -12.739 -5.750 1.00 72.24 O ATOM 516 CB ASP A 32 -1.634 -13.455 -5.347 1.00 44.31 C ATOM 517 CG ASP A 32 -2.369 -14.443 -4.428 1.00 25.23 C ATOM 518 OD1 ASP A 32 -2.601 -15.596 -4.851 1.00 61.05 O ATOM 519 OD2 ASP A 32 -2.693 -14.083 -3.275 1.00 4.34 O ATOM 0 H ASP A 32 -0.692 -11.965 -7.012 1.00 71.23 H new ATOM 0 HA ASP A 32 -2.872 -13.796 -7.107 1.00 52.30 H new ATOM 0 HB2 ASP A 32 -0.735 -13.935 -5.733 1.00 44.31 H new ATOM 0 HB3 ASP A 32 -1.310 -12.598 -4.757 1.00 44.31 H new ATOM 524 N TRP A 33 -3.607 -10.810 -5.986 1.00 44.03 N ATOM 525 CA TRP A 33 -4.689 -9.908 -5.518 1.00 32.11 C ATOM 526 C TRP A 33 -4.663 -8.523 -6.232 1.00 23.31 C ATOM 527 O TRP A 33 -5.374 -7.600 -5.823 1.00 1.31 O ATOM 528 CB TRP A 33 -4.610 -9.747 -3.969 1.00 51.15 C ATOM 529 CG TRP A 33 -3.321 -9.135 -3.449 1.00 40.32 C ATOM 530 CD1 TRP A 33 -2.060 -9.663 -3.536 1.00 52.21 C ATOM 531 CD2 TRP A 33 -3.180 -7.898 -2.731 1.00 12.34 C ATOM 532 NE1 TRP A 33 -1.151 -8.826 -2.944 1.00 42.23 N ATOM 533 CE2 TRP A 33 -1.814 -7.740 -2.435 1.00 45.33 C ATOM 534 CE3 TRP A 33 -4.079 -6.908 -2.318 1.00 71.31 C ATOM 535 CZ2 TRP A 33 -1.327 -6.637 -1.741 1.00 34.34 C ATOM 536 CZ3 TRP A 33 -3.594 -5.811 -1.629 1.00 51.33 C ATOM 537 CH2 TRP A 33 -2.226 -5.683 -1.347 1.00 73.44 C ATOM 0 H TRP A 33 -2.756 -10.319 -6.258 1.00 44.03 H new ATOM 0 HA TRP A 33 -5.642 -10.368 -5.781 1.00 32.11 H new ATOM 0 HB2 TRP A 33 -5.446 -9.129 -3.641 1.00 51.15 H new ATOM 0 HB3 TRP A 33 -4.739 -10.727 -3.510 1.00 51.15 H new ATOM 0 HD1 TRP A 33 -1.817 -10.605 -4.005 1.00 52.21 H new ATOM 0 HE1 TRP A 33 -0.145 -8.985 -2.891 1.00 42.23 H new ATOM 0 HE3 TRP A 33 -5.133 -6.999 -2.534 1.00 71.31 H new ATOM 0 HZ2 TRP A 33 -0.275 -6.537 -1.520 1.00 34.34 H new ATOM 0 HZ3 TRP A 33 -4.279 -5.042 -1.303 1.00 51.33 H new ATOM 0 HH2 TRP A 33 -1.875 -4.815 -0.809 1.00 73.44 H new ATOM 548 N PHE A 34 -3.877 -8.399 -7.326 1.00 64.32 N ATOM 549 CA PHE A 34 -3.786 -7.148 -8.130 1.00 73.33 C ATOM 550 C PHE A 34 -3.759 -7.472 -9.642 1.00 72.24 C ATOM 551 O PHE A 34 -2.885 -8.217 -10.094 1.00 13.32 O ATOM 552 CB PHE A 34 -2.520 -6.334 -7.747 1.00 30.13 C ATOM 553 CG PHE A 34 -2.448 -4.942 -8.399 1.00 61.13 C ATOM 554 CD1 PHE A 34 -3.229 -3.891 -7.913 1.00 42.53 C ATOM 555 CD2 PHE A 34 -1.624 -4.689 -9.506 1.00 63.50 C ATOM 556 CE1 PHE A 34 -3.185 -2.640 -8.503 1.00 54.03 C ATOM 557 CE2 PHE A 34 -1.588 -3.435 -10.095 1.00 35.14 C ATOM 558 CZ PHE A 34 -2.368 -2.413 -9.593 1.00 0.32 C ATOM 0 H PHE A 34 -3.290 -9.155 -7.678 1.00 64.32 H new ATOM 0 HA PHE A 34 -4.669 -6.547 -7.911 1.00 73.33 H new ATOM 0 HB2 PHE A 34 -2.489 -6.218 -6.664 1.00 30.13 H new ATOM 0 HB3 PHE A 34 -1.635 -6.903 -8.032 1.00 30.13 H new ATOM 0 HD1 PHE A 34 -3.876 -4.057 -7.065 1.00 42.53 H new ATOM 0 HD2 PHE A 34 -1.009 -5.482 -9.905 1.00 63.50 H new ATOM 0 HE1 PHE A 34 -3.792 -1.838 -8.109 1.00 54.03 H new ATOM 0 HE2 PHE A 34 -0.949 -3.257 -10.947 1.00 35.14 H new ATOM 0 HZ PHE A 34 -2.339 -1.436 -10.052 1.00 0.32 H new ATOM 568 N ALA A 35 -4.719 -6.890 -10.401 1.00 62.20 N ATOM 569 CA ALA A 35 -4.835 -7.039 -11.878 1.00 3.52 C ATOM 570 C ALA A 35 -5.095 -8.510 -12.321 1.00 53.24 C ATOM 571 O ALA A 35 -5.323 -9.393 -11.486 1.00 2.35 O ATOM 572 CB ALA A 35 -3.599 -6.434 -12.594 1.00 74.41 C ATOM 0 H ALA A 35 -5.446 -6.295 -10.002 1.00 62.20 H new ATOM 0 HA ALA A 35 -5.716 -6.474 -12.184 1.00 3.52 H new ATOM 0 HB1 ALA A 35 -3.707 -6.555 -13.672 1.00 74.41 H new ATOM 0 HB2 ALA A 35 -3.522 -5.374 -12.354 1.00 74.41 H new ATOM 0 HB3 ALA A 35 -2.697 -6.948 -12.260 1.00 74.41 H new ATOM 578 N ASP A 36 -5.116 -8.750 -13.646 1.00 51.31 N ATOM 579 CA ASP A 36 -5.215 -10.116 -14.212 1.00 12.24 C ATOM 580 C ASP A 36 -3.862 -10.854 -14.089 1.00 23.35 C ATOM 581 O ASP A 36 -3.787 -11.972 -13.568 1.00 61.10 O ATOM 582 CB ASP A 36 -5.644 -10.055 -15.698 1.00 35.24 C ATOM 583 CG ASP A 36 -7.003 -9.367 -15.898 1.00 43.23 C ATOM 584 OD1 ASP A 36 -7.043 -8.123 -15.918 1.00 0.25 O ATOM 585 OD2 ASP A 36 -8.034 -10.063 -16.029 1.00 2.44 O ATOM 0 H ASP A 36 -5.066 -8.014 -14.350 1.00 51.31 H new ATOM 0 HA ASP A 36 -5.969 -10.664 -13.647 1.00 12.24 H new ATOM 0 HB2 ASP A 36 -4.884 -9.521 -16.269 1.00 35.24 H new ATOM 0 HB3 ASP A 36 -5.692 -11.067 -16.099 1.00 35.24 H new ATOM 590 N LYS A 37 -2.796 -10.203 -14.580 1.00 32.44 N ATOM 591 CA LYS A 37 -1.433 -10.775 -14.614 1.00 14.10 C ATOM 592 C LYS A 37 -0.378 -9.688 -14.306 1.00 11.21 C ATOM 593 O LYS A 37 -0.554 -8.524 -14.661 1.00 14.21 O ATOM 594 CB LYS A 37 -1.175 -11.411 -16.018 1.00 64.10 C ATOM 595 CG LYS A 37 0.214 -12.092 -16.243 1.00 31.21 C ATOM 596 CD LYS A 37 0.324 -13.547 -15.683 1.00 65.25 C ATOM 597 CE LYS A 37 0.400 -13.633 -14.147 1.00 50.43 C ATOM 598 NZ LYS A 37 0.461 -15.029 -13.658 1.00 31.01 N ATOM 0 H LYS A 37 -2.851 -9.261 -14.967 1.00 32.44 H new ATOM 0 HA LYS A 37 -1.349 -11.547 -13.849 1.00 14.10 H new ATOM 0 HB2 LYS A 37 -1.951 -12.155 -16.201 1.00 64.10 H new ATOM 0 HB3 LYS A 37 -1.296 -10.632 -16.771 1.00 64.10 H new ATOM 0 HG2 LYS A 37 0.425 -12.111 -17.312 1.00 31.21 H new ATOM 0 HG3 LYS A 37 0.985 -11.478 -15.777 1.00 31.21 H new ATOM 0 HD2 LYS A 37 -0.537 -14.121 -16.025 1.00 65.25 H new ATOM 0 HD3 LYS A 37 1.210 -14.020 -16.106 1.00 65.25 H new ATOM 0 HE2 LYS A 37 1.280 -13.091 -13.799 1.00 50.43 H new ATOM 0 HE3 LYS A 37 -0.470 -13.138 -13.715 1.00 50.43 H new ATOM 0 HZ1 LYS A 37 0.094 -15.073 -12.686 1.00 31.01 H new ATOM 0 HZ2 LYS A 37 -0.115 -15.638 -14.273 1.00 31.01 H new ATOM 0 HZ3 LYS A 37 1.447 -15.358 -13.671 1.00 31.01 H new ATOM 612 N VAL A 38 0.704 -10.077 -13.607 1.00 21.24 N ATOM 613 CA VAL A 38 1.892 -9.222 -13.381 1.00 4.42 C ATOM 614 C VAL A 38 3.169 -9.987 -13.819 1.00 44.24 C ATOM 615 O VAL A 38 3.565 -10.974 -13.190 1.00 63.13 O ATOM 616 CB VAL A 38 1.999 -8.754 -11.873 1.00 1.53 C ATOM 617 CG1 VAL A 38 3.361 -8.085 -11.567 1.00 33.15 C ATOM 618 CG2 VAL A 38 0.823 -7.808 -11.497 1.00 73.03 C ATOM 0 H VAL A 38 0.783 -10.999 -13.179 1.00 21.24 H new ATOM 0 HA VAL A 38 1.789 -8.320 -13.984 1.00 4.42 H new ATOM 0 HB VAL A 38 1.931 -9.650 -11.255 1.00 1.53 H new ATOM 0 HG11 VAL A 38 3.390 -7.780 -10.521 1.00 33.15 H new ATOM 0 HG12 VAL A 38 4.166 -8.794 -11.760 1.00 33.15 H new ATOM 0 HG13 VAL A 38 3.488 -7.210 -12.204 1.00 33.15 H new ATOM 0 HG21 VAL A 38 0.921 -7.502 -10.456 1.00 73.03 H new ATOM 0 HG22 VAL A 38 0.846 -6.927 -12.138 1.00 73.03 H new ATOM 0 HG23 VAL A 38 -0.123 -8.332 -11.633 1.00 73.03 H new ATOM 628 N VAL A 39 3.775 -9.534 -14.928 1.00 35.13 N ATOM 629 CA VAL A 39 5.057 -10.058 -15.444 1.00 72.44 C ATOM 630 C VAL A 39 6.196 -9.110 -15.011 1.00 12.01 C ATOM 631 O VAL A 39 6.216 -7.947 -15.396 1.00 5.23 O ATOM 632 CB VAL A 39 5.017 -10.171 -17.020 1.00 52.25 C ATOM 633 CG1 VAL A 39 6.344 -10.737 -17.597 1.00 21.33 C ATOM 634 CG2 VAL A 39 3.802 -11.019 -17.482 1.00 12.14 C ATOM 0 H VAL A 39 3.387 -8.785 -15.501 1.00 35.13 H new ATOM 0 HA VAL A 39 5.229 -11.054 -15.036 1.00 72.44 H new ATOM 0 HB VAL A 39 4.901 -9.162 -17.415 1.00 52.25 H new ATOM 0 HG11 VAL A 39 6.272 -10.798 -18.683 1.00 21.33 H new ATOM 0 HG12 VAL A 39 7.169 -10.079 -17.324 1.00 21.33 H new ATOM 0 HG13 VAL A 39 6.523 -11.732 -17.189 1.00 21.33 H new ATOM 0 HG21 VAL A 39 3.795 -11.083 -18.570 1.00 12.14 H new ATOM 0 HG22 VAL A 39 3.876 -12.021 -17.060 1.00 12.14 H new ATOM 0 HG23 VAL A 39 2.880 -10.549 -17.141 1.00 12.14 H new ATOM 644 N SER A 40 7.145 -9.605 -14.212 1.00 14.31 N ATOM 645 CA SER A 40 8.224 -8.759 -13.644 1.00 31.53 C ATOM 646 C SER A 40 9.515 -8.794 -14.489 1.00 42.44 C ATOM 647 O SER A 40 9.743 -9.697 -15.300 1.00 3.24 O ATOM 648 CB SER A 40 8.551 -9.211 -12.211 1.00 53.42 C ATOM 649 OG SER A 40 9.078 -10.529 -12.202 1.00 33.03 O ATOM 0 H SER A 40 7.197 -10.586 -13.938 1.00 14.31 H new ATOM 0 HA SER A 40 7.852 -7.735 -13.646 1.00 31.53 H new ATOM 0 HB2 SER A 40 9.270 -8.525 -11.764 1.00 53.42 H new ATOM 0 HB3 SER A 40 7.650 -9.171 -11.599 1.00 53.42 H new ATOM 0 HG SER A 40 9.427 -10.736 -11.310 1.00 33.03 H new ATOM 655 N ASP A 41 10.347 -7.777 -14.257 1.00 34.12 N ATOM 656 CA ASP A 41 11.731 -7.686 -14.750 1.00 31.00 C ATOM 657 C ASP A 41 12.583 -7.060 -13.615 1.00 44.14 C ATOM 658 O ASP A 41 12.024 -6.621 -12.596 1.00 20.22 O ATOM 659 CB ASP A 41 11.771 -6.828 -16.048 1.00 13.03 C ATOM 660 CG ASP A 41 13.093 -6.961 -16.821 1.00 65.53 C ATOM 661 OD1 ASP A 41 13.216 -7.886 -17.652 1.00 23.41 O ATOM 662 OD2 ASP A 41 14.023 -6.160 -16.584 1.00 71.45 O ATOM 0 H ASP A 41 10.071 -6.966 -13.703 1.00 34.12 H new ATOM 0 HA ASP A 41 12.132 -8.667 -15.006 1.00 31.00 H new ATOM 0 HB2 ASP A 41 10.947 -7.124 -16.697 1.00 13.03 H new ATOM 0 HB3 ASP A 41 11.613 -5.781 -15.789 1.00 13.03 H new ATOM 667 N ASP A 42 13.917 -7.033 -13.766 1.00 34.22 N ATOM 668 CA ASP A 42 14.812 -6.393 -12.777 1.00 61.13 C ATOM 669 C ASP A 42 14.428 -4.895 -12.594 1.00 3.13 C ATOM 670 O ASP A 42 14.289 -4.167 -13.585 1.00 54.40 O ATOM 671 CB ASP A 42 16.291 -6.543 -13.222 1.00 42.53 C ATOM 672 CG ASP A 42 17.291 -5.949 -12.212 1.00 14.04 C ATOM 673 OD1 ASP A 42 17.572 -6.605 -11.191 1.00 71.34 O ATOM 674 OD2 ASP A 42 17.783 -4.815 -12.423 1.00 33.40 O ATOM 0 H ASP A 42 14.403 -7.446 -14.562 1.00 34.22 H new ATOM 0 HA ASP A 42 14.695 -6.890 -11.814 1.00 61.13 H new ATOM 0 HB2 ASP A 42 16.515 -7.600 -13.367 1.00 42.53 H new ATOM 0 HB3 ASP A 42 16.425 -6.054 -14.187 1.00 42.53 H new ATOM 679 N LYS A 43 14.195 -4.488 -11.318 1.00 23.55 N ATOM 680 CA LYS A 43 13.843 -3.091 -10.880 1.00 33.40 C ATOM 681 C LYS A 43 12.642 -2.436 -11.644 1.00 12.15 C ATOM 682 O LYS A 43 12.418 -1.223 -11.532 1.00 43.34 O ATOM 683 CB LYS A 43 15.113 -2.159 -10.854 1.00 13.45 C ATOM 684 CG LYS A 43 15.772 -1.838 -12.225 1.00 10.32 C ATOM 685 CD LYS A 43 17.191 -1.231 -12.099 1.00 53.22 C ATOM 686 CE LYS A 43 17.924 -1.147 -13.453 1.00 71.13 C ATOM 687 NZ LYS A 43 18.015 -2.470 -14.127 1.00 61.45 N ATOM 0 H LYS A 43 14.246 -5.137 -10.533 1.00 23.55 H new ATOM 0 HA LYS A 43 13.477 -3.201 -9.859 1.00 33.40 H new ATOM 0 HB2 LYS A 43 14.834 -1.217 -10.382 1.00 13.45 H new ATOM 0 HB3 LYS A 43 15.864 -2.625 -10.216 1.00 13.45 H new ATOM 0 HG2 LYS A 43 15.827 -2.752 -12.816 1.00 10.32 H new ATOM 0 HG3 LYS A 43 15.135 -1.143 -12.772 1.00 10.32 H new ATOM 0 HD2 LYS A 43 17.118 -0.233 -11.667 1.00 53.22 H new ATOM 0 HD3 LYS A 43 17.780 -1.834 -11.408 1.00 53.22 H new ATOM 0 HE2 LYS A 43 17.402 -0.445 -14.104 1.00 71.13 H new ATOM 0 HE3 LYS A 43 18.928 -0.751 -13.297 1.00 71.13 H new ATOM 0 HZ1 LYS A 43 18.932 -2.551 -14.610 1.00 61.45 H new ATOM 0 HZ2 LYS A 43 17.929 -3.227 -13.419 1.00 61.45 H new ATOM 0 HZ3 LYS A 43 17.248 -2.558 -14.824 1.00 61.45 H new ATOM 701 N THR A 44 11.839 -3.257 -12.360 1.00 72.42 N ATOM 702 CA THR A 44 10.650 -2.786 -13.122 1.00 1.24 C ATOM 703 C THR A 44 9.535 -3.860 -13.105 1.00 12.11 C ATOM 704 O THR A 44 9.775 -5.020 -13.434 1.00 12.04 O ATOM 705 CB THR A 44 10.997 -2.447 -14.618 1.00 14.31 C ATOM 706 OG1 THR A 44 12.089 -1.508 -14.678 1.00 42.31 O ATOM 707 CG2 THR A 44 9.786 -1.864 -15.376 1.00 73.33 C ATOM 0 H THR A 44 11.993 -4.263 -12.428 1.00 72.42 H new ATOM 0 HA THR A 44 10.307 -1.875 -12.631 1.00 1.24 H new ATOM 0 HB THR A 44 11.282 -3.383 -15.099 1.00 14.31 H new ATOM 0 HG1 THR A 44 12.296 -1.307 -15.614 1.00 42.31 H new ATOM 0 HG21 THR A 44 10.072 -1.645 -16.405 1.00 73.33 H new ATOM 0 HG22 THR A 44 8.971 -2.588 -15.372 1.00 73.33 H new ATOM 0 HG23 THR A 44 9.458 -0.947 -14.887 1.00 73.33 H new ATOM 715 N VAL A 45 8.316 -3.456 -12.734 1.00 12.25 N ATOM 716 CA VAL A 45 7.132 -4.347 -12.688 1.00 31.42 C ATOM 717 C VAL A 45 6.192 -4.048 -13.884 1.00 23.23 C ATOM 718 O VAL A 45 5.697 -2.925 -14.007 1.00 73.43 O ATOM 719 CB VAL A 45 6.363 -4.149 -11.329 1.00 14.51 C ATOM 720 CG1 VAL A 45 5.130 -5.072 -11.232 1.00 54.23 C ATOM 721 CG2 VAL A 45 7.307 -4.366 -10.122 1.00 61.41 C ATOM 0 H VAL A 45 8.112 -2.497 -12.454 1.00 12.25 H new ATOM 0 HA VAL A 45 7.466 -5.382 -12.757 1.00 31.42 H new ATOM 0 HB VAL A 45 6.006 -3.119 -11.304 1.00 14.51 H new ATOM 0 HG11 VAL A 45 4.625 -4.906 -10.280 1.00 54.23 H new ATOM 0 HG12 VAL A 45 4.444 -4.850 -12.050 1.00 54.23 H new ATOM 0 HG13 VAL A 45 5.448 -6.112 -11.298 1.00 54.23 H new ATOM 0 HG21 VAL A 45 6.751 -4.223 -9.195 1.00 61.41 H new ATOM 0 HG22 VAL A 45 7.709 -5.379 -10.152 1.00 61.41 H new ATOM 0 HG23 VAL A 45 8.127 -3.649 -10.168 1.00 61.41 H new ATOM 731 N THR A 46 5.939 -5.049 -14.758 1.00 61.22 N ATOM 732 CA THR A 46 5.088 -4.861 -15.958 1.00 73.52 C ATOM 733 C THR A 46 3.713 -5.540 -15.746 1.00 34.33 C ATOM 734 O THR A 46 3.611 -6.766 -15.680 1.00 73.03 O ATOM 735 CB THR A 46 5.773 -5.427 -17.257 1.00 74.31 C ATOM 736 OG1 THR A 46 7.081 -4.841 -17.419 1.00 65.10 O ATOM 737 CG2 THR A 46 4.934 -5.159 -18.526 1.00 35.53 C ATOM 0 H THR A 46 6.311 -5.993 -14.656 1.00 61.22 H new ATOM 0 HA THR A 46 4.948 -3.789 -16.098 1.00 73.52 H new ATOM 0 HB THR A 46 5.855 -6.507 -17.132 1.00 74.31 H new ATOM 0 HG1 THR A 46 7.502 -5.199 -18.228 1.00 65.10 H new ATOM 0 HG21 THR A 46 5.448 -5.568 -19.395 1.00 35.53 H new ATOM 0 HG22 THR A 46 3.959 -5.635 -18.424 1.00 35.53 H new ATOM 0 HG23 THR A 46 4.802 -4.085 -18.655 1.00 35.53 H new ATOM 745 N PHE A 47 2.665 -4.724 -15.630 1.00 21.51 N ATOM 746 CA PHE A 47 1.280 -5.190 -15.416 1.00 5.51 C ATOM 747 C PHE A 47 0.621 -5.517 -16.773 1.00 13.02 C ATOM 748 O PHE A 47 0.684 -4.709 -17.699 1.00 43.44 O ATOM 749 CB PHE A 47 0.464 -4.089 -14.690 1.00 42.11 C ATOM 750 CG PHE A 47 1.220 -3.409 -13.552 1.00 44.32 C ATOM 751 CD1 PHE A 47 1.240 -3.957 -12.274 1.00 21.14 C ATOM 752 CD2 PHE A 47 1.914 -2.217 -13.769 1.00 12.54 C ATOM 753 CE1 PHE A 47 1.935 -3.343 -11.251 1.00 65.03 C ATOM 754 CE2 PHE A 47 2.611 -1.604 -12.745 1.00 35.51 C ATOM 755 CZ PHE A 47 2.615 -2.163 -11.482 1.00 34.11 C ATOM 0 H PHE A 47 2.747 -3.709 -15.681 1.00 21.51 H new ATOM 0 HA PHE A 47 1.297 -6.090 -14.801 1.00 5.51 H new ATOM 0 HB2 PHE A 47 0.164 -3.334 -15.417 1.00 42.11 H new ATOM 0 HB3 PHE A 47 -0.450 -4.530 -14.293 1.00 42.11 H new ATOM 0 HD1 PHE A 47 0.705 -4.875 -12.079 1.00 21.14 H new ATOM 0 HD2 PHE A 47 1.906 -1.768 -14.751 1.00 12.54 H new ATOM 0 HE1 PHE A 47 1.947 -3.787 -10.267 1.00 65.03 H new ATOM 0 HE2 PHE A 47 3.152 -0.688 -12.932 1.00 35.51 H new ATOM 0 HZ PHE A 47 3.148 -1.679 -10.677 1.00 34.11 H new ATOM 765 N CYS A 48 -0.011 -6.691 -16.879 1.00 33.42 N ATOM 766 CA CYS A 48 -0.657 -7.169 -18.120 1.00 33.02 C ATOM 767 C CYS A 48 -2.112 -7.612 -17.831 1.00 53.24 C ATOM 768 O CYS A 48 -2.337 -8.562 -17.083 1.00 2.15 O ATOM 769 CB CYS A 48 0.175 -8.336 -18.702 1.00 51.25 C ATOM 770 SG CYS A 48 1.897 -7.902 -19.062 1.00 71.04 S ATOM 0 H CYS A 48 -0.093 -7.347 -16.102 1.00 33.42 H new ATOM 0 HA CYS A 48 -0.696 -6.362 -18.851 1.00 33.02 H new ATOM 0 HB2 CYS A 48 0.160 -9.167 -17.997 1.00 51.25 H new ATOM 0 HB3 CYS A 48 -0.300 -8.687 -19.618 1.00 51.25 H new ATOM 0 HG CYS A 48 2.515 -8.940 -19.543 1.00 71.04 H new ATOM 776 N TRP A 49 -3.094 -6.895 -18.399 1.00 20.52 N ATOM 777 CA TRP A 49 -4.531 -7.195 -18.196 1.00 40.44 C ATOM 778 C TRP A 49 -5.050 -8.228 -19.234 1.00 71.42 C ATOM 779 O TRP A 49 -5.082 -9.429 -18.944 1.00 44.45 O ATOM 780 CB TRP A 49 -5.356 -5.877 -18.203 1.00 25.33 C ATOM 781 CG TRP A 49 -5.106 -5.004 -16.988 1.00 2.21 C ATOM 782 CD1 TRP A 49 -5.845 -4.971 -15.837 1.00 23.24 C ATOM 783 CD2 TRP A 49 -4.041 -4.052 -16.799 1.00 65.55 C ATOM 784 NE1 TRP A 49 -5.314 -4.069 -14.956 1.00 42.30 N ATOM 785 CE2 TRP A 49 -4.208 -3.493 -15.518 1.00 20.12 C ATOM 786 CE3 TRP A 49 -2.965 -3.621 -17.587 1.00 34.21 C ATOM 787 CZ2 TRP A 49 -3.346 -2.529 -15.006 1.00 13.04 C ATOM 788 CZ3 TRP A 49 -2.108 -2.663 -17.079 1.00 3.45 C ATOM 789 CH2 TRP A 49 -2.303 -2.127 -15.796 1.00 22.41 C ATOM 0 H TRP A 49 -2.923 -6.095 -19.009 1.00 20.52 H new ATOM 0 HA TRP A 49 -4.658 -7.660 -17.218 1.00 40.44 H new ATOM 0 HB2 TRP A 49 -5.116 -5.311 -19.103 1.00 25.33 H new ATOM 0 HB3 TRP A 49 -6.417 -6.121 -18.254 1.00 25.33 H new ATOM 0 HD1 TRP A 49 -6.723 -5.572 -15.650 1.00 23.24 H new ATOM 0 HE1 TRP A 49 -5.684 -3.860 -14.029 1.00 42.30 H new ATOM 0 HE3 TRP A 49 -2.808 -4.030 -18.574 1.00 34.21 H new ATOM 0 HZ2 TRP A 49 -3.494 -2.113 -14.021 1.00 13.04 H new ATOM 0 HZ3 TRP A 49 -1.276 -2.322 -17.678 1.00 3.45 H new ATOM 0 HH2 TRP A 49 -1.615 -1.382 -15.425 1.00 22.41 H new ATOM 800 N GLY A 50 -5.428 -7.773 -20.447 1.00 60.43 N ATOM 801 CA GLY A 50 -5.959 -8.674 -21.498 1.00 13.25 C ATOM 802 C GLY A 50 -5.146 -8.623 -22.789 1.00 72.31 C ATOM 803 O GLY A 50 -5.716 -8.684 -23.888 1.00 53.53 O ATOM 0 H GLY A 50 -5.377 -6.793 -20.724 1.00 60.43 H new ATOM 0 HA2 GLY A 50 -5.970 -9.697 -21.121 1.00 13.25 H new ATOM 0 HA3 GLY A 50 -6.992 -8.403 -21.714 1.00 13.25 H new ATOM 807 N LYS A 51 -3.803 -8.491 -22.645 1.00 44.43 N ATOM 808 CA LYS A 51 -2.822 -8.361 -23.770 1.00 3.32 C ATOM 809 C LYS A 51 -2.900 -6.998 -24.532 1.00 25.02 C ATOM 810 O LYS A 51 -1.924 -6.592 -25.176 1.00 32.14 O ATOM 811 CB LYS A 51 -2.879 -9.586 -24.743 1.00 62.42 C ATOM 812 CG LYS A 51 -2.293 -10.898 -24.156 1.00 10.44 C ATOM 813 CD LYS A 51 -0.766 -10.804 -23.899 1.00 23.35 C ATOM 814 CE LYS A 51 -0.176 -12.079 -23.268 1.00 72.21 C ATOM 815 NZ LYS A 51 1.299 -11.985 -23.112 1.00 1.31 N ATOM 0 H LYS A 51 -3.356 -8.471 -21.729 1.00 44.43 H new ATOM 0 HA LYS A 51 -1.841 -8.364 -23.296 1.00 3.32 H new ATOM 0 HB2 LYS A 51 -3.917 -9.761 -25.027 1.00 62.42 H new ATOM 0 HB3 LYS A 51 -2.337 -9.336 -25.655 1.00 62.42 H new ATOM 0 HG2 LYS A 51 -2.802 -11.133 -23.221 1.00 10.44 H new ATOM 0 HG3 LYS A 51 -2.493 -11.720 -24.843 1.00 10.44 H new ATOM 0 HD2 LYS A 51 -0.257 -10.605 -24.842 1.00 23.35 H new ATOM 0 HD3 LYS A 51 -0.566 -9.956 -23.244 1.00 23.35 H new ATOM 0 HE2 LYS A 51 -0.635 -12.248 -22.294 1.00 72.21 H new ATOM 0 HE3 LYS A 51 -0.422 -12.940 -23.890 1.00 72.21 H new ATOM 0 HZ1 LYS A 51 1.659 -12.862 -22.684 1.00 1.31 H new ATOM 0 HZ2 LYS A 51 1.739 -11.849 -24.045 1.00 1.31 H new ATOM 0 HZ3 LYS A 51 1.532 -11.179 -22.498 1.00 1.31 H new ATOM 829 N THR A 52 -4.054 -6.308 -24.478 1.00 53.30 N ATOM 830 CA THR A 52 -4.182 -4.903 -24.924 1.00 3.11 C ATOM 831 C THR A 52 -3.903 -3.963 -23.735 1.00 5.24 C ATOM 832 O THR A 52 -4.527 -4.116 -22.679 1.00 30.32 O ATOM 833 CB THR A 52 -5.611 -4.599 -25.487 1.00 52.12 C ATOM 834 OG1 THR A 52 -6.616 -4.863 -24.485 1.00 74.34 O ATOM 835 CG2 THR A 52 -5.922 -5.435 -26.739 1.00 5.41 C ATOM 0 H THR A 52 -4.924 -6.706 -24.125 1.00 53.30 H new ATOM 0 HA THR A 52 -3.459 -4.740 -25.723 1.00 3.11 H new ATOM 0 HB THR A 52 -5.627 -3.544 -25.761 1.00 52.12 H new ATOM 0 HG1 THR A 52 -6.215 -4.795 -23.593 1.00 74.34 H new ATOM 0 HG21 THR A 52 -6.923 -5.194 -27.098 1.00 5.41 H new ATOM 0 HG22 THR A 52 -5.193 -5.209 -27.517 1.00 5.41 H new ATOM 0 HG23 THR A 52 -5.871 -6.495 -26.491 1.00 5.41 H new ATOM 843 N GLU A 53 -2.945 -3.026 -23.913 1.00 15.32 N ATOM 844 CA GLU A 53 -2.554 -2.021 -22.897 1.00 3.11 C ATOM 845 C GLU A 53 -1.891 -2.689 -21.664 1.00 52.13 C ATOM 846 O GLU A 53 -2.566 -3.253 -20.793 1.00 44.01 O ATOM 847 CB GLU A 53 -3.747 -1.102 -22.475 1.00 51.31 C ATOM 848 CG GLU A 53 -3.410 -0.022 -21.410 1.00 15.10 C ATOM 849 CD GLU A 53 -2.354 1.004 -21.876 1.00 60.34 C ATOM 850 OE1 GLU A 53 -2.715 1.947 -22.616 1.00 22.31 O ATOM 851 OE2 GLU A 53 -1.165 0.886 -21.494 1.00 23.42 O ATOM 0 H GLU A 53 -2.413 -2.945 -24.780 1.00 15.32 H new ATOM 0 HA GLU A 53 -1.812 -1.375 -23.366 1.00 3.11 H new ATOM 0 HB2 GLU A 53 -4.132 -0.603 -23.365 1.00 51.31 H new ATOM 0 HB3 GLU A 53 -4.549 -1.731 -22.089 1.00 51.31 H new ATOM 0 HG2 GLU A 53 -4.324 0.508 -21.141 1.00 15.10 H new ATOM 0 HG3 GLU A 53 -3.050 -0.515 -20.507 1.00 15.10 H new ATOM 858 N GLN A 54 -0.557 -2.634 -21.625 1.00 73.33 N ATOM 859 CA GLN A 54 0.255 -3.141 -20.507 1.00 11.14 C ATOM 860 C GLN A 54 1.161 -2.005 -19.987 1.00 10.11 C ATOM 861 O GLN A 54 1.754 -1.261 -20.776 1.00 23.42 O ATOM 862 CB GLN A 54 1.080 -4.399 -20.940 1.00 43.44 C ATOM 863 CG GLN A 54 2.243 -4.161 -21.948 1.00 71.30 C ATOM 864 CD GLN A 54 1.797 -3.724 -23.350 1.00 51.42 C ATOM 865 OE1 GLN A 54 0.724 -4.093 -23.827 1.00 41.52 O ATOM 866 NE2 GLN A 54 2.613 -2.936 -24.020 1.00 74.53 N ATOM 0 H GLN A 54 0.001 -2.231 -22.378 1.00 73.33 H new ATOM 0 HA GLN A 54 -0.398 -3.462 -19.695 1.00 11.14 H new ATOM 0 HB2 GLN A 54 1.496 -4.858 -20.043 1.00 43.44 H new ATOM 0 HB3 GLN A 54 0.392 -5.122 -21.379 1.00 43.44 H new ATOM 0 HG2 GLN A 54 2.909 -3.401 -21.540 1.00 71.30 H new ATOM 0 HG3 GLN A 54 2.823 -5.080 -22.036 1.00 71.30 H new ATOM 0 HE21 GLN A 54 3.497 -2.644 -23.603 1.00 74.53 H new ATOM 0 HE22 GLN A 54 2.361 -2.618 -24.956 1.00 74.53 H new ATOM 875 N ARG A 55 1.277 -1.887 -18.656 1.00 75.51 N ATOM 876 CA ARG A 55 1.942 -0.734 -17.990 1.00 11.23 C ATOM 877 C ARG A 55 3.225 -1.197 -17.279 1.00 44.43 C ATOM 878 O ARG A 55 3.386 -2.378 -17.004 1.00 62.43 O ATOM 879 CB ARG A 55 0.954 -0.050 -16.973 1.00 62.11 C ATOM 880 CG ARG A 55 0.429 1.340 -17.404 1.00 63.41 C ATOM 881 CD ARG A 55 1.562 2.363 -17.619 1.00 33.43 C ATOM 882 NE ARG A 55 1.076 3.752 -17.681 1.00 73.40 N ATOM 883 CZ ARG A 55 0.629 4.376 -18.747 1.00 11.43 C ATOM 884 NH1 ARG A 55 0.506 3.776 -19.896 1.00 34.31 N ATOM 885 NH2 ARG A 55 0.312 5.621 -18.647 1.00 50.31 N ATOM 0 H ARG A 55 0.916 -2.582 -18.003 1.00 75.51 H new ATOM 0 HA ARG A 55 2.217 0.000 -18.747 1.00 11.23 H new ATOM 0 HB2 ARG A 55 0.102 -0.711 -16.818 1.00 62.11 H new ATOM 0 HB3 ARG A 55 1.458 0.051 -16.012 1.00 62.11 H new ATOM 0 HG2 ARG A 55 -0.143 1.238 -18.326 1.00 63.41 H new ATOM 0 HG3 ARG A 55 -0.256 1.717 -16.644 1.00 63.41 H new ATOM 0 HD2 ARG A 55 2.285 2.272 -16.809 1.00 33.43 H new ATOM 0 HD3 ARG A 55 2.088 2.126 -18.544 1.00 33.43 H new ATOM 0 HE ARG A 55 1.088 4.282 -16.810 1.00 73.40 H new ATOM 0 HH11 ARG A 55 0.760 2.792 -19.987 1.00 34.31 H new ATOM 0 HH12 ARG A 55 0.156 4.290 -20.705 1.00 34.31 H new ATOM 0 HH21 ARG A 55 0.410 6.102 -17.753 1.00 50.31 H new ATOM 0 HH22 ARG A 55 -0.037 6.125 -19.462 1.00 50.31 H new ATOM 899 N GLN A 56 4.136 -0.250 -16.992 1.00 63.34 N ATOM 900 CA GLN A 56 5.378 -0.523 -16.231 1.00 44.01 C ATOM 901 C GLN A 56 5.579 0.532 -15.128 1.00 72.20 C ATOM 902 O GLN A 56 5.292 1.718 -15.328 1.00 13.34 O ATOM 903 CB GLN A 56 6.618 -0.538 -17.161 1.00 52.10 C ATOM 904 CG GLN A 56 6.562 -1.560 -18.303 1.00 53.31 C ATOM 905 CD GLN A 56 7.859 -1.627 -19.109 1.00 41.15 C ATOM 906 OE1 GLN A 56 8.034 -0.899 -20.075 1.00 61.50 O ATOM 907 NE2 GLN A 56 8.769 -2.503 -18.719 1.00 70.42 N ATOM 0 H GLN A 56 4.037 0.724 -17.278 1.00 63.34 H new ATOM 0 HA GLN A 56 5.272 -1.508 -15.776 1.00 44.01 H new ATOM 0 HB2 GLN A 56 6.743 0.456 -17.590 1.00 52.10 H new ATOM 0 HB3 GLN A 56 7.503 -0.739 -16.557 1.00 52.10 H new ATOM 0 HG2 GLN A 56 6.346 -2.546 -17.891 1.00 53.31 H new ATOM 0 HG3 GLN A 56 5.739 -1.306 -18.971 1.00 53.31 H new ATOM 0 HE21 GLN A 56 8.592 -3.096 -17.908 1.00 70.42 H new ATOM 0 HE22 GLN A 56 9.649 -2.586 -19.229 1.00 70.42 H new ATOM 916 N ALA A 57 6.108 0.086 -13.978 1.00 23.45 N ATOM 917 CA ALA A 57 6.395 0.959 -12.823 1.00 42.13 C ATOM 918 C ALA A 57 7.713 0.533 -12.147 1.00 53.15 C ATOM 919 O ALA A 57 7.872 -0.631 -11.754 1.00 31.30 O ATOM 920 CB ALA A 57 5.228 0.929 -11.810 1.00 4.24 C ATOM 0 H ALA A 57 6.350 -0.892 -13.820 1.00 23.45 H new ATOM 0 HA ALA A 57 6.504 1.982 -13.182 1.00 42.13 H new ATOM 0 HB1 ALA A 57 5.461 1.579 -10.967 1.00 4.24 H new ATOM 0 HB2 ALA A 57 4.316 1.277 -12.295 1.00 4.24 H new ATOM 0 HB3 ALA A 57 5.083 -0.090 -11.452 1.00 4.24 H new ATOM 926 N GLY A 58 8.656 1.483 -12.028 1.00 23.42 N ATOM 927 CA GLY A 58 9.937 1.243 -11.356 1.00 73.13 C ATOM 928 C GLY A 58 9.852 1.444 -9.840 1.00 72.34 C ATOM 929 O GLY A 58 9.068 2.270 -9.357 1.00 4.44 O ATOM 0 H GLY A 58 8.550 2.430 -12.393 1.00 23.42 H new ATOM 0 HA2 GLY A 58 10.269 0.226 -11.566 1.00 73.13 H new ATOM 0 HA3 GLY A 58 10.690 1.915 -11.767 1.00 73.13 H new ATOM 933 N ILE A 59 10.658 0.684 -9.088 1.00 14.35 N ATOM 934 CA ILE A 59 10.740 0.805 -7.615 1.00 65.14 C ATOM 935 C ILE A 59 11.738 1.932 -7.259 1.00 72.34 C ATOM 936 O ILE A 59 12.835 1.987 -7.829 1.00 13.31 O ATOM 937 CB ILE A 59 11.183 -0.554 -6.918 1.00 63.11 C ATOM 938 CG1 ILE A 59 10.142 -1.710 -7.163 1.00 20.25 C ATOM 939 CG2 ILE A 59 11.419 -0.355 -5.388 1.00 44.14 C ATOM 940 CD1 ILE A 59 10.065 -2.255 -8.584 1.00 1.43 C ATOM 0 H ILE A 59 11.272 -0.032 -9.476 1.00 14.35 H new ATOM 0 HA ILE A 59 9.744 1.043 -7.240 1.00 65.14 H new ATOM 0 HB ILE A 59 12.125 -0.850 -7.380 1.00 63.11 H new ATOM 0 HG12 ILE A 59 10.382 -2.535 -6.492 1.00 20.25 H new ATOM 0 HG13 ILE A 59 9.154 -1.347 -6.881 1.00 20.25 H new ATOM 0 HG21 ILE A 59 11.721 -1.302 -4.940 1.00 44.14 H new ATOM 0 HG22 ILE A 59 12.204 0.386 -5.234 1.00 44.14 H new ATOM 0 HG23 ILE A 59 10.497 -0.009 -4.920 1.00 44.14 H new ATOM 0 HD11 ILE A 59 9.315 -3.045 -8.631 1.00 1.43 H new ATOM 0 HD12 ILE A 59 9.789 -1.452 -9.267 1.00 1.43 H new ATOM 0 HD13 ILE A 59 11.036 -2.659 -8.872 1.00 1.43 H new ATOM 952 N VAL A 60 11.360 2.828 -6.326 1.00 74.10 N ATOM 953 CA VAL A 60 12.240 3.933 -5.877 1.00 64.12 C ATOM 954 C VAL A 60 13.185 3.424 -4.763 1.00 75.41 C ATOM 955 O VAL A 60 14.410 3.521 -4.871 1.00 74.21 O ATOM 956 CB VAL A 60 11.403 5.159 -5.339 1.00 1.12 C ATOM 957 CG1 VAL A 60 12.313 6.359 -4.956 1.00 53.14 C ATOM 958 CG2 VAL A 60 10.308 5.582 -6.348 1.00 3.31 C ATOM 0 H VAL A 60 10.450 2.811 -5.866 1.00 74.10 H new ATOM 0 HA VAL A 60 12.821 4.271 -6.735 1.00 64.12 H new ATOM 0 HB VAL A 60 10.904 4.830 -4.427 1.00 1.12 H new ATOM 0 HG11 VAL A 60 11.697 7.181 -4.591 1.00 53.14 H new ATOM 0 HG12 VAL A 60 13.009 6.053 -4.175 1.00 53.14 H new ATOM 0 HG13 VAL A 60 12.872 6.686 -5.833 1.00 53.14 H new ATOM 0 HG21 VAL A 60 9.751 6.428 -5.946 1.00 3.31 H new ATOM 0 HG22 VAL A 60 10.773 5.869 -7.291 1.00 3.31 H new ATOM 0 HG23 VAL A 60 9.628 4.747 -6.518 1.00 3.31 H new ATOM 968 N ALA A 61 12.576 2.851 -3.707 1.00 61.23 N ATOM 969 CA ALA A 61 13.291 2.342 -2.516 1.00 3.20 C ATOM 970 C ALA A 61 12.463 1.234 -1.820 1.00 51.32 C ATOM 971 O ALA A 61 11.232 1.257 -1.865 1.00 60.41 O ATOM 972 CB ALA A 61 13.591 3.498 -1.540 1.00 62.14 C ATOM 0 H ALA A 61 11.565 2.726 -3.654 1.00 61.23 H new ATOM 0 HA ALA A 61 14.238 1.907 -2.835 1.00 3.20 H new ATOM 0 HB1 ALA A 61 14.117 3.110 -0.668 1.00 62.14 H new ATOM 0 HB2 ALA A 61 14.213 4.242 -2.038 1.00 62.14 H new ATOM 0 HB3 ALA A 61 12.655 3.959 -1.224 1.00 62.14 H new ATOM 978 N ILE A 62 13.152 0.269 -1.193 1.00 25.14 N ATOM 979 CA ILE A 62 12.512 -0.865 -0.475 1.00 73.13 C ATOM 980 C ILE A 62 13.513 -1.534 0.504 1.00 15.21 C ATOM 981 O ILE A 62 14.719 -1.569 0.244 1.00 44.22 O ATOM 982 CB ILE A 62 11.932 -1.951 -1.483 1.00 30.25 C ATOM 983 CG1 ILE A 62 11.330 -3.184 -0.716 1.00 10.11 C ATOM 984 CG2 ILE A 62 12.996 -2.386 -2.521 1.00 50.22 C ATOM 985 CD1 ILE A 62 10.814 -4.309 -1.588 1.00 44.14 C ATOM 0 H ILE A 62 14.171 0.245 -1.164 1.00 25.14 H new ATOM 0 HA ILE A 62 11.678 -0.453 0.094 1.00 73.13 H new ATOM 0 HB ILE A 62 11.116 -1.484 -2.034 1.00 30.25 H new ATOM 0 HG12 ILE A 62 12.096 -3.585 -0.052 1.00 10.11 H new ATOM 0 HG13 ILE A 62 10.513 -2.833 -0.085 1.00 10.11 H new ATOM 0 HG21 ILE A 62 12.566 -3.128 -3.194 1.00 50.22 H new ATOM 0 HG22 ILE A 62 13.319 -1.518 -3.097 1.00 50.22 H new ATOM 0 HG23 ILE A 62 13.853 -2.818 -2.004 1.00 50.22 H new ATOM 0 HD11 ILE A 62 10.422 -5.107 -0.958 1.00 44.14 H new ATOM 0 HD12 ILE A 62 10.021 -3.934 -2.234 1.00 44.14 H new ATOM 0 HD13 ILE A 62 11.628 -4.697 -2.200 1.00 44.14 H new ATOM 997 N ARG A 63 12.991 -2.070 1.626 1.00 14.24 N ATOM 998 CA ARG A 63 13.782 -2.872 2.582 1.00 3.50 C ATOM 999 C ARG A 63 12.824 -3.805 3.370 1.00 53.52 C ATOM 1000 O ARG A 63 12.113 -3.348 4.276 1.00 75.35 O ATOM 1001 CB ARG A 63 14.630 -1.947 3.526 1.00 60.34 C ATOM 1002 CG ARG A 63 15.824 -2.629 4.258 1.00 13.25 C ATOM 1003 CD ARG A 63 15.409 -3.552 5.421 1.00 5.43 C ATOM 1004 NE ARG A 63 16.564 -4.205 6.060 1.00 43.25 N ATOM 1005 CZ ARG A 63 16.651 -4.520 7.334 1.00 21.54 C ATOM 1006 NH1 ARG A 63 15.731 -4.173 8.186 1.00 72.23 N ATOM 1007 NH2 ARG A 63 17.689 -5.159 7.754 1.00 2.15 N ATOM 0 H ARG A 63 12.013 -1.960 1.894 1.00 14.24 H new ATOM 0 HA ARG A 63 14.498 -3.492 2.042 1.00 3.50 H new ATOM 0 HB2 ARG A 63 15.018 -1.117 2.936 1.00 60.34 H new ATOM 0 HB3 ARG A 63 13.965 -1.521 4.277 1.00 60.34 H new ATOM 0 HG2 ARG A 63 16.395 -3.210 3.534 1.00 13.25 H new ATOM 0 HG3 ARG A 63 16.489 -1.856 4.642 1.00 13.25 H new ATOM 0 HD2 ARG A 63 14.866 -2.971 6.166 1.00 5.43 H new ATOM 0 HD3 ARG A 63 14.724 -4.314 5.050 1.00 5.43 H new ATOM 0 HE ARG A 63 17.362 -4.431 5.466 1.00 43.25 H new ATOM 0 HH11 ARG A 63 14.918 -3.644 7.871 1.00 72.23 H new ATOM 0 HH12 ARG A 63 15.823 -4.430 9.169 1.00 72.23 H new ATOM 0 HH21 ARG A 63 18.430 -5.414 7.101 1.00 2.15 H new ATOM 0 HH22 ARG A 63 17.769 -5.410 8.739 1.00 2.15 H new ATOM 1021 N ALA A 64 12.832 -5.109 2.996 1.00 65.02 N ATOM 1022 CA ALA A 64 12.041 -6.197 3.638 1.00 42.23 C ATOM 1023 C ALA A 64 10.509 -5.910 3.664 1.00 64.34 C ATOM 1024 O ALA A 64 9.766 -6.371 2.788 1.00 41.52 O ATOM 1025 CB ALA A 64 12.588 -6.530 5.044 1.00 44.13 C ATOM 0 H ALA A 64 13.402 -5.445 2.220 1.00 65.02 H new ATOM 0 HA ALA A 64 12.165 -7.080 3.011 1.00 42.23 H new ATOM 0 HB1 ALA A 64 11.991 -7.327 5.487 1.00 44.13 H new ATOM 0 HB2 ALA A 64 13.625 -6.856 4.963 1.00 44.13 H new ATOM 0 HB3 ALA A 64 12.534 -5.643 5.675 1.00 44.13 H new ATOM 1031 N TYR A 65 10.059 -5.131 4.670 1.00 63.51 N ATOM 1032 CA TYR A 65 8.643 -4.714 4.830 1.00 14.45 C ATOM 1033 C TYR A 65 8.539 -3.368 5.606 1.00 0.20 C ATOM 1034 O TYR A 65 7.441 -2.841 5.815 1.00 53.02 O ATOM 1035 CB TYR A 65 7.833 -5.838 5.538 1.00 1.45 C ATOM 1036 CG TYR A 65 8.252 -6.143 6.994 1.00 54.05 C ATOM 1037 CD1 TYR A 65 9.365 -6.942 7.284 1.00 12.32 C ATOM 1038 CD2 TYR A 65 7.514 -5.654 8.077 1.00 42.50 C ATOM 1039 CE1 TYR A 65 9.728 -7.224 8.592 1.00 11.42 C ATOM 1040 CE2 TYR A 65 7.870 -5.937 9.382 1.00 32.24 C ATOM 1041 CZ TYR A 65 8.972 -6.723 9.638 1.00 74.22 C ATOM 1042 OH TYR A 65 9.318 -7.009 10.945 1.00 64.12 O ATOM 0 H TYR A 65 10.670 -4.769 5.402 1.00 63.51 H new ATOM 0 HA TYR A 65 8.215 -4.552 3.841 1.00 14.45 H new ATOM 0 HB2 TYR A 65 6.779 -5.561 5.532 1.00 1.45 H new ATOM 0 HB3 TYR A 65 7.926 -6.753 4.952 1.00 1.45 H new ATOM 0 HD1 TYR A 65 9.952 -7.346 6.473 1.00 12.32 H new ATOM 0 HD2 TYR A 65 6.645 -5.041 7.889 1.00 42.50 H new ATOM 0 HE1 TYR A 65 10.597 -7.832 8.794 1.00 11.42 H new ATOM 0 HE2 TYR A 65 7.285 -5.543 10.200 1.00 32.24 H new ATOM 0 HH TYR A 65 8.682 -6.578 11.554 1.00 64.12 H new ATOM 1052 N SER A 66 9.707 -2.810 5.995 1.00 31.43 N ATOM 1053 CA SER A 66 9.810 -1.531 6.747 1.00 72.22 C ATOM 1054 C SER A 66 9.362 -0.317 5.898 1.00 51.32 C ATOM 1055 O SER A 66 8.984 0.718 6.447 1.00 4.02 O ATOM 1056 CB SER A 66 11.271 -1.322 7.221 1.00 42.44 C ATOM 1057 OG SER A 66 11.751 -2.431 7.981 1.00 24.51 O ATOM 0 H SER A 66 10.613 -3.234 5.797 1.00 31.43 H new ATOM 0 HA SER A 66 9.141 -1.599 7.605 1.00 72.22 H new ATOM 0 HB2 SER A 66 11.915 -1.170 6.355 1.00 42.44 H new ATOM 0 HB3 SER A 66 11.330 -0.416 7.824 1.00 42.44 H new ATOM 0 HG SER A 66 12.675 -2.261 8.259 1.00 24.51 H new ATOM 1063 N PHE A 67 9.420 -0.485 4.560 1.00 3.33 N ATOM 1064 CA PHE A 67 9.028 0.534 3.557 1.00 45.32 C ATOM 1065 C PHE A 67 9.191 -0.046 2.132 1.00 1.32 C ATOM 1066 O PHE A 67 10.115 -0.833 1.876 1.00 24.02 O ATOM 1067 CB PHE A 67 9.822 1.880 3.696 1.00 14.24 C ATOM 1068 CG PHE A 67 11.344 1.796 3.502 1.00 22.40 C ATOM 1069 CD1 PHE A 67 12.192 1.525 4.576 1.00 43.42 C ATOM 1070 CD2 PHE A 67 11.927 1.997 2.246 1.00 13.25 C ATOM 1071 CE1 PHE A 67 13.563 1.466 4.405 1.00 51.31 C ATOM 1072 CE2 PHE A 67 13.295 1.941 2.077 1.00 51.44 C ATOM 1073 CZ PHE A 67 14.114 1.670 3.153 1.00 51.22 C ATOM 0 H PHE A 67 9.748 -1.352 4.135 1.00 3.33 H new ATOM 0 HA PHE A 67 7.982 0.778 3.743 1.00 45.32 H new ATOM 0 HB2 PHE A 67 9.423 2.589 2.970 1.00 14.24 H new ATOM 0 HB3 PHE A 67 9.626 2.292 4.686 1.00 14.24 H new ATOM 0 HD1 PHE A 67 11.771 1.359 5.557 1.00 43.42 H new ATOM 0 HD2 PHE A 67 11.295 2.200 1.394 1.00 13.25 H new ATOM 0 HE1 PHE A 67 14.204 1.260 5.250 1.00 51.31 H new ATOM 0 HE2 PHE A 67 13.725 2.110 1.101 1.00 51.44 H new ATOM 0 HZ PHE A 67 15.184 1.617 3.018 1.00 51.22 H new ATOM 1083 N ILE A 68 8.274 0.326 1.224 1.00 13.25 N ATOM 1084 CA ILE A 68 8.365 -0.028 -0.207 1.00 51.23 C ATOM 1085 C ILE A 68 7.685 1.046 -1.080 1.00 52.43 C ATOM 1086 O ILE A 68 6.571 1.472 -0.807 1.00 73.11 O ATOM 1087 CB ILE A 68 7.765 -1.450 -0.510 1.00 22.25 C ATOM 1088 CG1 ILE A 68 7.934 -1.819 -2.020 1.00 73.45 C ATOM 1089 CG2 ILE A 68 6.287 -1.542 -0.064 1.00 41.14 C ATOM 1090 CD1 ILE A 68 7.453 -3.205 -2.384 1.00 11.21 C ATOM 0 H ILE A 68 7.450 0.879 1.458 1.00 13.25 H new ATOM 0 HA ILE A 68 9.425 -0.066 -0.459 1.00 51.23 H new ATOM 0 HB ILE A 68 8.325 -2.181 0.073 1.00 22.25 H new ATOM 0 HG12 ILE A 68 7.391 -1.090 -2.622 1.00 73.45 H new ATOM 0 HG13 ILE A 68 8.987 -1.732 -2.287 1.00 73.45 H new ATOM 0 HG21 ILE A 68 5.901 -2.537 -0.287 1.00 41.14 H new ATOM 0 HG22 ILE A 68 6.218 -1.358 1.008 1.00 41.14 H new ATOM 0 HG23 ILE A 68 5.699 -0.796 -0.599 1.00 41.14 H new ATOM 0 HD11 ILE A 68 7.608 -3.376 -3.449 1.00 11.21 H new ATOM 0 HD12 ILE A 68 8.012 -3.946 -1.812 1.00 11.21 H new ATOM 0 HD13 ILE A 68 6.391 -3.294 -2.153 1.00 11.21 H new ATOM 1102 N ARG A 69 8.393 1.478 -2.135 1.00 74.54 N ATOM 1103 CA ARG A 69 8.006 2.637 -2.962 1.00 74.25 C ATOM 1104 C ARG A 69 7.835 2.234 -4.439 1.00 52.41 C ATOM 1105 O ARG A 69 8.761 1.690 -5.043 1.00 73.11 O ATOM 1106 CB ARG A 69 9.091 3.750 -2.852 1.00 51.30 C ATOM 1107 CG ARG A 69 9.162 4.492 -1.496 1.00 42.50 C ATOM 1108 CD ARG A 69 9.843 3.718 -0.352 1.00 14.23 C ATOM 1109 NE ARG A 69 9.574 4.332 0.958 1.00 2.31 N ATOM 1110 CZ ARG A 69 10.318 5.238 1.555 1.00 73.01 C ATOM 1111 NH1 ARG A 69 11.425 5.671 1.027 1.00 1.30 N ATOM 1112 NH2 ARG A 69 9.930 5.704 2.692 1.00 22.12 N ATOM 0 H ARG A 69 9.257 1.031 -2.442 1.00 74.54 H new ATOM 0 HA ARG A 69 7.051 3.012 -2.593 1.00 74.25 H new ATOM 0 HB2 ARG A 69 10.065 3.302 -3.051 1.00 51.30 H new ATOM 0 HB3 ARG A 69 8.912 4.484 -3.637 1.00 51.30 H new ATOM 0 HG2 ARG A 69 9.695 5.432 -1.643 1.00 42.50 H new ATOM 0 HG3 ARG A 69 8.148 4.745 -1.187 1.00 42.50 H new ATOM 0 HD2 ARG A 69 9.490 2.687 -0.350 1.00 14.23 H new ATOM 0 HD3 ARG A 69 10.919 3.686 -0.525 1.00 14.23 H new ATOM 0 HE ARG A 69 8.733 4.027 1.448 1.00 2.31 H new ATOM 0 HH11 ARG A 69 11.737 5.307 0.127 1.00 1.30 H new ATOM 0 HH12 ARG A 69 11.981 6.374 1.513 1.00 1.30 H new ATOM 0 HH21 ARG A 69 9.062 5.370 3.111 1.00 22.12 H new ATOM 0 HH22 ARG A 69 10.491 6.407 3.173 1.00 22.12 H new ATOM 1126 N PHE A 70 6.654 2.514 -5.013 1.00 33.03 N ATOM 1127 CA PHE A 70 6.405 2.363 -6.467 1.00 63.12 C ATOM 1128 C PHE A 70 6.180 3.734 -7.128 1.00 12.30 C ATOM 1129 O PHE A 70 5.616 4.656 -6.517 1.00 42.42 O ATOM 1130 CB PHE A 70 5.197 1.431 -6.742 1.00 42.40 C ATOM 1131 CG PHE A 70 5.494 -0.040 -6.488 1.00 22.22 C ATOM 1132 CD1 PHE A 70 6.018 -0.845 -7.504 1.00 64.23 C ATOM 1133 CD2 PHE A 70 5.264 -0.618 -5.246 1.00 20.41 C ATOM 1134 CE1 PHE A 70 6.304 -2.174 -7.276 1.00 21.01 C ATOM 1135 CE2 PHE A 70 5.551 -1.944 -5.026 1.00 64.34 C ATOM 1136 CZ PHE A 70 6.069 -2.724 -6.038 1.00 73.21 C ATOM 0 H PHE A 70 5.845 2.850 -4.491 1.00 33.03 H new ATOM 0 HA PHE A 70 7.292 1.904 -6.904 1.00 63.12 H new ATOM 0 HB2 PHE A 70 4.361 1.738 -6.114 1.00 42.40 H new ATOM 0 HB3 PHE A 70 4.880 1.556 -7.777 1.00 42.40 H new ATOM 0 HD1 PHE A 70 6.201 -0.420 -8.480 1.00 64.23 H new ATOM 0 HD2 PHE A 70 4.856 -0.019 -4.445 1.00 20.41 H new ATOM 0 HE1 PHE A 70 6.712 -2.783 -8.069 1.00 21.01 H new ATOM 0 HE2 PHE A 70 5.370 -2.378 -4.054 1.00 64.34 H new ATOM 0 HZ PHE A 70 6.290 -3.766 -5.858 1.00 73.21 H new ATOM 1146 N HIS A 71 6.626 3.839 -8.386 1.00 3.12 N ATOM 1147 CA HIS A 71 6.536 5.071 -9.182 1.00 25.40 C ATOM 1148 C HIS A 71 6.605 4.696 -10.678 1.00 51.54 C ATOM 1149 O HIS A 71 7.464 3.907 -11.077 1.00 24.34 O ATOM 1150 CB HIS A 71 7.694 6.024 -8.780 1.00 74.41 C ATOM 1151 CG HIS A 71 7.501 7.460 -9.177 1.00 73.33 C ATOM 1152 ND1 HIS A 71 6.589 8.280 -8.558 1.00 21.34 N ATOM 1153 CD2 HIS A 71 8.107 8.223 -10.110 1.00 24.44 C ATOM 1154 CE1 HIS A 71 6.643 9.480 -9.088 1.00 54.21 C ATOM 1155 NE2 HIS A 71 7.551 9.479 -10.035 1.00 62.30 N ATOM 0 H HIS A 71 7.064 3.065 -8.885 1.00 3.12 H new ATOM 0 HA HIS A 71 5.595 5.588 -8.996 1.00 25.40 H new ATOM 0 HB2 HIS A 71 7.825 5.976 -7.699 1.00 74.41 H new ATOM 0 HB3 HIS A 71 8.617 5.659 -9.230 1.00 74.41 H new ATOM 0 HD1 HIS A 71 5.965 7.999 -7.802 1.00 21.34 H new ATOM 0 HD2 HIS A 71 8.884 7.906 -10.790 1.00 24.44 H new ATOM 0 HE1 HIS A 71 6.041 10.327 -8.794 1.00 54.21 H new ATOM 1164 N TRP A 72 5.712 5.265 -11.498 1.00 22.14 N ATOM 1165 CA TRP A 72 5.562 4.860 -12.917 1.00 61.25 C ATOM 1166 C TRP A 72 6.768 5.289 -13.778 1.00 53.04 C ATOM 1167 O TRP A 72 7.487 6.234 -13.441 1.00 13.45 O ATOM 1168 CB TRP A 72 4.257 5.440 -13.504 1.00 22.43 C ATOM 1169 CG TRP A 72 3.015 5.016 -12.759 1.00 3.45 C ATOM 1170 CD1 TRP A 72 2.371 5.712 -11.784 1.00 63.13 C ATOM 1171 CD2 TRP A 72 2.284 3.792 -12.924 1.00 61.13 C ATOM 1172 NE1 TRP A 72 1.288 5.011 -11.333 1.00 44.15 N ATOM 1173 CE2 TRP A 72 1.213 3.825 -12.012 1.00 32.51 C ATOM 1174 CE3 TRP A 72 2.431 2.677 -13.752 1.00 4.44 C ATOM 1175 CZ2 TRP A 72 0.295 2.786 -11.902 1.00 63.12 C ATOM 1176 CZ3 TRP A 72 1.519 1.646 -13.644 1.00 71.53 C ATOM 1177 CH2 TRP A 72 0.463 1.704 -12.724 1.00 54.20 C ATOM 0 H TRP A 72 5.077 6.010 -11.210 1.00 22.14 H new ATOM 0 HA TRP A 72 5.518 3.771 -12.939 1.00 61.25 H new ATOM 0 HB2 TRP A 72 4.319 6.528 -13.499 1.00 22.43 H new ATOM 0 HB3 TRP A 72 4.169 5.131 -14.545 1.00 22.43 H new ATOM 0 HD1 TRP A 72 2.673 6.682 -11.418 1.00 63.13 H new ATOM 0 HE1 TRP A 72 0.641 5.321 -10.608 1.00 44.15 H new ATOM 0 HE3 TRP A 72 3.242 2.622 -14.463 1.00 4.44 H new ATOM 0 HZ2 TRP A 72 -0.520 2.831 -11.195 1.00 63.12 H new ATOM 0 HZ3 TRP A 72 1.621 0.779 -14.280 1.00 71.53 H new ATOM 0 HH2 TRP A 72 -0.232 0.879 -12.662 1.00 54.20 H new ATOM 1188 N LEU A 73 6.993 4.564 -14.885 1.00 22.33 N ATOM 1189 CA LEU A 73 8.024 4.936 -15.875 1.00 63.22 C ATOM 1190 C LEU A 73 7.527 6.124 -16.739 1.00 45.31 C ATOM 1191 O LEU A 73 8.319 6.963 -17.185 1.00 32.13 O ATOM 1192 CB LEU A 73 8.399 3.711 -16.750 1.00 2.12 C ATOM 1193 CG LEU A 73 9.063 2.495 -16.013 1.00 11.53 C ATOM 1194 CD1 LEU A 73 9.629 1.480 -17.028 1.00 55.02 C ATOM 1195 CD2 LEU A 73 10.146 2.944 -15.001 1.00 13.44 C ATOM 0 H LEU A 73 6.476 3.716 -15.120 1.00 22.33 H new ATOM 0 HA LEU A 73 8.925 5.256 -15.352 1.00 63.22 H new ATOM 0 HB2 LEU A 73 7.495 3.357 -17.245 1.00 2.12 H new ATOM 0 HB3 LEU A 73 9.079 4.047 -17.532 1.00 2.12 H new ATOM 0 HG LEU A 73 8.281 2.000 -15.437 1.00 11.53 H new ATOM 0 HD11 LEU A 73 10.084 0.646 -16.493 1.00 55.02 H new ATOM 0 HD12 LEU A 73 8.822 1.109 -17.660 1.00 55.02 H new ATOM 0 HD13 LEU A 73 10.381 1.967 -17.649 1.00 55.02 H new ATOM 0 HD21 LEU A 73 10.577 2.068 -14.516 1.00 13.44 H new ATOM 0 HD22 LEU A 73 10.930 3.490 -15.525 1.00 13.44 H new ATOM 0 HD23 LEU A 73 9.695 3.590 -14.248 1.00 13.44 H new ATOM 1207 N ASP A 74 6.200 6.171 -16.955 1.00 31.50 N ATOM 1208 CA ASP A 74 5.506 7.301 -17.612 1.00 43.52 C ATOM 1209 C ASP A 74 5.464 8.554 -16.687 1.00 64.13 C ATOM 1210 O ASP A 74 5.920 9.639 -17.086 1.00 60.44 O ATOM 1211 CB ASP A 74 4.088 6.860 -18.087 1.00 22.41 C ATOM 1212 CG ASP A 74 3.278 6.096 -17.020 1.00 61.33 C ATOM 1213 OD1 ASP A 74 3.603 4.920 -16.746 1.00 50.04 O ATOM 1214 OD2 ASP A 74 2.316 6.658 -16.452 1.00 20.11 O ATOM 0 H ASP A 74 5.570 5.419 -16.676 1.00 31.50 H new ATOM 0 HA ASP A 74 6.071 7.593 -18.497 1.00 43.52 H new ATOM 0 HB2 ASP A 74 3.527 7.744 -18.391 1.00 22.41 H new ATOM 0 HB3 ASP A 74 4.192 6.229 -18.970 1.00 22.41 H new ATOM 1219 N ASP A 75 4.935 8.407 -15.448 1.00 24.44 N ATOM 1220 CA ASP A 75 5.038 9.467 -14.412 1.00 72.23 C ATOM 1221 C ASP A 75 6.425 9.378 -13.738 1.00 52.22 C ATOM 1222 O ASP A 75 6.584 8.737 -12.697 1.00 35.31 O ATOM 1223 CB ASP A 75 3.894 9.362 -13.354 1.00 65.41 C ATOM 1224 CG ASP A 75 3.870 10.559 -12.365 1.00 12.10 C ATOM 1225 OD1 ASP A 75 4.561 10.521 -11.316 1.00 31.24 O ATOM 1226 OD2 ASP A 75 3.172 11.550 -12.638 1.00 14.22 O ATOM 0 H ASP A 75 4.436 7.572 -15.142 1.00 24.44 H new ATOM 0 HA ASP A 75 4.927 10.438 -14.894 1.00 72.23 H new ATOM 0 HB2 ASP A 75 2.935 9.304 -13.869 1.00 65.41 H new ATOM 0 HB3 ASP A 75 4.011 8.436 -12.792 1.00 65.41 H new ATOM 1231 N GLU A 76 7.439 9.989 -14.376 1.00 72.15 N ATOM 1232 CA GLU A 76 8.833 9.950 -13.884 1.00 32.41 C ATOM 1233 C GLU A 76 9.036 10.867 -12.649 1.00 11.20 C ATOM 1234 O GLU A 76 9.843 10.552 -11.766 1.00 55.31 O ATOM 1235 CB GLU A 76 9.826 10.323 -15.018 1.00 24.43 C ATOM 1236 CG GLU A 76 9.662 11.745 -15.594 1.00 12.42 C ATOM 1237 CD GLU A 76 10.733 12.093 -16.644 1.00 32.02 C ATOM 1238 OE1 GLU A 76 11.824 12.566 -16.259 1.00 24.11 O ATOM 1239 OE2 GLU A 76 10.495 11.882 -17.854 1.00 12.33 O ATOM 0 H GLU A 76 7.320 10.520 -15.239 1.00 72.15 H new ATOM 0 HA GLU A 76 9.038 8.928 -13.566 1.00 32.41 H new ATOM 0 HB2 GLU A 76 10.842 10.217 -14.638 1.00 24.43 H new ATOM 0 HB3 GLU A 76 9.712 9.604 -15.830 1.00 24.43 H new ATOM 0 HG2 GLU A 76 8.674 11.837 -16.046 1.00 12.42 H new ATOM 0 HG3 GLU A 76 9.709 12.469 -14.780 1.00 12.42 H new ATOM 1246 N ASN A 77 8.271 11.979 -12.579 1.00 11.21 N ATOM 1247 CA ASN A 77 8.347 12.952 -11.461 1.00 23.12 C ATOM 1248 C ASN A 77 7.158 13.943 -11.512 1.00 14.02 C ATOM 1249 O ASN A 77 7.202 14.935 -12.250 1.00 24.32 O ATOM 1250 CB ASN A 77 9.707 13.724 -11.492 1.00 50.22 C ATOM 1251 CG ASN A 77 9.905 14.669 -10.297 1.00 62.41 C ATOM 1252 OD1 ASN A 77 9.569 15.844 -10.353 1.00 43.21 O ATOM 1253 ND2 ASN A 77 10.441 14.159 -9.204 1.00 5.11 N ATOM 0 H ASN A 77 7.585 12.229 -13.292 1.00 11.21 H new ATOM 0 HA ASN A 77 8.288 12.397 -10.525 1.00 23.12 H new ATOM 0 HB2 ASN A 77 10.524 13.003 -11.514 1.00 50.22 H new ATOM 0 HB3 ASN A 77 9.767 14.301 -12.415 1.00 50.22 H new ATOM 0 HD21 ASN A 77 10.583 14.747 -8.383 1.00 5.11 H new ATOM 0 HD22 ASN A 77 10.714 13.176 -9.180 1.00 5.11 H new ATOM 1260 N GLU A 78 6.082 13.642 -10.756 1.00 21.41 N ATOM 1261 CA GLU A 78 4.974 14.596 -10.530 1.00 74.34 C ATOM 1262 C GLU A 78 4.232 14.297 -9.199 1.00 34.52 C ATOM 1263 O GLU A 78 4.592 14.852 -8.154 1.00 71.52 O ATOM 1264 CB GLU A 78 3.994 14.617 -11.740 1.00 13.12 C ATOM 1265 CG GLU A 78 2.865 15.658 -11.628 1.00 64.44 C ATOM 1266 CD GLU A 78 1.931 15.692 -12.848 1.00 44.20 C ATOM 1267 OE1 GLU A 78 0.921 14.955 -12.859 1.00 42.53 O ATOM 1268 OE2 GLU A 78 2.204 16.458 -13.803 1.00 1.44 O ATOM 0 H GLU A 78 5.956 12.743 -10.290 1.00 21.41 H new ATOM 0 HA GLU A 78 5.407 15.592 -10.442 1.00 74.34 H new ATOM 0 HB2 GLU A 78 4.563 14.813 -12.649 1.00 13.12 H new ATOM 0 HB3 GLU A 78 3.550 13.628 -11.849 1.00 13.12 H new ATOM 0 HG2 GLU A 78 2.275 15.446 -10.736 1.00 64.44 H new ATOM 0 HG3 GLU A 78 3.306 16.645 -11.492 1.00 64.44 H new ATOM 1275 N ARG A 79 3.207 13.407 -9.226 1.00 63.25 N ATOM 1276 CA ARG A 79 2.303 13.184 -8.055 1.00 30.33 C ATOM 1277 C ARG A 79 1.941 11.698 -7.832 1.00 20.30 C ATOM 1278 O ARG A 79 1.370 11.368 -6.784 1.00 31.01 O ATOM 1279 CB ARG A 79 0.998 14.033 -8.201 1.00 41.41 C ATOM 1280 CG ARG A 79 1.190 15.560 -8.021 1.00 42.15 C ATOM 1281 CD ARG A 79 -0.088 16.370 -8.313 1.00 12.14 C ATOM 1282 NE ARG A 79 -0.548 16.186 -9.702 1.00 22.01 N ATOM 1283 CZ ARG A 79 -0.841 17.147 -10.558 1.00 3.12 C ATOM 1284 NH1 ARG A 79 -0.739 18.402 -10.237 1.00 14.52 N ATOM 1285 NH2 ARG A 79 -1.217 16.834 -11.754 1.00 53.14 N ATOM 0 H ARG A 79 2.982 12.833 -10.038 1.00 63.25 H new ATOM 0 HA ARG A 79 2.861 13.508 -7.176 1.00 30.33 H new ATOM 0 HB2 ARG A 79 0.570 13.849 -9.187 1.00 41.41 H new ATOM 0 HB3 ARG A 79 0.271 13.684 -7.468 1.00 41.41 H new ATOM 0 HG2 ARG A 79 1.515 15.761 -7.000 1.00 42.15 H new ATOM 0 HG3 ARG A 79 1.987 15.900 -8.682 1.00 42.15 H new ATOM 0 HD2 ARG A 79 -0.877 16.065 -7.625 1.00 12.14 H new ATOM 0 HD3 ARG A 79 0.102 17.428 -8.130 1.00 12.14 H new ATOM 0 HE ARG A 79 -0.649 15.226 -10.032 1.00 22.01 H new ATOM 0 HH11 ARG A 79 -0.426 18.666 -9.303 1.00 14.52 H new ATOM 0 HH12 ARG A 79 -0.972 19.123 -10.919 1.00 14.52 H new ATOM 0 HH21 ARG A 79 -1.285 15.854 -12.027 1.00 53.14 H new ATOM 0 HH22 ARG A 79 -1.446 17.567 -12.425 1.00 53.14 H new ATOM 1299 N ASP A 80 2.249 10.807 -8.799 1.00 61.32 N ATOM 1300 CA ASP A 80 1.975 9.352 -8.655 1.00 23.12 C ATOM 1301 C ASP A 80 3.097 8.638 -7.855 1.00 25.15 C ATOM 1302 O ASP A 80 3.822 7.775 -8.365 1.00 20.31 O ATOM 1303 CB ASP A 80 1.758 8.701 -10.043 1.00 75.11 C ATOM 1304 CG ASP A 80 0.392 9.024 -10.666 1.00 24.52 C ATOM 1305 OD1 ASP A 80 0.117 10.211 -10.961 1.00 54.03 O ATOM 1306 OD2 ASP A 80 -0.431 8.094 -10.849 1.00 70.13 O ATOM 0 H ASP A 80 2.685 11.063 -9.685 1.00 61.32 H new ATOM 0 HA ASP A 80 1.055 9.235 -8.082 1.00 23.12 H new ATOM 0 HB2 ASP A 80 2.545 9.036 -10.719 1.00 75.11 H new ATOM 0 HB3 ASP A 80 1.858 7.620 -9.948 1.00 75.11 H new ATOM 1311 N TYR A 81 3.226 9.038 -6.583 1.00 10.14 N ATOM 1312 CA TYR A 81 4.140 8.427 -5.609 1.00 12.21 C ATOM 1313 C TYR A 81 3.321 7.919 -4.408 1.00 64.01 C ATOM 1314 O TYR A 81 2.695 8.706 -3.691 1.00 34.43 O ATOM 1315 CB TYR A 81 5.217 9.459 -5.157 1.00 53.34 C ATOM 1316 CG TYR A 81 6.189 8.950 -4.065 1.00 44.34 C ATOM 1317 CD1 TYR A 81 7.340 8.217 -4.391 1.00 4.12 C ATOM 1318 CD2 TYR A 81 5.956 9.210 -2.705 1.00 2.20 C ATOM 1319 CE1 TYR A 81 8.210 7.775 -3.404 1.00 55.31 C ATOM 1320 CE2 TYR A 81 6.819 8.767 -1.727 1.00 33.04 C ATOM 1321 CZ TYR A 81 7.941 8.055 -2.075 1.00 53.23 C ATOM 1322 OH TYR A 81 8.803 7.627 -1.084 1.00 15.44 O ATOM 0 H TYR A 81 2.687 9.812 -6.194 1.00 10.14 H new ATOM 0 HA TYR A 81 4.661 7.586 -6.066 1.00 12.21 H new ATOM 0 HB2 TYR A 81 5.798 9.761 -6.028 1.00 53.34 H new ATOM 0 HB3 TYR A 81 4.712 10.351 -4.786 1.00 53.34 H new ATOM 0 HD1 TYR A 81 7.552 7.993 -5.426 1.00 4.12 H new ATOM 0 HD2 TYR A 81 5.079 9.771 -2.419 1.00 2.20 H new ATOM 0 HE1 TYR A 81 9.094 7.215 -3.672 1.00 55.31 H new ATOM 0 HE2 TYR A 81 6.614 8.979 -0.688 1.00 33.04 H new ATOM 0 HH TYR A 81 8.463 7.910 -0.210 1.00 15.44 H new ATOM 1332 N PHE A 82 3.311 6.599 -4.217 1.00 23.01 N ATOM 1333 CA PHE A 82 2.706 5.952 -3.041 1.00 2.31 C ATOM 1334 C PHE A 82 3.705 4.942 -2.456 1.00 65.21 C ATOM 1335 O PHE A 82 4.420 4.251 -3.207 1.00 62.24 O ATOM 1336 CB PHE A 82 1.351 5.267 -3.409 1.00 54.13 C ATOM 1337 CG PHE A 82 1.444 4.128 -4.441 1.00 15.11 C ATOM 1338 CD1 PHE A 82 1.567 4.401 -5.809 1.00 22.31 C ATOM 1339 CD2 PHE A 82 1.402 2.787 -4.042 1.00 20.05 C ATOM 1340 CE1 PHE A 82 1.648 3.374 -6.735 1.00 72.52 C ATOM 1341 CE2 PHE A 82 1.482 1.764 -4.969 1.00 22.11 C ATOM 1342 CZ PHE A 82 1.601 2.057 -6.315 1.00 44.02 C ATOM 0 H PHE A 82 3.724 5.940 -4.876 1.00 23.01 H new ATOM 0 HA PHE A 82 2.483 6.708 -2.288 1.00 2.31 H new ATOM 0 HB2 PHE A 82 0.904 4.872 -2.497 1.00 54.13 H new ATOM 0 HB3 PHE A 82 0.672 6.028 -3.793 1.00 54.13 H new ATOM 0 HD1 PHE A 82 1.599 5.426 -6.147 1.00 22.31 H new ATOM 0 HD2 PHE A 82 1.306 2.547 -2.993 1.00 20.05 H new ATOM 0 HE1 PHE A 82 1.748 3.602 -7.786 1.00 72.52 H new ATOM 0 HE2 PHE A 82 1.452 0.735 -4.641 1.00 22.11 H new ATOM 0 HZ PHE A 82 1.657 1.257 -7.039 1.00 44.02 H new ATOM 1352 N GLU A 83 3.786 4.882 -1.120 1.00 64.31 N ATOM 1353 CA GLU A 83 4.651 3.915 -0.425 1.00 13.52 C ATOM 1354 C GLU A 83 3.900 3.247 0.733 1.00 44.31 C ATOM 1355 O GLU A 83 2.947 3.806 1.278 1.00 4.11 O ATOM 1356 CB GLU A 83 5.978 4.593 0.028 1.00 44.13 C ATOM 1357 CG GLU A 83 5.912 5.596 1.205 1.00 44.02 C ATOM 1358 CD GLU A 83 6.084 4.943 2.591 1.00 23.43 C ATOM 1359 OE1 GLU A 83 7.222 4.540 2.920 1.00 15.52 O ATOM 1360 OE2 GLU A 83 5.096 4.834 3.350 1.00 14.13 O ATOM 0 H GLU A 83 3.261 5.494 -0.495 1.00 64.31 H new ATOM 0 HA GLU A 83 4.924 3.120 -1.119 1.00 13.52 H new ATOM 0 HB2 GLU A 83 6.681 3.805 0.299 1.00 44.13 H new ATOM 0 HB3 GLU A 83 6.399 5.114 -0.832 1.00 44.13 H new ATOM 0 HG2 GLU A 83 6.687 6.351 1.071 1.00 44.02 H new ATOM 0 HG3 GLU A 83 4.954 6.115 1.175 1.00 44.02 H new ATOM 1367 N ILE A 84 4.322 2.024 1.077 1.00 21.54 N ATOM 1368 CA ILE A 84 3.663 1.198 2.101 1.00 43.24 C ATOM 1369 C ILE A 84 4.703 0.728 3.140 1.00 75.31 C ATOM 1370 O ILE A 84 5.721 0.132 2.780 1.00 23.11 O ATOM 1371 CB ILE A 84 2.940 -0.067 1.474 1.00 73.30 C ATOM 1372 CG1 ILE A 84 1.896 0.321 0.353 1.00 24.33 C ATOM 1373 CG2 ILE A 84 2.268 -0.915 2.582 1.00 60.01 C ATOM 1374 CD1 ILE A 84 2.474 0.567 -1.035 1.00 2.35 C ATOM 0 H ILE A 84 5.134 1.576 0.652 1.00 21.54 H new ATOM 0 HA ILE A 84 2.902 1.816 2.578 1.00 43.24 H new ATOM 0 HB ILE A 84 3.711 -0.665 0.989 1.00 73.30 H new ATOM 0 HG12 ILE A 84 1.155 -0.475 0.282 1.00 24.33 H new ATOM 0 HG13 ILE A 84 1.368 1.220 0.671 1.00 24.33 H new ATOM 0 HG21 ILE A 84 1.777 -1.778 2.132 1.00 60.01 H new ATOM 0 HG22 ILE A 84 3.025 -1.255 3.289 1.00 60.01 H new ATOM 0 HG23 ILE A 84 1.528 -0.309 3.106 1.00 60.01 H new ATOM 0 HD11 ILE A 84 1.670 0.826 -1.724 1.00 2.35 H new ATOM 0 HD12 ILE A 84 3.191 1.387 -0.990 1.00 2.35 H new ATOM 0 HD13 ILE A 84 2.975 -0.335 -1.385 1.00 2.35 H new ATOM 1386 N LYS A 85 4.452 1.033 4.416 1.00 24.33 N ATOM 1387 CA LYS A 85 5.213 0.490 5.555 1.00 63.12 C ATOM 1388 C LYS A 85 4.332 -0.482 6.356 1.00 35.34 C ATOM 1389 O LYS A 85 3.105 -0.390 6.332 1.00 24.24 O ATOM 1390 CB LYS A 85 5.679 1.618 6.516 1.00 33.42 C ATOM 1391 CG LYS A 85 6.444 2.773 5.851 1.00 62.51 C ATOM 1392 CD LYS A 85 7.066 3.741 6.890 1.00 60.50 C ATOM 1393 CE LYS A 85 7.555 5.046 6.255 1.00 54.01 C ATOM 1394 NZ LYS A 85 6.419 5.833 5.717 1.00 53.31 N ATOM 0 H LYS A 85 3.707 1.671 4.695 1.00 24.33 H new ATOM 0 HA LYS A 85 6.086 -0.021 5.149 1.00 63.12 H new ATOM 0 HB2 LYS A 85 4.804 2.027 7.021 1.00 33.42 H new ATOM 0 HB3 LYS A 85 6.314 1.178 7.285 1.00 33.42 H new ATOM 0 HG2 LYS A 85 7.233 2.367 5.218 1.00 62.51 H new ATOM 0 HG3 LYS A 85 5.767 3.327 5.201 1.00 62.51 H new ATOM 0 HD2 LYS A 85 6.327 3.969 7.658 1.00 60.50 H new ATOM 0 HD3 LYS A 85 7.901 3.247 7.388 1.00 60.50 H new ATOM 0 HE2 LYS A 85 8.092 5.637 6.997 1.00 54.01 H new ATOM 0 HE3 LYS A 85 8.260 4.823 5.454 1.00 54.01 H new ATOM 0 HZ1 LYS A 85 6.763 6.756 5.384 1.00 53.31 H new ATOM 0 HZ2 LYS A 85 5.985 5.319 4.924 1.00 53.31 H new ATOM 0 HZ3 LYS A 85 5.711 5.977 6.465 1.00 53.31 H new ATOM 1408 N MET A 86 4.979 -1.411 7.055 1.00 34.34 N ATOM 1409 CA MET A 86 4.358 -2.224 8.115 1.00 15.44 C ATOM 1410 C MET A 86 5.419 -2.527 9.183 1.00 53.03 C ATOM 1411 O MET A 86 6.595 -2.727 8.864 1.00 31.34 O ATOM 1412 CB MET A 86 3.725 -3.534 7.552 1.00 4.23 C ATOM 1413 CG MET A 86 4.514 -4.188 6.413 1.00 42.33 C ATOM 1414 SD MET A 86 3.962 -5.855 6.033 1.00 2.55 S ATOM 1415 CE MET A 86 2.207 -5.637 5.764 1.00 62.51 C ATOM 0 H MET A 86 5.964 -1.629 6.904 1.00 34.34 H new ATOM 0 HA MET A 86 3.538 -1.661 8.562 1.00 15.44 H new ATOM 0 HB2 MET A 86 3.625 -4.252 8.366 1.00 4.23 H new ATOM 0 HB3 MET A 86 2.718 -3.312 7.198 1.00 4.23 H new ATOM 0 HG2 MET A 86 4.427 -3.571 5.519 1.00 42.33 H new ATOM 0 HG3 MET A 86 5.570 -4.214 6.680 1.00 42.33 H new ATOM 0 HE1 MET A 86 1.840 -6.422 5.103 1.00 62.51 H new ATOM 0 HE2 MET A 86 1.683 -5.692 6.718 1.00 62.51 H new ATOM 0 HE3 MET A 86 2.027 -4.664 5.307 1.00 62.51 H new ATOM 1425 N SER A 87 5.003 -2.534 10.450 1.00 53.01 N ATOM 1426 CA SER A 87 5.911 -2.785 11.589 1.00 12.23 C ATOM 1427 C SER A 87 5.288 -3.795 12.558 1.00 21.40 C ATOM 1428 O SER A 87 4.090 -3.718 12.869 1.00 72.53 O ATOM 1429 CB SER A 87 6.237 -1.462 12.319 1.00 41.31 C ATOM 1430 OG SER A 87 7.129 -1.661 13.406 1.00 22.22 O ATOM 0 H SER A 87 4.034 -2.368 10.723 1.00 53.01 H new ATOM 0 HA SER A 87 6.841 -3.206 11.206 1.00 12.23 H new ATOM 0 HB2 SER A 87 6.677 -0.757 11.613 1.00 41.31 H new ATOM 0 HB3 SER A 87 5.314 -1.013 12.685 1.00 41.31 H new ATOM 0 HG SER A 87 7.312 -0.802 13.841 1.00 22.22 H new ATOM 1436 N TYR A 88 6.119 -4.726 13.046 1.00 4.25 N ATOM 1437 CA TYR A 88 5.690 -5.787 13.964 1.00 63.32 C ATOM 1438 C TYR A 88 5.811 -5.293 15.421 1.00 60.24 C ATOM 1439 O TYR A 88 6.925 -5.101 15.927 1.00 34.43 O ATOM 1440 CB TYR A 88 6.540 -7.072 13.743 1.00 45.12 C ATOM 1441 CG TYR A 88 6.184 -8.226 14.703 1.00 41.44 C ATOM 1442 CD1 TYR A 88 4.956 -8.882 14.605 1.00 64.14 C ATOM 1443 CD2 TYR A 88 7.054 -8.639 15.720 1.00 15.52 C ATOM 1444 CE1 TYR A 88 4.610 -9.894 15.478 1.00 54.02 C ATOM 1445 CE2 TYR A 88 6.710 -9.657 16.593 1.00 71.13 C ATOM 1446 CZ TYR A 88 5.487 -10.279 16.469 1.00 14.41 C ATOM 1447 OH TYR A 88 5.134 -11.279 17.349 1.00 24.42 O ATOM 0 H TYR A 88 7.111 -4.763 12.813 1.00 4.25 H new ATOM 0 HA TYR A 88 4.648 -6.034 13.763 1.00 63.32 H new ATOM 0 HB2 TYR A 88 6.407 -7.412 12.716 1.00 45.12 H new ATOM 0 HB3 TYR A 88 7.595 -6.824 13.863 1.00 45.12 H new ATOM 0 HD1 TYR A 88 4.262 -8.592 13.830 1.00 64.14 H new ATOM 0 HD2 TYR A 88 8.013 -8.153 15.825 1.00 15.52 H new ATOM 0 HE1 TYR A 88 3.652 -10.384 15.384 1.00 54.02 H new ATOM 0 HE2 TYR A 88 7.398 -9.962 17.368 1.00 71.13 H new ATOM 0 HH TYR A 88 5.865 -11.429 17.984 1.00 24.42 H new ATOM 1457 N ASN A 89 4.663 -5.063 16.081 1.00 21.34 N ATOM 1458 CA ASN A 89 4.641 -4.718 17.509 1.00 54.41 C ATOM 1459 C ASN A 89 4.927 -5.984 18.342 1.00 23.42 C ATOM 1460 O ASN A 89 4.054 -6.828 18.507 1.00 32.54 O ATOM 1461 CB ASN A 89 3.282 -4.095 17.913 1.00 22.04 C ATOM 1462 CG ASN A 89 2.972 -2.795 17.169 1.00 32.41 C ATOM 1463 OD1 ASN A 89 3.418 -1.726 17.559 1.00 72.04 O ATOM 1464 ND2 ASN A 89 2.188 -2.871 16.112 1.00 24.14 N ATOM 0 H ASN A 89 3.741 -5.110 15.648 1.00 21.34 H new ATOM 0 HA ASN A 89 5.413 -3.973 17.704 1.00 54.41 H new ATOM 0 HB2 ASN A 89 2.487 -4.815 17.720 1.00 22.04 H new ATOM 0 HB3 ASN A 89 3.283 -3.901 18.986 1.00 22.04 H new ATOM 0 HD21 ASN A 89 1.940 -2.025 15.599 1.00 24.14 H new ATOM 0 HD22 ASN A 89 1.829 -3.776 15.807 1.00 24.14 H new ATOM 1471 N GLU A 90 6.165 -6.119 18.840 1.00 40.25 N ATOM 1472 CA GLU A 90 6.598 -7.294 19.640 1.00 42.34 C ATOM 1473 C GLU A 90 5.887 -7.348 21.022 1.00 24.22 C ATOM 1474 O GLU A 90 5.865 -8.393 21.679 1.00 32.44 O ATOM 1475 CB GLU A 90 8.139 -7.246 19.823 1.00 33.42 C ATOM 1476 CG GLU A 90 8.928 -7.120 18.502 1.00 72.32 C ATOM 1477 CD GLU A 90 10.429 -6.863 18.710 1.00 2.04 C ATOM 1478 OE1 GLU A 90 10.805 -5.710 19.014 1.00 13.51 O ATOM 1479 OE2 GLU A 90 11.238 -7.810 18.580 1.00 73.41 O ATOM 0 H GLU A 90 6.899 -5.424 18.705 1.00 40.25 H new ATOM 0 HA GLU A 90 6.317 -8.199 19.101 1.00 42.34 H new ATOM 0 HB2 GLU A 90 8.391 -6.403 20.466 1.00 33.42 H new ATOM 0 HB3 GLU A 90 8.461 -8.150 20.341 1.00 33.42 H new ATOM 0 HG2 GLU A 90 8.800 -8.034 17.922 1.00 72.32 H new ATOM 0 HG3 GLU A 90 8.506 -6.307 17.911 1.00 72.32 H new ATOM 1486 N LEU A 91 5.289 -6.211 21.429 1.00 11.24 N ATOM 1487 CA LEU A 91 4.615 -6.047 22.734 1.00 23.31 C ATOM 1488 C LEU A 91 3.188 -6.654 22.741 1.00 44.54 C ATOM 1489 O LEU A 91 2.628 -6.909 23.815 1.00 3.34 O ATOM 1490 CB LEU A 91 4.557 -4.537 23.095 1.00 72.44 C ATOM 1491 CG LEU A 91 5.927 -3.780 23.104 1.00 15.54 C ATOM 1492 CD1 LEU A 91 5.736 -2.284 23.441 1.00 61.11 C ATOM 1493 CD2 LEU A 91 6.935 -4.451 24.068 1.00 14.04 C ATOM 0 H LEU A 91 5.260 -5.369 20.854 1.00 11.24 H new ATOM 0 HA LEU A 91 5.195 -6.590 23.481 1.00 23.31 H new ATOM 0 HB2 LEU A 91 3.894 -4.040 22.387 1.00 72.44 H new ATOM 0 HB3 LEU A 91 4.103 -4.437 24.081 1.00 72.44 H new ATOM 0 HG LEU A 91 6.345 -3.841 22.099 1.00 15.54 H new ATOM 0 HD11 LEU A 91 6.705 -1.784 23.440 1.00 61.11 H new ATOM 0 HD12 LEU A 91 5.089 -1.823 22.695 1.00 61.11 H new ATOM 0 HD13 LEU A 91 5.280 -2.188 24.426 1.00 61.11 H new ATOM 0 HD21 LEU A 91 7.876 -3.901 24.051 1.00 14.04 H new ATOM 0 HD22 LEU A 91 6.530 -4.445 25.080 1.00 14.04 H new ATOM 0 HD23 LEU A 91 7.110 -5.480 23.753 1.00 14.04 H new ATOM 1505 N THR A 92 2.601 -6.877 21.544 1.00 5.53 N ATOM 1506 CA THR A 92 1.232 -7.455 21.414 1.00 35.02 C ATOM 1507 C THR A 92 1.146 -8.538 20.300 1.00 54.23 C ATOM 1508 O THR A 92 0.493 -9.577 20.478 1.00 25.42 O ATOM 1509 CB THR A 92 0.146 -6.339 21.185 1.00 23.21 C ATOM 1510 OG1 THR A 92 -1.165 -6.933 21.122 1.00 64.43 O ATOM 1511 CG2 THR A 92 0.403 -5.493 19.914 1.00 45.35 C ATOM 0 H THR A 92 3.048 -6.668 20.651 1.00 5.53 H new ATOM 0 HA THR A 92 1.020 -7.946 22.364 1.00 35.02 H new ATOM 0 HB THR A 92 0.210 -5.660 22.035 1.00 23.21 H new ATOM 0 HG1 THR A 92 -1.432 -7.038 20.185 1.00 64.43 H new ATOM 0 HG21 THR A 92 -0.380 -4.742 19.813 1.00 45.35 H new ATOM 0 HG22 THR A 92 1.371 -4.999 19.995 1.00 45.35 H new ATOM 0 HG23 THR A 92 0.399 -6.142 19.038 1.00 45.35 H new ATOM 1519 N GLY A 93 1.798 -8.282 19.156 1.00 12.10 N ATOM 1520 CA GLY A 93 1.848 -9.227 18.021 1.00 64.32 C ATOM 1521 C GLY A 93 1.236 -8.657 16.737 1.00 5.11 C ATOM 1522 O GLY A 93 1.582 -9.080 15.633 1.00 12.41 O ATOM 0 H GLY A 93 2.307 -7.414 18.988 1.00 12.10 H new ATOM 0 HA2 GLY A 93 2.885 -9.503 17.831 1.00 64.32 H new ATOM 0 HA3 GLY A 93 1.320 -10.141 18.293 1.00 64.32 H new ATOM 1526 N ASP A 94 0.301 -7.710 16.892 1.00 54.33 N ATOM 1527 CA ASP A 94 -0.404 -7.065 15.760 1.00 24.51 C ATOM 1528 C ASP A 94 0.535 -6.145 14.928 1.00 35.20 C ATOM 1529 O ASP A 94 1.581 -5.691 15.416 1.00 64.15 O ATOM 1530 CB ASP A 94 -1.614 -6.263 16.299 1.00 63.20 C ATOM 1531 CG ASP A 94 -2.568 -7.135 17.140 1.00 32.10 C ATOM 1532 OD1 ASP A 94 -2.285 -7.347 18.342 1.00 41.32 O ATOM 1533 OD2 ASP A 94 -3.585 -7.628 16.608 1.00 41.23 O ATOM 0 H ASP A 94 0.007 -7.364 17.805 1.00 54.33 H new ATOM 0 HA ASP A 94 -0.751 -7.850 15.088 1.00 24.51 H new ATOM 0 HB2 ASP A 94 -1.255 -5.432 16.906 1.00 63.20 H new ATOM 0 HB3 ASP A 94 -2.163 -5.832 15.462 1.00 63.20 H new ATOM 1538 N TYR A 95 0.148 -5.892 13.663 1.00 63.14 N ATOM 1539 CA TYR A 95 0.894 -5.012 12.730 1.00 4.21 C ATOM 1540 C TYR A 95 0.260 -3.603 12.631 1.00 25.43 C ATOM 1541 O TYR A 95 -0.951 -3.461 12.431 1.00 23.00 O ATOM 1542 CB TYR A 95 0.966 -5.662 11.308 1.00 33.31 C ATOM 1543 CG TYR A 95 2.179 -6.582 11.095 1.00 60.13 C ATOM 1544 CD1 TYR A 95 2.198 -7.901 11.563 1.00 3.42 C ATOM 1545 CD2 TYR A 95 3.312 -6.117 10.422 1.00 41.01 C ATOM 1546 CE1 TYR A 95 3.308 -8.709 11.373 1.00 33.13 C ATOM 1547 CE2 TYR A 95 4.414 -6.919 10.229 1.00 2.23 C ATOM 1548 CZ TYR A 95 4.412 -8.214 10.702 1.00 51.40 C ATOM 1549 OH TYR A 95 5.521 -9.017 10.510 1.00 24.32 O ATOM 0 H TYR A 95 -0.696 -6.293 13.253 1.00 63.14 H new ATOM 0 HA TYR A 95 1.902 -4.898 13.130 1.00 4.21 H new ATOM 0 HB2 TYR A 95 0.055 -6.235 11.137 1.00 33.31 H new ATOM 0 HB3 TYR A 95 0.989 -4.870 10.560 1.00 33.31 H new ATOM 0 HD1 TYR A 95 1.335 -8.295 12.080 1.00 3.42 H new ATOM 0 HD2 TYR A 95 3.323 -5.105 10.045 1.00 41.01 H new ATOM 0 HE1 TYR A 95 3.311 -9.722 11.748 1.00 33.13 H new ATOM 0 HE2 TYR A 95 5.278 -6.535 9.708 1.00 2.23 H new ATOM 0 HH TYR A 95 5.240 -9.954 10.449 1.00 24.32 H new ATOM 1559 N VAL A 96 1.109 -2.563 12.763 1.00 5.50 N ATOM 1560 CA VAL A 96 0.752 -1.178 12.382 1.00 60.44 C ATOM 1561 C VAL A 96 1.126 -0.957 10.890 1.00 51.34 C ATOM 1562 O VAL A 96 2.298 -1.042 10.505 1.00 71.13 O ATOM 1563 CB VAL A 96 1.420 -0.093 13.328 1.00 0.40 C ATOM 1564 CG1 VAL A 96 2.932 -0.344 13.535 1.00 55.33 C ATOM 1565 CG2 VAL A 96 1.158 1.354 12.811 1.00 42.44 C ATOM 0 H VAL A 96 2.055 -2.657 13.134 1.00 5.50 H new ATOM 0 HA VAL A 96 -0.323 -1.047 12.509 1.00 60.44 H new ATOM 0 HB VAL A 96 0.943 -0.194 14.303 1.00 0.40 H new ATOM 0 HG11 VAL A 96 3.342 0.425 14.189 1.00 55.33 H new ATOM 0 HG12 VAL A 96 3.079 -1.324 13.990 1.00 55.33 H new ATOM 0 HG13 VAL A 96 3.442 -0.311 12.572 1.00 55.33 H new ATOM 0 HG21 VAL A 96 1.630 2.071 13.483 1.00 42.44 H new ATOM 0 HG22 VAL A 96 1.576 1.464 11.811 1.00 42.44 H new ATOM 0 HG23 VAL A 96 0.084 1.540 12.778 1.00 42.44 H new ATOM 1575 N LEU A 97 0.102 -0.719 10.060 1.00 61.11 N ATOM 1576 CA LEU A 97 0.241 -0.590 8.596 1.00 41.42 C ATOM 1577 C LEU A 97 0.101 0.889 8.184 1.00 1.10 C ATOM 1578 O LEU A 97 -0.918 1.499 8.466 1.00 62.35 O ATOM 1579 CB LEU A 97 -0.855 -1.446 7.914 1.00 35.54 C ATOM 1580 CG LEU A 97 -0.760 -1.562 6.369 1.00 73.44 C ATOM 1581 CD1 LEU A 97 0.512 -2.321 5.937 1.00 24.53 C ATOM 1582 CD2 LEU A 97 -2.036 -2.191 5.770 1.00 52.53 C ATOM 0 H LEU A 97 -0.858 -0.609 10.386 1.00 61.11 H new ATOM 0 HA LEU A 97 1.224 -0.942 8.283 1.00 41.42 H new ATOM 0 HB2 LEU A 97 -0.821 -2.450 8.337 1.00 35.54 H new ATOM 0 HB3 LEU A 97 -1.828 -1.026 8.168 1.00 35.54 H new ATOM 0 HG LEU A 97 -0.682 -0.551 5.968 1.00 73.44 H new ATOM 0 HD11 LEU A 97 0.546 -2.384 4.849 1.00 24.53 H new ATOM 0 HD12 LEU A 97 1.393 -1.790 6.298 1.00 24.53 H new ATOM 0 HD13 LEU A 97 0.497 -3.326 6.358 1.00 24.53 H new ATOM 0 HD21 LEU A 97 -1.935 -2.257 4.687 1.00 52.53 H new ATOM 0 HD22 LEU A 97 -2.178 -3.190 6.183 1.00 52.53 H new ATOM 0 HD23 LEU A 97 -2.898 -1.571 6.017 1.00 52.53 H new ATOM 1594 N GLU A 98 1.107 1.447 7.490 1.00 62.24 N ATOM 1595 CA GLU A 98 1.172 2.902 7.212 1.00 71.23 C ATOM 1596 C GLU A 98 1.391 3.190 5.698 1.00 61.35 C ATOM 1597 O GLU A 98 2.493 3.028 5.184 1.00 51.13 O ATOM 1598 CB GLU A 98 2.332 3.522 8.052 1.00 35.40 C ATOM 1599 CG GLU A 98 2.238 5.046 8.195 1.00 72.03 C ATOM 1600 CD GLU A 98 3.503 5.717 8.767 1.00 52.10 C ATOM 1601 OE1 GLU A 98 4.473 5.925 8.005 1.00 23.14 O ATOM 1602 OE2 GLU A 98 3.512 6.075 9.963 1.00 60.43 O ATOM 0 H GLU A 98 1.890 0.916 7.108 1.00 62.24 H new ATOM 0 HA GLU A 98 0.220 3.354 7.492 1.00 71.23 H new ATOM 0 HB2 GLU A 98 2.332 3.071 9.044 1.00 35.40 H new ATOM 0 HB3 GLU A 98 3.284 3.267 7.586 1.00 35.40 H new ATOM 0 HG2 GLU A 98 2.025 5.477 7.217 1.00 72.03 H new ATOM 0 HG3 GLU A 98 1.393 5.286 8.840 1.00 72.03 H new ATOM 1609 N ILE A 99 0.333 3.639 4.996 1.00 73.41 N ATOM 1610 CA ILE A 99 0.390 3.966 3.543 1.00 60.32 C ATOM 1611 C ILE A 99 0.479 5.503 3.340 1.00 74.24 C ATOM 1612 O ILE A 99 -0.387 6.237 3.801 1.00 73.30 O ATOM 1613 CB ILE A 99 -0.868 3.366 2.764 1.00 32.03 C ATOM 1614 CG1 ILE A 99 -0.776 1.804 2.603 1.00 41.21 C ATOM 1615 CG2 ILE A 99 -1.070 4.018 1.366 1.00 3.24 C ATOM 1616 CD1 ILE A 99 -0.916 0.998 3.869 1.00 44.10 C ATOM 0 H ILE A 99 -0.587 3.788 5.411 1.00 73.41 H new ATOM 0 HA ILE A 99 1.287 3.506 3.128 1.00 60.32 H new ATOM 0 HB ILE A 99 -1.733 3.605 3.383 1.00 32.03 H new ATOM 0 HG12 ILE A 99 -1.550 1.485 1.906 1.00 41.21 H new ATOM 0 HG13 ILE A 99 0.184 1.562 2.146 1.00 41.21 H new ATOM 0 HG21 ILE A 99 -1.938 3.574 0.879 1.00 3.24 H new ATOM 0 HG22 ILE A 99 -1.229 5.090 1.484 1.00 3.24 H new ATOM 0 HG23 ILE A 99 -0.184 3.848 0.754 1.00 3.24 H new ATOM 0 HD11 ILE A 99 -0.836 -0.064 3.635 1.00 44.10 H new ATOM 0 HD12 ILE A 99 -0.126 1.276 4.567 1.00 44.10 H new ATOM 0 HD13 ILE A 99 -1.887 1.198 4.322 1.00 44.10 H new ATOM 1628 N THR A 100 1.524 5.983 2.643 1.00 61.52 N ATOM 1629 CA THR A 100 1.698 7.425 2.342 1.00 33.24 C ATOM 1630 C THR A 100 1.033 7.785 0.989 1.00 22.33 C ATOM 1631 O THR A 100 1.461 7.313 -0.072 1.00 14.35 O ATOM 1632 CB THR A 100 3.212 7.818 2.308 1.00 63.11 C ATOM 1633 OG1 THR A 100 3.816 7.520 3.578 1.00 31.13 O ATOM 1634 CG2 THR A 100 3.441 9.304 1.978 1.00 75.20 C ATOM 0 H THR A 100 2.269 5.392 2.273 1.00 61.52 H new ATOM 0 HA THR A 100 1.212 7.988 3.139 1.00 33.24 H new ATOM 0 HB THR A 100 3.672 7.233 1.511 1.00 63.11 H new ATOM 0 HG1 THR A 100 4.232 6.633 3.542 1.00 31.13 H new ATOM 0 HG21 THR A 100 4.511 9.514 1.969 1.00 75.20 H new ATOM 0 HG22 THR A 100 3.019 9.528 0.998 1.00 75.20 H new ATOM 0 HG23 THR A 100 2.956 9.923 2.732 1.00 75.20 H new ATOM 1642 N ASP A 101 -0.024 8.611 1.057 1.00 15.41 N ATOM 1643 CA ASP A 101 -0.809 9.079 -0.104 1.00 30.03 C ATOM 1644 C ASP A 101 -0.809 10.634 -0.154 1.00 45.12 C ATOM 1645 O ASP A 101 -0.589 11.296 0.866 1.00 5.42 O ATOM 1646 CB ASP A 101 -2.251 8.511 0.036 1.00 23.21 C ATOM 1647 CG ASP A 101 -3.227 8.982 -1.054 1.00 11.44 C ATOM 1648 OD1 ASP A 101 -3.172 8.457 -2.189 1.00 51.41 O ATOM 1649 OD2 ASP A 101 -4.045 9.887 -0.785 1.00 31.22 O ATOM 0 H ASP A 101 -0.367 8.983 1.942 1.00 15.41 H new ATOM 0 HA ASP A 101 -0.371 8.727 -1.038 1.00 30.03 H new ATOM 0 HB2 ASP A 101 -2.203 7.422 0.018 1.00 23.21 H new ATOM 0 HB3 ASP A 101 -2.648 8.796 1.010 1.00 23.21 H new ATOM 1654 N PHE A 102 -1.029 11.208 -1.355 1.00 60.53 N ATOM 1655 CA PHE A 102 -1.169 12.675 -1.546 1.00 14.34 C ATOM 1656 C PHE A 102 -2.603 13.019 -2.010 1.00 60.24 C ATOM 1657 O PHE A 102 -3.030 12.572 -3.081 1.00 43.34 O ATOM 1658 CB PHE A 102 -0.151 13.196 -2.602 1.00 43.03 C ATOM 1659 CG PHE A 102 1.315 12.962 -2.239 1.00 15.50 C ATOM 1660 CD1 PHE A 102 1.953 13.767 -1.291 1.00 1.12 C ATOM 1661 CD2 PHE A 102 2.055 11.936 -2.834 1.00 55.32 C ATOM 1662 CE1 PHE A 102 3.276 13.549 -0.950 1.00 64.11 C ATOM 1663 CE2 PHE A 102 3.378 11.727 -2.491 1.00 14.13 C ATOM 1664 CZ PHE A 102 3.988 12.530 -1.549 1.00 24.44 C ATOM 0 H PHE A 102 -1.115 10.674 -2.220 1.00 60.53 H new ATOM 0 HA PHE A 102 -0.967 13.159 -0.590 1.00 14.34 H new ATOM 0 HB2 PHE A 102 -0.357 12.712 -3.557 1.00 43.03 H new ATOM 0 HB3 PHE A 102 -0.310 14.265 -2.745 1.00 43.03 H new ATOM 0 HD1 PHE A 102 1.406 14.570 -0.819 1.00 1.12 H new ATOM 0 HD2 PHE A 102 1.588 11.299 -3.570 1.00 55.32 H new ATOM 0 HE1 PHE A 102 3.753 14.178 -0.213 1.00 64.11 H new ATOM 0 HE2 PHE A 102 3.936 10.932 -2.962 1.00 14.13 H new ATOM 0 HZ PHE A 102 5.021 12.361 -1.281 1.00 24.44 H new ATOM 1674 N SER A 103 -3.326 13.846 -1.231 1.00 70.11 N ATOM 1675 CA SER A 103 -4.697 14.302 -1.588 1.00 72.04 C ATOM 1676 C SER A 103 -4.940 15.774 -1.199 1.00 24.34 C ATOM 1677 O SER A 103 -4.510 16.232 -0.137 1.00 63.42 O ATOM 1678 CB SER A 103 -5.776 13.401 -0.926 1.00 15.23 C ATOM 1679 OG SER A 103 -5.840 12.130 -1.547 1.00 74.45 O ATOM 0 H SER A 103 -2.987 14.218 -0.344 1.00 70.11 H new ATOM 0 HA SER A 103 -4.779 14.221 -2.672 1.00 72.04 H new ATOM 0 HB2 SER A 103 -5.550 13.279 0.133 1.00 15.23 H new ATOM 0 HB3 SER A 103 -6.749 13.889 -0.991 1.00 15.23 H new ATOM 0 HG SER A 103 -5.165 11.539 -1.152 1.00 74.45 H new ATOM 1685 N GLU A 104 -5.628 16.493 -2.100 1.00 72.12 N ATOM 1686 CA GLU A 104 -6.189 17.844 -1.861 1.00 50.12 C ATOM 1687 C GLU A 104 -7.260 17.830 -0.738 1.00 40.21 C ATOM 1688 O GLU A 104 -7.784 16.772 -0.399 1.00 5.35 O ATOM 1689 CB GLU A 104 -6.820 18.349 -3.193 1.00 42.02 C ATOM 1690 CG GLU A 104 -5.818 18.941 -4.209 1.00 55.54 C ATOM 1691 CD GLU A 104 -5.514 20.427 -3.951 1.00 71.10 C ATOM 1692 OE1 GLU A 104 -4.719 20.741 -3.046 1.00 10.34 O ATOM 1693 OE2 GLU A 104 -6.104 21.295 -4.635 1.00 14.42 O ATOM 0 H GLU A 104 -5.818 16.147 -3.041 1.00 72.12 H new ATOM 0 HA GLU A 104 -5.390 18.509 -1.535 1.00 50.12 H new ATOM 0 HB2 GLU A 104 -7.346 17.519 -3.666 1.00 42.02 H new ATOM 0 HB3 GLU A 104 -7.567 19.107 -2.959 1.00 42.02 H new ATOM 0 HG2 GLU A 104 -4.889 18.373 -4.169 1.00 55.54 H new ATOM 0 HG3 GLU A 104 -6.219 18.826 -5.216 1.00 55.54 H new ATOM 1700 N ALA A 105 -7.567 19.014 -0.173 1.00 22.53 N ATOM 1701 CA ALA A 105 -8.610 19.180 0.881 1.00 41.42 C ATOM 1702 C ALA A 105 -9.970 18.513 0.529 1.00 43.44 C ATOM 1703 O ALA A 105 -10.571 17.831 1.369 1.00 54.21 O ATOM 1704 CB ALA A 105 -8.820 20.668 1.192 1.00 63.02 C ATOM 0 H ALA A 105 -7.105 19.887 -0.428 1.00 22.53 H new ATOM 0 HA ALA A 105 -8.233 18.661 1.762 1.00 41.42 H new ATOM 0 HB1 ALA A 105 -9.584 20.774 1.963 1.00 63.02 H new ATOM 0 HB2 ALA A 105 -7.885 21.101 1.546 1.00 63.02 H new ATOM 0 HB3 ALA A 105 -9.141 21.187 0.289 1.00 63.02 H new ATOM 1710 N ASP A 106 -10.430 18.706 -0.723 1.00 61.42 N ATOM 1711 CA ASP A 106 -11.697 18.111 -1.216 1.00 20.12 C ATOM 1712 C ASP A 106 -11.607 16.567 -1.344 1.00 33.33 C ATOM 1713 O ASP A 106 -12.601 15.861 -1.147 1.00 64.41 O ATOM 1714 CB ASP A 106 -12.091 18.743 -2.570 1.00 55.31 C ATOM 1715 CG ASP A 106 -12.344 20.255 -2.457 1.00 13.00 C ATOM 1716 OD1 ASP A 106 -13.382 20.649 -1.892 1.00 4.10 O ATOM 1717 OD2 ASP A 106 -11.490 21.057 -2.896 1.00 55.20 O ATOM 0 H ASP A 106 -9.943 19.272 -1.418 1.00 61.42 H new ATOM 0 HA ASP A 106 -12.470 18.329 -0.479 1.00 20.12 H new ATOM 0 HB2 ASP A 106 -11.299 18.563 -3.297 1.00 55.31 H new ATOM 0 HB3 ASP A 106 -12.988 18.254 -2.949 1.00 55.31 H new ATOM 1722 N GLU A 107 -10.401 16.057 -1.641 1.00 3.23 N ATOM 1723 CA GLU A 107 -10.148 14.602 -1.817 1.00 1.41 C ATOM 1724 C GLU A 107 -9.863 13.925 -0.459 1.00 43.41 C ATOM 1725 O GLU A 107 -10.076 12.728 -0.298 1.00 65.22 O ATOM 1726 CB GLU A 107 -8.944 14.386 -2.769 1.00 12.20 C ATOM 1727 CG GLU A 107 -9.082 15.067 -4.138 1.00 74.23 C ATOM 1728 CD GLU A 107 -7.851 14.857 -5.033 1.00 21.44 C ATOM 1729 OE1 GLU A 107 -6.778 15.390 -4.705 1.00 4.02 O ATOM 1730 OE2 GLU A 107 -7.948 14.166 -6.066 1.00 44.22 O ATOM 0 H GLU A 107 -9.569 16.634 -1.768 1.00 3.23 H new ATOM 0 HA GLU A 107 -11.041 14.150 -2.250 1.00 1.41 H new ATOM 0 HB2 GLU A 107 -8.042 14.757 -2.283 1.00 12.20 H new ATOM 0 HB3 GLU A 107 -8.806 13.316 -2.922 1.00 12.20 H new ATOM 0 HG2 GLU A 107 -9.965 14.678 -4.645 1.00 74.23 H new ATOM 0 HG3 GLU A 107 -9.242 16.135 -3.993 1.00 74.23 H new ATOM 1737 N ALA A 108 -9.390 14.725 0.517 1.00 72.32 N ATOM 1738 CA ALA A 108 -9.053 14.249 1.876 1.00 20.10 C ATOM 1739 C ALA A 108 -10.320 13.821 2.641 1.00 31.24 C ATOM 1740 O ALA A 108 -10.252 12.995 3.539 1.00 5.22 O ATOM 1741 CB ALA A 108 -8.289 15.335 2.648 1.00 52.44 C ATOM 0 H ALA A 108 -9.230 15.724 0.386 1.00 72.32 H new ATOM 0 HA ALA A 108 -8.409 13.374 1.783 1.00 20.10 H new ATOM 0 HB1 ALA A 108 -8.048 14.970 3.646 1.00 52.44 H new ATOM 0 HB2 ALA A 108 -7.368 15.578 2.118 1.00 52.44 H new ATOM 0 HB3 ALA A 108 -8.908 16.228 2.728 1.00 52.44 H new ATOM 1747 N ASP A 109 -11.469 14.416 2.271 1.00 32.34 N ATOM 1748 CA ASP A 109 -12.798 14.004 2.769 1.00 34.04 C ATOM 1749 C ASP A 109 -13.105 12.529 2.380 1.00 52.15 C ATOM 1750 O ASP A 109 -13.562 11.742 3.217 1.00 22.44 O ATOM 1751 CB ASP A 109 -13.871 14.971 2.209 1.00 60.54 C ATOM 1752 CG ASP A 109 -15.298 14.610 2.653 1.00 60.33 C ATOM 1753 OD1 ASP A 109 -15.607 14.750 3.854 1.00 2.15 O ATOM 1754 OD2 ASP A 109 -16.111 14.182 1.807 1.00 13.20 O ATOM 0 H ASP A 109 -11.504 15.198 1.617 1.00 32.34 H new ATOM 0 HA ASP A 109 -12.809 14.056 3.858 1.00 34.04 H new ATOM 0 HB2 ASP A 109 -13.642 15.986 2.533 1.00 60.54 H new ATOM 0 HB3 ASP A 109 -13.823 14.966 1.120 1.00 60.54 H new ATOM 1759 N ASP A 110 -12.833 12.178 1.103 1.00 41.44 N ATOM 1760 CA ASP A 110 -12.936 10.784 0.604 1.00 62.42 C ATOM 1761 C ASP A 110 -11.979 9.847 1.377 1.00 0.02 C ATOM 1762 O ASP A 110 -12.389 8.800 1.859 1.00 1.42 O ATOM 1763 CB ASP A 110 -12.632 10.731 -0.919 1.00 41.13 C ATOM 1764 CG ASP A 110 -12.572 9.295 -1.486 1.00 12.14 C ATOM 1765 OD1 ASP A 110 -13.617 8.609 -1.486 1.00 2.23 O ATOM 1766 OD2 ASP A 110 -11.482 8.845 -1.929 1.00 52.00 O ATOM 0 H ASP A 110 -12.538 12.847 0.392 1.00 41.44 H new ATOM 0 HA ASP A 110 -13.956 10.439 0.770 1.00 62.42 H new ATOM 0 HB2 ASP A 110 -13.398 11.293 -1.454 1.00 41.13 H new ATOM 0 HB3 ASP A 110 -11.681 11.228 -1.109 1.00 41.13 H new ATOM 1771 N LEU A 111 -10.711 10.259 1.491 1.00 25.25 N ATOM 1772 CA LEU A 111 -9.651 9.479 2.179 1.00 5.03 C ATOM 1773 C LEU A 111 -9.937 9.265 3.685 1.00 12.01 C ATOM 1774 O LEU A 111 -9.539 8.250 4.251 1.00 73.40 O ATOM 1775 CB LEU A 111 -8.265 10.162 1.970 1.00 63.33 C ATOM 1776 CG LEU A 111 -7.474 9.747 0.682 1.00 73.42 C ATOM 1777 CD1 LEU A 111 -7.014 8.276 0.756 1.00 53.24 C ATOM 1778 CD2 LEU A 111 -8.295 10.009 -0.602 1.00 31.42 C ATOM 0 H LEU A 111 -10.380 11.145 1.110 1.00 25.25 H new ATOM 0 HA LEU A 111 -9.639 8.487 1.727 1.00 5.03 H new ATOM 0 HB2 LEU A 111 -8.415 11.241 1.946 1.00 63.33 H new ATOM 0 HB3 LEU A 111 -7.643 9.946 2.838 1.00 63.33 H new ATOM 0 HG LEU A 111 -6.584 10.374 0.634 1.00 73.42 H new ATOM 0 HD11 LEU A 111 -6.468 8.019 -0.152 1.00 53.24 H new ATOM 0 HD12 LEU A 111 -6.364 8.141 1.620 1.00 53.24 H new ATOM 0 HD13 LEU A 111 -7.884 7.627 0.852 1.00 53.24 H new ATOM 0 HD21 LEU A 111 -7.713 9.709 -1.473 1.00 31.42 H new ATOM 0 HD22 LEU A 111 -9.219 9.433 -0.567 1.00 31.42 H new ATOM 0 HD23 LEU A 111 -8.532 11.071 -0.672 1.00 31.42 H new ATOM 1790 N LYS A 112 -10.574 10.256 4.330 1.00 63.53 N ATOM 1791 CA LYS A 112 -11.041 10.150 5.737 1.00 2.42 C ATOM 1792 C LYS A 112 -12.307 9.276 5.884 1.00 14.01 C ATOM 1793 O LYS A 112 -12.519 8.662 6.937 1.00 75.20 O ATOM 1794 CB LYS A 112 -11.209 11.551 6.382 1.00 51.50 C ATOM 1795 CG LYS A 112 -9.858 12.276 6.607 1.00 63.43 C ATOM 1796 CD LYS A 112 -8.898 11.460 7.514 1.00 24.32 C ATOM 1797 CE LYS A 112 -7.459 11.990 7.504 1.00 21.01 C ATOM 1798 NZ LYS A 112 -7.368 13.394 7.977 1.00 73.15 N ATOM 0 H LYS A 112 -10.783 11.156 3.898 1.00 63.53 H new ATOM 0 HA LYS A 112 -10.260 9.630 6.292 1.00 2.42 H new ATOM 0 HB2 LYS A 112 -11.844 12.166 5.744 1.00 51.50 H new ATOM 0 HB3 LYS A 112 -11.723 11.447 7.337 1.00 51.50 H new ATOM 0 HG2 LYS A 112 -9.380 12.456 5.644 1.00 63.43 H new ATOM 0 HG3 LYS A 112 -10.042 13.251 7.059 1.00 63.43 H new ATOM 0 HD2 LYS A 112 -9.276 11.473 8.536 1.00 24.32 H new ATOM 0 HD3 LYS A 112 -8.897 10.420 7.188 1.00 24.32 H new ATOM 0 HE2 LYS A 112 -6.837 11.356 8.136 1.00 21.01 H new ATOM 0 HE3 LYS A 112 -7.058 11.924 6.493 1.00 21.01 H new ATOM 0 HZ1 LYS A 112 -6.376 13.705 7.951 1.00 73.15 H new ATOM 0 HZ2 LYS A 112 -7.939 14.006 7.360 1.00 73.15 H new ATOM 0 HZ3 LYS A 112 -7.725 13.456 8.952 1.00 73.15 H new ATOM 1812 N GLU A 113 -13.158 9.245 4.843 1.00 54.15 N ATOM 1813 CA GLU A 113 -14.253 8.248 4.748 1.00 42.55 C ATOM 1814 C GLU A 113 -13.673 6.825 4.594 1.00 30.31 C ATOM 1815 O GLU A 113 -14.195 5.889 5.174 1.00 32.05 O ATOM 1816 CB GLU A 113 -15.224 8.579 3.579 1.00 50.30 C ATOM 1817 CG GLU A 113 -16.187 9.749 3.863 1.00 61.54 C ATOM 1818 CD GLU A 113 -17.165 9.451 5.020 1.00 42.14 C ATOM 1819 OE1 GLU A 113 -18.147 8.708 4.799 1.00 22.32 O ATOM 1820 OE2 GLU A 113 -16.950 9.930 6.153 1.00 62.45 O ATOM 0 H GLU A 113 -13.114 9.893 4.057 1.00 54.15 H new ATOM 0 HA GLU A 113 -14.828 8.291 5.673 1.00 42.55 H new ATOM 0 HB2 GLU A 113 -14.637 8.815 2.691 1.00 50.30 H new ATOM 0 HB3 GLU A 113 -15.810 7.690 3.347 1.00 50.30 H new ATOM 0 HG2 GLU A 113 -15.608 10.640 4.103 1.00 61.54 H new ATOM 0 HG3 GLU A 113 -16.756 9.973 2.961 1.00 61.54 H new ATOM 1827 N LEU A 114 -12.576 6.696 3.823 1.00 73.42 N ATOM 1828 CA LEU A 114 -11.843 5.418 3.650 1.00 24.33 C ATOM 1829 C LEU A 114 -11.084 5.040 4.945 1.00 1.01 C ATOM 1830 O LEU A 114 -10.957 3.862 5.266 1.00 31.42 O ATOM 1831 CB LEU A 114 -10.849 5.525 2.462 1.00 55.43 C ATOM 1832 CG LEU A 114 -11.476 5.839 1.067 1.00 41.31 C ATOM 1833 CD1 LEU A 114 -10.390 6.056 -0.006 1.00 11.21 C ATOM 1834 CD2 LEU A 114 -12.480 4.743 0.647 1.00 22.53 C ATOM 0 H LEU A 114 -12.170 7.472 3.301 1.00 73.42 H new ATOM 0 HA LEU A 114 -12.570 4.634 3.435 1.00 24.33 H new ATOM 0 HB2 LEU A 114 -10.121 6.302 2.693 1.00 55.43 H new ATOM 0 HB3 LEU A 114 -10.301 4.586 2.388 1.00 55.43 H new ATOM 0 HG LEU A 114 -12.029 6.774 1.157 1.00 41.31 H new ATOM 0 HD11 LEU A 114 -10.863 6.272 -0.964 1.00 11.21 H new ATOM 0 HD12 LEU A 114 -9.756 6.894 0.283 1.00 11.21 H new ATOM 0 HD13 LEU A 114 -9.783 5.155 -0.096 1.00 11.21 H new ATOM 0 HD21 LEU A 114 -12.900 4.989 -0.328 1.00 22.53 H new ATOM 0 HD22 LEU A 114 -11.967 3.783 0.590 1.00 22.53 H new ATOM 0 HD23 LEU A 114 -13.282 4.683 1.383 1.00 22.53 H new ATOM 1846 N TRP A 115 -10.589 6.067 5.670 1.00 23.13 N ATOM 1847 CA TRP A 115 -9.931 5.908 6.992 1.00 62.51 C ATOM 1848 C TRP A 115 -10.901 5.243 7.988 1.00 60.55 C ATOM 1849 O TRP A 115 -10.639 4.143 8.453 1.00 10.22 O ATOM 1850 CB TRP A 115 -9.442 7.306 7.513 1.00 34.12 C ATOM 1851 CG TRP A 115 -8.976 7.376 8.965 1.00 31.33 C ATOM 1852 CD1 TRP A 115 -9.764 7.534 10.081 1.00 74.13 C ATOM 1853 CD2 TRP A 115 -7.625 7.334 9.452 1.00 23.34 C ATOM 1854 NE1 TRP A 115 -8.995 7.550 11.210 1.00 53.33 N ATOM 1855 CE2 TRP A 115 -7.680 7.441 10.855 1.00 61.12 C ATOM 1856 CE3 TRP A 115 -6.378 7.209 8.840 1.00 33.01 C ATOM 1857 CZ2 TRP A 115 -6.537 7.421 11.652 1.00 51.12 C ATOM 1858 CZ3 TRP A 115 -5.246 7.197 9.631 1.00 51.13 C ATOM 1859 CH2 TRP A 115 -5.330 7.302 11.023 1.00 24.02 C ATOM 0 H TRP A 115 -10.633 7.036 5.355 1.00 23.13 H new ATOM 0 HA TRP A 115 -9.060 5.260 6.891 1.00 62.51 H new ATOM 0 HB2 TRP A 115 -8.621 7.637 6.877 1.00 34.12 H new ATOM 0 HB3 TRP A 115 -10.255 8.020 7.383 1.00 34.12 H new ATOM 0 HD1 TRP A 115 -10.839 7.632 10.067 1.00 74.13 H new ATOM 0 HE1 TRP A 115 -9.346 7.630 12.164 1.00 53.33 H new ATOM 0 HE3 TRP A 115 -6.299 7.123 7.766 1.00 33.01 H new ATOM 0 HZ2 TRP A 115 -6.603 7.497 12.727 1.00 51.12 H new ATOM 0 HZ3 TRP A 115 -4.276 7.105 9.165 1.00 51.13 H new ATOM 0 HH2 TRP A 115 -4.424 7.289 11.611 1.00 24.02 H new ATOM 1870 N ASP A 116 -12.040 5.916 8.265 1.00 30.11 N ATOM 1871 CA ASP A 116 -13.042 5.451 9.253 1.00 23.15 C ATOM 1872 C ASP A 116 -13.679 4.112 8.799 1.00 64.30 C ATOM 1873 O ASP A 116 -13.861 3.198 9.613 1.00 23.12 O ATOM 1874 CB ASP A 116 -14.130 6.541 9.471 1.00 14.22 C ATOM 1875 CG ASP A 116 -14.944 6.358 10.777 1.00 11.12 C ATOM 1876 OD1 ASP A 116 -15.679 5.357 10.913 1.00 60.42 O ATOM 1877 OD2 ASP A 116 -14.849 7.215 11.680 1.00 52.33 O ATOM 0 H ASP A 116 -12.291 6.795 7.812 1.00 30.11 H new ATOM 0 HA ASP A 116 -12.538 5.276 10.204 1.00 23.15 H new ATOM 0 HB2 ASP A 116 -13.652 7.521 9.486 1.00 14.22 H new ATOM 0 HB3 ASP A 116 -14.815 6.533 8.623 1.00 14.22 H new ATOM 1882 N SER A 117 -13.983 4.008 7.483 1.00 43.30 N ATOM 1883 CA SER A 117 -14.551 2.778 6.881 1.00 50.40 C ATOM 1884 C SER A 117 -13.640 1.562 7.102 1.00 64.21 C ATOM 1885 O SER A 117 -14.129 0.492 7.386 1.00 33.52 O ATOM 1886 CB SER A 117 -14.802 2.928 5.365 1.00 5.42 C ATOM 1887 OG SER A 117 -15.331 1.735 4.795 1.00 1.13 O ATOM 0 H SER A 117 -13.843 4.766 6.815 1.00 43.30 H new ATOM 0 HA SER A 117 -15.504 2.620 7.387 1.00 50.40 H new ATOM 0 HB2 SER A 117 -15.494 3.752 5.191 1.00 5.42 H new ATOM 0 HB3 SER A 117 -13.868 3.186 4.866 1.00 5.42 H new ATOM 0 HG SER A 117 -15.478 1.868 3.835 1.00 1.13 H new ATOM 1893 N GLN A 118 -12.316 1.732 6.943 1.00 72.21 N ATOM 1894 CA GLN A 118 -11.353 0.626 7.134 1.00 42.32 C ATOM 1895 C GLN A 118 -11.043 0.354 8.627 1.00 12.23 C ATOM 1896 O GLN A 118 -11.239 -0.760 9.084 1.00 43.10 O ATOM 1897 CB GLN A 118 -10.056 0.886 6.323 1.00 71.51 C ATOM 1898 CG GLN A 118 -10.232 0.760 4.787 1.00 13.34 C ATOM 1899 CD GLN A 118 -10.692 -0.637 4.346 1.00 51.32 C ATOM 1900 OE1 GLN A 118 -9.885 -1.518 4.083 1.00 11.22 O ATOM 1901 NE2 GLN A 118 -11.997 -0.850 4.261 1.00 62.24 N ATOM 0 H GLN A 118 -11.886 2.620 6.684 1.00 72.21 H new ATOM 0 HA GLN A 118 -11.824 -0.280 6.752 1.00 42.32 H new ATOM 0 HB2 GLN A 118 -9.690 1.886 6.555 1.00 71.51 H new ATOM 0 HB3 GLN A 118 -9.290 0.183 6.649 1.00 71.51 H new ATOM 0 HG2 GLN A 118 -10.959 1.499 4.449 1.00 13.34 H new ATOM 0 HG3 GLN A 118 -9.287 0.996 4.298 1.00 13.34 H new ATOM 0 HE21 GLN A 118 -12.652 -0.101 4.485 1.00 62.24 H new ATOM 0 HE22 GLN A 118 -12.347 -1.763 3.971 1.00 62.24 H new ATOM 1910 N VAL A 119 -10.639 1.385 9.391 1.00 34.34 N ATOM 1911 CA VAL A 119 -10.121 1.213 10.781 1.00 52.10 C ATOM 1912 C VAL A 119 -11.201 0.626 11.740 1.00 63.51 C ATOM 1913 O VAL A 119 -10.902 -0.226 12.580 1.00 72.23 O ATOM 1914 CB VAL A 119 -9.524 2.565 11.356 1.00 72.41 C ATOM 1915 CG1 VAL A 119 -10.611 3.644 11.583 1.00 60.42 C ATOM 1916 CG2 VAL A 119 -8.707 2.321 12.651 1.00 2.30 C ATOM 0 H VAL A 119 -10.658 2.355 9.076 1.00 34.34 H new ATOM 0 HA VAL A 119 -9.309 0.489 10.724 1.00 52.10 H new ATOM 0 HB VAL A 119 -8.846 2.950 10.595 1.00 72.41 H new ATOM 0 HG11 VAL A 119 -10.149 4.549 11.977 1.00 60.42 H new ATOM 0 HG12 VAL A 119 -11.102 3.870 10.637 1.00 60.42 H new ATOM 0 HG13 VAL A 119 -11.348 3.273 12.295 1.00 60.42 H new ATOM 0 HG21 VAL A 119 -8.313 3.269 13.017 1.00 2.30 H new ATOM 0 HG22 VAL A 119 -9.352 1.879 13.410 1.00 2.30 H new ATOM 0 HG23 VAL A 119 -7.881 1.643 12.438 1.00 2.30 H new ATOM 1926 N SER A 120 -12.460 1.067 11.573 1.00 52.01 N ATOM 1927 CA SER A 120 -13.610 0.542 12.346 1.00 2.33 C ATOM 1928 C SER A 120 -13.991 -0.895 11.898 1.00 32.42 C ATOM 1929 O SER A 120 -14.336 -1.755 12.719 1.00 24.04 O ATOM 1930 CB SER A 120 -14.826 1.489 12.190 1.00 10.21 C ATOM 1931 OG SER A 120 -14.498 2.827 12.560 1.00 13.22 O ATOM 0 H SER A 120 -12.713 1.793 10.903 1.00 52.01 H new ATOM 0 HA SER A 120 -13.317 0.496 13.395 1.00 2.33 H new ATOM 0 HB2 SER A 120 -15.172 1.471 11.157 1.00 10.21 H new ATOM 0 HB3 SER A 120 -15.649 1.131 12.808 1.00 10.21 H new ATOM 0 HG SER A 120 -14.208 3.324 11.767 1.00 13.22 H new ATOM 1937 N LYS A 121 -13.906 -1.135 10.578 1.00 62.24 N ATOM 1938 CA LYS A 121 -14.348 -2.397 9.938 1.00 74.04 C ATOM 1939 C LYS A 121 -13.384 -3.571 10.217 1.00 62.24 C ATOM 1940 O LYS A 121 -13.840 -4.684 10.435 1.00 0.03 O ATOM 1941 CB LYS A 121 -14.522 -2.171 8.428 1.00 52.22 C ATOM 1942 CG LYS A 121 -15.136 -3.326 7.620 1.00 4.52 C ATOM 1943 CD LYS A 121 -15.573 -2.899 6.187 1.00 62.52 C ATOM 1944 CE LYS A 121 -16.813 -1.958 6.157 1.00 73.45 C ATOM 1945 NZ LYS A 121 -16.519 -0.545 6.533 1.00 33.11 N ATOM 0 H LYS A 121 -13.527 -0.457 9.917 1.00 62.24 H new ATOM 0 HA LYS A 121 -15.305 -2.679 10.376 1.00 74.04 H new ATOM 0 HB2 LYS A 121 -15.146 -1.288 8.286 1.00 52.22 H new ATOM 0 HB3 LYS A 121 -13.544 -1.942 8.004 1.00 52.22 H new ATOM 0 HG2 LYS A 121 -14.411 -4.137 7.547 1.00 4.52 H new ATOM 0 HG3 LYS A 121 -16.000 -3.718 8.156 1.00 4.52 H new ATOM 0 HD2 LYS A 121 -14.738 -2.398 5.698 1.00 62.52 H new ATOM 0 HD3 LYS A 121 -15.794 -3.793 5.604 1.00 62.52 H new ATOM 0 HE2 LYS A 121 -17.242 -1.974 5.155 1.00 73.45 H new ATOM 0 HE3 LYS A 121 -17.570 -2.352 6.835 1.00 73.45 H new ATOM 0 HZ1 LYS A 121 -17.015 -0.310 7.416 1.00 33.11 H new ATOM 0 HZ2 LYS A 121 -15.495 -0.428 6.670 1.00 33.11 H new ATOM 0 HZ3 LYS A 121 -16.842 0.090 5.775 1.00 33.11 H new ATOM 1959 N LEU A 122 -12.062 -3.296 10.225 1.00 54.01 N ATOM 1960 CA LEU A 122 -11.009 -4.300 10.548 1.00 61.42 C ATOM 1961 C LEU A 122 -11.232 -4.916 11.949 1.00 22.13 C ATOM 1962 O LEU A 122 -10.904 -6.079 12.184 1.00 1.41 O ATOM 1963 CB LEU A 122 -9.590 -3.665 10.463 1.00 43.43 C ATOM 1964 CG LEU A 122 -9.165 -3.100 9.068 1.00 23.11 C ATOM 1965 CD1 LEU A 122 -7.777 -2.426 9.133 1.00 50.13 C ATOM 1966 CD2 LEU A 122 -9.215 -4.188 7.974 1.00 52.22 C ATOM 0 H LEU A 122 -11.688 -2.372 10.008 1.00 54.01 H new ATOM 0 HA LEU A 122 -11.080 -5.097 9.808 1.00 61.42 H new ATOM 0 HB2 LEU A 122 -9.533 -2.856 11.191 1.00 43.43 H new ATOM 0 HB3 LEU A 122 -8.860 -4.417 10.764 1.00 43.43 H new ATOM 0 HG LEU A 122 -9.889 -2.333 8.793 1.00 23.11 H new ATOM 0 HD11 LEU A 122 -7.511 -2.044 8.147 1.00 50.13 H new ATOM 0 HD12 LEU A 122 -7.806 -1.602 9.846 1.00 50.13 H new ATOM 0 HD13 LEU A 122 -7.033 -3.156 9.452 1.00 50.13 H new ATOM 0 HD21 LEU A 122 -8.913 -3.758 7.019 1.00 52.22 H new ATOM 0 HD22 LEU A 122 -8.537 -5.000 8.237 1.00 52.22 H new ATOM 0 HD23 LEU A 122 -10.230 -4.576 7.893 1.00 52.22 H new ATOM 1978 N ARG A 123 -11.812 -4.111 12.856 1.00 41.22 N ATOM 1979 CA ARG A 123 -12.142 -4.529 14.230 1.00 34.42 C ATOM 1980 C ARG A 123 -13.371 -5.477 14.259 1.00 42.41 C ATOM 1981 O ARG A 123 -13.301 -6.574 14.826 1.00 2.21 O ATOM 1982 CB ARG A 123 -12.395 -3.272 15.105 1.00 34.25 C ATOM 1983 CG ARG A 123 -11.201 -2.293 15.157 1.00 75.11 C ATOM 1984 CD ARG A 123 -11.475 -1.058 16.031 1.00 43.31 C ATOM 1985 NE ARG A 123 -11.748 -1.420 17.438 1.00 1.34 N ATOM 1986 CZ ARG A 123 -12.140 -0.591 18.379 1.00 0.41 C ATOM 1987 NH1 ARG A 123 -12.350 0.666 18.134 1.00 72.05 N ATOM 1988 NH2 ARG A 123 -12.322 -1.039 19.574 1.00 30.43 N ATOM 0 H ARG A 123 -12.067 -3.144 12.655 1.00 41.22 H new ATOM 0 HA ARG A 123 -11.298 -5.087 14.635 1.00 34.42 H new ATOM 0 HB2 ARG A 123 -13.268 -2.744 14.721 1.00 34.25 H new ATOM 0 HB3 ARG A 123 -12.635 -3.590 16.119 1.00 34.25 H new ATOM 0 HG2 ARG A 123 -10.326 -2.816 15.541 1.00 75.11 H new ATOM 0 HG3 ARG A 123 -10.960 -1.969 14.145 1.00 75.11 H new ATOM 0 HD2 ARG A 123 -10.616 -0.388 15.990 1.00 43.31 H new ATOM 0 HD3 ARG A 123 -12.326 -0.510 15.627 1.00 43.31 H new ATOM 0 HE ARG A 123 -11.621 -2.397 17.701 1.00 1.34 H new ATOM 0 HH11 ARG A 123 -12.211 1.032 17.192 1.00 72.05 H new ATOM 0 HH12 ARG A 123 -12.654 1.288 18.883 1.00 72.05 H new ATOM 0 HH21 ARG A 123 -12.162 -2.025 19.779 1.00 30.43 H new ATOM 0 HH22 ARG A 123 -12.626 -0.407 20.315 1.00 30.43 H new ATOM 2002 N ARG A 124 -14.491 -5.060 13.619 1.00 23.24 N ATOM 2003 CA ARG A 124 -15.761 -5.847 13.643 1.00 54.12 C ATOM 2004 C ARG A 124 -15.702 -7.125 12.756 1.00 4.24 C ATOM 2005 O ARG A 124 -16.433 -8.086 13.003 1.00 75.15 O ATOM 2006 CB ARG A 124 -16.999 -4.938 13.321 1.00 11.11 C ATOM 2007 CG ARG A 124 -16.978 -4.130 11.989 1.00 31.14 C ATOM 2008 CD ARG A 124 -17.249 -4.978 10.723 1.00 42.43 C ATOM 2009 NE ARG A 124 -18.495 -5.763 10.827 1.00 21.21 N ATOM 2010 CZ ARG A 124 -18.767 -6.868 10.155 1.00 64.23 C ATOM 2011 NH1 ARG A 124 -17.935 -7.358 9.292 1.00 44.21 N ATOM 2012 NH2 ARG A 124 -19.890 -7.472 10.359 1.00 3.15 N ATOM 0 H ARG A 124 -14.547 -4.194 13.084 1.00 23.24 H new ATOM 0 HA ARG A 124 -15.888 -6.214 14.661 1.00 54.12 H new ATOM 0 HB2 ARG A 124 -17.887 -5.570 13.316 1.00 11.11 H new ATOM 0 HB3 ARG A 124 -17.117 -4.230 14.141 1.00 11.11 H new ATOM 0 HG2 ARG A 124 -17.724 -3.337 12.047 1.00 31.14 H new ATOM 0 HG3 ARG A 124 -16.006 -3.647 11.887 1.00 31.14 H new ATOM 0 HD2 ARG A 124 -17.308 -4.321 9.855 1.00 42.43 H new ATOM 0 HD3 ARG A 124 -16.410 -5.654 10.555 1.00 42.43 H new ATOM 0 HE ARG A 124 -19.207 -5.423 11.473 1.00 21.21 H new ATOM 0 HH11 ARG A 124 -17.046 -6.890 9.118 1.00 44.21 H new ATOM 0 HH12 ARG A 124 -18.169 -8.212 8.786 1.00 44.21 H new ATOM 0 HH21 ARG A 124 -20.556 -7.095 11.033 1.00 3.15 H new ATOM 0 HH22 ARG A 124 -20.111 -8.326 9.846 1.00 3.15 H new ATOM 2026 N THR A 125 -14.833 -7.123 11.718 1.00 44.24 N ATOM 2027 CA THR A 125 -14.571 -8.329 10.880 1.00 11.21 C ATOM 2028 C THR A 125 -13.467 -9.200 11.523 1.00 52.34 C ATOM 2029 O THR A 125 -13.381 -10.398 11.252 1.00 25.21 O ATOM 2030 CB THR A 125 -14.155 -7.967 9.397 1.00 73.02 C ATOM 2031 OG1 THR A 125 -14.220 -9.136 8.553 1.00 63.14 O ATOM 2032 CG2 THR A 125 -12.736 -7.373 9.297 1.00 4.13 C ATOM 0 H THR A 125 -14.298 -6.301 11.436 1.00 44.24 H new ATOM 0 HA THR A 125 -15.508 -8.883 10.833 1.00 11.21 H new ATOM 0 HB THR A 125 -14.865 -7.210 9.064 1.00 73.02 H new ATOM 0 HG1 THR A 125 -13.961 -8.894 7.639 1.00 63.14 H new ATOM 0 HG21 THR A 125 -12.509 -7.146 8.255 1.00 4.13 H new ATOM 0 HG22 THR A 125 -12.682 -6.459 9.888 1.00 4.13 H new ATOM 0 HG23 THR A 125 -12.012 -8.094 9.677 1.00 4.13 H new ATOM 2040 N CYS A 126 -12.637 -8.553 12.377 1.00 40.22 N ATOM 2041 CA CYS A 126 -11.472 -9.167 13.050 1.00 34.43 C ATOM 2042 C CYS A 126 -10.451 -9.730 12.028 1.00 23.42 C ATOM 2043 O CYS A 126 -10.314 -10.947 11.863 1.00 72.04 O ATOM 2044 CB CYS A 126 -11.918 -10.233 14.084 1.00 45.25 C ATOM 2045 SG CYS A 126 -13.033 -9.590 15.357 1.00 34.23 S ATOM 0 H CYS A 126 -12.763 -7.571 12.620 1.00 40.22 H new ATOM 0 HA CYS A 126 -10.957 -8.382 13.603 1.00 34.43 H new ATOM 0 HB2 CYS A 126 -12.413 -11.051 13.559 1.00 45.25 H new ATOM 0 HB3 CYS A 126 -11.034 -10.652 14.565 1.00 45.25 H new ATOM 0 HG CYS A 126 -13.090 -8.294 15.270 1.00 34.23 H new ATOM 2051 N GLY A 127 -9.764 -8.815 11.316 1.00 2.31 N ATOM 2052 CA GLY A 127 -8.752 -9.192 10.315 1.00 64.24 C ATOM 2053 C GLY A 127 -8.687 -8.215 9.136 1.00 72.54 C ATOM 2054 O GLY A 127 -7.929 -7.240 9.171 1.00 73.03 O ATOM 0 H GLY A 127 -9.893 -7.808 11.417 1.00 2.31 H new ATOM 0 HA2 GLY A 127 -7.774 -9.241 10.795 1.00 64.24 H new ATOM 0 HA3 GLY A 127 -8.973 -10.191 9.940 1.00 64.24 H new ATOM 2058 N PHE A 128 -9.504 -8.476 8.094 1.00 61.52 N ATOM 2059 CA PHE A 128 -9.475 -7.704 6.825 1.00 12.24 C ATOM 2060 C PHE A 128 -10.870 -7.665 6.145 1.00 52.04 C ATOM 2061 O PHE A 128 -11.636 -8.636 6.229 1.00 34.21 O ATOM 2062 CB PHE A 128 -8.410 -8.299 5.853 1.00 64.44 C ATOM 2063 CG PHE A 128 -8.670 -9.754 5.425 1.00 62.13 C ATOM 2064 CD1 PHE A 128 -8.301 -10.823 6.247 1.00 34.34 C ATOM 2065 CD2 PHE A 128 -9.281 -10.050 4.200 1.00 43.34 C ATOM 2066 CE1 PHE A 128 -8.548 -12.131 5.868 1.00 53.54 C ATOM 2067 CE2 PHE A 128 -9.525 -11.359 3.823 1.00 14.03 C ATOM 2068 CZ PHE A 128 -9.152 -12.398 4.654 1.00 33.51 C ATOM 0 H PHE A 128 -10.200 -9.222 8.104 1.00 61.52 H new ATOM 0 HA PHE A 128 -9.199 -6.678 7.068 1.00 12.24 H new ATOM 0 HB2 PHE A 128 -8.364 -7.675 4.960 1.00 64.44 H new ATOM 0 HB3 PHE A 128 -7.432 -8.245 6.331 1.00 64.44 H new ATOM 0 HD1 PHE A 128 -7.816 -10.625 7.192 1.00 34.34 H new ATOM 0 HD2 PHE A 128 -9.566 -9.244 3.540 1.00 43.34 H new ATOM 0 HE1 PHE A 128 -8.268 -12.944 6.522 1.00 53.54 H new ATOM 0 HE2 PHE A 128 -10.007 -11.568 2.879 1.00 14.03 H new ATOM 0 HZ PHE A 128 -9.333 -13.420 4.355 1.00 33.51 H new ATOM 2078 N LEU A 129 -11.181 -6.520 5.498 1.00 22.25 N ATOM 2079 CA LEU A 129 -12.369 -6.350 4.620 1.00 53.25 C ATOM 2080 C LEU A 129 -12.222 -5.020 3.827 1.00 14.35 C ATOM 2081 O LEU A 129 -12.523 -3.929 4.338 1.00 2.34 O ATOM 2082 CB LEU A 129 -13.700 -6.407 5.435 1.00 30.32 C ATOM 2083 CG LEU A 129 -15.031 -6.454 4.608 1.00 41.32 C ATOM 2084 CD1 LEU A 129 -15.013 -7.579 3.547 1.00 20.42 C ATOM 2085 CD2 LEU A 129 -16.259 -6.598 5.542 1.00 52.14 C ATOM 0 H LEU A 129 -10.611 -5.677 5.569 1.00 22.25 H new ATOM 0 HA LEU A 129 -12.417 -7.177 3.912 1.00 53.25 H new ATOM 0 HB2 LEU A 129 -13.668 -7.287 6.078 1.00 30.32 H new ATOM 0 HB3 LEU A 129 -13.736 -5.536 6.089 1.00 30.32 H new ATOM 0 HG LEU A 129 -15.113 -5.506 4.075 1.00 41.32 H new ATOM 0 HD11 LEU A 129 -15.954 -7.576 2.997 1.00 20.42 H new ATOM 0 HD12 LEU A 129 -14.188 -7.413 2.855 1.00 20.42 H new ATOM 0 HD13 LEU A 129 -14.885 -8.542 4.040 1.00 20.42 H new ATOM 0 HD21 LEU A 129 -17.170 -6.628 4.944 1.00 52.14 H new ATOM 0 HD22 LEU A 129 -16.172 -7.520 6.118 1.00 52.14 H new ATOM 0 HD23 LEU A 129 -16.300 -5.748 6.223 1.00 52.14 H new ATOM 2097 N GLU A 130 -11.760 -5.146 2.569 1.00 4.11 N ATOM 2098 CA GLU A 130 -11.220 -4.022 1.765 1.00 43.03 C ATOM 2099 C GLU A 130 -12.351 -3.149 1.146 1.00 3.20 C ATOM 2100 O GLU A 130 -13.226 -3.665 0.445 1.00 12.01 O ATOM 2101 CB GLU A 130 -10.274 -4.587 0.637 1.00 21.12 C ATOM 2102 CG GLU A 130 -8.965 -3.788 0.399 1.00 1.32 C ATOM 2103 CD GLU A 130 -9.192 -2.281 0.166 1.00 30.31 C ATOM 2104 OE1 GLU A 130 -9.522 -1.881 -0.970 1.00 21.22 O ATOM 2105 OE2 GLU A 130 -9.083 -1.499 1.137 1.00 22.11 O ATOM 0 H GLU A 130 -11.749 -6.037 2.073 1.00 4.11 H new ATOM 0 HA GLU A 130 -10.648 -3.375 2.430 1.00 43.03 H new ATOM 0 HB2 GLU A 130 -10.011 -5.614 0.889 1.00 21.12 H new ATOM 0 HB3 GLU A 130 -10.833 -4.621 -0.298 1.00 21.12 H new ATOM 0 HG2 GLU A 130 -8.309 -3.919 1.259 1.00 1.32 H new ATOM 0 HG3 GLU A 130 -8.447 -4.206 -0.464 1.00 1.32 H new ATOM 2112 N HIS A 131 -12.299 -1.816 1.392 1.00 22.14 N ATOM 2113 CA HIS A 131 -13.287 -0.829 0.852 1.00 34.33 C ATOM 2114 C HIS A 131 -12.611 0.495 0.388 1.00 63.54 C ATOM 2115 O HIS A 131 -13.304 1.471 0.066 1.00 72.54 O ATOM 2116 CB HIS A 131 -14.420 -0.539 1.885 1.00 50.33 C ATOM 2117 CG HIS A 131 -15.475 -1.617 1.959 1.00 14.13 C ATOM 2118 ND1 HIS A 131 -16.683 -1.531 1.298 1.00 12.41 N ATOM 2119 CD2 HIS A 131 -15.511 -2.795 2.631 1.00 53.25 C ATOM 2120 CE1 HIS A 131 -17.409 -2.595 1.562 1.00 13.22 C ATOM 2121 NE2 HIS A 131 -16.723 -3.378 2.368 1.00 11.12 N ATOM 0 H HIS A 131 -11.575 -1.388 1.969 1.00 22.14 H new ATOM 0 HA HIS A 131 -13.735 -1.288 -0.030 1.00 34.33 H new ATOM 0 HB2 HIS A 131 -13.974 -0.413 2.872 1.00 50.33 H new ATOM 0 HB3 HIS A 131 -14.898 0.406 1.628 1.00 50.33 H new ATOM 0 HD2 HIS A 131 -14.729 -3.199 3.257 1.00 53.25 H new ATOM 0 HE1 HIS A 131 -18.400 -2.793 1.182 1.00 13.22 H new ATOM 0 HE2 HIS A 131 -17.042 -4.274 2.737 1.00 11.12 H new ATOM 2130 N HIS A 132 -11.266 0.514 0.331 1.00 61.12 N ATOM 2131 CA HIS A 132 -10.489 1.606 -0.307 1.00 64.33 C ATOM 2132 C HIS A 132 -10.472 1.340 -1.840 1.00 63.20 C ATOM 2133 O HIS A 132 -9.441 0.987 -2.425 1.00 62.44 O ATOM 2134 CB HIS A 132 -9.059 1.649 0.320 1.00 3.23 C ATOM 2135 CG HIS A 132 -8.186 2.826 -0.052 1.00 25.40 C ATOM 2136 ND1 HIS A 132 -7.799 3.789 0.860 1.00 43.41 N ATOM 2137 CD2 HIS A 132 -7.566 3.158 -1.216 1.00 14.13 C ATOM 2138 CE1 HIS A 132 -6.987 4.650 0.280 1.00 31.43 C ATOM 2139 NE2 HIS A 132 -6.832 4.292 -0.975 1.00 62.01 N ATOM 0 H HIS A 132 -10.683 -0.225 0.724 1.00 61.12 H new ATOM 0 HA HIS A 132 -10.938 2.585 -0.136 1.00 64.33 H new ATOM 0 HB2 HIS A 132 -9.163 1.633 1.405 1.00 3.23 H new ATOM 0 HB3 HIS A 132 -8.536 0.735 0.037 1.00 3.23 H new ATOM 0 HD2 HIS A 132 -7.638 2.628 -2.154 1.00 14.13 H new ATOM 0 HE1 HIS A 132 -6.527 5.504 0.755 1.00 31.43 H new ATOM 0 HE2 HIS A 132 -6.257 4.780 -1.662 1.00 62.01 H new ATOM 2148 N HIS A 133 -11.663 1.482 -2.467 1.00 41.54 N ATOM 2149 CA HIS A 133 -11.907 1.049 -3.864 1.00 75.13 C ATOM 2150 C HIS A 133 -11.057 1.826 -4.901 1.00 21.10 C ATOM 2151 O HIS A 133 -10.605 2.952 -4.641 1.00 44.13 O ATOM 2152 CB HIS A 133 -13.425 1.122 -4.197 1.00 4.32 C ATOM 2153 CG HIS A 133 -14.068 2.473 -3.999 1.00 12.53 C ATOM 2154 ND1 HIS A 133 -14.784 2.806 -2.866 1.00 42.24 N ATOM 2155 CD2 HIS A 133 -14.140 3.561 -4.810 1.00 1.12 C ATOM 2156 CE1 HIS A 133 -15.271 4.022 -2.991 1.00 34.11 C ATOM 2157 NE2 HIS A 133 -14.894 4.502 -4.154 1.00 52.13 N ATOM 0 H HIS A 133 -12.480 1.899 -2.021 1.00 41.54 H new ATOM 0 HA HIS A 133 -11.583 0.011 -3.937 1.00 75.13 H new ATOM 0 HB2 HIS A 133 -13.567 0.820 -5.235 1.00 4.32 H new ATOM 0 HB3 HIS A 133 -13.951 0.394 -3.578 1.00 4.32 H new ATOM 0 HD2 HIS A 133 -13.689 3.666 -5.786 1.00 1.12 H new ATOM 0 HE1 HIS A 133 -15.878 4.538 -2.261 1.00 34.11 H new ATOM 0 HE2 HIS A 133 -15.125 5.428 -4.513 1.00 52.13 H new ATOM 2166 N HIS A 134 -10.872 1.197 -6.078 1.00 14.14 N ATOM 2167 CA HIS A 134 -9.951 1.668 -7.128 1.00 32.02 C ATOM 2168 C HIS A 134 -10.391 3.038 -7.717 1.00 63.03 C ATOM 2169 O HIS A 134 -11.299 3.110 -8.551 1.00 72.15 O ATOM 2170 CB HIS A 134 -9.846 0.581 -8.242 1.00 21.54 C ATOM 2171 CG HIS A 134 -8.783 0.816 -9.301 1.00 41.03 C ATOM 2172 ND1 HIS A 134 -7.682 -0.001 -9.456 1.00 30.35 N ATOM 2173 CD2 HIS A 134 -8.679 1.749 -10.284 1.00 33.32 C ATOM 2174 CE1 HIS A 134 -6.958 0.413 -10.479 1.00 72.13 C ATOM 2175 NE2 HIS A 134 -7.541 1.471 -11.002 1.00 33.21 N ATOM 0 H HIS A 134 -11.363 0.339 -6.328 1.00 14.14 H new ATOM 0 HA HIS A 134 -8.969 1.826 -6.683 1.00 32.02 H new ATOM 0 HB2 HIS A 134 -9.652 -0.381 -7.767 1.00 21.54 H new ATOM 0 HB3 HIS A 134 -10.814 0.502 -8.738 1.00 21.54 H new ATOM 0 HD2 HIS A 134 -9.366 2.562 -10.467 1.00 33.32 H new ATOM 0 HE1 HIS A 134 -6.042 -0.040 -10.828 1.00 72.13 H new ATOM 0 HE2 HIS A 134 -7.204 1.998 -11.808 1.00 33.21 H new ATOM 2184 N HIS A 135 -9.753 4.119 -7.228 1.00 12.33 N ATOM 2185 CA HIS A 135 -9.825 5.464 -7.843 1.00 74.21 C ATOM 2186 C HIS A 135 -8.379 5.992 -8.063 1.00 24.43 C ATOM 2187 O HIS A 135 -7.577 6.038 -7.116 1.00 0.14 O ATOM 2188 CB HIS A 135 -10.695 6.439 -6.981 1.00 24.24 C ATOM 2189 CG HIS A 135 -10.135 6.805 -5.624 1.00 31.45 C ATOM 2190 ND1 HIS A 135 -10.040 5.910 -4.583 1.00 4.11 N ATOM 2191 CD2 HIS A 135 -9.635 7.977 -5.143 1.00 51.45 C ATOM 2192 CE1 HIS A 135 -9.508 6.507 -3.534 1.00 45.41 C ATOM 2193 NE2 HIS A 135 -9.255 7.761 -3.841 1.00 24.34 N ATOM 0 H HIS A 135 -9.170 4.086 -6.392 1.00 12.33 H new ATOM 0 HA HIS A 135 -10.321 5.401 -8.811 1.00 74.21 H new ATOM 0 HB2 HIS A 135 -10.847 7.357 -7.549 1.00 24.24 H new ATOM 0 HB3 HIS A 135 -11.676 5.987 -6.837 1.00 24.24 H new ATOM 0 HD1 HIS A 135 -10.336 4.934 -4.617 1.00 4.11 H new ATOM 0 HD2 HIS A 135 -9.552 8.907 -5.686 1.00 51.45 H new ATOM 0 HE1 HIS A 135 -9.312 6.042 -2.579 1.00 45.41 H new ATOM 2202 N HIS A 136 -8.060 6.340 -9.327 1.00 4.41 N ATOM 2203 CA HIS A 136 -6.706 6.762 -9.778 1.00 73.10 C ATOM 2204 C HIS A 136 -5.641 5.671 -9.497 1.00 22.04 C ATOM 2205 O HIS A 136 -5.397 4.774 -10.313 1.00 34.00 O ATOM 2206 CB HIS A 136 -6.293 8.129 -9.143 1.00 14.04 C ATOM 2207 CG HIS A 136 -5.065 8.758 -9.758 1.00 42.14 C ATOM 2208 ND1 HIS A 136 -5.122 9.563 -10.873 1.00 1.44 N ATOM 2209 CD2 HIS A 136 -3.752 8.691 -9.421 1.00 13.42 C ATOM 2210 CE1 HIS A 136 -3.912 9.960 -11.197 1.00 53.14 C ATOM 2211 NE2 HIS A 136 -3.061 9.448 -10.336 1.00 13.23 N ATOM 0 H HIS A 136 -8.746 6.337 -10.082 1.00 4.41 H new ATOM 0 HA HIS A 136 -6.756 6.899 -10.858 1.00 73.10 H new ATOM 0 HB2 HIS A 136 -7.127 8.825 -9.234 1.00 14.04 H new ATOM 0 HB3 HIS A 136 -6.116 7.982 -8.078 1.00 14.04 H new ATOM 0 HD1 HIS A 136 -5.975 9.814 -11.373 1.00 1.44 H new ATOM 0 HD2 HIS A 136 -3.330 8.145 -8.590 1.00 13.42 H new ATOM 0 HE1 HIS A 136 -3.659 10.599 -12.030 1.00 53.14 H new TER 2220 HIS A 136