USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 606 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 22 SER OG : rot -126:sc= -2.77 USER MOD Set 1.2: A 48 MET CE :methyl 180:sc= -2.11! (180deg=-2.11!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.131 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0631 USER MOD Single : A 5 SER OG : rot 8:sc= 0.294 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= -0.0149 (180deg=-0.2) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 24 SER OG : rot -10:sc= 0.935 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 30 GLN : amide:sc=-0.00588 X(o=-0.0059,f=0) USER MOD Single : A 31 TYR OH : rot -19:sc= -0.122 USER MOD Single : A 32 THR OG1 : rot 132:sc= -1.46 USER MOD Single : A 38 HIS : no HE2:sc= -4.38! C(o=-4.4!,f=-7.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 40:sc=0.000397 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 58 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.1!) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= -0.0316 (180deg=-0.147) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.0588 X(o=-0.059,f=-0.24) USER MOD Single : A 95 SER OG : rot 55:sc= 0.76 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.684 14.647 4.186 1.00 0.00 N ATOM 2 CA GLY A 1 -41.777 15.251 2.869 1.00 0.00 C ATOM 3 C GLY A 1 -41.121 14.363 1.810 1.00 0.00 C ATOM 4 O GLY A 1 -40.688 13.251 2.109 1.00 0.00 O ATOM 0 H1 GLY A 1 -42.639 14.445 4.544 1.00 0.00 H new ATOM 0 H2 GLY A 1 -41.143 13.761 4.124 1.00 0.00 H new ATOM 0 H3 GLY A 1 -41.203 15.302 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -42.824 15.415 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -41.295 16.228 2.879 1.00 0.00 H new ATOM 8 N SER A 2 -41.067 14.887 0.594 1.00 0.00 N ATOM 9 CA SER A 2 -40.472 14.155 -0.510 1.00 0.00 C ATOM 10 C SER A 2 -39.758 15.124 -1.456 1.00 0.00 C ATOM 11 O SER A 2 -39.923 16.337 -1.347 1.00 0.00 O ATOM 12 CB SER A 2 -41.527 13.350 -1.272 1.00 0.00 C ATOM 13 OG SER A 2 -42.309 12.538 -0.402 1.00 0.00 O ATOM 0 H SER A 2 -41.426 15.810 0.350 1.00 0.00 H new ATOM 0 HA SER A 2 -39.745 13.453 -0.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 -42.180 14.032 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 2 -41.036 12.719 -2.013 1.00 0.00 H new ATOM 0 HG SER A 2 -42.972 12.041 -0.926 1.00 0.00 H new ATOM 18 N SER A 3 -38.980 14.552 -2.362 1.00 0.00 N ATOM 19 CA SER A 3 -38.241 15.348 -3.326 1.00 0.00 C ATOM 20 C SER A 3 -38.655 14.966 -4.749 1.00 0.00 C ATOM 21 O SER A 3 -39.123 13.854 -4.985 1.00 0.00 O ATOM 22 CB SER A 3 -36.732 15.172 -3.146 1.00 0.00 C ATOM 23 OG SER A 3 -36.005 15.594 -4.296 1.00 0.00 O ATOM 0 H SER A 3 -38.845 13.545 -2.449 1.00 0.00 H new ATOM 0 HA SER A 3 -38.479 16.398 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.401 15.743 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.511 14.124 -2.941 1.00 0.00 H new ATOM 0 HG SER A 3 -35.046 15.467 -4.141 1.00 0.00 H new ATOM 28 N GLY A 4 -38.467 15.910 -5.660 1.00 0.00 N ATOM 29 CA GLY A 4 -38.814 15.686 -7.053 1.00 0.00 C ATOM 30 C GLY A 4 -38.201 16.763 -7.950 1.00 0.00 C ATOM 31 O GLY A 4 -38.344 17.954 -7.683 1.00 0.00 O ATOM 0 H GLY A 4 -38.079 16.832 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -38.462 14.703 -7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -39.898 15.687 -7.166 1.00 0.00 H new ATOM 35 N SER A 5 -37.530 16.303 -8.997 1.00 0.00 N ATOM 36 CA SER A 5 -36.895 17.212 -9.936 1.00 0.00 C ATOM 37 C SER A 5 -36.848 16.578 -11.328 1.00 0.00 C ATOM 38 O SER A 5 -37.106 15.385 -11.479 1.00 0.00 O ATOM 39 CB SER A 5 -35.484 17.583 -9.475 1.00 0.00 C ATOM 40 OG SER A 5 -35.503 18.489 -8.375 1.00 0.00 O ATOM 0 H SER A 5 -37.413 15.314 -9.215 1.00 0.00 H new ATOM 0 HA SER A 5 -37.487 18.126 -9.979 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.946 16.679 -9.191 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.938 18.031 -10.305 1.00 0.00 H new ATOM 0 HG SER A 5 -36.423 18.595 -8.054 1.00 0.00 H new ATOM 45 N SER A 6 -36.519 17.405 -12.309 1.00 0.00 N ATOM 46 CA SER A 6 -36.436 16.940 -13.683 1.00 0.00 C ATOM 47 C SER A 6 -34.997 17.059 -14.190 1.00 0.00 C ATOM 48 O SER A 6 -34.312 18.038 -13.898 1.00 0.00 O ATOM 49 CB SER A 6 -37.384 17.728 -14.590 1.00 0.00 C ATOM 50 OG SER A 6 -37.367 17.243 -15.929 1.00 0.00 O ATOM 0 H SER A 6 -36.307 18.394 -12.180 1.00 0.00 H new ATOM 0 HA SER A 6 -36.739 15.893 -13.708 1.00 0.00 H new ATOM 0 HB2 SER A 6 -38.398 17.667 -14.195 1.00 0.00 H new ATOM 0 HB3 SER A 6 -37.102 18.781 -14.582 1.00 0.00 H new ATOM 0 HG SER A 6 -37.986 17.770 -16.476 1.00 0.00 H new ATOM 55 N GLY A 7 -34.582 16.049 -14.941 1.00 0.00 N ATOM 56 CA GLY A 7 -33.237 16.029 -15.490 1.00 0.00 C ATOM 57 C GLY A 7 -32.352 15.033 -14.738 1.00 0.00 C ATOM 58 O GLY A 7 -32.856 14.147 -14.050 1.00 0.00 O ATOM 0 H GLY A 7 -35.153 15.239 -15.182 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -33.275 15.761 -16.546 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -32.801 17.026 -15.429 1.00 0.00 H new ATOM 62 N THR A 8 -31.049 15.213 -14.893 1.00 0.00 N ATOM 63 CA THR A 8 -30.089 14.342 -14.237 1.00 0.00 C ATOM 64 C THR A 8 -28.944 15.161 -13.642 1.00 0.00 C ATOM 65 O THR A 8 -28.470 16.114 -14.260 1.00 0.00 O ATOM 66 CB THR A 8 -29.624 13.299 -15.256 1.00 0.00 C ATOM 67 OG1 THR A 8 -28.703 12.490 -14.530 1.00 0.00 O ATOM 68 CG2 THR A 8 -28.780 13.910 -16.376 1.00 0.00 C ATOM 0 H THR A 8 -30.635 15.950 -15.464 1.00 0.00 H new ATOM 0 HA THR A 8 -30.542 13.817 -13.396 1.00 0.00 H new ATOM 0 HB THR A 8 -30.493 12.801 -15.686 1.00 0.00 H new ATOM 0 HG1 THR A 8 -28.354 11.786 -15.116 1.00 0.00 H new ATOM 0 HG21 THR A 8 -28.476 13.127 -17.071 1.00 0.00 H new ATOM 0 HG22 THR A 8 -29.367 14.659 -16.907 1.00 0.00 H new ATOM 0 HG23 THR A 8 -27.894 14.380 -15.949 1.00 0.00 H new ATOM 76 N CYS A 9 -28.531 14.763 -12.448 1.00 0.00 N ATOM 77 CA CYS A 9 -27.450 15.449 -11.762 1.00 0.00 C ATOM 78 C CYS A 9 -27.200 14.740 -10.429 1.00 0.00 C ATOM 79 O CYS A 9 -28.066 14.728 -9.556 1.00 0.00 O ATOM 80 CB CYS A 9 -27.755 16.936 -11.568 1.00 0.00 C ATOM 81 SG CYS A 9 -26.300 17.940 -12.036 1.00 0.00 S ATOM 0 H CYS A 9 -28.926 13.973 -11.938 1.00 0.00 H new ATOM 0 HA CYS A 9 -26.547 15.407 -12.370 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -28.614 17.221 -12.175 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -28.021 17.128 -10.529 1.00 0.00 H new ATOM 0 HG CYS A 9 -26.571 19.201 -11.870 1.00 0.00 H new ATOM 86 N VAL A 10 -26.011 14.166 -10.314 1.00 0.00 N ATOM 87 CA VAL A 10 -25.636 13.456 -9.103 1.00 0.00 C ATOM 88 C VAL A 10 -24.183 13.784 -8.754 1.00 0.00 C ATOM 89 O VAL A 10 -23.371 14.046 -9.641 1.00 0.00 O ATOM 90 CB VAL A 10 -25.885 11.956 -9.277 1.00 0.00 C ATOM 91 CG1 VAL A 10 -27.367 11.672 -9.532 1.00 0.00 C ATOM 92 CG2 VAL A 10 -25.016 11.382 -10.397 1.00 0.00 C ATOM 0 H VAL A 10 -25.295 14.178 -11.040 1.00 0.00 H new ATOM 0 HA VAL A 10 -26.253 13.779 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 10 -25.604 11.460 -8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -27.516 10.599 -9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -27.956 12.028 -8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -27.685 12.186 -10.439 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -25.213 10.315 -10.499 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -25.251 11.886 -11.334 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -23.964 11.536 -10.156 1.00 0.00 H new ATOM 102 N PHE A 11 -23.899 13.760 -7.460 1.00 0.00 N ATOM 103 CA PHE A 11 -22.558 14.053 -6.983 1.00 0.00 C ATOM 104 C PHE A 11 -22.012 12.897 -6.141 1.00 0.00 C ATOM 105 O PHE A 11 -22.730 11.942 -5.852 1.00 0.00 O ATOM 106 CB PHE A 11 -22.657 15.302 -6.107 1.00 0.00 C ATOM 107 CG PHE A 11 -21.993 16.541 -6.712 1.00 0.00 C ATOM 108 CD1 PHE A 11 -20.644 16.697 -6.631 1.00 0.00 C ATOM 109 CD2 PHE A 11 -22.750 17.485 -7.331 1.00 0.00 C ATOM 110 CE1 PHE A 11 -20.027 17.846 -7.193 1.00 0.00 C ATOM 111 CE2 PHE A 11 -22.133 18.635 -7.893 1.00 0.00 C ATOM 112 CZ PHE A 11 -20.784 18.790 -7.812 1.00 0.00 C ATOM 0 H PHE A 11 -24.574 13.542 -6.727 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.887 14.202 -7.829 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -23.709 15.520 -5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -22.199 15.092 -5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -20.042 15.947 -6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -23.821 17.361 -7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -18.956 17.970 -7.129 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -22.735 19.385 -8.384 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.314 19.663 -8.240 1.00 0.00 H new ATOM 121 N GLU A 12 -20.746 13.022 -5.773 1.00 0.00 N ATOM 122 CA GLU A 12 -20.094 12.001 -4.972 1.00 0.00 C ATOM 123 C GLU A 12 -19.066 12.637 -4.034 1.00 0.00 C ATOM 124 O GLU A 12 -17.941 12.920 -4.442 1.00 0.00 O ATOM 125 CB GLU A 12 -19.444 10.938 -5.859 1.00 0.00 C ATOM 126 CG GLU A 12 -18.870 9.797 -5.017 1.00 0.00 C ATOM 127 CD GLU A 12 -17.876 8.964 -5.829 1.00 0.00 C ATOM 128 OE1 GLU A 12 -18.220 8.636 -6.985 1.00 0.00 O ATOM 129 OE2 GLU A 12 -16.793 8.673 -5.274 1.00 0.00 O ATOM 0 H GLU A 12 -20.154 13.816 -6.015 1.00 0.00 H new ATOM 0 HA GLU A 12 -20.852 11.505 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.181 10.543 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.650 11.391 -6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.374 10.204 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.679 9.159 -4.662 1.00 0.00 H new ATOM 134 N LYS A 13 -19.489 12.842 -2.795 1.00 0.00 N ATOM 135 CA LYS A 13 -18.617 13.439 -1.797 1.00 0.00 C ATOM 136 C LYS A 13 -17.923 12.331 -1.003 1.00 0.00 C ATOM 137 O LYS A 13 -18.560 11.636 -0.213 1.00 0.00 O ATOM 138 CB LYS A 13 -19.399 14.423 -0.923 1.00 0.00 C ATOM 139 CG LYS A 13 -18.498 15.559 -0.436 1.00 0.00 C ATOM 140 CD LYS A 13 -18.576 16.764 -1.377 1.00 0.00 C ATOM 141 CE LYS A 13 -19.353 17.914 -0.732 1.00 0.00 C ATOM 142 NZ LYS A 13 -18.583 18.492 0.392 1.00 0.00 N ATOM 0 H LYS A 13 -20.423 12.606 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 13 -17.834 14.026 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.234 14.834 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -19.823 13.898 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.795 15.858 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.468 15.209 -0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.570 17.097 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.059 16.471 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.557 18.685 -1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -20.317 17.553 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.900 19.467 0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.736 17.921 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.571 18.495 0.154 1.00 0.00 H new ATOM 152 N GLU A 14 -16.626 12.200 -1.242 1.00 0.00 N ATOM 153 CA GLU A 14 -15.838 11.188 -0.559 1.00 0.00 C ATOM 154 C GLU A 14 -14.378 11.259 -1.009 1.00 0.00 C ATOM 155 O GLU A 14 -14.081 11.094 -2.191 1.00 0.00 O ATOM 156 CB GLU A 14 -16.417 9.792 -0.794 1.00 0.00 C ATOM 157 CG GLU A 14 -17.298 9.358 0.380 1.00 0.00 C ATOM 158 CD GLU A 14 -16.941 7.943 0.838 1.00 0.00 C ATOM 159 OE1 GLU A 14 -16.576 7.135 -0.043 1.00 0.00 O ATOM 160 OE2 GLU A 14 -17.041 7.701 2.061 1.00 0.00 O ATOM 0 H GLU A 14 -16.101 12.778 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 14 -15.877 11.386 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.002 9.787 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.606 9.076 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -17.175 10.055 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.347 9.395 0.086 1.00 0.00 H new ATOM 165 N ASN A 15 -13.505 11.505 -0.043 1.00 0.00 N ATOM 166 CA ASN A 15 -12.083 11.600 -0.326 1.00 0.00 C ATOM 167 C ASN A 15 -11.294 11.043 0.860 1.00 0.00 C ATOM 168 O ASN A 15 -11.585 11.366 2.011 1.00 0.00 O ATOM 169 CB ASN A 15 -11.659 13.055 -0.534 1.00 0.00 C ATOM 170 CG ASN A 15 -10.250 13.137 -1.126 1.00 0.00 C ATOM 171 OD1 ASN A 15 -9.251 13.053 -0.431 1.00 0.00 O ATOM 172 ND2 ASN A 15 -10.227 13.305 -2.445 1.00 0.00 N ATOM 0 H ASN A 15 -13.755 11.641 0.936 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.881 11.032 -1.234 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.366 13.552 -1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.689 13.586 0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.335 13.371 -2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.101 13.367 -2.966 1.00 0.00 H new ATOM 178 N ASP A 16 -10.311 10.215 0.539 1.00 0.00 N ATOM 179 CA ASP A 16 -9.477 9.609 1.564 1.00 0.00 C ATOM 180 C ASP A 16 -8.203 9.061 0.919 1.00 0.00 C ATOM 181 O ASP A 16 -8.233 8.023 0.259 1.00 0.00 O ATOM 182 CB ASP A 16 -10.201 8.445 2.245 1.00 0.00 C ATOM 183 CG ASP A 16 -10.545 8.673 3.719 1.00 0.00 C ATOM 184 OD1 ASP A 16 -10.269 9.793 4.200 1.00 0.00 O ATOM 185 OD2 ASP A 16 -11.077 7.721 4.330 1.00 0.00 O ATOM 0 H ASP A 16 -10.073 9.949 -0.417 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.244 10.373 2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.122 8.240 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.579 7.553 2.166 1.00 0.00 H new ATOM 189 N PRO A 17 -7.083 9.801 1.140 1.00 0.00 N ATOM 190 CA PRO A 17 -5.800 9.400 0.589 1.00 0.00 C ATOM 191 C PRO A 17 -5.214 8.219 1.366 1.00 0.00 C ATOM 192 O PRO A 17 -4.127 7.740 1.048 1.00 0.00 O ATOM 193 CB PRO A 17 -4.933 10.646 0.661 1.00 0.00 C ATOM 194 CG PRO A 17 -5.606 11.563 1.669 1.00 0.00 C ATOM 195 CD PRO A 17 -7.010 11.035 1.917 1.00 0.00 C ATOM 0 HA PRO A 17 -5.877 9.044 -0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.919 10.399 0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.857 11.126 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.038 11.589 2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.644 12.584 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.181 10.847 2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.766 11.752 1.595 1.00 0.00 H new ATOM 200 N THR A 18 -5.960 7.784 2.371 1.00 0.00 N ATOM 201 CA THR A 18 -5.529 6.670 3.196 1.00 0.00 C ATOM 202 C THR A 18 -6.168 5.367 2.710 1.00 0.00 C ATOM 203 O THR A 18 -6.676 4.583 3.510 1.00 0.00 O ATOM 204 CB THR A 18 -5.861 7.002 4.653 1.00 0.00 C ATOM 205 OG1 THR A 18 -7.248 7.333 4.625 1.00 0.00 O ATOM 206 CG2 THR A 18 -5.181 8.287 5.129 1.00 0.00 C ATOM 0 H THR A 18 -6.861 8.184 2.632 1.00 0.00 H new ATOM 0 HA THR A 18 -4.453 6.516 3.120 1.00 0.00 H new ATOM 0 HB THR A 18 -5.559 6.173 5.293 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.548 7.560 5.530 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.449 8.477 6.168 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.100 8.178 5.047 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.509 9.123 4.511 1.00 0.00 H new ATOM 214 N VAL A 19 -6.122 5.177 1.399 1.00 0.00 N ATOM 215 CA VAL A 19 -6.689 3.983 0.796 1.00 0.00 C ATOM 216 C VAL A 19 -5.730 3.450 -0.270 1.00 0.00 C ATOM 217 O VAL A 19 -5.507 4.099 -1.291 1.00 0.00 O ATOM 218 CB VAL A 19 -8.084 4.287 0.246 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.028 5.394 -0.809 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.739 3.024 -0.318 1.00 0.00 C ATOM 0 H VAL A 19 -5.701 5.830 0.738 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.812 3.199 1.544 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.700 4.643 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.033 5.591 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.623 6.302 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.388 5.079 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.729 3.268 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.125 2.625 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.830 2.278 0.471 1.00 0.00 H new ATOM 230 N LEU A 20 -5.187 2.272 0.003 1.00 0.00 N ATOM 231 CA LEU A 20 -4.257 1.644 -0.919 1.00 0.00 C ATOM 232 C LEU A 20 -5.043 0.873 -1.982 1.00 0.00 C ATOM 233 O LEU A 20 -5.301 -0.319 -1.825 1.00 0.00 O ATOM 234 CB LEU A 20 -3.246 0.784 -0.159 1.00 0.00 C ATOM 235 CG LEU A 20 -2.026 1.520 0.400 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.481 0.814 1.643 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.952 1.697 -0.676 1.00 0.00 C ATOM 0 H LEU A 20 -5.374 1.736 0.851 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.669 2.400 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.762 0.297 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.896 -0.005 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.341 2.517 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.615 1.358 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.253 0.784 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.187 -0.203 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.096 2.223 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.635 0.719 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.359 2.276 -1.505 1.00 0.00 H new ATOM 248 N ARG A 21 -5.399 1.586 -3.041 1.00 0.00 N ATOM 249 CA ARG A 21 -6.149 0.984 -4.131 1.00 0.00 C ATOM 250 C ARG A 21 -5.212 0.199 -5.050 1.00 0.00 C ATOM 251 O ARG A 21 -4.004 0.432 -5.057 1.00 0.00 O ATOM 252 CB ARG A 21 -6.883 2.049 -4.949 1.00 0.00 C ATOM 253 CG ARG A 21 -8.266 2.333 -4.364 1.00 0.00 C ATOM 254 CD ARG A 21 -9.292 2.574 -5.473 1.00 0.00 C ATOM 255 NE ARG A 21 -10.598 1.989 -5.093 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.509 2.616 -4.336 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.263 3.849 -3.875 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.666 2.007 -4.041 1.00 0.00 N ATOM 0 H ARG A 21 -5.182 2.575 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.884 0.308 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.296 2.967 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.983 1.715 -5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.583 1.492 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.217 3.206 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.402 3.644 -5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.943 2.130 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.818 1.051 -5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.382 4.311 -4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.957 4.326 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.852 1.068 -4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.360 2.483 -3.465 1.00 0.00 H new ATOM 269 N SER A 22 -5.804 -0.715 -5.805 1.00 0.00 N ATOM 270 CA SER A 22 -5.037 -1.535 -6.727 1.00 0.00 C ATOM 271 C SER A 22 -4.962 -0.854 -8.095 1.00 0.00 C ATOM 272 O SER A 22 -5.976 -0.407 -8.627 1.00 0.00 O ATOM 273 CB SER A 22 -5.649 -2.931 -6.862 1.00 0.00 C ATOM 274 OG SER A 22 -5.077 -3.663 -7.942 1.00 0.00 O ATOM 0 H SER A 22 -6.806 -0.906 -5.797 1.00 0.00 H new ATOM 0 HA SER A 22 -4.029 -1.647 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.503 -3.482 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.725 -2.842 -7.014 1.00 0.00 H new ATOM 0 HG SER A 22 -5.789 -3.981 -8.535 1.00 0.00 H new ATOM 279 N PRO A 23 -3.716 -0.796 -8.640 1.00 0.00 N ATOM 280 CA PRO A 23 -3.496 -0.178 -9.936 1.00 0.00 C ATOM 281 C PRO A 23 -3.986 -1.083 -11.067 1.00 0.00 C ATOM 282 O PRO A 23 -4.342 -0.604 -12.142 1.00 0.00 O ATOM 283 CB PRO A 23 -2.001 0.089 -9.995 1.00 0.00 C ATOM 284 CG PRO A 23 -1.376 -0.805 -8.936 1.00 0.00 C ATOM 285 CD PRO A 23 -2.492 -1.315 -8.039 1.00 0.00 C ATOM 0 HA PRO A 23 -4.059 0.747 -10.061 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.602 -0.139 -10.983 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.784 1.139 -9.798 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.850 -1.638 -9.402 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.641 -0.250 -8.353 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.501 -2.404 -7.999 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.372 -0.959 -7.016 1.00 0.00 H new ATOM 290 N SER A 24 -3.990 -2.378 -10.786 1.00 0.00 N ATOM 291 CA SER A 24 -4.431 -3.355 -11.766 1.00 0.00 C ATOM 292 C SER A 24 -4.790 -4.670 -11.069 1.00 0.00 C ATOM 293 O SER A 24 -4.338 -4.929 -9.955 1.00 0.00 O ATOM 294 CB SER A 24 -3.355 -3.595 -12.828 1.00 0.00 C ATOM 295 OG SER A 24 -3.124 -2.434 -13.623 1.00 0.00 O ATOM 0 H SER A 24 -3.695 -2.773 -9.893 1.00 0.00 H new ATOM 0 HA SER A 24 -5.316 -2.962 -12.266 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.426 -3.893 -12.342 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.658 -4.421 -13.471 1.00 0.00 H new ATOM 0 HG SER A 24 -3.811 -1.763 -13.429 1.00 0.00 H new ATOM 300 N ALA A 25 -5.598 -5.464 -11.756 1.00 0.00 N ATOM 301 CA ALA A 25 -6.023 -6.745 -11.216 1.00 0.00 C ATOM 302 C ALA A 25 -4.794 -7.621 -10.963 1.00 0.00 C ATOM 303 O ALA A 25 -3.693 -7.292 -11.404 1.00 0.00 O ATOM 304 CB ALA A 25 -7.017 -7.400 -12.178 1.00 0.00 C ATOM 0 H ALA A 25 -5.969 -5.246 -12.681 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.533 -6.609 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.336 -8.361 -11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.885 -6.752 -12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.539 -7.554 -13.145 1.00 0.00 H new ATOM 310 N GLY A 26 -5.022 -8.715 -10.254 1.00 0.00 N ATOM 311 CA GLY A 26 -3.947 -9.640 -9.938 1.00 0.00 C ATOM 312 C GLY A 26 -4.407 -10.689 -8.922 1.00 0.00 C ATOM 313 O GLY A 26 -5.517 -11.208 -9.021 1.00 0.00 O ATOM 0 H GLY A 26 -5.936 -8.983 -9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.608 -10.134 -10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.095 -9.090 -9.538 1.00 0.00 H new ATOM 317 N LYS A 27 -3.529 -10.970 -7.970 1.00 0.00 N ATOM 318 CA LYS A 27 -3.831 -11.946 -6.939 1.00 0.00 C ATOM 319 C LYS A 27 -2.871 -11.754 -5.763 1.00 0.00 C ATOM 320 O LYS A 27 -1.692 -12.089 -5.857 1.00 0.00 O ATOM 321 CB LYS A 27 -3.814 -13.361 -7.520 1.00 0.00 C ATOM 322 CG LYS A 27 -5.175 -14.040 -7.351 1.00 0.00 C ATOM 323 CD LYS A 27 -5.227 -15.364 -8.116 1.00 0.00 C ATOM 324 CE LYS A 27 -6.652 -15.677 -8.575 1.00 0.00 C ATOM 325 NZ LYS A 27 -6.951 -17.115 -8.393 1.00 0.00 N ATOM 0 H LYS A 27 -2.608 -10.538 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.840 -11.795 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.553 -13.321 -8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.044 -13.952 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.367 -14.220 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.963 -13.378 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.565 -15.315 -8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.861 -16.170 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.363 -15.077 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.771 -15.405 -9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.922 -17.310 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.283 -17.682 -8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.858 -17.364 -7.388 1.00 0.00 H new ATOM 335 N LEU A 28 -3.413 -11.212 -4.682 1.00 0.00 N ATOM 336 CA LEU A 28 -2.620 -10.970 -3.488 1.00 0.00 C ATOM 337 C LEU A 28 -1.929 -12.269 -3.068 1.00 0.00 C ATOM 338 O LEU A 28 -2.365 -13.356 -3.441 1.00 0.00 O ATOM 339 CB LEU A 28 -3.482 -10.348 -2.388 1.00 0.00 C ATOM 340 CG LEU A 28 -2.735 -9.534 -1.330 1.00 0.00 C ATOM 341 CD1 LEU A 28 -1.933 -8.401 -1.973 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.695 -9.019 -0.256 1.00 0.00 C ATOM 0 H LEU A 28 -4.391 -10.934 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.835 -10.243 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.224 -9.702 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.027 -11.147 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.021 -10.192 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.412 -7.839 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.206 -8.819 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.609 -7.736 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.138 -8.444 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.450 -8.383 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.182 -9.863 0.232 1.00 0.00 H new ATOM 353 N THR A 29 -0.864 -12.112 -2.296 1.00 0.00 N ATOM 354 CA THR A 29 -0.108 -13.260 -1.821 1.00 0.00 C ATOM 355 C THR A 29 0.352 -13.035 -0.379 1.00 0.00 C ATOM 356 O THR A 29 0.101 -13.865 0.493 1.00 0.00 O ATOM 357 CB THR A 29 1.046 -13.503 -2.796 1.00 0.00 C ATOM 358 OG1 THR A 29 1.731 -12.255 -2.841 1.00 0.00 O ATOM 359 CG2 THR A 29 0.563 -13.715 -4.232 1.00 0.00 C ATOM 0 H THR A 29 -0.506 -11.208 -1.987 1.00 0.00 H new ATOM 0 HA THR A 29 -0.726 -14.158 -1.796 1.00 0.00 H new ATOM 0 HB THR A 29 1.618 -14.373 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.496 -12.324 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.421 -13.883 -4.883 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.097 -14.582 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.020 -12.831 -4.568 1.00 0.00 H new ATOM 367 N GLN A 30 1.017 -11.907 -0.173 1.00 0.00 N ATOM 368 CA GLN A 30 1.514 -11.563 1.147 1.00 0.00 C ATOM 369 C GLN A 30 2.136 -10.165 1.133 1.00 0.00 C ATOM 370 O GLN A 30 2.387 -9.604 0.068 1.00 0.00 O ATOM 371 CB GLN A 30 2.519 -12.605 1.644 1.00 0.00 C ATOM 372 CG GLN A 30 3.819 -12.539 0.840 1.00 0.00 C ATOM 373 CD GLN A 30 4.957 -13.246 1.578 1.00 0.00 C ATOM 374 OE1 GLN A 30 4.975 -14.456 1.732 1.00 0.00 O ATOM 375 NE2 GLN A 30 5.903 -12.425 2.027 1.00 0.00 N ATOM 0 H GLN A 30 1.223 -11.220 -0.899 1.00 0.00 H new ATOM 0 HA GLN A 30 0.673 -11.558 1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.731 -12.436 2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.086 -13.602 1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.671 -13.002 -0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.088 -11.498 0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.827 -11.421 1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.705 -12.800 2.534 1.00 0.00 H new ATOM 382 N TYR A 31 2.366 -9.642 2.329 1.00 0.00 N ATOM 383 CA TYR A 31 2.953 -8.320 2.467 1.00 0.00 C ATOM 384 C TYR A 31 4.411 -8.412 2.921 1.00 0.00 C ATOM 385 O TYR A 31 4.738 -9.193 3.813 1.00 0.00 O ATOM 386 CB TYR A 31 2.138 -7.608 3.548 1.00 0.00 C ATOM 387 CG TYR A 31 0.625 -7.698 3.348 1.00 0.00 C ATOM 388 CD1 TYR A 31 -0.071 -8.787 3.833 1.00 0.00 C ATOM 389 CD2 TYR A 31 -0.046 -6.692 2.684 1.00 0.00 C ATOM 390 CE1 TYR A 31 -1.497 -8.872 3.645 1.00 0.00 C ATOM 391 CE2 TYR A 31 -1.471 -6.777 2.495 1.00 0.00 C ATOM 392 CZ TYR A 31 -2.126 -7.864 2.985 1.00 0.00 C ATOM 393 OH TYR A 31 -3.472 -7.944 2.807 1.00 0.00 O ATOM 0 H TYR A 31 2.156 -10.110 3.211 1.00 0.00 H new ATOM 0 HA TYR A 31 2.936 -7.791 1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.392 -8.034 4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.429 -6.558 3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.453 -9.575 4.353 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.498 -5.839 2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.054 -9.718 4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.007 -5.996 1.976 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.763 -8.873 2.923 1.00 0.00 H new ATOM 402 N THR A 32 5.248 -7.605 2.286 1.00 0.00 N ATOM 403 CA THR A 32 6.663 -7.586 2.613 1.00 0.00 C ATOM 404 C THR A 32 6.890 -6.893 3.959 1.00 0.00 C ATOM 405 O THR A 32 7.943 -7.053 4.574 1.00 0.00 O ATOM 406 CB THR A 32 7.408 -6.921 1.454 1.00 0.00 C ATOM 407 OG1 THR A 32 6.562 -5.838 1.074 1.00 0.00 O ATOM 408 CG2 THR A 32 7.462 -7.807 0.208 1.00 0.00 C ATOM 0 H THR A 32 4.973 -6.959 1.546 1.00 0.00 H new ATOM 0 HA THR A 32 7.055 -8.596 2.733 1.00 0.00 H new ATOM 0 HB THR A 32 8.422 -6.674 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.096 -5.021 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.001 -7.288 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.975 -8.739 0.446 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.448 -8.026 -0.127 1.00 0.00 H new ATOM 416 N VAL A 33 5.884 -6.137 4.375 1.00 0.00 N ATOM 417 CA VAL A 33 5.961 -5.419 5.636 1.00 0.00 C ATOM 418 C VAL A 33 5.088 -6.126 6.675 1.00 0.00 C ATOM 419 O VAL A 33 4.254 -6.960 6.325 1.00 0.00 O ATOM 420 CB VAL A 33 5.573 -3.953 5.428 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.349 -3.342 4.260 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.065 -3.810 5.220 1.00 0.00 C ATOM 0 H VAL A 33 5.012 -6.006 3.862 1.00 0.00 H new ATOM 0 HA VAL A 33 6.983 -5.421 6.014 1.00 0.00 H new ATOM 0 HB VAL A 33 5.840 -3.404 6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.055 -2.300 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.418 -3.395 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.128 -3.895 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.816 -2.759 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.763 -4.379 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.539 -4.190 6.096 1.00 0.00 H new ATOM 432 N GLU A 34 5.311 -5.767 7.931 1.00 0.00 N ATOM 433 CA GLU A 34 4.554 -6.357 9.023 1.00 0.00 C ATOM 434 C GLU A 34 3.459 -5.398 9.489 1.00 0.00 C ATOM 435 O GLU A 34 3.322 -4.298 8.954 1.00 0.00 O ATOM 436 CB GLU A 34 5.476 -6.743 10.181 1.00 0.00 C ATOM 437 CG GLU A 34 5.861 -8.222 10.107 1.00 0.00 C ATOM 438 CD GLU A 34 5.328 -8.989 11.319 1.00 0.00 C ATOM 439 OE1 GLU A 34 5.933 -8.831 12.402 1.00 0.00 O ATOM 440 OE2 GLU A 34 4.329 -9.716 11.135 1.00 0.00 O ATOM 0 H GLU A 34 6.004 -5.076 8.217 1.00 0.00 H new ATOM 0 HA GLU A 34 4.079 -7.269 8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.375 -6.128 10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.979 -6.540 11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.463 -8.660 9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.946 -8.317 10.060 1.00 0.00 H new ATOM 445 N ASP A 35 2.706 -5.847 10.483 1.00 0.00 N ATOM 446 CA ASP A 35 1.626 -5.042 11.028 1.00 0.00 C ATOM 447 C ASP A 35 2.137 -3.624 11.292 1.00 0.00 C ATOM 448 O ASP A 35 3.112 -3.436 12.018 1.00 0.00 O ATOM 449 CB ASP A 35 1.124 -5.617 12.353 1.00 0.00 C ATOM 450 CG ASP A 35 -0.398 -5.673 12.498 1.00 0.00 C ATOM 451 OD1 ASP A 35 -1.024 -6.347 11.652 1.00 0.00 O ATOM 452 OD2 ASP A 35 -0.900 -5.041 13.452 1.00 0.00 O ATOM 0 H ASP A 35 2.823 -6.759 10.925 1.00 0.00 H new ATOM 0 HA ASP A 35 0.810 -5.038 10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.522 -6.625 12.468 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.530 -5.019 13.169 1.00 0.00 H new ATOM 456 N GLY A 36 1.455 -2.661 10.688 1.00 0.00 N ATOM 457 CA GLY A 36 1.828 -1.265 10.849 1.00 0.00 C ATOM 458 C GLY A 36 3.164 -0.973 10.164 1.00 0.00 C ATOM 459 O GLY A 36 3.883 -0.058 10.563 1.00 0.00 O ATOM 0 H GLY A 36 0.647 -2.820 10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.052 -0.626 10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.898 -1.023 11.910 1.00 0.00 H new ATOM 463 N GLY A 37 3.456 -1.766 9.143 1.00 0.00 N ATOM 464 CA GLY A 37 4.693 -1.603 8.398 1.00 0.00 C ATOM 465 C GLY A 37 4.876 -0.151 7.950 1.00 0.00 C ATOM 466 O GLY A 37 3.927 0.487 7.496 1.00 0.00 O ATOM 0 H GLY A 37 2.857 -2.523 8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.537 -1.905 9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.686 -2.258 7.527 1.00 0.00 H new ATOM 470 N HIS A 38 6.102 0.329 8.094 1.00 0.00 N ATOM 471 CA HIS A 38 6.422 1.694 7.710 1.00 0.00 C ATOM 472 C HIS A 38 7.340 1.680 6.487 1.00 0.00 C ATOM 473 O HIS A 38 8.513 1.323 6.590 1.00 0.00 O ATOM 474 CB HIS A 38 7.016 2.465 8.890 1.00 0.00 C ATOM 475 CG HIS A 38 6.542 3.896 8.989 1.00 0.00 C ATOM 476 ND1 HIS A 38 7.257 4.878 9.652 1.00 0.00 N ATOM 477 CD2 HIS A 38 5.419 4.498 8.504 1.00 0.00 C ATOM 478 CE1 HIS A 38 6.585 6.016 9.562 1.00 0.00 C ATOM 479 NE2 HIS A 38 5.446 5.779 8.851 1.00 0.00 N ATOM 0 H HIS A 38 6.886 -0.203 8.471 1.00 0.00 H new ATOM 0 HA HIS A 38 5.510 2.221 7.430 1.00 0.00 H new ATOM 0 HB2 HIS A 38 6.765 1.945 9.814 1.00 0.00 H new ATOM 0 HB3 HIS A 38 8.103 2.458 8.806 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.149 4.748 10.129 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.639 4.015 7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.887 6.966 9.979 1.00 0.00 H new ATOM 486 N VAL A 39 6.773 2.075 5.356 1.00 0.00 N ATOM 487 CA VAL A 39 7.527 2.112 4.114 1.00 0.00 C ATOM 488 C VAL A 39 7.598 3.555 3.610 1.00 0.00 C ATOM 489 O VAL A 39 7.107 4.471 4.268 1.00 0.00 O ATOM 490 CB VAL A 39 6.905 1.154 3.096 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.153 -0.303 3.493 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.412 1.428 2.924 1.00 0.00 C ATOM 0 H VAL A 39 5.801 2.372 5.274 1.00 0.00 H new ATOM 0 HA VAL A 39 8.550 1.773 4.277 1.00 0.00 H new ATOM 0 HB VAL A 39 7.389 1.327 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.701 -0.964 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.226 -0.490 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.709 -0.495 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.996 0.733 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.906 1.297 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.268 2.450 2.574 1.00 0.00 H new ATOM 502 N GLU A 40 8.213 3.712 2.447 1.00 0.00 N ATOM 503 CA GLU A 40 8.356 5.028 1.848 1.00 0.00 C ATOM 504 C GLU A 40 7.633 5.078 0.500 1.00 0.00 C ATOM 505 O GLU A 40 7.432 4.046 -0.140 1.00 0.00 O ATOM 506 CB GLU A 40 9.831 5.404 1.693 1.00 0.00 C ATOM 507 CG GLU A 40 10.443 5.787 3.042 1.00 0.00 C ATOM 508 CD GLU A 40 11.605 6.766 2.858 1.00 0.00 C ATOM 509 OE1 GLU A 40 11.366 7.819 2.229 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.706 6.438 3.350 1.00 0.00 O ATOM 0 H GLU A 40 8.618 2.950 1.904 1.00 0.00 H new ATOM 0 HA GLU A 40 7.897 5.760 2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.381 4.566 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.927 6.237 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.680 6.238 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.795 4.891 3.553 1.00 0.00 H new ATOM 515 N ALA A 41 7.262 6.288 0.108 1.00 0.00 N ATOM 516 CA ALA A 41 6.566 6.486 -1.153 1.00 0.00 C ATOM 517 C ALA A 41 7.462 6.021 -2.303 1.00 0.00 C ATOM 518 O ALA A 41 8.374 6.738 -2.713 1.00 0.00 O ATOM 519 CB ALA A 41 6.161 7.955 -1.286 1.00 0.00 C ATOM 0 H ALA A 41 7.430 7.141 0.641 1.00 0.00 H new ATOM 0 HA ALA A 41 5.653 5.892 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.639 8.104 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.503 8.227 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.052 8.582 -1.261 1.00 0.00 H new ATOM 525 N GLY A 42 7.170 4.825 -2.791 1.00 0.00 N ATOM 526 CA GLY A 42 7.937 4.257 -3.887 1.00 0.00 C ATOM 527 C GLY A 42 8.443 2.857 -3.533 1.00 0.00 C ATOM 528 O GLY A 42 8.798 2.080 -4.417 1.00 0.00 O ATOM 0 H GLY A 42 6.413 4.233 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.317 4.208 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.782 4.905 -4.119 1.00 0.00 H new ATOM 532 N SER A 43 8.461 2.579 -2.237 1.00 0.00 N ATOM 533 CA SER A 43 8.919 1.287 -1.755 1.00 0.00 C ATOM 534 C SER A 43 7.849 0.224 -2.013 1.00 0.00 C ATOM 535 O SER A 43 6.818 0.509 -2.621 1.00 0.00 O ATOM 536 CB SER A 43 9.262 1.344 -0.266 1.00 0.00 C ATOM 537 OG SER A 43 10.561 1.884 -0.038 1.00 0.00 O ATOM 0 H SER A 43 8.166 3.227 -1.506 1.00 0.00 H new ATOM 0 HA SER A 43 9.826 1.021 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.521 1.951 0.254 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.207 0.341 0.157 1.00 0.00 H new ATOM 0 HG SER A 43 10.742 1.905 0.925 1.00 0.00 H new ATOM 542 N SER A 44 8.130 -0.981 -1.538 1.00 0.00 N ATOM 543 CA SER A 44 7.204 -2.087 -1.709 1.00 0.00 C ATOM 544 C SER A 44 6.753 -2.607 -0.343 1.00 0.00 C ATOM 545 O SER A 44 7.578 -2.849 0.537 1.00 0.00 O ATOM 546 CB SER A 44 7.840 -3.216 -2.523 1.00 0.00 C ATOM 547 OG SER A 44 9.161 -3.515 -2.080 1.00 0.00 O ATOM 0 H SER A 44 8.986 -1.215 -1.035 1.00 0.00 H new ATOM 0 HA SER A 44 6.335 -1.724 -2.258 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.221 -4.110 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.866 -2.934 -3.576 1.00 0.00 H new ATOM 0 HG SER A 44 9.194 -3.476 -1.101 1.00 0.00 H new ATOM 552 N TYR A 45 5.444 -2.765 -0.208 1.00 0.00 N ATOM 553 CA TYR A 45 4.872 -3.253 1.036 1.00 0.00 C ATOM 554 C TYR A 45 4.163 -4.592 0.826 1.00 0.00 C ATOM 555 O TYR A 45 3.826 -5.277 1.789 1.00 0.00 O ATOM 556 CB TYR A 45 3.843 -2.206 1.465 1.00 0.00 C ATOM 557 CG TYR A 45 2.507 -2.309 0.727 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.646 -3.351 0.999 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.163 -1.357 -0.212 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.387 -3.447 0.305 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.905 -1.452 -0.907 1.00 0.00 C ATOM 562 CZ TYR A 45 0.080 -2.493 -0.614 1.00 0.00 C ATOM 563 OH TYR A 45 -1.108 -2.583 -1.270 1.00 0.00 O ATOM 0 H TYR A 45 4.763 -2.564 -0.940 1.00 0.00 H new ATOM 0 HA TYR A 45 5.651 -3.405 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.664 -2.305 2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.261 -1.213 1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.916 -4.096 1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.837 -0.541 -0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.297 -4.258 0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.623 -0.714 -1.643 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.194 -1.834 -1.896 1.00 0.00 H new ATOM 572 N ALA A 46 3.960 -4.926 -0.440 1.00 0.00 N ATOM 573 CA ALA A 46 3.297 -6.170 -0.789 1.00 0.00 C ATOM 574 C ALA A 46 3.539 -6.475 -2.269 1.00 0.00 C ATOM 575 O ALA A 46 4.278 -5.758 -2.941 1.00 0.00 O ATOM 576 CB ALA A 46 1.808 -6.069 -0.451 1.00 0.00 C ATOM 0 H ALA A 46 4.243 -4.356 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 46 3.707 -6.998 -0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.311 -7.003 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.689 -5.882 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.362 -5.250 -1.015 1.00 0.00 H new ATOM 582 N GLU A 47 2.904 -7.542 -2.732 1.00 0.00 N ATOM 583 CA GLU A 47 3.041 -7.951 -4.119 1.00 0.00 C ATOM 584 C GLU A 47 1.724 -8.534 -4.634 1.00 0.00 C ATOM 585 O GLU A 47 0.754 -8.643 -3.885 1.00 0.00 O ATOM 586 CB GLU A 47 4.186 -8.951 -4.285 1.00 0.00 C ATOM 587 CG GLU A 47 5.487 -8.398 -3.700 1.00 0.00 C ATOM 588 CD GLU A 47 6.705 -9.078 -4.329 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.482 -9.954 -5.191 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.830 -8.706 -3.932 1.00 0.00 O ATOM 0 H GLU A 47 2.293 -8.136 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 47 3.282 -7.071 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.930 -9.888 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.326 -9.177 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.538 -7.323 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.498 -8.550 -2.621 1.00 0.00 H new ATOM 595 N MET A 48 1.731 -8.895 -5.909 1.00 0.00 N ATOM 596 CA MET A 48 0.549 -9.465 -6.532 1.00 0.00 C ATOM 597 C MET A 48 0.928 -10.339 -7.730 1.00 0.00 C ATOM 598 O MET A 48 2.029 -10.220 -8.266 1.00 0.00 O ATOM 599 CB MET A 48 -0.378 -8.339 -6.994 1.00 0.00 C ATOM 600 CG MET A 48 0.299 -7.474 -8.060 1.00 0.00 C ATOM 601 SD MET A 48 -0.446 -5.853 -8.093 1.00 0.00 S ATOM 602 CE MET A 48 -2.104 -6.283 -8.593 1.00 0.00 C ATOM 0 H MET A 48 2.537 -8.804 -6.527 1.00 0.00 H new ATOM 0 HA MET A 48 0.039 -10.089 -5.798 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.299 -8.763 -7.395 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.657 -7.720 -6.141 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.365 -7.389 -7.848 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.205 -7.947 -9.038 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.709 -5.379 -8.663 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.075 -6.776 -9.564 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.543 -6.957 -7.857 1.00 0.00 H new ATOM 610 N GLU A 49 -0.006 -11.198 -8.113 1.00 0.00 N ATOM 611 CA GLU A 49 0.217 -12.091 -9.237 1.00 0.00 C ATOM 612 C GLU A 49 -0.845 -11.863 -10.315 1.00 0.00 C ATOM 613 O GLU A 49 -1.947 -12.403 -10.231 1.00 0.00 O ATOM 614 CB GLU A 49 0.230 -13.553 -8.782 1.00 0.00 C ATOM 615 CG GLU A 49 0.269 -14.500 -9.983 1.00 0.00 C ATOM 616 CD GLU A 49 0.493 -15.945 -9.533 1.00 0.00 C ATOM 617 OE1 GLU A 49 -0.132 -16.328 -8.521 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.284 -16.635 -10.212 1.00 0.00 O ATOM 0 H GLU A 49 -0.917 -11.294 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 49 1.195 -11.868 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.096 -13.732 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.656 -13.758 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.667 -14.429 -10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.066 -14.199 -10.663 1.00 0.00 H new ATOM 623 N VAL A 50 -0.475 -11.062 -11.304 1.00 0.00 N ATOM 624 CA VAL A 50 -1.382 -10.755 -12.397 1.00 0.00 C ATOM 625 C VAL A 50 -0.812 -11.320 -13.700 1.00 0.00 C ATOM 626 O VAL A 50 0.397 -11.288 -13.918 1.00 0.00 O ATOM 627 CB VAL A 50 -1.636 -9.247 -12.458 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.318 -8.472 -12.530 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.545 -8.892 -13.636 1.00 0.00 C ATOM 0 H VAL A 50 0.440 -10.617 -11.371 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.351 -11.227 -12.235 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.147 -8.955 -11.540 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.526 -7.403 -12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.281 -8.690 -11.646 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.231 -8.770 -13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.710 -7.815 -13.657 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.073 -9.205 -14.567 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.501 -9.403 -13.525 1.00 0.00 H new ATOM 639 N MET A 51 -1.712 -11.823 -14.533 1.00 0.00 N ATOM 640 CA MET A 51 -1.314 -12.392 -15.808 1.00 0.00 C ATOM 641 C MET A 51 -0.239 -13.464 -15.619 1.00 0.00 C ATOM 642 O MET A 51 0.665 -13.595 -16.442 1.00 0.00 O ATOM 643 CB MET A 51 -0.776 -11.286 -16.717 1.00 0.00 C ATOM 644 CG MET A 51 -1.911 -10.615 -17.495 1.00 0.00 C ATOM 645 SD MET A 51 -1.901 -11.175 -19.191 1.00 0.00 S ATOM 646 CE MET A 51 -2.657 -9.766 -19.985 1.00 0.00 C ATOM 0 H MET A 51 -2.715 -11.848 -14.349 1.00 0.00 H new ATOM 0 HA MET A 51 -2.188 -12.856 -16.264 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.251 -10.542 -16.118 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.050 -11.704 -17.414 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.869 -10.849 -17.031 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.796 -9.532 -17.460 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.729 -9.948 -21.057 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.655 -9.610 -19.576 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.049 -8.879 -19.808 1.00 0.00 H new ATOM 654 N LYS A 52 -0.373 -14.205 -14.527 1.00 0.00 N ATOM 655 CA LYS A 52 0.576 -15.261 -14.219 1.00 0.00 C ATOM 656 C LYS A 52 1.943 -14.642 -13.922 1.00 0.00 C ATOM 657 O LYS A 52 2.949 -15.348 -13.866 1.00 0.00 O ATOM 658 CB LYS A 52 0.602 -16.302 -15.339 1.00 0.00 C ATOM 659 CG LYS A 52 -0.410 -17.419 -15.074 1.00 0.00 C ATOM 660 CD LYS A 52 0.297 -18.716 -14.678 1.00 0.00 C ATOM 661 CE LYS A 52 0.494 -19.628 -15.891 1.00 0.00 C ATOM 662 NZ LYS A 52 -0.358 -20.832 -15.778 1.00 0.00 N ATOM 0 H LYS A 52 -1.124 -14.094 -13.846 1.00 0.00 H new ATOM 0 HA LYS A 52 0.268 -15.800 -13.323 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.378 -15.822 -16.292 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.603 -16.726 -15.423 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.092 -17.116 -14.280 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.013 -17.587 -15.966 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.264 -18.485 -14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.288 -19.236 -13.919 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.249 -19.086 -16.804 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.541 -19.922 -15.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.212 -21.440 -16.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.105 -21.357 -14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.357 -20.547 -15.729 1.00 0.00 H new ATOM 672 N MET A 53 1.936 -13.330 -13.739 1.00 0.00 N ATOM 673 CA MET A 53 3.163 -12.608 -13.450 1.00 0.00 C ATOM 674 C MET A 53 3.113 -11.978 -12.056 1.00 0.00 C ATOM 675 O MET A 53 2.077 -11.462 -11.641 1.00 0.00 O ATOM 676 CB MET A 53 3.370 -11.512 -14.498 1.00 0.00 C ATOM 677 CG MET A 53 3.370 -12.098 -15.911 1.00 0.00 C ATOM 678 SD MET A 53 4.953 -11.819 -16.687 1.00 0.00 S ATOM 679 CE MET A 53 4.465 -11.848 -18.405 1.00 0.00 C ATOM 0 H MET A 53 1.100 -12.748 -13.785 1.00 0.00 H new ATOM 0 HA MET A 53 3.993 -13.314 -13.480 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.580 -10.766 -14.410 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.314 -11.000 -14.313 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.159 -13.167 -15.870 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.579 -11.639 -16.504 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.340 -11.688 -19.035 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.020 -12.815 -18.641 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.736 -11.059 -18.590 1.00 0.00 H new ATOM 687 N ILE A 54 4.246 -12.044 -11.372 1.00 0.00 N ATOM 688 CA ILE A 54 4.344 -11.487 -10.033 1.00 0.00 C ATOM 689 C ILE A 54 4.766 -10.018 -10.126 1.00 0.00 C ATOM 690 O ILE A 54 5.765 -9.695 -10.767 1.00 0.00 O ATOM 691 CB ILE A 54 5.273 -12.340 -9.165 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.856 -13.812 -9.200 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.340 -11.796 -7.736 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.410 -13.983 -8.731 1.00 0.00 C ATOM 0 H ILE A 54 5.103 -12.474 -11.719 1.00 0.00 H new ATOM 0 HA ILE A 54 3.373 -11.510 -9.538 1.00 0.00 H new ATOM 0 HB ILE A 54 6.279 -12.281 -9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.962 -14.200 -10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.520 -14.397 -8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.006 -12.420 -7.140 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.718 -10.774 -7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.343 -11.806 -7.296 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.139 -15.038 -8.765 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.313 -13.617 -7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.746 -13.416 -9.384 1.00 0.00 H new ATOM 705 N MET A 55 3.984 -9.170 -9.476 1.00 0.00 N ATOM 706 CA MET A 55 4.264 -7.744 -9.477 1.00 0.00 C ATOM 707 C MET A 55 4.325 -7.196 -8.049 1.00 0.00 C ATOM 708 O MET A 55 3.538 -7.596 -7.193 1.00 0.00 O ATOM 709 CB MET A 55 3.173 -7.010 -10.259 1.00 0.00 C ATOM 710 CG MET A 55 3.422 -5.500 -10.263 1.00 0.00 C ATOM 711 SD MET A 55 2.982 -4.813 -11.850 1.00 0.00 S ATOM 712 CE MET A 55 4.608 -4.461 -12.497 1.00 0.00 C ATOM 0 H MET A 55 3.157 -9.442 -8.945 1.00 0.00 H new ATOM 0 HA MET A 55 5.233 -7.583 -9.950 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.144 -7.380 -11.284 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.199 -7.220 -9.816 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.836 -5.024 -9.477 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.471 -5.295 -10.047 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.517 -4.023 -13.491 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.118 -3.760 -11.837 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.183 -5.385 -12.559 1.00 0.00 H new ATOM 720 N THR A 56 5.267 -6.289 -7.837 1.00 0.00 N ATOM 721 CA THR A 56 5.441 -5.682 -6.529 1.00 0.00 C ATOM 722 C THR A 56 4.395 -4.588 -6.305 1.00 0.00 C ATOM 723 O THR A 56 3.975 -3.923 -7.251 1.00 0.00 O ATOM 724 CB THR A 56 6.880 -5.175 -6.430 1.00 0.00 C ATOM 725 OG1 THR A 56 7.625 -6.086 -7.234 1.00 0.00 O ATOM 726 CG2 THR A 56 7.468 -5.349 -5.028 1.00 0.00 C ATOM 0 H THR A 56 5.918 -5.960 -8.550 1.00 0.00 H new ATOM 0 HA THR A 56 5.282 -6.409 -5.732 1.00 0.00 H new ATOM 0 HB THR A 56 6.913 -4.122 -6.709 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.571 -5.830 -7.227 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.491 -4.973 -5.013 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.866 -4.792 -4.309 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.466 -6.406 -4.761 1.00 0.00 H new ATOM 734 N LEU A 57 4.003 -4.436 -5.048 1.00 0.00 N ATOM 735 CA LEU A 57 3.015 -3.434 -4.687 1.00 0.00 C ATOM 736 C LEU A 57 3.677 -2.356 -3.828 1.00 0.00 C ATOM 737 O LEU A 57 4.166 -2.642 -2.736 1.00 0.00 O ATOM 738 CB LEU A 57 1.803 -4.092 -4.024 1.00 0.00 C ATOM 739 CG LEU A 57 0.625 -4.413 -4.946 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.272 -5.491 -4.336 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.158 -3.145 -5.296 1.00 0.00 C ATOM 0 H LEU A 57 4.352 -4.991 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 57 2.632 -2.938 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.131 -5.018 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.448 -3.436 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 57 1.021 -4.815 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.101 -5.700 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.307 -6.401 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.662 -5.142 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.990 -3.401 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.543 -2.691 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.500 -2.439 -5.803 1.00 0.00 H new ATOM 752 N ASN A 58 3.672 -1.140 -4.353 1.00 0.00 N ATOM 753 CA ASN A 58 4.266 -0.018 -3.647 1.00 0.00 C ATOM 754 C ASN A 58 3.155 0.887 -3.109 1.00 0.00 C ATOM 755 O ASN A 58 1.997 0.751 -3.497 1.00 0.00 O ATOM 756 CB ASN A 58 5.145 0.817 -4.580 1.00 0.00 C ATOM 757 CG ASN A 58 4.471 1.010 -5.940 1.00 0.00 C ATOM 758 OD1 ASN A 58 3.263 1.143 -6.050 1.00 0.00 O ATOM 759 ND2 ASN A 58 5.317 1.019 -6.966 1.00 0.00 N ATOM 0 H ASN A 58 3.266 -0.907 -5.259 1.00 0.00 H new ATOM 0 HA ASN A 58 4.876 -0.415 -2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.343 1.788 -4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.109 0.326 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.966 1.143 -7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.317 0.902 -6.803 1.00 0.00 H new ATOM 765 N VAL A 59 3.548 1.789 -2.222 1.00 0.00 N ATOM 766 CA VAL A 59 2.601 2.716 -1.626 1.00 0.00 C ATOM 767 C VAL A 59 2.529 3.983 -2.479 1.00 0.00 C ATOM 768 O VAL A 59 3.549 4.466 -2.967 1.00 0.00 O ATOM 769 CB VAL A 59 2.985 2.994 -0.171 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.054 1.696 0.636 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.305 3.762 -0.091 1.00 0.00 C ATOM 0 H VAL A 59 4.510 1.898 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 59 1.602 2.281 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 59 2.207 3.619 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.329 1.922 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.081 1.205 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.802 1.035 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.556 3.947 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.097 3.174 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.205 4.713 -0.614 1.00 0.00 H new ATOM 781 N GLN A 60 1.313 4.487 -2.632 1.00 0.00 N ATOM 782 CA GLN A 60 1.094 5.690 -3.418 1.00 0.00 C ATOM 783 C GLN A 60 1.702 6.903 -2.710 1.00 0.00 C ATOM 784 O GLN A 60 2.053 7.890 -3.355 1.00 0.00 O ATOM 785 CB GLN A 60 -0.396 5.903 -3.691 1.00 0.00 C ATOM 786 CG GLN A 60 -0.712 5.726 -5.177 1.00 0.00 C ATOM 787 CD GLN A 60 -2.218 5.573 -5.403 1.00 0.00 C ATOM 788 OE1 GLN A 60 -3.018 5.631 -4.485 1.00 0.00 O ATOM 789 NE2 GLN A 60 -2.556 5.375 -6.674 1.00 0.00 N ATOM 0 H GLN A 60 0.469 4.084 -2.225 1.00 0.00 H new ATOM 0 HA GLN A 60 1.591 5.568 -4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.982 5.195 -3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.689 6.903 -3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.342 6.586 -5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.192 4.848 -5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.834 5.337 -7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.537 5.261 -6.929 1.00 0.00 H new ATOM 796 N GLU A 61 1.807 6.790 -1.395 1.00 0.00 N ATOM 797 CA GLU A 61 2.366 7.865 -0.593 1.00 0.00 C ATOM 798 C GLU A 61 2.813 7.334 0.770 1.00 0.00 C ATOM 799 O GLU A 61 2.121 6.520 1.381 1.00 0.00 O ATOM 800 CB GLU A 61 1.362 9.009 -0.434 1.00 0.00 C ATOM 801 CG GLU A 61 1.131 9.724 -1.767 1.00 0.00 C ATOM 802 CD GLU A 61 0.522 11.110 -1.547 1.00 0.00 C ATOM 803 OE1 GLU A 61 1.264 11.982 -1.046 1.00 0.00 O ATOM 804 OE2 GLU A 61 -0.671 11.266 -1.884 1.00 0.00 O ATOM 0 H GLU A 61 1.514 5.970 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 61 3.240 8.261 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.416 8.618 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.730 9.720 0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.076 9.819 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.469 9.127 -2.394 1.00 0.00 H new ATOM 809 N ARG A 62 3.966 7.816 1.208 1.00 0.00 N ATOM 810 CA ARG A 62 4.514 7.399 2.489 1.00 0.00 C ATOM 811 C ARG A 62 3.389 7.202 3.507 1.00 0.00 C ATOM 812 O ARG A 62 2.380 7.903 3.466 1.00 0.00 O ATOM 813 CB ARG A 62 5.504 8.434 3.027 1.00 0.00 C ATOM 814 CG ARG A 62 4.789 9.734 3.400 1.00 0.00 C ATOM 815 CD ARG A 62 5.430 10.933 2.697 1.00 0.00 C ATOM 816 NE ARG A 62 6.549 11.458 3.511 1.00 0.00 N ATOM 817 CZ ARG A 62 6.392 12.217 4.604 1.00 0.00 C ATOM 818 NH1 ARG A 62 5.162 12.543 5.022 1.00 0.00 N ATOM 819 NH2 ARG A 62 7.465 12.648 5.281 1.00 0.00 N ATOM 0 H ARG A 62 4.537 8.491 0.699 1.00 0.00 H new ATOM 0 HA ARG A 62 5.039 6.456 2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.016 8.033 3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.267 8.637 2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.737 9.666 3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.827 9.878 4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.793 10.637 1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.686 11.714 2.540 1.00 0.00 H new ATOM 0 HE ARG A 62 7.500 11.228 3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.345 12.213 4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.043 13.121 5.854 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.402 12.398 4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.345 13.226 6.113 1.00 0.00 H new ATOM 830 N GLY A 63 3.601 6.243 4.397 1.00 0.00 N ATOM 831 CA GLY A 63 2.618 5.944 5.424 1.00 0.00 C ATOM 832 C GLY A 63 2.856 4.556 6.023 1.00 0.00 C ATOM 833 O GLY A 63 3.925 3.975 5.846 1.00 0.00 O ATOM 0 H GLY A 63 4.440 5.663 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.668 6.697 6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.616 5.993 4.999 1.00 0.00 H new ATOM 837 N ARG A 64 1.841 4.067 6.721 1.00 0.00 N ATOM 838 CA ARG A 64 1.927 2.758 7.347 1.00 0.00 C ATOM 839 C ARG A 64 0.952 1.786 6.678 1.00 0.00 C ATOM 840 O ARG A 64 -0.250 2.038 6.634 1.00 0.00 O ATOM 841 CB ARG A 64 1.608 2.842 8.841 1.00 0.00 C ATOM 842 CG ARG A 64 2.888 2.790 9.678 1.00 0.00 C ATOM 843 CD ARG A 64 2.594 2.311 11.102 1.00 0.00 C ATOM 844 NE ARG A 64 1.919 3.383 11.866 1.00 0.00 N ATOM 845 CZ ARG A 64 2.527 4.499 12.292 1.00 0.00 C ATOM 846 NH1 ARG A 64 3.826 4.696 12.030 1.00 0.00 N ATOM 847 NH2 ARG A 64 1.835 5.418 12.979 1.00 0.00 N ATOM 0 H ARG A 64 0.956 4.553 6.867 1.00 0.00 H new ATOM 0 HA ARG A 64 2.948 2.396 7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.070 3.766 9.050 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.951 2.019 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.608 2.121 9.207 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.346 3.779 9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.964 1.422 11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.522 2.028 11.599 1.00 0.00 H new ATOM 0 HE ARG A 64 0.929 3.266 12.082 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.352 3.997 11.506 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.289 5.545 12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.846 5.268 13.178 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.297 6.267 13.303 1.00 0.00 H new ATOM 858 N VAL A 65 1.510 0.694 6.175 1.00 0.00 N ATOM 859 CA VAL A 65 0.705 -0.318 5.511 1.00 0.00 C ATOM 860 C VAL A 65 0.141 -1.281 6.556 1.00 0.00 C ATOM 861 O VAL A 65 0.874 -1.775 7.411 1.00 0.00 O ATOM 862 CB VAL A 65 1.535 -1.022 4.434 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.752 -2.178 3.808 1.00 0.00 C ATOM 864 CG2 VAL A 65 1.999 -0.031 3.365 1.00 0.00 C ATOM 0 H VAL A 65 2.508 0.488 6.214 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.142 0.141 5.002 1.00 0.00 H new ATOM 0 HB VAL A 65 2.422 -1.438 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.364 -2.661 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.494 -2.903 4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.160 -1.794 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.586 -0.557 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.130 0.428 2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.611 0.743 3.828 1.00 0.00 H new ATOM 874 N LYS A 66 -1.158 -1.520 6.453 1.00 0.00 N ATOM 875 CA LYS A 66 -1.830 -2.417 7.380 1.00 0.00 C ATOM 876 C LYS A 66 -2.507 -3.542 6.593 1.00 0.00 C ATOM 877 O LYS A 66 -2.715 -3.423 5.387 1.00 0.00 O ATOM 878 CB LYS A 66 -2.787 -1.636 8.282 1.00 0.00 C ATOM 879 CG LYS A 66 -3.080 -2.409 9.570 1.00 0.00 C ATOM 880 CD LYS A 66 -2.939 -1.504 10.796 1.00 0.00 C ATOM 881 CE LYS A 66 -4.255 -0.786 11.100 1.00 0.00 C ATOM 882 NZ LYS A 66 -4.071 0.682 11.034 1.00 0.00 N ATOM 0 H LYS A 66 -1.763 -1.109 5.743 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.108 -2.885 8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.353 -0.667 8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.718 -1.443 7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.089 -2.820 9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.396 -3.253 9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.637 -2.098 11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.152 -0.770 10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.018 -1.095 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.611 -1.070 12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.767 1.147 11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.111 0.926 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.206 1.005 10.055 1.00 0.00 H new ATOM 892 N TYR A 67 -2.829 -4.609 7.309 1.00 0.00 N ATOM 893 CA TYR A 67 -3.478 -5.755 6.694 1.00 0.00 C ATOM 894 C TYR A 67 -4.994 -5.560 6.635 1.00 0.00 C ATOM 895 O TYR A 67 -5.638 -5.357 7.663 1.00 0.00 O ATOM 896 CB TYR A 67 -3.164 -6.951 7.594 1.00 0.00 C ATOM 897 CG TYR A 67 -4.319 -7.945 7.733 1.00 0.00 C ATOM 898 CD1 TYR A 67 -4.703 -8.710 6.649 1.00 0.00 C ATOM 899 CD2 TYR A 67 -4.973 -8.079 8.939 1.00 0.00 C ATOM 900 CE1 TYR A 67 -5.790 -9.646 6.779 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.060 -9.016 9.069 1.00 0.00 C ATOM 902 CZ TYR A 67 -6.414 -9.753 7.983 1.00 0.00 C ATOM 903 OH TYR A 67 -7.440 -10.638 8.106 1.00 0.00 O ATOM 0 H TYR A 67 -2.653 -4.704 8.309 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.122 -5.895 5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.294 -7.474 7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.891 -6.586 8.584 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.189 -8.606 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.671 -7.482 9.786 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.103 -10.249 5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.582 -9.130 10.008 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.790 -10.608 9.021 1.00 0.00 H new ATOM 912 N ILE A 68 -5.521 -5.628 5.422 1.00 0.00 N ATOM 913 CA ILE A 68 -6.949 -5.462 5.215 1.00 0.00 C ATOM 914 C ILE A 68 -7.525 -6.744 4.609 1.00 0.00 C ATOM 915 O ILE A 68 -8.163 -7.532 5.306 1.00 0.00 O ATOM 916 CB ILE A 68 -7.228 -4.209 4.382 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.658 -2.962 5.061 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.723 -4.068 4.086 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.077 -2.898 6.531 1.00 0.00 C ATOM 0 H ILE A 68 -4.984 -5.796 4.571 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.456 -5.303 6.167 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.719 -4.316 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.570 -2.970 4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.006 -2.069 4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.893 -3.170 3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.068 -4.940 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.274 -3.994 5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.659 -2.002 6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.164 -2.866 6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.707 -3.780 7.054 1.00 0.00 H new ATOM 930 N LYS A 69 -7.280 -6.913 3.318 1.00 0.00 N ATOM 931 CA LYS A 69 -7.766 -8.085 2.611 1.00 0.00 C ATOM 932 C LYS A 69 -6.799 -9.249 2.836 1.00 0.00 C ATOM 933 O LYS A 69 -5.585 -9.080 2.735 1.00 0.00 O ATOM 934 CB LYS A 69 -8.003 -7.760 1.134 1.00 0.00 C ATOM 935 CG LYS A 69 -8.752 -6.435 0.979 1.00 0.00 C ATOM 936 CD LYS A 69 -10.253 -6.622 1.209 1.00 0.00 C ATOM 937 CE LYS A 69 -10.971 -6.954 -0.101 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.308 -7.526 0.172 1.00 0.00 N ATOM 0 H LYS A 69 -6.751 -6.257 2.743 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.734 -8.393 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.048 -7.705 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.575 -8.562 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.360 -5.707 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.581 -6.031 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.417 -7.422 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.675 -5.713 1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.071 -6.053 -0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.377 -7.662 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.782 -7.746 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.205 -8.397 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.878 -6.838 0.704 1.00 0.00 H new ATOM 948 N ARG A 70 -7.374 -10.404 3.138 1.00 0.00 N ATOM 949 CA ARG A 70 -6.577 -11.595 3.379 1.00 0.00 C ATOM 950 C ARG A 70 -5.650 -11.863 2.192 1.00 0.00 C ATOM 951 O ARG A 70 -5.960 -11.492 1.061 1.00 0.00 O ATOM 952 CB ARG A 70 -7.470 -12.818 3.606 1.00 0.00 C ATOM 953 CG ARG A 70 -8.424 -12.589 4.780 1.00 0.00 C ATOM 954 CD ARG A 70 -8.356 -13.750 5.775 1.00 0.00 C ATOM 955 NE ARG A 70 -9.092 -14.917 5.242 1.00 0.00 N ATOM 956 CZ ARG A 70 -9.085 -16.132 5.808 1.00 0.00 C ATOM 957 NH1 ARG A 70 -8.381 -16.346 6.927 1.00 0.00 N ATOM 958 NH2 ARG A 70 -9.783 -17.133 5.253 1.00 0.00 N ATOM 0 H ARG A 70 -8.381 -10.540 3.221 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.983 -11.421 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.043 -13.027 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.851 -13.694 3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.169 -11.657 5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.443 -12.482 4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.316 -14.020 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.783 -13.446 6.731 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.639 -14.789 4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.850 -15.584 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.376 -17.271 7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.319 -16.970 4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.778 -18.058 5.683 1.00 0.00 H new ATOM 969 N PRO A 71 -4.500 -12.523 2.498 1.00 0.00 N ATOM 970 CA PRO A 71 -3.526 -12.845 1.469 1.00 0.00 C ATOM 971 C PRO A 71 -4.006 -14.011 0.605 1.00 0.00 C ATOM 972 O PRO A 71 -4.480 -15.021 1.126 1.00 0.00 O ATOM 973 CB PRO A 71 -2.243 -13.153 2.226 1.00 0.00 C ATOM 974 CG PRO A 71 -2.664 -13.446 3.656 1.00 0.00 C ATOM 975 CD PRO A 71 -4.100 -12.978 3.826 1.00 0.00 C ATOM 0 HA PRO A 71 -3.371 -12.028 0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.726 -14.007 1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.554 -12.309 2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.583 -14.512 3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.009 -12.931 4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.741 -13.786 4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.171 -12.174 4.558 1.00 0.00 H new ATOM 980 N GLY A 72 -3.866 -13.835 -0.701 1.00 0.00 N ATOM 981 CA GLY A 72 -4.280 -14.862 -1.642 1.00 0.00 C ATOM 982 C GLY A 72 -5.675 -14.567 -2.198 1.00 0.00 C ATOM 983 O GLY A 72 -6.363 -15.471 -2.668 1.00 0.00 O ATOM 0 H GLY A 72 -3.472 -12.997 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.563 -14.920 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.279 -15.834 -1.148 1.00 0.00 H new ATOM 987 N ALA A 73 -6.049 -13.299 -2.126 1.00 0.00 N ATOM 988 CA ALA A 73 -7.349 -12.872 -2.615 1.00 0.00 C ATOM 989 C ALA A 73 -7.250 -12.568 -4.111 1.00 0.00 C ATOM 990 O ALA A 73 -6.169 -12.637 -4.693 1.00 0.00 O ATOM 991 CB ALA A 73 -7.829 -11.667 -1.805 1.00 0.00 C ATOM 0 H ALA A 73 -5.474 -12.552 -1.736 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.087 -13.664 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.804 -11.347 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.910 -11.944 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.115 -10.850 -1.911 1.00 0.00 H new ATOM 997 N VAL A 74 -8.394 -12.236 -4.692 1.00 0.00 N ATOM 998 CA VAL A 74 -8.451 -11.920 -6.109 1.00 0.00 C ATOM 999 C VAL A 74 -8.329 -10.406 -6.295 1.00 0.00 C ATOM 1000 O VAL A 74 -9.281 -9.668 -6.046 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.728 -12.497 -6.724 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -10.964 -11.749 -6.221 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.658 -12.478 -8.251 1.00 0.00 C ATOM 0 H VAL A 74 -9.289 -12.179 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.616 -12.381 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.814 -13.536 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.858 -12.178 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.027 -11.838 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.889 -10.697 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.578 -12.893 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.537 -11.451 -8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.809 -13.076 -8.584 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.150 -9.988 -6.733 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.892 -8.576 -6.954 1.00 0.00 C ATOM 1015 C LEU A 75 -7.660 -8.111 -8.194 1.00 0.00 C ATOM 1016 O LEU A 75 -7.735 -8.830 -9.189 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.387 -8.312 -7.029 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.821 -7.357 -5.975 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.022 -5.899 -6.392 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.418 -7.646 -4.597 1.00 0.00 C ATOM 0 H LEU A 75 -6.363 -10.603 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.254 -7.986 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.866 -9.266 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.157 -7.910 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.747 -7.526 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.611 -5.241 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.512 -5.717 -7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.087 -5.698 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.999 -6.954 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.500 -7.522 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.181 -8.669 -4.305 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.212 -6.910 -8.093 1.00 0.00 N ATOM 1032 CA GLU A 76 -8.971 -6.341 -9.193 1.00 0.00 C ATOM 1033 C GLU A 76 -8.632 -4.858 -9.360 1.00 0.00 C ATOM 1034 O GLU A 76 -8.199 -4.206 -8.411 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.473 -6.539 -8.982 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.023 -7.607 -9.930 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.553 -7.600 -9.936 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.114 -6.487 -10.024 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -13.126 -8.708 -9.853 1.00 0.00 O ATOM 0 H GLU A 76 -8.148 -6.316 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.694 -6.863 -10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.664 -6.831 -7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.995 -5.596 -9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.651 -7.429 -10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.662 -8.589 -9.626 1.00 0.00 H new ATOM 1044 N ALA A 77 -8.842 -4.368 -10.572 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.565 -2.975 -10.876 1.00 0.00 C ATOM 1046 C ALA A 77 -9.507 -2.083 -10.065 1.00 0.00 C ATOM 1047 O ALA A 77 -10.696 -2.373 -9.951 1.00 0.00 O ATOM 1048 CB ALA A 77 -8.696 -2.745 -12.383 1.00 0.00 C ATOM 0 H ALA A 77 -9.201 -4.912 -11.357 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.544 -2.717 -10.595 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.488 -1.700 -12.611 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.985 -3.380 -12.911 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.709 -2.991 -12.702 1.00 0.00 H new ATOM 1054 N GLY A 78 -8.938 -1.016 -9.522 1.00 0.00 N ATOM 1055 CA GLY A 78 -9.712 -0.080 -8.725 1.00 0.00 C ATOM 1056 C GLY A 78 -10.424 -0.797 -7.575 1.00 0.00 C ATOM 1057 O GLY A 78 -11.648 -0.743 -7.469 1.00 0.00 O ATOM 0 H GLY A 78 -7.951 -0.779 -9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.055 0.693 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.446 0.421 -9.356 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.626 -1.451 -6.744 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.163 -2.177 -5.606 1.00 0.00 C ATOM 1063 C CYS A 79 -9.333 -1.821 -4.373 1.00 0.00 C ATOM 1064 O CYS A 79 -8.343 -1.097 -4.474 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.191 -3.686 -5.860 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.881 -4.211 -6.324 1.00 0.00 S ATOM 0 H CYS A 79 -8.611 -1.493 -6.836 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.200 -1.883 -5.441 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.491 -3.942 -6.655 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.868 -4.220 -4.966 1.00 0.00 H new ATOM 0 HG CYS A 79 -11.893 -5.493 -6.540 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.764 -2.346 -3.235 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.072 -2.092 -1.984 1.00 0.00 C ATOM 1073 C VAL A 80 -8.131 -3.260 -1.680 1.00 0.00 C ATOM 1074 O VAL A 80 -8.485 -4.419 -1.896 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.087 -1.837 -0.867 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.880 -3.104 -0.546 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.398 -1.289 0.384 1.00 0.00 C ATOM 0 H VAL A 80 -10.585 -2.946 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.461 -1.193 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.791 -1.083 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.594 -2.894 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.416 -3.433 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.196 -3.889 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.141 -1.116 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.661 -2.010 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.900 -0.350 0.143 1.00 0.00 H new ATOM 1087 N VAL A 81 -6.952 -2.915 -1.185 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.958 -3.920 -0.849 1.00 0.00 C ATOM 1089 C VAL A 81 -5.602 -3.805 0.633 1.00 0.00 C ATOM 1090 O VAL A 81 -5.865 -4.721 1.412 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.742 -3.781 -1.769 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.630 -4.747 -1.357 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.135 -3.990 -3.232 1.00 0.00 C ATOM 0 H VAL A 81 -6.662 -1.953 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.358 -4.921 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.359 -2.766 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.778 -4.628 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.321 -4.531 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.998 -5.771 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.253 -3.886 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.555 -4.988 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.877 -3.245 -3.519 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.010 -2.671 0.981 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.615 -2.425 2.357 1.00 0.00 C ATOM 1105 C ALA A 82 -4.930 -0.972 2.721 1.00 0.00 C ATOM 1106 O ALA A 82 -5.496 -0.235 1.914 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.132 -2.760 2.531 1.00 0.00 C ATOM 0 H ALA A 82 -4.795 -1.913 0.333 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.176 -3.066 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.836 -2.575 3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.965 -3.809 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.537 -2.134 1.866 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.551 -0.604 3.935 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.786 0.747 4.415 1.00 0.00 C ATOM 1115 C ARG A 83 -3.466 1.516 4.507 1.00 0.00 C ATOM 1116 O ARG A 83 -2.405 0.916 4.679 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.457 0.734 5.790 1.00 0.00 C ATOM 1118 CG ARG A 83 -6.974 0.884 5.660 1.00 0.00 C ATOM 1119 CD ARG A 83 -7.347 2.280 5.160 1.00 0.00 C ATOM 1120 NE ARG A 83 -7.875 3.095 6.276 1.00 0.00 N ATOM 1121 CZ ARG A 83 -9.000 2.812 6.947 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -9.722 1.732 6.618 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -9.402 3.608 7.947 1.00 0.00 N ATOM 0 H ARG A 83 -4.082 -1.218 4.601 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.449 1.240 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.223 -0.198 6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.059 1.544 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.359 0.132 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.445 0.702 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.472 2.765 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.094 2.204 4.370 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.350 3.925 6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.415 1.126 5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.578 1.516 7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.852 4.429 8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.258 3.393 8.458 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.574 2.830 4.389 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.401 3.687 4.457 1.00 0.00 C ATOM 1136 C LEU A 84 -2.560 4.670 5.619 1.00 0.00 C ATOM 1137 O LEU A 84 -3.313 5.637 5.521 1.00 0.00 O ATOM 1138 CB LEU A 84 -2.155 4.365 3.108 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.800 4.082 2.453 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.665 4.834 1.128 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.349 4.399 3.412 1.00 0.00 C ATOM 0 H LEU A 84 -4.455 3.324 4.247 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.508 3.096 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.941 4.056 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.254 5.442 3.241 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.745 3.017 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.306 4.616 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.455 4.517 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.749 5.906 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.300 4.189 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.309 5.452 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.257 3.782 4.306 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.836 4.388 6.693 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.887 5.235 7.872 1.00 0.00 C ATOM 1154 C GLU A 85 -0.732 6.239 7.855 1.00 0.00 C ATOM 1155 O GLU A 85 0.359 5.943 8.340 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.865 4.395 9.152 1.00 0.00 C ATOM 1157 CG GLU A 85 -3.264 3.876 9.490 1.00 0.00 C ATOM 1158 CD GLU A 85 -3.654 4.245 10.924 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -2.961 3.758 11.843 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -4.635 5.005 11.067 1.00 0.00 O ATOM 0 H GLU A 85 -1.211 3.585 6.771 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.825 5.790 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.181 3.555 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.486 4.995 9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.990 4.295 8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.293 2.793 9.368 1.00 0.00 H new ATOM 1165 N LEU A 86 -1.011 7.404 7.291 1.00 0.00 N ATOM 1166 CA LEU A 86 -0.010 8.453 7.205 1.00 0.00 C ATOM 1167 C LEU A 86 0.626 8.660 8.581 1.00 0.00 C ATOM 1168 O LEU A 86 -0.074 8.702 9.592 1.00 0.00 O ATOM 1169 CB LEU A 86 -0.616 9.725 6.610 1.00 0.00 C ATOM 1170 CG LEU A 86 -1.232 9.587 5.216 1.00 0.00 C ATOM 1171 CD1 LEU A 86 -2.079 10.813 4.867 1.00 0.00 C ATOM 1172 CD2 LEU A 86 -0.155 9.316 4.165 1.00 0.00 C ATOM 0 H LEU A 86 -1.917 7.645 6.889 1.00 0.00 H new ATOM 0 HA LEU A 86 0.790 8.161 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.385 10.090 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.161 10.488 6.568 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.900 8.726 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.505 10.689 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.883 10.919 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.453 11.705 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.620 9.222 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.557 10.142 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.367 8.391 4.409 1.00 0.00 H new ATOM 1183 N ASP A 87 1.945 8.783 8.576 1.00 0.00 N ATOM 1184 CA ASP A 87 2.683 8.986 9.811 1.00 0.00 C ATOM 1185 C ASP A 87 2.856 10.485 10.058 1.00 0.00 C ATOM 1186 O ASP A 87 3.891 10.920 10.560 1.00 0.00 O ATOM 1187 CB ASP A 87 4.076 8.356 9.730 1.00 0.00 C ATOM 1188 CG ASP A 87 4.860 8.684 8.458 1.00 0.00 C ATOM 1189 OD1 ASP A 87 4.304 8.432 7.367 1.00 0.00 O ATOM 1190 OD2 ASP A 87 5.998 9.179 8.605 1.00 0.00 O ATOM 0 H ASP A 87 2.522 8.746 7.736 1.00 0.00 H new ATOM 0 HA ASP A 87 2.121 8.518 10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.657 8.684 10.592 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.974 7.274 9.807 1.00 0.00 H new ATOM 1194 N ASP A 88 1.827 11.236 9.693 1.00 0.00 N ATOM 1195 CA ASP A 88 1.852 12.678 9.868 1.00 0.00 C ATOM 1196 C ASP A 88 0.644 13.294 9.159 1.00 0.00 C ATOM 1197 O ASP A 88 0.755 13.756 8.025 1.00 0.00 O ATOM 1198 CB ASP A 88 3.118 13.284 9.261 1.00 0.00 C ATOM 1199 CG ASP A 88 4.168 13.742 10.276 1.00 0.00 C ATOM 1200 OD1 ASP A 88 4.161 13.178 11.391 1.00 0.00 O ATOM 1201 OD2 ASP A 88 4.951 14.645 9.913 1.00 0.00 O ATOM 0 H ASP A 88 0.970 10.872 9.276 1.00 0.00 H new ATOM 0 HA ASP A 88 1.829 12.889 10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.573 12.548 8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.835 14.137 8.644 1.00 0.00 H new ATOM 1205 N PRO A 89 -0.512 13.282 9.876 1.00 0.00 N ATOM 1206 CA PRO A 89 -1.738 13.834 9.327 1.00 0.00 C ATOM 1207 C PRO A 89 -1.706 15.364 9.342 1.00 0.00 C ATOM 1208 O PRO A 89 -0.758 15.963 9.847 1.00 0.00 O ATOM 1209 CB PRO A 89 -2.850 13.255 10.188 1.00 0.00 C ATOM 1210 CG PRO A 89 -2.181 12.776 11.465 1.00 0.00 C ATOM 1211 CD PRO A 89 -0.680 12.743 11.223 1.00 0.00 C ATOM 0 HA PRO A 89 -1.885 13.572 8.279 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.609 14.007 10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.351 12.433 9.678 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.419 13.443 12.294 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.545 11.786 11.738 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.146 13.344 11.960 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.289 11.728 11.296 1.00 0.00 H new ATOM 1216 N SER A 90 -2.752 15.951 8.782 1.00 0.00 N ATOM 1217 CA SER A 90 -2.856 17.400 8.725 1.00 0.00 C ATOM 1218 C SER A 90 -4.231 17.847 9.225 1.00 0.00 C ATOM 1219 O SER A 90 -5.137 18.085 8.429 1.00 0.00 O ATOM 1220 CB SER A 90 -2.616 17.913 7.303 1.00 0.00 C ATOM 1221 OG SER A 90 -2.553 19.336 7.254 1.00 0.00 O ATOM 0 H SER A 90 -3.536 15.450 8.363 1.00 0.00 H new ATOM 0 HA SER A 90 -2.087 17.824 9.371 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.685 17.495 6.919 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.416 17.563 6.651 1.00 0.00 H new ATOM 0 HG SER A 90 -2.397 19.625 6.331 1.00 0.00 H new ATOM 1226 N LYS A 91 -4.342 17.946 10.542 1.00 0.00 N ATOM 1227 CA LYS A 91 -5.592 18.361 11.158 1.00 0.00 C ATOM 1228 C LYS A 91 -5.395 19.719 11.836 1.00 0.00 C ATOM 1229 O LYS A 91 -5.595 19.849 13.043 1.00 0.00 O ATOM 1230 CB LYS A 91 -6.110 17.273 12.100 1.00 0.00 C ATOM 1231 CG LYS A 91 -5.204 17.128 13.324 1.00 0.00 C ATOM 1232 CD LYS A 91 -4.551 15.746 13.363 1.00 0.00 C ATOM 1233 CE LYS A 91 -5.383 14.770 14.198 1.00 0.00 C ATOM 1234 NZ LYS A 91 -4.850 14.682 15.576 1.00 0.00 N ATOM 0 H LYS A 91 -3.588 17.746 11.199 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.366 18.491 10.401 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.123 17.517 12.420 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -6.164 16.323 11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.433 17.898 13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.786 17.285 14.232 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.443 15.362 12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.548 15.825 13.782 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.422 15.098 14.224 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.372 13.784 13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.426 14.016 16.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.866 14.347 15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.883 15.621 16.022 1.00 0.00 H new ATOM 1244 N VAL A 92 -5.006 20.696 11.029 1.00 0.00 N ATOM 1245 CA VAL A 92 -4.781 22.039 11.536 1.00 0.00 C ATOM 1246 C VAL A 92 -5.762 23.003 10.866 1.00 0.00 C ATOM 1247 O VAL A 92 -6.111 22.829 9.699 1.00 0.00 O ATOM 1248 CB VAL A 92 -3.318 22.437 11.331 1.00 0.00 C ATOM 1249 CG1 VAL A 92 -2.961 22.467 9.844 1.00 0.00 C ATOM 1250 CG2 VAL A 92 -3.017 23.782 11.995 1.00 0.00 C ATOM 0 H VAL A 92 -4.841 20.584 10.029 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.968 22.079 12.609 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.695 21.681 11.809 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.916 22.753 9.726 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.118 21.479 9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.595 23.191 9.332 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.971 24.041 11.834 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.653 24.553 11.560 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.213 23.711 13.065 1.00 0.00 H new ATOM 1260 N HIS A 93 -6.180 23.999 11.634 1.00 0.00 N ATOM 1261 CA HIS A 93 -7.114 24.991 11.129 1.00 0.00 C ATOM 1262 C HIS A 93 -6.515 26.390 11.290 1.00 0.00 C ATOM 1263 O HIS A 93 -6.694 27.029 12.326 1.00 0.00 O ATOM 1264 CB HIS A 93 -8.477 24.849 11.808 1.00 0.00 C ATOM 1265 CG HIS A 93 -9.623 24.633 10.847 1.00 0.00 C ATOM 1266 ND1 HIS A 93 -9.608 23.651 9.871 1.00 0.00 N ATOM 1267 CD2 HIS A 93 -10.817 25.280 10.724 1.00 0.00 C ATOM 1268 CE1 HIS A 93 -10.745 23.716 9.196 1.00 0.00 C ATOM 1269 NE2 HIS A 93 -11.494 24.727 9.725 1.00 0.00 N ATOM 0 H HIS A 93 -5.889 24.140 12.601 1.00 0.00 H new ATOM 0 HA HIS A 93 -7.284 24.826 10.065 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -8.439 24.012 12.505 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.674 25.745 12.396 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -11.155 26.103 11.336 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -11.030 23.080 8.371 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -12.420 25.011 9.406 1.00 0.00 H new ATOM 1276 N PRO A 94 -5.797 26.834 10.224 1.00 0.00 N ATOM 1277 CA PRO A 94 -5.170 28.145 10.238 1.00 0.00 C ATOM 1278 C PRO A 94 -6.209 29.252 10.045 1.00 0.00 C ATOM 1279 O PRO A 94 -7.406 29.022 10.215 1.00 0.00 O ATOM 1280 CB PRO A 94 -4.137 28.099 9.125 1.00 0.00 C ATOM 1281 CG PRO A 94 -4.540 26.938 8.230 1.00 0.00 C ATOM 1282 CD PRO A 94 -5.565 26.104 8.982 1.00 0.00 C ATOM 0 HA PRO A 94 -4.697 28.375 11.193 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.122 29.035 8.567 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.135 27.952 9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.960 27.306 7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.670 26.334 7.974 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.485 25.996 8.408 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.191 25.099 9.177 1.00 0.00 H new ATOM 1287 N SER A 95 -5.714 30.429 9.692 1.00 0.00 N ATOM 1288 CA SER A 95 -6.584 31.572 9.473 1.00 0.00 C ATOM 1289 C SER A 95 -6.069 32.405 8.299 1.00 0.00 C ATOM 1290 O SER A 95 -5.465 33.459 8.499 1.00 0.00 O ATOM 1291 CB SER A 95 -6.687 32.434 10.732 1.00 0.00 C ATOM 1292 OG SER A 95 -5.425 32.974 11.115 1.00 0.00 O ATOM 0 H SER A 95 -4.721 30.616 9.552 1.00 0.00 H new ATOM 0 HA SER A 95 -7.582 31.202 9.236 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.391 33.247 10.558 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.088 31.835 11.550 1.00 0.00 H new ATOM 0 HG SER A 95 -5.039 33.468 10.362 1.00 0.00 H new ATOM 1297 N GLY A 96 -6.325 31.904 7.100 1.00 0.00 N ATOM 1298 CA GLY A 96 -5.893 32.590 5.894 1.00 0.00 C ATOM 1299 C GLY A 96 -6.826 33.756 5.563 1.00 0.00 C ATOM 1300 O GLY A 96 -7.264 34.479 6.458 1.00 0.00 O ATOM 0 H GLY A 96 -6.826 31.031 6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.876 32.959 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.872 31.888 5.060 1.00 0.00 H new ATOM 1304 N PRO A 97 -7.110 33.909 4.242 1.00 0.00 N ATOM 1305 CA PRO A 97 -7.982 34.976 3.783 1.00 0.00 C ATOM 1306 C PRO A 97 -9.446 34.660 4.095 1.00 0.00 C ATOM 1307 O PRO A 97 -10.251 34.464 3.186 1.00 0.00 O ATOM 1308 CB PRO A 97 -7.706 35.096 2.293 1.00 0.00 C ATOM 1309 CG PRO A 97 -7.038 33.792 1.886 1.00 0.00 C ATOM 1310 CD PRO A 97 -6.609 33.073 3.155 1.00 0.00 C ATOM 0 HA PRO A 97 -7.790 35.923 4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -8.630 35.252 1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.060 35.948 2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.727 33.173 1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.176 33.987 1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.029 32.068 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -5.525 32.968 3.203 1.00 0.00 H new ATOM 1315 N SER A 98 -9.748 34.621 5.385 1.00 0.00 N ATOM 1316 CA SER A 98 -11.100 34.333 5.829 1.00 0.00 C ATOM 1317 C SER A 98 -12.062 35.403 5.309 1.00 0.00 C ATOM 1318 O SER A 98 -11.716 36.583 5.264 1.00 0.00 O ATOM 1319 CB SER A 98 -11.173 34.249 7.355 1.00 0.00 C ATOM 1320 OG SER A 98 -10.544 33.073 7.857 1.00 0.00 O ATOM 0 H SER A 98 -9.078 34.784 6.137 1.00 0.00 H new ATOM 0 HA SER A 98 -11.393 33.364 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.697 35.128 7.789 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.217 34.264 7.669 1.00 0.00 H new ATOM 0 HG SER A 98 -10.611 33.058 8.835 1.00 0.00 H new ATOM 1325 N SER A 99 -13.248 34.953 4.930 1.00 0.00 N ATOM 1326 CA SER A 99 -14.263 35.858 4.415 1.00 0.00 C ATOM 1327 C SER A 99 -15.581 35.107 4.215 1.00 0.00 C ATOM 1328 O SER A 99 -15.582 33.898 3.990 1.00 0.00 O ATOM 1329 CB SER A 99 -13.811 36.500 3.102 1.00 0.00 C ATOM 1330 OG SER A 99 -13.474 35.525 2.119 1.00 0.00 O ATOM 0 H SER A 99 -13.530 33.974 4.969 1.00 0.00 H new ATOM 0 HA SER A 99 -14.415 36.654 5.144 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.605 37.141 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.948 37.139 3.289 1.00 0.00 H new ATOM 0 HG SER A 99 -13.192 35.975 1.295 1.00 0.00 H new ATOM 1335 N GLY A 100 -16.670 35.856 4.302 1.00 0.00 N ATOM 1336 CA GLY A 100 -17.992 35.276 4.133 1.00 0.00 C ATOM 1337 C GLY A 100 -19.029 36.023 4.974 1.00 0.00 C ATOM 1338 O GLY A 100 -19.343 37.180 4.697 1.00 0.00 O ATOM 0 H GLY A 100 -16.664 36.859 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.277 35.312 3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -17.972 34.225 4.423 1.00 0.00 H new TER 1342 GLY A 100