USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 429 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 29 SER OG : rot 82:sc= 0.743 USER MOD Set 1.2: A 43 TYR OH : rot -137:sc= 1.85 USER MOD Single : A 2 THR OG1 : rot -21:sc= -0.492 USER MOD Single : A 3 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.28) USER MOD Single : A 4 HIS : no HD1:sc= 1.16 K(o=1.2,f=-4.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -75:sc= 0.0963 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 40:sc= 0.953 USER MOD Single : A 24 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.28) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 1.06 (180deg=1.05) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -23:sc= 0.314 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot -158:sc= 0.599 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -9:sc= 1.17 USER MOD Single : A 67 SER OG : rot 46:sc= 0.158 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 11.681 7.982 12.008 1.00 0.00 N ATOM 21 CA THR A 2 10.662 6.955 11.888 1.00 0.00 C ATOM 22 C THR A 2 10.782 6.202 10.568 1.00 0.00 C ATOM 23 O THR A 2 10.452 6.723 9.504 1.00 0.00 O ATOM 24 CB THR A 2 9.254 7.561 12.005 1.00 0.00 C ATOM 25 OG1 THR A 2 9.217 8.848 11.370 1.00 0.00 O ATOM 26 CG2 THR A 2 8.832 7.689 13.456 1.00 0.00 C ATOM 0 HA THR A 2 10.818 6.252 12.706 1.00 0.00 H new ATOM 0 HB THR A 2 8.555 6.891 11.504 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.126 9.209 11.309 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.832 8.120 13.507 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.826 6.703 13.922 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.534 8.335 13.983 1.00 0.00 H new ATOM 34 N HIS A 3 11.281 4.982 10.640 1.00 0.00 N ATOM 35 CA HIS A 3 11.396 4.138 9.463 1.00 0.00 C ATOM 36 C HIS A 3 10.802 2.766 9.750 1.00 0.00 C ATOM 37 O HIS A 3 11.296 2.027 10.602 1.00 0.00 O ATOM 38 CB HIS A 3 12.860 4.027 8.996 1.00 0.00 C ATOM 39 CG HIS A 3 13.788 3.380 9.980 1.00 0.00 C ATOM 40 ND1 HIS A 3 14.257 4.022 11.105 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.324 2.137 10.009 1.00 0.00 C ATOM 42 CE1 HIS A 3 15.039 3.204 11.777 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.096 2.053 11.139 1.00 0.00 N ATOM 0 H HIS A 3 11.614 4.552 11.503 1.00 0.00 H new ATOM 0 HA HIS A 3 10.834 4.597 8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.887 3.460 8.065 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.231 5.027 8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.172 1.357 9.278 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.550 3.438 12.699 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.627 1.234 11.436 1.00 0.00 H new ATOM 52 N HIS A 4 9.720 2.443 9.069 1.00 0.00 N ATOM 53 CA HIS A 4 9.065 1.164 9.271 1.00 0.00 C ATOM 54 C HIS A 4 9.373 0.228 8.116 1.00 0.00 C ATOM 55 O HIS A 4 9.030 0.507 6.968 1.00 0.00 O ATOM 56 CB HIS A 4 7.555 1.344 9.412 1.00 0.00 C ATOM 57 CG HIS A 4 6.836 0.089 9.778 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.174 -0.689 10.862 1.00 0.00 N ATOM 59 CD2 HIS A 4 5.804 -0.527 9.180 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.371 -1.734 10.914 1.00 0.00 C ATOM 61 NE2 HIS A 4 5.527 -1.662 9.902 1.00 0.00 N ATOM 0 H HIS A 4 9.277 3.044 8.374 1.00 0.00 H new ATOM 0 HA HIS A 4 9.447 0.727 10.194 1.00 0.00 H new ATOM 0 HB2 HIS A 4 7.357 2.101 10.171 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.153 1.722 8.472 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.286 -0.192 8.293 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.399 -2.516 11.658 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.792 -2.337 9.691 1.00 0.00 H new ATOM 70 N THR A 5 10.020 -0.875 8.431 1.00 0.00 N ATOM 71 CA THR A 5 10.382 -1.856 7.446 1.00 0.00 C ATOM 72 C THR A 5 9.965 -3.250 7.901 1.00 0.00 C ATOM 73 O THR A 5 10.345 -3.695 8.982 1.00 0.00 O ATOM 74 CB THR A 5 11.898 -1.821 7.221 1.00 0.00 C ATOM 75 OG1 THR A 5 12.551 -1.273 8.377 1.00 0.00 O ATOM 76 CG2 THR A 5 12.258 -1.006 5.988 1.00 0.00 C ATOM 0 H THR A 5 10.307 -1.111 9.381 1.00 0.00 H new ATOM 0 HA THR A 5 9.866 -1.624 6.514 1.00 0.00 H new ATOM 0 HB THR A 5 12.238 -2.844 7.060 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.519 -1.255 8.228 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.340 -1.002 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.789 -1.449 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.904 0.017 6.112 1.00 0.00 H new ATOM 84 N GLU A 6 9.180 -3.932 7.082 1.00 0.00 N ATOM 85 CA GLU A 6 8.731 -5.276 7.413 1.00 0.00 C ATOM 86 C GLU A 6 8.368 -6.043 6.150 1.00 0.00 C ATOM 87 O GLU A 6 8.322 -5.470 5.063 1.00 0.00 O ATOM 88 CB GLU A 6 7.530 -5.236 8.364 1.00 0.00 C ATOM 89 CG GLU A 6 6.255 -4.703 7.732 1.00 0.00 C ATOM 90 CD GLU A 6 5.067 -4.783 8.667 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.816 -5.874 9.227 1.00 0.00 O ATOM 92 OE2 GLU A 6 4.370 -3.759 8.842 1.00 0.00 O ATOM 0 H GLU A 6 8.841 -3.579 6.187 1.00 0.00 H new ATOM 0 HA GLU A 6 9.552 -5.788 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.344 -6.242 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.782 -4.617 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.408 -3.666 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.039 -5.269 6.826 1.00 0.00 H new ATOM 99 N VAL A 7 8.115 -7.333 6.298 1.00 0.00 N ATOM 100 CA VAL A 7 7.759 -8.177 5.170 1.00 0.00 C ATOM 101 C VAL A 7 6.397 -8.827 5.397 1.00 0.00 C ATOM 102 O VAL A 7 6.193 -9.533 6.383 1.00 0.00 O ATOM 103 CB VAL A 7 8.827 -9.271 4.921 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.386 -10.222 3.820 1.00 0.00 C ATOM 105 CG2 VAL A 7 10.165 -8.643 4.563 1.00 0.00 C ATOM 0 H VAL A 7 8.150 -7.820 7.193 1.00 0.00 H new ATOM 0 HA VAL A 7 7.710 -7.540 4.287 1.00 0.00 H new ATOM 0 HB VAL A 7 8.942 -9.841 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.154 -10.980 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.452 -10.705 4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.236 -9.664 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.901 -9.428 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.056 -8.045 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.498 -8.005 5.382 1.00 0.00 H new ATOM 115 N PHE A 8 5.468 -8.565 4.493 1.00 0.00 N ATOM 116 CA PHE A 8 4.142 -9.162 4.548 1.00 0.00 C ATOM 117 C PHE A 8 3.980 -10.136 3.388 1.00 0.00 C ATOM 118 O PHE A 8 3.833 -9.713 2.244 1.00 0.00 O ATOM 119 CB PHE A 8 3.079 -8.059 4.458 1.00 0.00 C ATOM 120 CG PHE A 8 1.681 -8.500 4.781 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.299 -8.737 6.092 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.741 -8.654 3.776 1.00 0.00 C ATOM 123 CE1 PHE A 8 0.006 -9.116 6.394 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.552 -9.038 4.070 1.00 0.00 C ATOM 125 CZ PHE A 8 -0.922 -9.268 5.381 1.00 0.00 C ATOM 0 H PHE A 8 5.610 -7.935 3.703 1.00 0.00 H new ATOM 0 HA PHE A 8 4.019 -9.699 5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.356 -7.252 5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.090 -7.646 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.021 -8.624 6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.023 -8.471 2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.280 -9.293 7.420 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.274 -9.159 3.276 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.934 -9.566 5.614 1.00 0.00 H new ATOM 135 N GLU A 9 4.025 -11.433 3.686 1.00 0.00 N ATOM 136 CA GLU A 9 3.895 -12.482 2.667 1.00 0.00 C ATOM 137 C GLU A 9 4.846 -12.251 1.489 1.00 0.00 C ATOM 138 O GLU A 9 4.537 -12.594 0.346 1.00 0.00 O ATOM 139 CB GLU A 9 2.447 -12.569 2.175 1.00 0.00 C ATOM 140 CG GLU A 9 1.470 -13.010 3.251 1.00 0.00 C ATOM 141 CD GLU A 9 1.899 -14.299 3.916 1.00 0.00 C ATOM 142 OE1 GLU A 9 1.834 -15.364 3.268 1.00 0.00 O ATOM 143 OE2 GLU A 9 2.313 -14.255 5.093 1.00 0.00 O ATOM 0 H GLU A 9 4.152 -11.789 4.634 1.00 0.00 H new ATOM 0 HA GLU A 9 4.171 -13.429 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.141 -11.594 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.396 -13.268 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.382 -12.226 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.482 -13.141 2.811 1.00 0.00 H new ATOM 150 N GLY A 10 6.009 -11.684 1.779 1.00 0.00 N ATOM 151 CA GLY A 10 6.982 -11.413 0.740 1.00 0.00 C ATOM 152 C GLY A 10 7.059 -9.939 0.392 1.00 0.00 C ATOM 153 O GLY A 10 8.106 -9.445 -0.028 1.00 0.00 O ATOM 0 H GLY A 10 6.296 -11.406 2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.963 -11.759 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.724 -11.982 -0.153 1.00 0.00 H new ATOM 157 N GLY A 11 5.956 -9.233 0.577 1.00 0.00 N ATOM 158 CA GLY A 11 5.931 -7.818 0.272 1.00 0.00 C ATOM 159 C GLY A 11 6.663 -7.013 1.314 1.00 0.00 C ATOM 160 O GLY A 11 6.306 -7.026 2.488 1.00 0.00 O ATOM 0 H GLY A 11 5.078 -9.613 0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.384 -7.648 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.898 -7.477 0.208 1.00 0.00 H new ATOM 164 N THR A 12 7.690 -6.322 0.884 1.00 0.00 N ATOM 165 CA THR A 12 8.522 -5.557 1.792 1.00 0.00 C ATOM 166 C THR A 12 8.009 -4.128 1.900 1.00 0.00 C ATOM 167 O THR A 12 7.832 -3.451 0.897 1.00 0.00 O ATOM 168 CB THR A 12 9.985 -5.555 1.314 1.00 0.00 C ATOM 169 OG1 THR A 12 10.395 -6.900 1.024 1.00 0.00 O ATOM 170 CG2 THR A 12 10.906 -4.959 2.370 1.00 0.00 C ATOM 0 H THR A 12 7.974 -6.271 -0.094 1.00 0.00 H new ATOM 0 HA THR A 12 8.477 -6.025 2.775 1.00 0.00 H new ATOM 0 HB THR A 12 10.052 -4.942 0.415 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.326 -6.899 0.718 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.933 -4.970 2.005 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.606 -3.932 2.577 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.839 -5.548 3.285 1.00 0.00 H new ATOM 178 N ILE A 13 7.752 -3.681 3.114 1.00 0.00 N ATOM 179 CA ILE A 13 7.258 -2.333 3.326 1.00 0.00 C ATOM 180 C ILE A 13 8.406 -1.411 3.709 1.00 0.00 C ATOM 181 O ILE A 13 9.081 -1.634 4.715 1.00 0.00 O ATOM 182 CB ILE A 13 6.173 -2.295 4.425 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.026 -3.243 4.065 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.652 -0.876 4.609 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.940 -3.321 5.115 1.00 0.00 C ATOM 0 H ILE A 13 7.876 -4.228 3.966 1.00 0.00 H new ATOM 0 HA ILE A 13 6.810 -1.992 2.393 1.00 0.00 H new ATOM 0 HB ILE A 13 6.616 -2.623 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.584 -2.920 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.431 -4.242 3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.888 -0.867 5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.474 -0.221 4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.220 -0.523 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.164 -4.013 4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.366 -3.674 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.505 -2.332 5.263 1.00 0.00 H new ATOM 197 N ASP A 14 8.620 -0.391 2.895 1.00 0.00 N ATOM 198 CA ASP A 14 9.673 0.587 3.127 1.00 0.00 C ATOM 199 C ASP A 14 9.056 1.940 3.442 1.00 0.00 C ATOM 200 O ASP A 14 8.570 2.633 2.545 1.00 0.00 O ATOM 201 CB ASP A 14 10.572 0.730 1.890 1.00 0.00 C ATOM 202 CG ASP A 14 11.355 -0.527 1.553 1.00 0.00 C ATOM 203 OD1 ASP A 14 10.783 -1.442 0.921 1.00 0.00 O ATOM 204 OD2 ASP A 14 12.559 -0.589 1.895 1.00 0.00 O ATOM 0 H ASP A 14 8.069 -0.216 2.054 1.00 0.00 H new ATOM 0 HA ASP A 14 10.276 0.242 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.955 1.003 1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.272 1.550 2.054 1.00 0.00 H new ATOM 209 N ILE A 15 9.045 2.309 4.711 1.00 0.00 N ATOM 210 CA ILE A 15 8.505 3.600 5.109 1.00 0.00 C ATOM 211 C ILE A 15 9.610 4.507 5.632 1.00 0.00 C ATOM 212 O ILE A 15 10.280 4.186 6.612 1.00 0.00 O ATOM 213 CB ILE A 15 7.404 3.455 6.184 1.00 0.00 C ATOM 214 CG1 ILE A 15 6.270 2.561 5.673 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.864 4.825 6.576 1.00 0.00 C ATOM 216 CD1 ILE A 15 5.159 2.346 6.683 1.00 0.00 C ATOM 0 H ILE A 15 9.400 1.739 5.479 1.00 0.00 H new ATOM 0 HA ILE A 15 8.059 4.047 4.221 1.00 0.00 H new ATOM 0 HB ILE A 15 7.841 2.987 7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.848 3.005 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.683 1.593 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.089 4.708 7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.674 5.434 6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.442 5.314 5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.393 1.703 6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.566 1.873 7.577 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.719 3.307 6.949 1.00 0.00 H new ATOM 228 N GLU A 16 9.787 5.646 4.975 1.00 0.00 N ATOM 229 CA GLU A 16 10.800 6.612 5.371 1.00 0.00 C ATOM 230 C GLU A 16 10.163 7.853 5.975 1.00 0.00 C ATOM 231 O GLU A 16 9.247 8.436 5.397 1.00 0.00 O ATOM 232 CB GLU A 16 11.677 7.005 4.186 1.00 0.00 C ATOM 233 CG GLU A 16 12.703 5.948 3.822 1.00 0.00 C ATOM 234 CD GLU A 16 13.745 6.460 2.856 1.00 0.00 C ATOM 235 OE1 GLU A 16 14.644 7.208 3.296 1.00 0.00 O ATOM 236 OE2 GLU A 16 13.678 6.114 1.662 1.00 0.00 O ATOM 0 H GLU A 16 9.238 5.923 4.161 1.00 0.00 H new ATOM 0 HA GLU A 16 11.426 6.137 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.042 7.198 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.192 7.937 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.195 5.597 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.195 5.090 3.382 1.00 0.00 H new ATOM 243 N ASP A 17 10.638 8.225 7.160 1.00 0.00 N ATOM 244 CA ASP A 17 10.179 9.424 7.869 1.00 0.00 C ATOM 245 C ASP A 17 8.681 9.340 8.171 1.00 0.00 C ATOM 246 O ASP A 17 8.017 10.349 8.414 1.00 0.00 O ATOM 247 CB ASP A 17 10.500 10.685 7.056 1.00 0.00 C ATOM 248 CG ASP A 17 10.416 11.947 7.890 1.00 0.00 C ATOM 249 OD1 ASP A 17 11.301 12.157 8.744 1.00 0.00 O ATOM 250 OD2 ASP A 17 9.480 12.748 7.678 1.00 0.00 O ATOM 0 H ASP A 17 11.356 7.703 7.662 1.00 0.00 H new ATOM 0 HA ASP A 17 10.711 9.483 8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.501 10.597 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.807 10.760 6.218 1.00 0.00 H new ATOM 255 N ASP A 18 8.165 8.114 8.147 1.00 0.00 N ATOM 256 CA ASP A 18 6.752 7.832 8.417 1.00 0.00 C ATOM 257 C ASP A 18 5.849 8.535 7.398 1.00 0.00 C ATOM 258 O ASP A 18 4.647 8.691 7.610 1.00 0.00 O ATOM 259 CB ASP A 18 6.392 8.259 9.846 1.00 0.00 C ATOM 260 CG ASP A 18 5.300 7.407 10.465 1.00 0.00 C ATOM 261 OD1 ASP A 18 5.526 6.195 10.656 1.00 0.00 O ATOM 262 OD2 ASP A 18 4.222 7.951 10.793 1.00 0.00 O ATOM 0 H ASP A 18 8.716 7.281 7.939 1.00 0.00 H new ATOM 0 HA ASP A 18 6.590 6.758 8.322 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.284 8.206 10.470 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.071 9.301 9.837 1.00 0.00 H new ATOM 267 N THR A 19 6.438 8.946 6.281 1.00 0.00 N ATOM 268 CA THR A 19 5.702 9.644 5.238 1.00 0.00 C ATOM 269 C THR A 19 5.985 9.054 3.860 1.00 0.00 C ATOM 270 O THR A 19 5.083 8.925 3.031 1.00 0.00 O ATOM 271 CB THR A 19 6.040 11.147 5.232 1.00 0.00 C ATOM 272 OG1 THR A 19 7.449 11.334 5.434 1.00 0.00 O ATOM 273 CG2 THR A 19 5.265 11.887 6.308 1.00 0.00 C ATOM 0 H THR A 19 7.427 8.806 6.076 1.00 0.00 H new ATOM 0 HA THR A 19 4.642 9.517 5.459 1.00 0.00 H new ATOM 0 HB THR A 19 5.754 11.554 4.262 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.669 11.171 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.524 12.945 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.196 11.770 6.132 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.518 11.477 7.286 1.00 0.00 H new ATOM 281 N SER A 20 7.240 8.698 3.617 1.00 0.00 N ATOM 282 CA SER A 20 7.626 8.094 2.351 1.00 0.00 C ATOM 283 C SER A 20 7.190 6.632 2.334 1.00 0.00 C ATOM 284 O SER A 20 7.775 5.795 3.021 1.00 0.00 O ATOM 285 CB SER A 20 9.143 8.191 2.147 1.00 0.00 C ATOM 286 OG SER A 20 9.477 8.119 0.773 1.00 0.00 O ATOM 0 H SER A 20 8.006 8.817 4.280 1.00 0.00 H new ATOM 0 HA SER A 20 7.136 8.631 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.510 9.128 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.638 7.385 2.688 1.00 0.00 H new ATOM 0 HG SER A 20 10.449 8.185 0.669 1.00 0.00 H new ATOM 292 N LEU A 21 6.148 6.335 1.572 1.00 0.00 N ATOM 293 CA LEU A 21 5.588 4.994 1.534 1.00 0.00 C ATOM 294 C LEU A 21 5.975 4.267 0.252 1.00 0.00 C ATOM 295 O LEU A 21 5.602 4.674 -0.851 1.00 0.00 O ATOM 296 CB LEU A 21 4.062 5.057 1.668 1.00 0.00 C ATOM 297 CG LEU A 21 3.349 3.717 1.697 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.848 2.861 2.851 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.842 3.916 1.781 1.00 0.00 C ATOM 0 H LEU A 21 5.673 7.007 0.970 1.00 0.00 H new ATOM 0 HA LEU A 21 5.999 4.433 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.818 5.598 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.666 5.641 0.837 1.00 0.00 H new ATOM 0 HG LEU A 21 3.573 3.191 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.322 1.906 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.918 2.686 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.662 3.377 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.347 2.945 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.598 4.466 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.500 4.480 0.913 1.00 0.00 H new ATOM 311 N THR A 22 6.724 3.191 0.414 1.00 0.00 N ATOM 312 CA THR A 22 7.114 2.337 -0.693 1.00 0.00 C ATOM 313 C THR A 22 6.933 0.874 -0.313 1.00 0.00 C ATOM 314 O THR A 22 7.176 0.492 0.828 1.00 0.00 O ATOM 315 CB THR A 22 8.579 2.583 -1.106 1.00 0.00 C ATOM 316 OG1 THR A 22 9.282 3.264 -0.058 1.00 0.00 O ATOM 317 CG2 THR A 22 8.656 3.397 -2.382 1.00 0.00 C ATOM 0 H THR A 22 7.080 2.884 1.319 1.00 0.00 H new ATOM 0 HA THR A 22 6.473 2.580 -1.541 1.00 0.00 H new ATOM 0 HB THR A 22 9.044 1.614 -1.284 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.002 2.905 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.701 3.556 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.152 2.861 -3.186 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.171 4.361 -2.229 1.00 0.00 H new ATOM 325 N ILE A 23 6.480 0.064 -1.257 1.00 0.00 N ATOM 326 CA ILE A 23 6.302 -1.360 -1.013 1.00 0.00 C ATOM 327 C ILE A 23 7.036 -2.178 -2.070 1.00 0.00 C ATOM 328 O ILE A 23 6.689 -2.130 -3.253 1.00 0.00 O ATOM 329 CB ILE A 23 4.808 -1.764 -0.992 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.069 -1.033 0.131 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.670 -3.271 -0.816 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.578 -1.303 0.159 1.00 0.00 C ATOM 0 H ILE A 23 6.229 0.367 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 23 6.722 -1.570 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 23 4.362 -1.479 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.500 -1.327 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.233 0.039 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.614 -3.541 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.165 -3.781 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.133 -3.571 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.124 -0.751 0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.133 -0.983 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.404 -2.370 0.299 1.00 0.00 H new ATOM 344 N ASN A 24 8.072 -2.895 -1.633 1.00 0.00 N ATOM 345 CA ASN A 24 8.824 -3.808 -2.494 1.00 0.00 C ATOM 346 C ASN A 24 9.487 -3.047 -3.645 1.00 0.00 C ATOM 347 O ASN A 24 9.702 -3.583 -4.731 1.00 0.00 O ATOM 348 CB ASN A 24 7.889 -4.906 -3.021 1.00 0.00 C ATOM 349 CG ASN A 24 8.613 -6.047 -3.715 1.00 0.00 C ATOM 350 OD1 ASN A 24 8.071 -6.658 -4.635 1.00 0.00 O ATOM 351 ND2 ASN A 24 9.831 -6.350 -3.285 1.00 0.00 N ATOM 0 H ASN A 24 8.413 -2.859 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 24 9.618 -4.275 -1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.311 -5.308 -2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.179 -4.462 -3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.351 -7.112 -3.720 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.248 -5.821 -2.519 1.00 0.00 H new ATOM 358 N GLY A 25 9.824 -1.792 -3.390 1.00 0.00 N ATOM 359 CA GLY A 25 10.472 -0.981 -4.400 1.00 0.00 C ATOM 360 C GLY A 25 9.491 -0.135 -5.186 1.00 0.00 C ATOM 361 O GLY A 25 9.894 0.757 -5.928 1.00 0.00 O ATOM 0 H GLY A 25 9.660 -1.320 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.206 -0.331 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.018 -1.629 -5.086 1.00 0.00 H new ATOM 365 N LYS A 26 8.201 -0.402 -5.023 1.00 0.00 N ATOM 366 CA LYS A 26 7.178 0.350 -5.738 1.00 0.00 C ATOM 367 C LYS A 26 6.671 1.494 -4.873 1.00 0.00 C ATOM 368 O LYS A 26 6.300 1.293 -3.716 1.00 0.00 O ATOM 369 CB LYS A 26 6.003 -0.546 -6.156 1.00 0.00 C ATOM 370 CG LYS A 26 6.351 -1.618 -7.186 1.00 0.00 C ATOM 371 CD LYS A 26 6.986 -2.843 -6.544 1.00 0.00 C ATOM 372 CE LYS A 26 7.416 -3.859 -7.587 1.00 0.00 C ATOM 373 NZ LYS A 26 6.267 -4.379 -8.373 1.00 0.00 N ATOM 0 H LYS A 26 7.840 -1.129 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 26 7.634 0.750 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.601 -1.033 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.210 0.083 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.448 -1.915 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.035 -1.201 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.850 -2.539 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.276 -3.304 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.138 -3.400 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.923 -4.689 -7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.612 -5.043 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.606 -4.870 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.777 -3.588 -8.837 1.00 0.00 H new ATOM 387 N GLU A 27 6.669 2.693 -5.431 1.00 0.00 N ATOM 388 CA GLU A 27 6.242 3.867 -4.694 1.00 0.00 C ATOM 389 C GLU A 27 4.724 3.935 -4.641 1.00 0.00 C ATOM 390 O GLU A 27 4.047 3.889 -5.671 1.00 0.00 O ATOM 391 CB GLU A 27 6.816 5.131 -5.327 1.00 0.00 C ATOM 392 CG GLU A 27 6.707 6.358 -4.442 1.00 0.00 C ATOM 393 CD GLU A 27 7.479 7.532 -5.001 1.00 0.00 C ATOM 394 OE1 GLU A 27 8.724 7.445 -5.073 1.00 0.00 O ATOM 395 OE2 GLU A 27 6.849 8.538 -5.386 1.00 0.00 O ATOM 0 H GLU A 27 6.958 2.877 -6.392 1.00 0.00 H new ATOM 0 HA GLU A 27 6.619 3.794 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.865 4.961 -5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.298 5.324 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.658 6.633 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.080 6.120 -3.446 1.00 0.00 H new ATOM 402 N ILE A 28 4.189 4.027 -3.435 1.00 0.00 N ATOM 403 CA ILE A 28 2.753 4.055 -3.249 1.00 0.00 C ATOM 404 C ILE A 28 2.234 5.483 -3.325 1.00 0.00 C ATOM 405 O ILE A 28 2.432 6.282 -2.400 1.00 0.00 O ATOM 406 CB ILE A 28 2.335 3.412 -1.910 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.852 1.971 -1.833 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.818 3.446 -1.748 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.325 1.074 -2.935 1.00 0.00 C ATOM 0 H ILE A 28 4.730 4.083 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 28 2.310 3.468 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 28 2.777 3.986 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.941 1.983 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.576 1.546 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.543 2.988 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.473 4.480 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.352 2.894 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.734 0.071 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.237 1.031 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.624 1.474 -3.904 1.00 0.00 H new ATOM 421 N SER A 29 1.612 5.800 -4.451 1.00 0.00 N ATOM 422 CA SER A 29 0.966 7.083 -4.652 1.00 0.00 C ATOM 423 C SER A 29 -0.141 7.291 -3.624 1.00 0.00 C ATOM 424 O SER A 29 -1.242 6.747 -3.751 1.00 0.00 O ATOM 425 CB SER A 29 0.405 7.166 -6.071 1.00 0.00 C ATOM 426 OG SER A 29 1.426 6.939 -7.035 1.00 0.00 O ATOM 0 H SER A 29 1.542 5.171 -5.251 1.00 0.00 H new ATOM 0 HA SER A 29 1.704 7.874 -4.520 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.389 6.430 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.042 8.147 -6.233 1.00 0.00 H new ATOM 0 HG SER A 29 1.567 5.975 -7.141 1.00 0.00 H new ATOM 432 N TYR A 30 0.176 8.057 -2.596 1.00 0.00 N ATOM 433 CA TYR A 30 -0.749 8.328 -1.517 1.00 0.00 C ATOM 434 C TYR A 30 -0.759 9.818 -1.259 1.00 0.00 C ATOM 435 O TYR A 30 -0.087 10.586 -1.949 1.00 0.00 O ATOM 436 CB TYR A 30 -0.315 7.585 -0.242 1.00 0.00 C ATOM 437 CG TYR A 30 -1.397 7.422 0.811 1.00 0.00 C ATOM 438 CD1 TYR A 30 -2.404 6.477 0.661 1.00 0.00 C ATOM 439 CD2 TYR A 30 -1.409 8.213 1.955 1.00 0.00 C ATOM 440 CE1 TYR A 30 -3.393 6.327 1.618 1.00 0.00 C ATOM 441 CE2 TYR A 30 -2.395 8.071 2.913 1.00 0.00 C ATOM 442 CZ TYR A 30 -3.384 7.129 2.742 1.00 0.00 C ATOM 443 OH TYR A 30 -4.370 6.990 3.697 1.00 0.00 O ATOM 0 H TYR A 30 1.084 8.508 -2.488 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.746 7.985 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.048 6.596 -0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.525 8.119 0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.416 5.849 -0.217 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.634 8.951 2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.168 5.586 1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.390 8.697 3.793 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.215 7.630 4.423 1.00 0.00 H new ATOM 618 N SER A 41 -4.865 6.024 -1.536 1.00 0.00 N ATOM 619 CA SER A 41 -3.917 5.451 -2.468 1.00 0.00 C ATOM 620 C SER A 41 -4.581 5.179 -3.810 1.00 0.00 C ATOM 621 O SER A 41 -5.573 4.449 -3.883 1.00 0.00 O ATOM 622 CB SER A 41 -3.362 4.162 -1.878 1.00 0.00 C ATOM 623 OG SER A 41 -4.407 3.363 -1.352 1.00 0.00 O ATOM 0 HA SER A 41 -3.103 6.156 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.824 3.607 -2.646 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.644 4.395 -1.091 1.00 0.00 H new ATOM 0 HG SER A 41 -5.177 3.930 -1.140 1.00 0.00 H new ATOM 629 N ARG A 42 -4.034 5.752 -4.870 1.00 0.00 N ATOM 630 CA ARG A 42 -4.633 5.614 -6.190 1.00 0.00 C ATOM 631 C ARG A 42 -4.122 4.349 -6.888 1.00 0.00 C ATOM 632 O ARG A 42 -3.484 4.410 -7.939 1.00 0.00 O ATOM 633 CB ARG A 42 -4.359 6.865 -7.038 1.00 0.00 C ATOM 634 CG ARG A 42 -5.401 7.101 -8.119 1.00 0.00 C ATOM 635 CD ARG A 42 -5.208 8.447 -8.800 1.00 0.00 C ATOM 636 NE ARG A 42 -4.034 8.471 -9.669 1.00 0.00 N ATOM 637 CZ ARG A 42 -3.282 9.554 -9.879 1.00 0.00 C ATOM 638 NH1 ARG A 42 -3.537 10.681 -9.227 1.00 0.00 N ATOM 639 NH2 ARG A 42 -2.273 9.506 -10.743 1.00 0.00 N ATOM 0 H ARG A 42 -3.183 6.313 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.712 5.516 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.320 7.737 -6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.378 6.772 -7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.342 6.305 -8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.398 7.054 -7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.095 8.684 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.111 9.224 -8.041 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.773 7.607 -10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.310 10.722 -8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.960 11.506 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.073 8.641 -11.246 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.699 10.334 -10.903 1.00 0.00 H new ATOM 653 N TYR A 43 -4.395 3.204 -6.270 1.00 0.00 N ATOM 654 CA TYR A 43 -4.061 1.904 -6.840 1.00 0.00 C ATOM 655 C TYR A 43 -5.204 0.938 -6.580 1.00 0.00 C ATOM 656 O TYR A 43 -5.840 0.437 -7.506 1.00 0.00 O ATOM 657 CB TYR A 43 -2.779 1.327 -6.227 1.00 0.00 C ATOM 658 CG TYR A 43 -1.517 2.080 -6.574 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.018 2.087 -7.870 1.00 0.00 C ATOM 660 CD2 TYR A 43 -0.812 2.769 -5.599 1.00 0.00 C ATOM 661 CE1 TYR A 43 0.146 2.766 -8.184 1.00 0.00 C ATOM 662 CE2 TYR A 43 0.348 3.448 -5.903 1.00 0.00 C ATOM 663 CZ TYR A 43 0.825 3.443 -7.194 1.00 0.00 C ATOM 664 OH TYR A 43 1.985 4.126 -7.492 1.00 0.00 O ATOM 0 H TYR A 43 -4.854 3.152 -5.360 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.899 2.038 -7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.888 1.309 -5.143 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.670 0.293 -6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.547 1.554 -8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.179 2.774 -4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.520 2.765 -9.197 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.881 3.982 -5.131 1.00 0.00 H new ATOM 0 HH TYR A 43 2.651 3.961 -6.792 1.00 0.00 H new ATOM 674 N LEU A 44 -5.463 0.700 -5.303 1.00 0.00 N ATOM 675 CA LEU A 44 -6.543 -0.176 -4.886 1.00 0.00 C ATOM 676 C LEU A 44 -7.873 0.549 -5.082 1.00 0.00 C ATOM 677 O LEU A 44 -7.936 1.769 -4.921 1.00 0.00 O ATOM 678 CB LEU A 44 -6.348 -0.562 -3.414 1.00 0.00 C ATOM 679 CG LEU A 44 -7.034 -1.857 -2.968 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.435 -3.051 -3.697 1.00 0.00 C ATOM 681 CD2 LEU A 44 -6.908 -2.039 -1.465 1.00 0.00 C ATOM 0 H LEU A 44 -4.933 1.107 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.543 -1.087 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.279 -0.654 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.715 0.254 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.093 -1.789 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.932 -3.964 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.573 -2.928 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.370 -3.118 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.402 -2.964 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.854 -2.086 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.378 -1.198 -0.956 1.00 0.00 H new ATOM 693 N PRO A 45 -8.941 -0.170 -5.463 1.00 0.00 N ATOM 694 CA PRO A 45 -10.265 0.432 -5.660 1.00 0.00 C ATOM 695 C PRO A 45 -10.866 0.967 -4.359 1.00 0.00 C ATOM 696 O PRO A 45 -10.190 1.044 -3.329 1.00 0.00 O ATOM 697 CB PRO A 45 -11.112 -0.725 -6.208 1.00 0.00 C ATOM 698 CG PRO A 45 -10.409 -1.957 -5.761 1.00 0.00 C ATOM 699 CD PRO A 45 -8.947 -1.615 -5.753 1.00 0.00 C ATOM 0 HA PRO A 45 -10.220 1.294 -6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.130 -0.688 -5.820 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.183 -0.683 -7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.745 -2.261 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.612 -2.789 -6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.405 -2.180 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.477 -1.835 -6.711 1.00 0.00 H new ATOM 707 N TYR A 46 -12.141 1.327 -4.406 1.00 0.00 N ATOM 708 CA TYR A 46 -12.836 1.862 -3.239 1.00 0.00 C ATOM 709 C TYR A 46 -13.276 0.748 -2.287 1.00 0.00 C ATOM 710 O TYR A 46 -14.425 0.708 -1.843 1.00 0.00 O ATOM 711 CB TYR A 46 -14.039 2.717 -3.670 1.00 0.00 C ATOM 712 CG TYR A 46 -14.882 2.109 -4.773 1.00 0.00 C ATOM 713 CD1 TYR A 46 -15.897 1.203 -4.489 1.00 0.00 C ATOM 714 CD2 TYR A 46 -14.665 2.451 -6.101 1.00 0.00 C ATOM 715 CE1 TYR A 46 -16.669 0.657 -5.497 1.00 0.00 C ATOM 716 CE2 TYR A 46 -15.434 1.911 -7.113 1.00 0.00 C ATOM 717 CZ TYR A 46 -16.434 1.016 -6.807 1.00 0.00 C ATOM 718 OH TYR A 46 -17.205 0.479 -7.814 1.00 0.00 O ATOM 0 H TYR A 46 -12.719 1.258 -5.243 1.00 0.00 H new ATOM 0 HA TYR A 46 -12.135 2.498 -2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -14.673 2.893 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -13.676 3.690 -4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -16.086 0.921 -3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.881 3.152 -6.347 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -17.452 -0.047 -5.260 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -15.252 2.190 -8.140 1.00 0.00 H new ATOM 0 HH TYR A 46 -16.910 0.837 -8.678 1.00 0.00 H new ATOM 728 N THR A 47 -12.348 -0.147 -1.977 1.00 0.00 N ATOM 729 CA THR A 47 -12.584 -1.199 -1.003 1.00 0.00 C ATOM 730 C THR A 47 -12.671 -0.588 0.396 1.00 0.00 C ATOM 731 O THR A 47 -12.374 0.595 0.579 1.00 0.00 O ATOM 732 CB THR A 47 -11.454 -2.241 -1.045 1.00 0.00 C ATOM 733 OG1 THR A 47 -10.875 -2.274 -2.359 1.00 0.00 O ATOM 734 CG2 THR A 47 -11.970 -3.628 -0.688 1.00 0.00 C ATOM 0 H THR A 47 -11.416 -0.163 -2.392 1.00 0.00 H new ATOM 0 HA THR A 47 -13.523 -1.697 -1.246 1.00 0.00 H new ATOM 0 HB THR A 47 -10.701 -1.953 -0.312 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.154 -2.938 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.148 -4.343 -0.726 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.391 -3.612 0.317 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.741 -3.923 -1.399 1.00 0.00 H new ATOM 742 N GLN A 48 -13.063 -1.376 1.384 1.00 0.00 N ATOM 743 CA GLN A 48 -13.220 -0.849 2.728 1.00 0.00 C ATOM 744 C GLN A 48 -11.890 -0.806 3.466 1.00 0.00 C ATOM 745 O GLN A 48 -11.437 -1.805 4.031 1.00 0.00 O ATOM 746 CB GLN A 48 -14.252 -1.650 3.518 1.00 0.00 C ATOM 747 CG GLN A 48 -15.659 -1.513 2.962 1.00 0.00 C ATOM 748 CD GLN A 48 -16.714 -2.027 3.913 1.00 0.00 C ATOM 749 OE1 GLN A 48 -17.083 -3.197 3.872 1.00 0.00 O ATOM 750 NE2 GLN A 48 -17.217 -1.150 4.767 1.00 0.00 N ATOM 0 H GLN A 48 -13.275 -2.369 1.283 1.00 0.00 H new ATOM 0 HA GLN A 48 -13.585 0.174 2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.967 -2.702 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.243 -1.319 4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -15.857 -0.465 2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.728 -2.058 2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -16.881 -0.187 4.766 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.941 -1.437 5.426 1.00 0.00 H new ATOM 759 N TYR A 49 -11.257 0.356 3.422 1.00 0.00 N ATOM 760 CA TYR A 49 -10.033 0.604 4.163 1.00 0.00 C ATOM 761 C TYR A 49 -9.894 2.093 4.437 1.00 0.00 C ATOM 762 O TYR A 49 -10.537 2.915 3.781 1.00 0.00 O ATOM 763 CB TYR A 49 -8.799 0.090 3.407 1.00 0.00 C ATOM 764 CG TYR A 49 -8.610 0.696 2.032 1.00 0.00 C ATOM 765 CD1 TYR A 49 -7.942 1.905 1.866 1.00 0.00 C ATOM 766 CD2 TYR A 49 -9.091 0.056 0.896 1.00 0.00 C ATOM 767 CE1 TYR A 49 -7.763 2.457 0.612 1.00 0.00 C ATOM 768 CE2 TYR A 49 -8.917 0.602 -0.361 1.00 0.00 C ATOM 769 CZ TYR A 49 -8.252 1.801 -0.496 1.00 0.00 C ATOM 770 OH TYR A 49 -8.072 2.345 -1.749 1.00 0.00 O ATOM 0 H TYR A 49 -11.578 1.152 2.872 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.093 0.061 5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.911 0.293 4.005 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.875 -0.993 3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.556 2.421 2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.610 -0.885 0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.243 3.397 0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.300 0.092 -1.233 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.747 1.985 -2.362 1.00 0.00 H new ATOM 780 N ASP A 50 -9.063 2.428 5.408 1.00 0.00 N ATOM 781 CA ASP A 50 -8.825 3.822 5.769 1.00 0.00 C ATOM 782 C ASP A 50 -7.491 3.988 6.500 1.00 0.00 C ATOM 783 O ASP A 50 -6.885 5.058 6.456 1.00 0.00 O ATOM 784 CB ASP A 50 -9.976 4.343 6.635 1.00 0.00 C ATOM 785 CG ASP A 50 -9.871 5.828 6.920 1.00 0.00 C ATOM 786 OD1 ASP A 50 -10.048 6.636 5.983 1.00 0.00 O ATOM 787 OD2 ASP A 50 -9.632 6.195 8.088 1.00 0.00 O ATOM 0 H ASP A 50 -8.538 1.754 5.965 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.776 4.407 4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.922 4.140 6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.991 3.797 7.578 1.00 0.00 H new ATOM 792 N SER A 51 -7.023 2.932 7.160 1.00 0.00 N ATOM 793 CA SER A 51 -5.771 2.997 7.896 1.00 0.00 C ATOM 794 C SER A 51 -4.581 2.754 6.971 1.00 0.00 C ATOM 795 O SER A 51 -4.674 1.974 6.021 1.00 0.00 O ATOM 796 CB SER A 51 -5.781 1.980 9.034 1.00 0.00 C ATOM 797 OG SER A 51 -6.832 2.249 9.946 1.00 0.00 O ATOM 0 H SER A 51 -7.492 2.027 7.198 1.00 0.00 H new ATOM 0 HA SER A 51 -5.670 3.997 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.896 0.975 8.628 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.825 2.005 9.557 1.00 0.00 H new ATOM 0 HG SER A 51 -6.819 1.583 10.665 1.00 0.00 H new ATOM 803 N LEU A 52 -3.469 3.426 7.256 1.00 0.00 N ATOM 804 CA LEU A 52 -2.270 3.341 6.422 1.00 0.00 C ATOM 805 C LEU A 52 -1.687 1.925 6.444 1.00 0.00 C ATOM 806 O LEU A 52 -1.431 1.336 5.393 1.00 0.00 O ATOM 807 CB LEU A 52 -1.226 4.366 6.903 1.00 0.00 C ATOM 808 CG LEU A 52 -0.123 4.757 5.898 1.00 0.00 C ATOM 809 CD1 LEU A 52 0.878 3.629 5.690 1.00 0.00 C ATOM 810 CD2 LEU A 52 -0.732 5.179 4.566 1.00 0.00 C ATOM 0 H LEU A 52 -3.372 4.040 8.064 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.544 3.572 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.752 5.273 7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.746 3.968 7.797 1.00 0.00 H new ATOM 0 HG LEU A 52 0.417 5.604 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.638 3.944 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.352 3.384 6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.361 2.750 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.063 5.451 3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.309 4.352 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.387 6.036 4.721 1.00 0.00 H new ATOM 822 N LEU A 53 -1.496 1.377 7.641 1.00 0.00 N ATOM 823 CA LEU A 53 -0.909 0.057 7.791 1.00 0.00 C ATOM 824 C LEU A 53 -1.864 -1.016 7.286 1.00 0.00 C ATOM 825 O LEU A 53 -1.437 -2.063 6.786 1.00 0.00 O ATOM 826 CB LEU A 53 -0.555 -0.191 9.259 1.00 0.00 C ATOM 827 CG LEU A 53 0.795 0.362 9.728 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.924 -0.181 8.866 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.798 1.884 9.720 1.00 0.00 C ATOM 0 H LEU A 53 -1.741 1.831 8.521 1.00 0.00 H new ATOM 0 HA LEU A 53 0.002 0.009 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.339 0.244 9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.567 -1.266 9.438 1.00 0.00 H new ATOM 0 HG LEU A 53 0.955 0.032 10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.874 0.223 9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.944 -1.269 8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.763 0.113 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.769 2.248 10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.608 2.243 8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.020 2.253 10.388 1.00 0.00 H new ATOM 841 N ASP A 54 -3.157 -0.739 7.419 1.00 0.00 N ATOM 842 CA ASP A 54 -4.197 -1.633 6.923 1.00 0.00 C ATOM 843 C ASP A 54 -4.141 -1.682 5.402 1.00 0.00 C ATOM 844 O ASP A 54 -4.111 -2.755 4.802 1.00 0.00 O ATOM 845 CB ASP A 54 -5.576 -1.147 7.379 1.00 0.00 C ATOM 846 CG ASP A 54 -6.682 -2.140 7.071 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.812 -3.137 7.814 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.439 -1.910 6.106 1.00 0.00 O ATOM 0 H ASP A 54 -3.511 0.104 7.870 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.030 -2.632 7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.553 -0.958 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.801 -0.198 6.893 1.00 0.00 H new ATOM 853 N LEU A 55 -4.086 -0.498 4.799 1.00 0.00 N ATOM 854 CA LEU A 55 -3.984 -0.349 3.351 1.00 0.00 C ATOM 855 C LEU A 55 -2.746 -1.073 2.820 1.00 0.00 C ATOM 856 O LEU A 55 -2.821 -1.814 1.841 1.00 0.00 O ATOM 857 CB LEU A 55 -3.948 1.155 3.010 1.00 0.00 C ATOM 858 CG LEU A 55 -3.887 1.539 1.523 1.00 0.00 C ATOM 859 CD1 LEU A 55 -2.446 1.557 1.027 1.00 0.00 C ATOM 860 CD2 LEU A 55 -4.731 0.589 0.682 1.00 0.00 C ATOM 0 H LEU A 55 -4.111 0.388 5.303 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.850 -0.803 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.834 1.620 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.083 1.593 3.507 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.297 2.543 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.428 1.831 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.873 2.285 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.006 0.568 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.672 0.881 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.357 -0.428 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.768 0.634 1.013 1.00 0.00 H new ATOM 872 N ALA A 56 -1.616 -0.866 3.485 1.00 0.00 N ATOM 873 CA ALA A 56 -0.359 -1.478 3.070 1.00 0.00 C ATOM 874 C ALA A 56 -0.477 -3.001 3.002 1.00 0.00 C ATOM 875 O ALA A 56 -0.061 -3.619 2.025 1.00 0.00 O ATOM 876 CB ALA A 56 0.761 -1.074 4.015 1.00 0.00 C ATOM 0 H ALA A 56 -1.544 -0.278 4.315 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.124 -1.117 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.693 -1.538 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.873 0.010 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.521 -1.404 5.026 1.00 0.00 H new ATOM 882 N ARG A 57 -1.060 -3.596 4.034 1.00 0.00 N ATOM 883 CA ARG A 57 -1.238 -5.043 4.078 1.00 0.00 C ATOM 884 C ARG A 57 -2.302 -5.500 3.089 1.00 0.00 C ATOM 885 O ARG A 57 -2.146 -6.529 2.430 1.00 0.00 O ATOM 886 CB ARG A 57 -1.599 -5.488 5.496 1.00 0.00 C ATOM 887 CG ARG A 57 -0.411 -5.509 6.443 1.00 0.00 C ATOM 888 CD ARG A 57 -0.848 -5.503 7.902 1.00 0.00 C ATOM 889 NE ARG A 57 0.150 -6.104 8.790 1.00 0.00 N ATOM 890 CZ ARG A 57 1.384 -5.630 8.995 1.00 0.00 C ATOM 891 NH1 ARG A 57 1.796 -4.522 8.390 1.00 0.00 N ATOM 892 NH2 ARG A 57 2.206 -6.261 9.825 1.00 0.00 N ATOM 0 H ARG A 57 -1.418 -3.101 4.851 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.295 -5.508 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.361 -4.819 5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.039 -6.484 5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.193 -6.395 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.222 -4.643 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.038 -4.477 8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.789 -6.045 7.998 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.117 -6.951 9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.169 -4.022 7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.740 -4.171 8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.896 -7.106 10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.147 -5.901 9.982 1.00 0.00 H new ATOM 906 N ALA A 58 -3.370 -4.723 2.971 1.00 0.00 N ATOM 907 CA ALA A 58 -4.455 -5.045 2.056 1.00 0.00 C ATOM 908 C ALA A 58 -3.964 -5.096 0.615 1.00 0.00 C ATOM 909 O ALA A 58 -4.360 -5.976 -0.147 1.00 0.00 O ATOM 910 CB ALA A 58 -5.590 -4.044 2.197 1.00 0.00 C ATOM 0 H ALA A 58 -3.508 -3.862 3.500 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.830 -6.034 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.391 -4.302 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.971 -4.068 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.223 -3.043 1.970 1.00 0.00 H new ATOM 916 N ILE A 59 -3.095 -4.160 0.244 1.00 0.00 N ATOM 917 CA ILE A 59 -2.539 -4.145 -1.100 1.00 0.00 C ATOM 918 C ILE A 59 -1.692 -5.391 -1.353 1.00 0.00 C ATOM 919 O ILE A 59 -1.871 -6.073 -2.361 1.00 0.00 O ATOM 920 CB ILE A 59 -1.691 -2.882 -1.364 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.588 -1.644 -1.419 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.895 -3.023 -2.659 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.850 -0.380 -1.812 1.00 0.00 C ATOM 0 H ILE A 59 -2.765 -3.410 0.851 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.384 -4.136 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.984 -2.766 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.394 -1.821 -2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.051 -1.497 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.305 -2.121 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.229 -3.883 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.581 -3.166 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.547 0.458 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.061 -0.179 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.410 -0.508 -2.801 1.00 0.00 H new ATOM 935 N ILE A 60 -0.794 -5.704 -0.427 1.00 0.00 N ATOM 936 CA ILE A 60 0.092 -6.851 -0.585 1.00 0.00 C ATOM 937 C ILE A 60 -0.709 -8.150 -0.688 1.00 0.00 C ATOM 938 O ILE A 60 -0.385 -9.031 -1.486 1.00 0.00 O ATOM 939 CB ILE A 60 1.134 -6.943 0.558 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.938 -5.648 0.623 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.066 -8.123 0.322 1.00 0.00 C ATOM 942 CD1 ILE A 60 2.910 -5.592 1.778 1.00 0.00 C ATOM 0 H ILE A 60 -0.660 -5.182 0.439 1.00 0.00 H new ATOM 0 HA ILE A 60 0.640 -6.705 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 60 0.614 -7.091 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.489 -5.526 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.249 -4.807 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.794 -8.179 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.485 -9.045 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.587 -7.991 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.445 -4.642 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.364 -5.682 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.623 -6.412 1.693 1.00 0.00 H new ATOM 954 N ARG A 61 -1.766 -8.257 0.106 1.00 0.00 N ATOM 955 CA ARG A 61 -2.598 -9.454 0.107 1.00 0.00 C ATOM 956 C ARG A 61 -3.511 -9.516 -1.125 1.00 0.00 C ATOM 957 O ARG A 61 -3.876 -10.602 -1.580 1.00 0.00 O ATOM 958 CB ARG A 61 -3.431 -9.515 1.395 1.00 0.00 C ATOM 959 CG ARG A 61 -4.497 -10.602 1.398 1.00 0.00 C ATOM 960 CD ARG A 61 -5.230 -10.663 2.725 1.00 0.00 C ATOM 961 NE ARG A 61 -6.557 -11.261 2.585 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.152 -11.999 3.516 1.00 0.00 C ATOM 963 NH1 ARG A 61 -6.494 -12.375 4.608 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.404 -12.403 3.336 1.00 0.00 N ATOM 0 H ARG A 61 -2.068 -7.532 0.756 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.936 -10.319 0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.762 -9.676 2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.912 -8.549 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.211 -10.414 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.034 -11.567 1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.644 -11.242 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.326 -9.657 3.134 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.061 -11.101 1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.521 -12.097 4.738 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.962 -12.941 5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.905 -12.147 2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.864 -12.970 4.048 1.00 0.00 H new ATOM 978 N ASP A 62 -3.880 -8.365 -1.676 1.00 0.00 N ATOM 979 CA ASP A 62 -4.835 -8.347 -2.786 1.00 0.00 C ATOM 980 C ASP A 62 -4.135 -8.328 -4.140 1.00 0.00 C ATOM 981 O ASP A 62 -4.687 -8.784 -5.143 1.00 0.00 O ATOM 982 CB ASP A 62 -5.793 -7.155 -2.662 1.00 0.00 C ATOM 983 CG ASP A 62 -6.973 -7.244 -3.617 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.503 -8.359 -3.811 1.00 0.00 O ATOM 985 OD2 ASP A 62 -7.395 -6.199 -4.158 1.00 0.00 O ATOM 0 H ASP A 62 -3.543 -7.448 -1.383 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.413 -9.269 -2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.164 -7.098 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.245 -6.233 -2.854 1.00 0.00 H new ATOM 990 N THR A 63 -2.917 -7.827 -4.168 1.00 0.00 N ATOM 991 CA THR A 63 -2.150 -7.762 -5.407 1.00 0.00 C ATOM 992 C THR A 63 -0.773 -8.397 -5.237 1.00 0.00 C ATOM 993 O THR A 63 0.016 -7.987 -4.384 1.00 0.00 O ATOM 994 CB THR A 63 -1.996 -6.310 -5.925 1.00 0.00 C ATOM 995 OG1 THR A 63 -1.468 -5.462 -4.901 1.00 0.00 O ATOM 996 CG2 THR A 63 -3.330 -5.757 -6.400 1.00 0.00 C ATOM 0 H THR A 63 -2.432 -7.458 -3.350 1.00 0.00 H new ATOM 0 HA THR A 63 -2.714 -8.327 -6.149 1.00 0.00 H new ATOM 0 HB THR A 63 -1.303 -6.332 -6.766 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.446 -5.950 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.194 -4.737 -6.758 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.714 -6.378 -7.210 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.040 -5.759 -5.573 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.488 -9.399 -6.064 1.00 0.00 N ATOM 1005 CA VAL A 64 0.787 -10.116 -6.011 1.00 0.00 C ATOM 1006 C VAL A 64 1.918 -9.286 -6.614 1.00 0.00 C ATOM 1007 O VAL A 64 3.083 -9.676 -6.580 1.00 0.00 O ATOM 1008 CB VAL A 64 0.709 -11.463 -6.753 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -0.252 -12.409 -6.052 1.00 0.00 C ATOM 1010 CG2 VAL A 64 0.304 -11.260 -8.205 1.00 0.00 C ATOM 0 H VAL A 64 -1.126 -9.736 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 64 0.996 -10.299 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 64 1.701 -11.914 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.292 -13.354 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.092 -12.588 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.247 -11.964 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.256 -12.226 -8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.674 -10.780 -8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.039 -10.628 -8.703 1.00 0.00 H new ATOM 1020 N GLU A 65 1.555 -8.137 -7.152 1.00 0.00 N ATOM 1021 CA GLU A 65 2.498 -7.237 -7.808 1.00 0.00 C ATOM 1022 C GLU A 65 3.569 -6.746 -6.828 1.00 0.00 C ATOM 1023 O GLU A 65 4.642 -6.296 -7.236 1.00 0.00 O ATOM 1024 CB GLU A 65 1.755 -6.026 -8.384 1.00 0.00 C ATOM 1025 CG GLU A 65 0.424 -6.360 -9.047 1.00 0.00 C ATOM 1026 CD GLU A 65 0.566 -7.217 -10.289 1.00 0.00 C ATOM 1027 OE1 GLU A 65 0.543 -8.457 -10.169 1.00 0.00 O ATOM 1028 OE2 GLU A 65 0.672 -6.649 -11.398 1.00 0.00 O ATOM 0 H GLU A 65 0.594 -7.796 -7.149 1.00 0.00 H new ATOM 0 HA GLU A 65 2.984 -7.792 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.578 -5.309 -7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.398 -5.535 -9.115 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.211 -6.878 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.084 -5.433 -9.311 1.00 0.00 H new ATOM 1035 N PHE A 66 3.273 -6.839 -5.537 1.00 0.00 N ATOM 1036 CA PHE A 66 4.142 -6.280 -4.509 1.00 0.00 C ATOM 1037 C PHE A 66 4.755 -7.358 -3.620 1.00 0.00 C ATOM 1038 O PHE A 66 5.424 -7.044 -2.637 1.00 0.00 O ATOM 1039 CB PHE A 66 3.353 -5.296 -3.640 1.00 0.00 C ATOM 1040 CG PHE A 66 2.813 -4.111 -4.396 1.00 0.00 C ATOM 1041 CD1 PHE A 66 1.597 -4.188 -5.059 1.00 0.00 C ATOM 1042 CD2 PHE A 66 3.520 -2.920 -4.441 1.00 0.00 C ATOM 1043 CE1 PHE A 66 1.100 -3.102 -5.753 1.00 0.00 C ATOM 1044 CE2 PHE A 66 3.025 -1.831 -5.133 1.00 0.00 C ATOM 1045 CZ PHE A 66 1.815 -1.922 -5.789 1.00 0.00 C ATOM 0 H PHE A 66 2.436 -7.297 -5.177 1.00 0.00 H new ATOM 0 HA PHE A 66 4.957 -5.766 -5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.523 -5.825 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.997 -4.939 -2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.032 -5.108 -5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.468 -2.842 -3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.153 -3.176 -6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.586 -0.908 -5.160 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.428 -1.071 -6.330 1.00 0.00 H new ATOM 1055 N SER A 67 4.542 -8.621 -3.954 1.00 0.00 N ATOM 1056 CA SER A 67 5.058 -9.698 -3.122 1.00 0.00 C ATOM 1057 C SER A 67 6.393 -10.223 -3.650 1.00 0.00 C ATOM 1058 O SER A 67 6.439 -11.044 -4.570 1.00 0.00 O ATOM 1059 CB SER A 67 4.031 -10.829 -3.007 1.00 0.00 C ATOM 1060 OG SER A 67 3.542 -11.218 -4.280 1.00 0.00 O ATOM 0 H SER A 67 4.025 -8.923 -4.780 1.00 0.00 H new ATOM 0 HA SER A 67 5.237 -9.294 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.487 -11.687 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.200 -10.505 -2.380 1.00 0.00 H new ATOM 0 HG SER A 67 4.293 -11.320 -4.902 1.00 0.00 H new