USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 612 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 5 LYS NZ :NH3+ -169:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -165:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 GLN :FLIP amide:sc= -1.1! F(o=-1.6,f=-0.83!) USER MOD Set 2.2: A 20 THR OG1 : rot 29:sc= 0.272 USER MOD Single : A 1 MET CE :methyl 145:sc= -1.99 (180deg=-3.92!) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.0677 (180deg=0) USER MOD Single : A 9 SER OG : rot 89:sc= 0.6 USER MOD Single : A 22 MET CE :methyl -153:sc= -3.7! (180deg=-5.95!) USER MOD Single : A 23 CYS SG : rot -54:sc= -0.786! USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -66:sc= 1.13 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0564 USER MOD Single : A 50 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.0087) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -109:sc= 0.561 USER MOD Single : A 59 THR OG1 : rot -160:sc= -0.593 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -1.56 K(o=-1.6,f=-4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 75 HIS : no HD1:sc=-0.00957 X(o=-0.0096,f=-0.076) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.551 7.996 -6.990 1.00 0.00 N ATOM 2 CA MET A 1 -4.559 6.703 -6.256 1.00 0.00 C ATOM 3 C MET A 1 -4.655 6.925 -4.750 1.00 0.00 C ATOM 4 O MET A 1 -4.565 8.056 -4.272 1.00 0.00 O ATOM 5 CB MET A 1 -3.278 5.940 -6.598 1.00 0.00 C ATOM 6 CG MET A 1 -3.422 4.431 -6.487 1.00 0.00 C ATOM 7 SD MET A 1 -2.220 3.544 -7.496 1.00 0.00 S ATOM 8 CE MET A 1 -3.223 2.192 -8.107 1.00 0.00 C ATOM 0 H1 MET A 1 -5.355 8.026 -7.649 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.630 8.781 -6.312 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.663 8.087 -7.523 1.00 0.00 H new ATOM 0 HA MET A 1 -5.432 6.125 -6.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.974 6.194 -7.613 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.480 6.270 -5.934 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.305 4.134 -5.445 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.429 4.142 -6.790 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.917 1.943 -9.123 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.091 1.322 -7.464 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.272 2.488 -8.106 1.00 0.00 H new ATOM 20 N ARG A 2 -4.837 5.838 -4.007 1.00 0.00 N ATOM 21 CA ARG A 2 -4.946 5.914 -2.555 1.00 0.00 C ATOM 22 C ARG A 2 -4.361 4.666 -1.900 1.00 0.00 C ATOM 23 O ARG A 2 -4.188 3.637 -2.552 1.00 0.00 O ATOM 24 CB ARG A 2 -6.408 6.081 -2.136 1.00 0.00 C ATOM 25 CG ARG A 2 -7.226 6.945 -3.086 1.00 0.00 C ATOM 26 CD ARG A 2 -8.714 6.842 -2.794 1.00 0.00 C ATOM 27 NE ARG A 2 -9.241 8.069 -2.202 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.537 8.373 -2.155 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.439 7.542 -2.663 1.00 0.00 N ATOM 30 NH2 ARG A 2 -10.930 9.509 -1.599 1.00 0.00 N ATOM 0 H ARG A 2 -4.912 4.894 -4.387 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.378 6.782 -2.221 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.871 5.097 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.442 6.521 -1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.908 7.984 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.034 6.638 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.251 6.625 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.894 6.007 -2.117 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.578 8.732 -1.801 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.141 6.666 -3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.430 7.780 -2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.240 10.150 -1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.922 9.743 -1.563 1.00 0.00 H new ATOM 44 N ILE A 3 -4.064 4.762 -0.609 1.00 0.00 N ATOM 45 CA ILE A 3 -3.503 3.640 0.136 1.00 0.00 C ATOM 46 C ILE A 3 -4.400 2.410 0.043 1.00 0.00 C ATOM 47 O ILE A 3 -3.935 1.280 0.189 1.00 0.00 O ATOM 48 CB ILE A 3 -3.289 4.006 1.616 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.600 2.854 2.360 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.611 4.385 2.272 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.538 1.765 2.845 1.00 0.00 C ATOM 0 H ILE A 3 -4.203 5.607 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.538 3.408 -0.315 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.634 4.875 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.855 2.407 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.064 3.262 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.438 4.640 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.041 5.243 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.301 3.543 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.965 0.993 3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.268 2.193 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.056 1.325 1.993 1.00 0.00 H new ATOM 63 N ASP A 4 -5.686 2.634 -0.200 1.00 0.00 N ATOM 64 CA ASP A 4 -6.639 1.537 -0.310 1.00 0.00 C ATOM 65 C ASP A 4 -6.521 0.845 -1.665 1.00 0.00 C ATOM 66 O ASP A 4 -6.489 -0.378 -1.742 1.00 0.00 O ATOM 67 CB ASP A 4 -8.066 2.046 -0.105 1.00 0.00 C ATOM 68 CG ASP A 4 -8.454 3.111 -1.112 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.756 2.751 -2.269 1.00 0.00 O ATOM 70 OD2 ASP A 4 -8.455 4.303 -0.743 1.00 0.00 O ATOM 0 H ASP A 4 -6.091 3.562 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.407 0.811 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.761 1.209 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.162 2.451 0.902 1.00 0.00 H new ATOM 75 N LYS A 5 -6.467 1.634 -2.732 1.00 0.00 N ATOM 76 CA LYS A 5 -6.360 1.090 -4.084 1.00 0.00 C ATOM 77 C LYS A 5 -4.902 0.931 -4.527 1.00 0.00 C ATOM 78 O LYS A 5 -4.634 0.431 -5.620 1.00 0.00 O ATOM 79 CB LYS A 5 -7.103 1.991 -5.070 1.00 0.00 C ATOM 80 CG LYS A 5 -7.731 1.239 -6.230 1.00 0.00 C ATOM 81 CD LYS A 5 -8.317 2.191 -7.260 1.00 0.00 C ATOM 82 CE LYS A 5 -9.690 2.690 -6.841 1.00 0.00 C ATOM 83 NZ LYS A 5 -10.785 1.884 -7.450 1.00 0.00 N ATOM 0 H LYS A 5 -6.495 2.653 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.813 0.099 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.883 2.534 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.409 2.734 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.980 0.606 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.514 0.579 -5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.646 3.039 -7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.391 1.686 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.773 2.653 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.802 3.734 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.696 2.362 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.616 1.784 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.809 0.942 -7.010 1.00 0.00 H new ATOM 97 N PHE A 6 -3.965 1.382 -3.696 1.00 0.00 N ATOM 98 CA PHE A 6 -2.545 1.311 -4.035 1.00 0.00 C ATOM 99 C PHE A 6 -1.925 -0.047 -3.703 1.00 0.00 C ATOM 100 O PHE A 6 -1.564 -0.808 -4.601 1.00 0.00 O ATOM 101 CB PHE A 6 -1.777 2.417 -3.309 1.00 0.00 C ATOM 102 CG PHE A 6 -0.317 2.465 -3.661 1.00 0.00 C ATOM 103 CD1 PHE A 6 0.119 3.182 -4.764 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.619 1.792 -2.892 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.460 3.227 -5.092 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.962 1.834 -3.214 1.00 0.00 C ATOM 107 CZ PHE A 6 2.383 2.552 -4.317 1.00 0.00 C ATOM 0 H PHE A 6 -4.162 1.799 -2.786 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.470 1.447 -5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.231 3.379 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.878 2.273 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.598 3.712 -5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.295 1.228 -2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.787 3.790 -5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.681 1.307 -2.605 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.432 2.585 -4.573 1.00 0.00 H new ATOM 117 N LEU A 7 -1.778 -0.334 -2.414 1.00 0.00 N ATOM 118 CA LEU A 7 -1.171 -1.589 -1.973 1.00 0.00 C ATOM 119 C LEU A 7 -2.123 -2.768 -2.128 1.00 0.00 C ATOM 120 O LEU A 7 -1.714 -3.923 -2.021 1.00 0.00 O ATOM 121 CB LEU A 7 -0.712 -1.472 -0.518 1.00 0.00 C ATOM 122 CG LEU A 7 -1.808 -1.120 0.487 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.622 -2.354 0.846 1.00 0.00 C ATOM 124 CD2 LEU A 7 -1.202 -0.500 1.738 1.00 0.00 C ATOM 0 H LEU A 7 -2.070 0.283 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.308 -1.777 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.259 -2.418 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.068 -0.713 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.475 -0.391 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.397 -2.083 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.085 -2.759 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.968 -3.106 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.996 -0.255 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.513 -1.208 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.662 0.408 1.469 1.00 0.00 H new ATOM 136 N GLN A 8 -3.390 -2.476 -2.376 1.00 0.00 N ATOM 137 CA GLN A 8 -4.391 -3.519 -2.541 1.00 0.00 C ATOM 138 C GLN A 8 -4.505 -3.941 -4.003 1.00 0.00 C ATOM 139 O GLN A 8 -4.821 -5.092 -4.304 1.00 0.00 O ATOM 140 CB GLN A 8 -5.738 -3.023 -2.031 1.00 0.00 C ATOM 141 CG GLN A 8 -5.717 -2.619 -0.564 1.00 0.00 C ATOM 142 CD GLN A 8 -7.107 -2.469 0.020 1.00 0.00 C ATOM 143 OE1 GLN A 8 -7.267 -2.870 1.276 1.00 0.00 O flip ATOM 144 NE2 GLN A 8 -8.027 -1.996 -0.648 1.00 0.00 N flip ATOM 0 H GLN A 8 -3.750 -1.526 -2.467 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.083 -4.389 -1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.053 -2.169 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.483 -3.806 -2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.166 -3.366 0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.179 -1.677 -0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.859 -1.701 -1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.957 -1.900 -0.240 1.00 0.00 H new ATOM 153 N SER A 9 -4.248 -3.001 -4.907 1.00 0.00 N ATOM 154 CA SER A 9 -4.323 -3.274 -6.338 1.00 0.00 C ATOM 155 C SER A 9 -3.077 -4.012 -6.821 1.00 0.00 C ATOM 156 O SER A 9 -3.148 -4.835 -7.735 1.00 0.00 O ATOM 157 CB SER A 9 -4.490 -1.969 -7.118 1.00 0.00 C ATOM 158 OG SER A 9 -5.767 -1.399 -6.889 1.00 0.00 O ATOM 0 H SER A 9 -3.986 -2.043 -4.674 1.00 0.00 H new ATOM 0 HA SER A 9 -5.190 -3.911 -6.515 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.714 -1.263 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.358 -2.159 -8.183 1.00 0.00 H new ATOM 0 HG SER A 9 -5.728 -0.814 -6.104 1.00 0.00 H new ATOM 164 N VAL A 10 -1.939 -3.712 -6.204 1.00 0.00 N ATOM 165 CA VAL A 10 -0.679 -4.348 -6.574 1.00 0.00 C ATOM 166 C VAL A 10 -0.759 -5.863 -6.420 1.00 0.00 C ATOM 167 O VAL A 10 -0.133 -6.607 -7.174 1.00 0.00 O ATOM 168 CB VAL A 10 0.489 -3.818 -5.722 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.778 -2.363 -6.055 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.189 -3.984 -4.240 1.00 0.00 C ATOM 0 H VAL A 10 -1.863 -3.033 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.498 -4.102 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 10 1.378 -4.403 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.606 -2.007 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.043 -2.277 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.108 -1.761 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.026 -3.604 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.713 -3.427 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.039 -5.040 -4.015 1.00 0.00 H new ATOM 180 N GLY A 11 -1.534 -6.313 -5.439 1.00 0.00 N ATOM 181 CA GLY A 11 -1.683 -7.739 -5.204 1.00 0.00 C ATOM 182 C GLY A 11 -1.137 -8.167 -3.856 1.00 0.00 C ATOM 183 O GLY A 11 -0.681 -9.300 -3.695 1.00 0.00 O ATOM 0 H GLY A 11 -2.062 -5.716 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.738 -8.006 -5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.168 -8.289 -5.992 1.00 0.00 H new ATOM 187 N LEU A 12 -1.183 -7.261 -2.885 1.00 0.00 N ATOM 188 CA LEU A 12 -0.691 -7.551 -1.544 1.00 0.00 C ATOM 189 C LEU A 12 -1.846 -7.882 -0.604 1.00 0.00 C ATOM 190 O LEU A 12 -1.778 -8.835 0.171 1.00 0.00 O ATOM 191 CB LEU A 12 0.098 -6.357 -1.004 1.00 0.00 C ATOM 192 CG LEU A 12 1.620 -6.485 -1.107 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.252 -5.126 -1.370 1.00 0.00 C ATOM 194 CD2 LEU A 12 2.190 -7.104 0.160 1.00 0.00 C ATOM 0 H LEU A 12 -1.556 -6.319 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.033 -8.418 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.213 -5.462 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.169 -6.208 0.042 1.00 0.00 H new ATOM 0 HG LEU A 12 1.855 -7.141 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.334 -5.235 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.867 -4.720 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.008 -4.447 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.273 -7.187 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.945 -6.474 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.761 -8.095 0.306 1.00 0.00 H new ATOM 206 N VAL A 13 -2.907 -7.084 -0.680 1.00 0.00 N ATOM 207 CA VAL A 13 -4.080 -7.286 0.163 1.00 0.00 C ATOM 208 C VAL A 13 -4.668 -8.682 -0.034 1.00 0.00 C ATOM 209 O VAL A 13 -4.683 -9.208 -1.145 1.00 0.00 O ATOM 210 CB VAL A 13 -5.166 -6.231 -0.131 1.00 0.00 C ATOM 211 CG1 VAL A 13 -5.711 -6.391 -1.543 1.00 0.00 C ATOM 212 CG2 VAL A 13 -6.287 -6.313 0.895 1.00 0.00 C ATOM 0 H VAL A 13 -2.978 -6.291 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.752 -7.181 1.197 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.709 -5.244 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.475 -5.636 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.901 -6.269 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.148 -7.383 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.043 -5.560 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.740 -7.304 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.882 -6.134 1.891 1.00 0.00 H new ATOM 337 N THR A 20 -11.075 -3.477 3.123 1.00 0.00 N ATOM 338 CA THR A 20 -9.874 -2.858 3.669 1.00 0.00 C ATOM 339 C THR A 20 -9.909 -2.853 5.193 1.00 0.00 C ATOM 340 O THR A 20 -10.240 -1.844 5.814 1.00 0.00 O ATOM 341 CB THR A 20 -9.728 -1.427 3.146 1.00 0.00 C ATOM 342 OG1 THR A 20 -9.740 -1.408 1.730 1.00 0.00 O ATOM 343 CG2 THR A 20 -8.457 -0.749 3.605 1.00 0.00 C ATOM 0 HA THR A 20 -9.015 -3.445 3.345 1.00 0.00 H new ATOM 0 HB THR A 20 -10.578 -0.881 3.555 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.275 -2.158 1.397 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.417 0.262 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.442 -0.703 4.694 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.595 -1.316 3.254 1.00 0.00 H new ATOM 351 N ASP A 21 -9.566 -3.990 5.790 1.00 0.00 N ATOM 352 CA ASP A 21 -9.557 -4.120 7.243 1.00 0.00 C ATOM 353 C ASP A 21 -8.310 -3.476 7.847 1.00 0.00 C ATOM 354 O ASP A 21 -8.276 -3.168 9.038 1.00 0.00 O ATOM 355 CB ASP A 21 -9.632 -5.595 7.644 1.00 0.00 C ATOM 356 CG ASP A 21 -10.773 -5.877 8.602 1.00 0.00 C ATOM 357 OD1 ASP A 21 -11.906 -5.430 8.323 1.00 0.00 O ATOM 358 OD2 ASP A 21 -10.535 -6.545 9.629 1.00 0.00 O ATOM 0 H ASP A 21 -9.290 -4.835 5.290 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.432 -3.599 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.753 -6.206 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.691 -5.891 8.107 1.00 0.00 H new ATOM 363 N MET A 22 -7.285 -3.278 7.020 1.00 0.00 N ATOM 364 CA MET A 22 -6.036 -2.674 7.475 1.00 0.00 C ATOM 365 C MET A 22 -6.292 -1.362 8.213 1.00 0.00 C ATOM 366 O MET A 22 -5.617 -1.049 9.193 1.00 0.00 O ATOM 367 CB MET A 22 -5.104 -2.428 6.286 1.00 0.00 C ATOM 368 CG MET A 22 -4.424 -3.689 5.775 1.00 0.00 C ATOM 369 SD MET A 22 -4.476 -3.831 3.978 1.00 0.00 S ATOM 370 CE MET A 22 -4.739 -5.593 3.786 1.00 0.00 C ATOM 0 H MET A 22 -7.296 -3.527 6.031 1.00 0.00 H new ATOM 0 HA MET A 22 -5.561 -3.369 8.168 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.676 -1.979 5.474 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.341 -1.706 6.576 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.385 -3.696 6.106 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.905 -4.561 6.218 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.332 -5.919 2.829 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.238 -6.126 4.594 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.807 -5.807 3.818 1.00 0.00 H new ATOM 380 N CYS A 23 -7.270 -0.600 7.736 1.00 0.00 N ATOM 381 CA CYS A 23 -7.612 0.678 8.352 1.00 0.00 C ATOM 382 C CYS A 23 -8.239 0.470 9.728 1.00 0.00 C ATOM 383 O CYS A 23 -8.111 1.315 10.613 1.00 0.00 O ATOM 384 CB CYS A 23 -8.569 1.463 7.453 1.00 0.00 C ATOM 385 SG CYS A 23 -10.195 0.696 7.253 1.00 0.00 S ATOM 0 H CYS A 23 -7.840 -0.844 6.926 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.692 1.250 8.476 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.700 2.463 7.866 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.112 1.581 6.470 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.049 -0.532 6.851 1.00 0.00 H new ATOM 391 N ASN A 24 -8.919 -0.660 9.899 1.00 0.00 N ATOM 392 CA ASN A 24 -9.567 -0.977 11.166 1.00 0.00 C ATOM 393 C ASN A 24 -8.562 -1.538 12.167 1.00 0.00 C ATOM 394 O ASN A 24 -8.543 -1.141 13.332 1.00 0.00 O ATOM 395 CB ASN A 24 -10.701 -1.980 10.946 1.00 0.00 C ATOM 396 CG ASN A 24 -11.929 -1.654 11.773 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.866 -1.017 11.292 1.00 0.00 O ATOM 398 ND2 ASN A 24 -11.930 -2.090 13.027 1.00 0.00 N ATOM 0 H ASN A 24 -9.035 -1.370 9.176 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.981 -0.055 11.574 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.971 -1.994 9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.351 -2.981 11.199 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.729 -1.900 13.632 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.132 -2.615 13.385 1.00 0.00 H new ATOM 405 N VAL A 25 -7.728 -2.465 11.706 1.00 0.00 N ATOM 406 CA VAL A 25 -6.722 -3.081 12.562 1.00 0.00 C ATOM 407 C VAL A 25 -5.666 -2.066 12.989 1.00 0.00 C ATOM 408 O VAL A 25 -5.206 -2.077 14.130 1.00 0.00 O ATOM 409 CB VAL A 25 -6.029 -4.263 11.857 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.037 -5.355 11.530 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.320 -3.792 10.596 1.00 0.00 C ATOM 0 H VAL A 25 -7.730 -2.806 10.745 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.243 -3.451 13.445 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.282 -4.678 12.534 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.530 -6.181 11.033 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.497 -5.713 12.451 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.808 -4.954 10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.837 -4.641 10.112 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.046 -3.350 9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.568 -3.047 10.858 1.00 0.00 H new ATOM 421 N GLY A 26 -5.288 -1.191 12.063 1.00 0.00 N ATOM 422 CA GLY A 26 -4.288 -0.180 12.361 1.00 0.00 C ATOM 423 C GLY A 26 -3.042 -0.329 11.511 1.00 0.00 C ATOM 424 O GLY A 26 -1.931 -0.083 11.979 1.00 0.00 O ATOM 0 H GLY A 26 -5.655 -1.163 11.112 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.717 0.809 12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.015 -0.243 13.414 1.00 0.00 H new ATOM 428 N ALA A 27 -3.228 -0.734 10.259 1.00 0.00 N ATOM 429 CA ALA A 27 -2.110 -0.917 9.341 1.00 0.00 C ATOM 430 C ALA A 27 -1.927 0.305 8.448 1.00 0.00 C ATOM 431 O ALA A 27 -0.809 0.782 8.252 1.00 0.00 O ATOM 432 CB ALA A 27 -2.321 -2.164 8.495 1.00 0.00 C ATOM 0 H ALA A 27 -4.142 -0.942 9.857 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.203 -1.041 9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.479 -2.289 7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.394 -3.036 9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.241 -2.062 7.919 1.00 0.00 H new ATOM 438 N VAL A 28 -3.033 0.808 7.909 1.00 0.00 N ATOM 439 CA VAL A 28 -2.997 1.974 7.035 1.00 0.00 C ATOM 440 C VAL A 28 -2.357 3.168 7.736 1.00 0.00 C ATOM 441 O VAL A 28 -2.919 3.720 8.682 1.00 0.00 O ATOM 442 CB VAL A 28 -4.411 2.366 6.565 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.348 3.495 5.547 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.137 1.158 5.990 1.00 0.00 C ATOM 0 H VAL A 28 -3.966 0.425 8.063 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.396 1.701 6.168 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.972 2.722 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.358 3.755 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.874 4.366 5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.767 3.173 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.134 1.454 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.577 0.768 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.220 0.386 6.755 1.00 0.00 H new ATOM 454 N TRP A 29 -1.180 3.564 7.263 1.00 0.00 N ATOM 455 CA TRP A 29 -0.465 4.694 7.841 1.00 0.00 C ATOM 456 C TRP A 29 0.287 5.468 6.764 1.00 0.00 C ATOM 457 O TRP A 29 1.235 4.959 6.168 1.00 0.00 O ATOM 458 CB TRP A 29 0.511 4.210 8.916 1.00 0.00 C ATOM 459 CG TRP A 29 -0.112 4.082 10.271 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.080 3.195 10.648 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.188 4.866 11.431 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.400 3.380 11.972 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.635 4.400 12.475 1.00 0.00 C ATOM 464 CE3 TRP A 29 1.074 5.917 11.690 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.598 4.949 13.754 1.00 0.00 C ATOM 466 CZ3 TRP A 29 1.109 6.460 12.960 1.00 0.00 C ATOM 467 CH2 TRP A 29 0.279 5.976 13.978 1.00 0.00 C ATOM 0 H TRP A 29 -0.701 3.118 6.480 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.196 5.361 8.299 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.917 3.243 8.618 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.349 4.904 8.974 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.528 2.456 10.000 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.094 2.845 12.495 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.719 6.297 10.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.238 4.578 14.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.789 7.272 13.171 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.332 6.422 14.960 1.00 0.00 H new ATOM 478 N LEU A 30 -0.144 6.701 6.520 1.00 0.00 N ATOM 479 CA LEU A 30 0.486 7.546 5.513 1.00 0.00 C ATOM 480 C LEU A 30 1.235 8.704 6.165 1.00 0.00 C ATOM 481 O LEU A 30 0.707 9.379 7.050 1.00 0.00 O ATOM 482 CB LEU A 30 -0.564 8.086 4.540 1.00 0.00 C ATOM 483 CG LEU A 30 -0.025 9.035 3.467 1.00 0.00 C ATOM 484 CD1 LEU A 30 0.997 8.326 2.591 1.00 0.00 C ATOM 485 CD2 LEU A 30 -1.165 9.583 2.621 1.00 0.00 C ATOM 0 H LEU A 30 -0.927 7.137 7.006 1.00 0.00 H new ATOM 0 HA LEU A 30 1.203 6.938 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.049 7.243 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.333 8.607 5.111 1.00 0.00 H new ATOM 0 HG LEU A 30 0.469 9.870 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.369 9.017 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.827 7.981 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.528 7.472 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.765 10.256 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.687 8.758 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.862 10.128 3.258 1.00 0.00 H new ATOM 497 N ASN A 31 2.467 8.932 5.721 1.00 0.00 N ATOM 498 CA ASN A 31 3.288 10.009 6.259 1.00 0.00 C ATOM 499 C ASN A 31 3.514 9.827 7.757 1.00 0.00 C ATOM 500 O ASN A 31 3.618 10.801 8.503 1.00 0.00 O ATOM 501 CB ASN A 31 2.628 11.364 5.990 1.00 0.00 C ATOM 502 CG ASN A 31 3.617 12.400 5.492 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.403 12.947 6.265 1.00 0.00 O ATOM 504 ND2 ASN A 31 3.582 12.673 4.192 1.00 0.00 N ATOM 0 H ASN A 31 2.919 8.384 4.989 1.00 0.00 H new ATOM 0 HA ASN A 31 4.256 9.978 5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.835 11.239 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.158 11.724 6.905 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.224 13.361 3.798 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.913 12.195 3.588 1.00 0.00 H new ATOM 511 N GLY A 32 3.591 8.572 8.191 1.00 0.00 N ATOM 512 CA GLY A 32 3.805 8.285 9.597 1.00 0.00 C ATOM 513 C GLY A 32 2.596 8.617 10.450 1.00 0.00 C ATOM 514 O GLY A 32 2.729 8.921 11.635 1.00 0.00 O ATOM 0 H GLY A 32 3.509 7.749 7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.050 7.230 9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.664 8.854 9.954 1.00 0.00 H new ATOM 518 N SER A 33 1.414 8.558 9.846 1.00 0.00 N ATOM 519 CA SER A 33 0.177 8.854 10.559 1.00 0.00 C ATOM 520 C SER A 33 -0.915 7.854 10.195 1.00 0.00 C ATOM 521 O SER A 33 -1.027 7.436 9.042 1.00 0.00 O ATOM 522 CB SER A 33 -0.292 10.275 10.240 1.00 0.00 C ATOM 523 OG SER A 33 -0.651 10.400 8.874 1.00 0.00 O ATOM 0 H SER A 33 1.287 8.308 8.865 1.00 0.00 H new ATOM 0 HA SER A 33 0.376 8.774 11.628 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.146 10.529 10.868 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.501 10.985 10.477 1.00 0.00 H new ATOM 0 HG SER A 33 0.146 10.290 8.315 1.00 0.00 H new ATOM 529 N CYS A 34 -1.718 7.474 11.183 1.00 0.00 N ATOM 530 CA CYS A 34 -2.802 6.522 10.966 1.00 0.00 C ATOM 531 C CYS A 34 -3.792 7.051 9.934 1.00 0.00 C ATOM 532 O CYS A 34 -4.351 8.136 10.094 1.00 0.00 O ATOM 533 CB CYS A 34 -3.526 6.232 12.282 1.00 0.00 C ATOM 534 SG CYS A 34 -4.801 4.957 12.156 1.00 0.00 S ATOM 0 H CYS A 34 -1.639 7.811 12.143 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.368 5.597 10.586 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.793 5.925 13.028 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.983 7.153 12.644 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.355 4.781 13.319 1.00 0.00 H new ATOM 540 N ALA A 35 -4.005 6.276 8.875 1.00 0.00 N ATOM 541 CA ALA A 35 -4.929 6.665 7.817 1.00 0.00 C ATOM 542 C ALA A 35 -6.087 5.678 7.710 1.00 0.00 C ATOM 543 O ALA A 35 -6.050 4.598 8.297 1.00 0.00 O ATOM 544 CB ALA A 35 -4.196 6.767 6.488 1.00 0.00 C ATOM 0 H ALA A 35 -3.550 5.375 8.727 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.341 7.642 8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.898 7.058 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.407 7.515 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.757 5.801 6.239 1.00 0.00 H new ATOM 550 N LYS A 36 -7.113 6.058 6.957 1.00 0.00 N ATOM 551 CA LYS A 36 -8.282 5.208 6.773 1.00 0.00 C ATOM 552 C LYS A 36 -8.160 4.390 5.489 1.00 0.00 C ATOM 553 O LYS A 36 -7.075 4.270 4.921 1.00 0.00 O ATOM 554 CB LYS A 36 -9.556 6.059 6.738 1.00 0.00 C ATOM 555 CG LYS A 36 -10.595 5.639 7.766 1.00 0.00 C ATOM 556 CD LYS A 36 -11.782 4.950 7.111 1.00 0.00 C ATOM 557 CE LYS A 36 -13.063 5.181 7.895 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.225 4.195 8.998 1.00 0.00 N ATOM 0 H LYS A 36 -7.158 6.950 6.464 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.340 4.519 7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.291 7.103 6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.996 5.999 5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.138 4.967 8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.939 6.515 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.905 5.323 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.587 3.880 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.059 6.190 8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.917 5.116 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.111 4.387 9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.255 3.234 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.423 4.274 9.655 1.00 0.00 H new ATOM 572 N ALA A 37 -9.278 3.830 5.037 1.00 0.00 N ATOM 573 CA ALA A 37 -9.291 3.026 3.820 1.00 0.00 C ATOM 574 C ALA A 37 -9.706 3.862 2.613 1.00 0.00 C ATOM 575 O ALA A 37 -10.253 3.340 1.641 1.00 0.00 O ATOM 576 CB ALA A 37 -10.222 1.836 3.985 1.00 0.00 C ATOM 0 H ALA A 37 -10.185 3.918 5.495 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.279 2.661 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.222 1.245 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.880 1.219 4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.233 2.190 4.188 1.00 0.00 H new ATOM 582 N SER A 38 -9.443 5.164 2.681 1.00 0.00 N ATOM 583 CA SER A 38 -9.788 6.072 1.593 1.00 0.00 C ATOM 584 C SER A 38 -8.873 7.294 1.593 1.00 0.00 C ATOM 585 O SER A 38 -9.261 8.371 1.142 1.00 0.00 O ATOM 586 CB SER A 38 -11.249 6.513 1.715 1.00 0.00 C ATOM 587 OG SER A 38 -11.920 6.401 0.472 1.00 0.00 O ATOM 0 H SER A 38 -8.992 5.613 3.478 1.00 0.00 H new ATOM 0 HA SER A 38 -9.653 5.540 0.651 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.756 5.902 2.462 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.293 7.545 2.064 1.00 0.00 H new ATOM 0 HG SER A 38 -12.852 6.687 0.576 1.00 0.00 H new ATOM 593 N LYS A 39 -7.658 7.119 2.104 1.00 0.00 N ATOM 594 CA LYS A 39 -6.691 8.209 2.163 1.00 0.00 C ATOM 595 C LYS A 39 -5.895 8.301 0.864 1.00 0.00 C ATOM 596 O LYS A 39 -5.177 7.371 0.498 1.00 0.00 O ATOM 597 CB LYS A 39 -5.744 8.013 3.350 1.00 0.00 C ATOM 598 CG LYS A 39 -5.840 9.116 4.392 1.00 0.00 C ATOM 599 CD LYS A 39 -4.750 10.159 4.201 1.00 0.00 C ATOM 600 CE LYS A 39 -5.236 11.547 4.585 1.00 0.00 C ATOM 601 NZ LYS A 39 -4.844 11.909 5.975 1.00 0.00 N ATOM 0 H LYS A 39 -7.320 6.234 2.483 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.237 9.143 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.962 7.056 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.719 7.960 2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.818 9.594 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.761 8.684 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.882 9.896 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.425 10.161 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.826 12.280 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.321 11.590 4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.195 12.863 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.256 11.225 6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.807 11.893 6.059 1.00 0.00 H new ATOM 615 N GLU A 40 -6.029 9.428 0.173 1.00 0.00 N ATOM 616 CA GLU A 40 -5.323 9.642 -1.086 1.00 0.00 C ATOM 617 C GLU A 40 -3.813 9.598 -0.878 1.00 0.00 C ATOM 618 O GLU A 40 -3.297 10.116 0.113 1.00 0.00 O ATOM 619 CB GLU A 40 -5.726 10.985 -1.696 1.00 0.00 C ATOM 620 CG GLU A 40 -5.563 12.158 -0.744 1.00 0.00 C ATOM 621 CD GLU A 40 -5.028 13.398 -1.432 1.00 0.00 C ATOM 622 OE1 GLU A 40 -4.147 13.257 -2.307 1.00 0.00 O ATOM 623 OE2 GLU A 40 -5.488 14.509 -1.096 1.00 0.00 O ATOM 0 H GLU A 40 -6.620 10.207 0.463 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.600 8.840 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.125 11.165 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.766 10.931 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.526 12.387 -0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.887 11.875 0.063 1.00 0.00 H new ATOM 630 N VAL A 41 -3.110 8.976 -1.819 1.00 0.00 N ATOM 631 CA VAL A 41 -1.659 8.865 -1.740 1.00 0.00 C ATOM 632 C VAL A 41 -0.986 9.620 -2.881 1.00 0.00 C ATOM 633 O VAL A 41 -1.581 9.827 -3.939 1.00 0.00 O ATOM 634 CB VAL A 41 -1.204 7.393 -1.777 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.710 6.646 -0.552 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.673 6.716 -3.058 1.00 0.00 C ATOM 0 H VAL A 41 -3.522 8.541 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.361 9.307 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.114 7.370 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.379 5.608 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.315 7.115 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.799 6.678 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.341 5.678 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.761 6.749 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.253 7.236 -3.919 1.00 0.00 H new ATOM 646 N LYS A 42 0.259 10.031 -2.659 1.00 0.00 N ATOM 647 CA LYS A 42 1.014 10.763 -3.668 1.00 0.00 C ATOM 648 C LYS A 42 2.357 10.090 -3.937 1.00 0.00 C ATOM 649 O LYS A 42 2.854 9.325 -3.111 1.00 0.00 O ATOM 650 CB LYS A 42 1.235 12.209 -3.221 1.00 0.00 C ATOM 651 CG LYS A 42 1.829 13.099 -4.302 1.00 0.00 C ATOM 652 CD LYS A 42 0.889 13.236 -5.491 1.00 0.00 C ATOM 653 CE LYS A 42 0.483 14.684 -5.725 1.00 0.00 C ATOM 654 NZ LYS A 42 1.030 15.216 -7.004 1.00 0.00 N ATOM 0 H LYS A 42 0.766 9.869 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 42 0.435 10.761 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.283 12.630 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.896 12.215 -2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.039 14.085 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.780 12.683 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.374 12.845 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.002 12.631 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.604 14.758 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.836 15.298 -4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.730 16.204 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.069 15.169 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.673 14.646 -7.798 1.00 0.00 H new ATOM 668 N ALA A 43 2.936 10.382 -5.095 1.00 0.00 N ATOM 669 CA ALA A 43 4.222 9.807 -5.471 1.00 0.00 C ATOM 670 C ALA A 43 5.312 10.212 -4.485 1.00 0.00 C ATOM 671 O ALA A 43 5.252 11.286 -3.885 1.00 0.00 O ATOM 672 CB ALA A 43 4.598 10.232 -6.882 1.00 0.00 C ATOM 0 H ALA A 43 2.536 11.013 -5.790 1.00 0.00 H new ATOM 0 HA ALA A 43 4.129 8.721 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.560 9.795 -7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.836 9.887 -7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.667 11.319 -6.928 1.00 0.00 H new ATOM 678 N GLY A 44 6.305 9.347 -4.321 1.00 0.00 N ATOM 679 CA GLY A 44 7.392 9.631 -3.405 1.00 0.00 C ATOM 680 C GLY A 44 6.923 9.739 -1.968 1.00 0.00 C ATOM 681 O GLY A 44 7.515 10.459 -1.165 1.00 0.00 O ATOM 0 H GLY A 44 6.377 8.453 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.143 8.844 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.876 10.563 -3.697 1.00 0.00 H new ATOM 685 N ASP A 45 5.852 9.020 -1.644 1.00 0.00 N ATOM 686 CA ASP A 45 5.299 9.037 -0.294 1.00 0.00 C ATOM 687 C ASP A 45 5.651 7.755 0.454 1.00 0.00 C ATOM 688 O ASP A 45 6.133 6.791 -0.139 1.00 0.00 O ATOM 689 CB ASP A 45 3.781 9.211 -0.345 1.00 0.00 C ATOM 690 CG ASP A 45 3.371 10.623 -0.714 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.949 11.177 -1.672 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.474 11.175 -0.044 1.00 0.00 O ATOM 0 H ASP A 45 5.350 8.419 -2.298 1.00 0.00 H new ATOM 0 HA ASP A 45 5.737 9.880 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.363 8.513 -1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.356 8.955 0.626 1.00 0.00 H new ATOM 697 N THR A 46 5.406 7.752 1.761 1.00 0.00 N ATOM 698 CA THR A 46 5.696 6.590 2.591 1.00 0.00 C ATOM 699 C THR A 46 4.443 5.747 2.807 1.00 0.00 C ATOM 700 O THR A 46 3.326 6.263 2.800 1.00 0.00 O ATOM 701 CB THR A 46 6.265 7.032 3.939 1.00 0.00 C ATOM 702 OG1 THR A 46 7.291 7.993 3.760 1.00 0.00 O ATOM 703 CG2 THR A 46 6.841 5.891 4.748 1.00 0.00 C ATOM 0 H THR A 46 5.007 8.542 2.267 1.00 0.00 H new ATOM 0 HA THR A 46 6.436 5.980 2.073 1.00 0.00 H new ATOM 0 HB THR A 46 5.421 7.453 4.485 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.641 8.264 4.634 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.228 6.274 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.061 5.156 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.650 5.421 4.189 1.00 0.00 H new ATOM 711 N ILE A 47 4.639 4.446 2.999 1.00 0.00 N ATOM 712 CA ILE A 47 3.527 3.530 3.219 1.00 0.00 C ATOM 713 C ILE A 47 3.853 2.533 4.325 1.00 0.00 C ATOM 714 O ILE A 47 4.576 1.561 4.106 1.00 0.00 O ATOM 715 CB ILE A 47 3.174 2.758 1.934 1.00 0.00 C ATOM 716 CG1 ILE A 47 3.012 3.726 0.759 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.904 1.944 2.135 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.856 4.688 0.924 1.00 0.00 C ATOM 0 H ILE A 47 5.558 4.003 3.007 1.00 0.00 H new ATOM 0 HA ILE A 47 2.670 4.134 3.517 1.00 0.00 H new ATOM 0 HB ILE A 47 3.989 2.072 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.934 4.295 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.869 3.152 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.669 1.405 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.053 1.232 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.080 2.612 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.801 5.343 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.926 4.127 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.007 5.288 1.822 1.00 0.00 H new ATOM 730 N SER A 48 3.318 2.782 5.517 1.00 0.00 N ATOM 731 CA SER A 48 3.556 1.907 6.659 1.00 0.00 C ATOM 732 C SER A 48 2.492 0.818 6.744 1.00 0.00 C ATOM 733 O SER A 48 1.369 0.993 6.270 1.00 0.00 O ATOM 734 CB SER A 48 3.574 2.719 7.955 1.00 0.00 C ATOM 735 OG SER A 48 3.438 1.878 9.088 1.00 0.00 O ATOM 0 H SER A 48 2.717 3.582 5.716 1.00 0.00 H new ATOM 0 HA SER A 48 4.527 1.431 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.507 3.279 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.765 3.449 7.941 1.00 0.00 H new ATOM 0 HG SER A 48 3.454 2.422 9.903 1.00 0.00 H new ATOM 741 N LEU A 49 2.854 -0.308 7.351 1.00 0.00 N ATOM 742 CA LEU A 49 1.933 -1.427 7.500 1.00 0.00 C ATOM 743 C LEU A 49 2.088 -2.074 8.873 1.00 0.00 C ATOM 744 O LEU A 49 3.203 -2.263 9.359 1.00 0.00 O ATOM 745 CB LEU A 49 2.173 -2.463 6.398 1.00 0.00 C ATOM 746 CG LEU A 49 1.027 -2.621 5.397 1.00 0.00 C ATOM 747 CD1 LEU A 49 0.675 -1.279 4.773 1.00 0.00 C ATOM 748 CD2 LEU A 49 1.394 -3.632 4.322 1.00 0.00 C ATOM 0 H LEU A 49 3.780 -0.469 7.748 1.00 0.00 H new ATOM 0 HA LEU A 49 0.915 -1.047 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.076 -2.188 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.364 -3.430 6.864 1.00 0.00 H new ATOM 0 HG LEU A 49 0.152 -2.991 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.142 -1.411 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.369 -0.584 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.546 -0.880 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.567 -3.732 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.283 -3.292 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.595 -4.598 4.785 1.00 0.00 H new ATOM 760 N HIS A 50 0.963 -2.410 9.494 1.00 0.00 N ATOM 761 CA HIS A 50 0.975 -3.034 10.812 1.00 0.00 C ATOM 762 C HIS A 50 0.764 -4.541 10.707 1.00 0.00 C ATOM 763 O HIS A 50 -0.085 -5.008 9.947 1.00 0.00 O ATOM 764 CB HIS A 50 -0.105 -2.419 11.702 1.00 0.00 C ATOM 765 CG HIS A 50 -0.046 -2.884 13.124 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.043 -3.632 13.713 1.00 0.00 N ATOM 767 CD2 HIS A 50 0.901 -2.705 14.076 1.00 0.00 C ATOM 768 CE1 HIS A 50 -0.713 -3.892 14.966 1.00 0.00 C ATOM 769 NE2 HIS A 50 0.461 -3.341 15.211 1.00 0.00 N ATOM 0 H HIS A 50 0.031 -2.261 9.106 1.00 0.00 H new ATOM 0 HA HIS A 50 1.952 -2.853 11.259 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.008 -1.334 11.679 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.085 -2.660 11.290 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.829 -2.163 13.963 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.304 -4.459 15.670 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.961 -3.381 16.099 1.00 0.00 H new ATOM 778 N TYR A 51 1.543 -5.297 11.474 1.00 0.00 N ATOM 779 CA TYR A 51 1.441 -6.751 11.469 1.00 0.00 C ATOM 780 C TYR A 51 1.844 -7.327 12.823 1.00 0.00 C ATOM 781 O TYR A 51 2.155 -6.586 13.756 1.00 0.00 O ATOM 782 CB TYR A 51 2.324 -7.338 10.367 1.00 0.00 C ATOM 783 CG TYR A 51 1.684 -7.305 8.997 1.00 0.00 C ATOM 784 CD1 TYR A 51 0.892 -8.357 8.554 1.00 0.00 C ATOM 785 CD2 TYR A 51 1.871 -6.222 8.148 1.00 0.00 C ATOM 786 CE1 TYR A 51 0.305 -8.329 7.302 1.00 0.00 C ATOM 787 CE2 TYR A 51 1.288 -6.186 6.896 1.00 0.00 C ATOM 788 CZ TYR A 51 0.506 -7.242 6.478 1.00 0.00 C ATOM 789 OH TYR A 51 -0.077 -7.213 5.232 1.00 0.00 O ATOM 0 H TYR A 51 2.252 -4.926 12.107 1.00 0.00 H new ATOM 0 HA TYR A 51 0.403 -7.020 11.275 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.264 -6.787 10.333 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.569 -8.370 10.620 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.732 -9.210 9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.483 -5.393 8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.308 -9.155 6.971 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.444 -5.336 6.248 1.00 0.00 H new ATOM 0 HH TYR A 51 0.162 -6.378 4.778 1.00 0.00 H new ATOM 799 N LEU A 52 1.837 -8.651 12.924 1.00 0.00 N ATOM 800 CA LEU A 52 2.203 -9.325 14.164 1.00 0.00 C ATOM 801 C LEU A 52 3.692 -9.650 14.190 1.00 0.00 C ATOM 802 O LEU A 52 4.322 -9.641 15.247 1.00 0.00 O ATOM 803 CB LEU A 52 1.387 -10.609 14.333 1.00 0.00 C ATOM 804 CG LEU A 52 1.331 -11.507 13.095 1.00 0.00 C ATOM 805 CD1 LEU A 52 1.564 -12.962 13.475 1.00 0.00 C ATOM 806 CD2 LEU A 52 -0.004 -11.351 12.381 1.00 0.00 C ATOM 0 H LEU A 52 1.582 -9.279 12.162 1.00 0.00 H new ATOM 0 HA LEU A 52 1.982 -8.650 14.991 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.806 -11.182 15.160 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.369 -10.340 14.615 1.00 0.00 H new ATOM 0 HG LEU A 52 2.125 -11.199 12.414 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.520 -13.583 12.580 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.545 -13.064 13.940 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.794 -13.282 14.177 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.025 -11.997 11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.813 -11.630 13.056 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.132 -10.314 12.071 1.00 0.00 H new ATOM 818 N LYS A 53 4.250 -9.937 13.019 1.00 0.00 N ATOM 819 CA LYS A 53 5.666 -10.264 12.906 1.00 0.00 C ATOM 820 C LYS A 53 6.526 -9.009 13.010 1.00 0.00 C ATOM 821 O LYS A 53 7.644 -9.050 13.525 1.00 0.00 O ATOM 822 CB LYS A 53 5.943 -10.977 11.581 1.00 0.00 C ATOM 823 CG LYS A 53 5.450 -10.210 10.363 1.00 0.00 C ATOM 824 CD LYS A 53 4.522 -11.056 9.505 1.00 0.00 C ATOM 825 CE LYS A 53 5.301 -12.004 8.607 1.00 0.00 C ATOM 826 NZ LYS A 53 4.736 -12.060 7.231 1.00 0.00 N ATOM 0 H LYS A 53 3.743 -9.950 12.134 1.00 0.00 H new ATOM 0 HA LYS A 53 5.925 -10.929 13.730 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.016 -11.144 11.485 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.468 -11.958 11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.927 -9.310 10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.303 -9.886 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.853 -11.629 10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.897 -10.405 8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.342 -11.684 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.294 -13.003 9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.297 -12.717 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.751 -12.390 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.766 -11.112 6.805 1.00 0.00 H new ATOM 840 N GLY A 54 5.998 -7.893 12.518 1.00 0.00 N ATOM 841 CA GLY A 54 6.731 -6.642 12.565 1.00 0.00 C ATOM 842 C GLY A 54 6.120 -5.579 11.673 1.00 0.00 C ATOM 843 O GLY A 54 5.199 -5.858 10.905 1.00 0.00 O ATOM 0 H GLY A 54 5.075 -7.833 12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.758 -6.279 13.592 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.763 -6.817 12.262 1.00 0.00 H new ATOM 847 N ILE A 55 6.635 -4.358 11.772 1.00 0.00 N ATOM 848 CA ILE A 55 6.133 -3.251 10.967 1.00 0.00 C ATOM 849 C ILE A 55 6.977 -3.059 9.711 1.00 0.00 C ATOM 850 O ILE A 55 8.176 -3.338 9.709 1.00 0.00 O ATOM 851 CB ILE A 55 6.117 -1.933 11.766 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.519 -2.158 13.157 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.333 -0.868 11.014 1.00 0.00 C ATOM 854 CD1 ILE A 55 4.121 -2.734 13.127 1.00 0.00 C ATOM 0 H ILE A 55 7.399 -4.110 12.401 1.00 0.00 H new ATOM 0 HA ILE A 55 5.112 -3.506 10.683 1.00 0.00 H new ATOM 0 HB ILE A 55 7.144 -1.587 11.885 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.168 -2.830 13.718 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.501 -1.210 13.694 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.330 0.057 11.591 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.799 -0.690 10.045 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.307 -1.207 10.867 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.760 -2.867 14.147 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.458 -2.053 12.594 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.136 -3.698 12.619 1.00 0.00 H new ATOM 866 N GLU A 56 6.344 -2.579 8.646 1.00 0.00 N ATOM 867 CA GLU A 56 7.038 -2.349 7.385 1.00 0.00 C ATOM 868 C GLU A 56 6.680 -0.983 6.808 1.00 0.00 C ATOM 869 O GLU A 56 5.505 -0.662 6.629 1.00 0.00 O ATOM 870 CB GLU A 56 6.690 -3.447 6.378 1.00 0.00 C ATOM 871 CG GLU A 56 7.048 -4.845 6.854 1.00 0.00 C ATOM 872 CD GLU A 56 7.616 -5.710 5.746 1.00 0.00 C ATOM 873 OE1 GLU A 56 8.276 -5.157 4.841 1.00 0.00 O ATOM 874 OE2 GLU A 56 7.402 -6.939 5.784 1.00 0.00 O ATOM 0 H GLU A 56 5.352 -2.342 8.631 1.00 0.00 H new ATOM 0 HA GLU A 56 8.110 -2.372 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.622 -3.407 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.210 -3.247 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.775 -4.774 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.159 -5.324 7.264 1.00 0.00 H new ATOM 881 N GLU A 57 7.702 -0.184 6.519 1.00 0.00 N ATOM 882 CA GLU A 57 7.497 1.148 5.961 1.00 0.00 C ATOM 883 C GLU A 57 8.010 1.221 4.526 1.00 0.00 C ATOM 884 O GLU A 57 9.215 1.318 4.292 1.00 0.00 O ATOM 885 CB GLU A 57 8.201 2.197 6.822 1.00 0.00 C ATOM 886 CG GLU A 57 7.484 3.536 6.860 1.00 0.00 C ATOM 887 CD GLU A 57 8.426 4.695 7.116 1.00 0.00 C ATOM 888 OE1 GLU A 57 9.544 4.686 6.558 1.00 0.00 O ATOM 889 OE2 GLU A 57 8.047 5.612 7.875 1.00 0.00 O ATOM 0 H GLU A 57 8.680 -0.436 6.662 1.00 0.00 H new ATOM 0 HA GLU A 57 6.426 1.353 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.295 1.816 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.212 2.347 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.968 3.695 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.722 3.514 7.639 1.00 0.00 H new ATOM 896 N TYR A 58 7.088 1.176 3.570 1.00 0.00 N ATOM 897 CA TYR A 58 7.447 1.238 2.158 1.00 0.00 C ATOM 898 C TYR A 58 7.414 2.676 1.651 1.00 0.00 C ATOM 899 O TYR A 58 7.113 3.602 2.402 1.00 0.00 O ATOM 900 CB TYR A 58 6.499 0.369 1.330 1.00 0.00 C ATOM 901 CG TYR A 58 6.433 -1.068 1.793 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.718 -1.420 2.930 1.00 0.00 C ATOM 903 CD2 TYR A 58 7.089 -2.074 1.093 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.656 -2.733 3.357 1.00 0.00 C ATOM 905 CE2 TYR A 58 7.032 -3.389 1.513 1.00 0.00 C ATOM 906 CZ TYR A 58 6.315 -3.713 2.646 1.00 0.00 C ATOM 907 OH TYR A 58 6.256 -5.022 3.067 1.00 0.00 O ATOM 0 H TYR A 58 6.087 1.097 3.747 1.00 0.00 H new ATOM 0 HA TYR A 58 8.463 0.858 2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.499 0.800 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.817 0.392 0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.201 -0.655 3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.652 -1.824 0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.094 -2.990 4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.546 -4.159 0.957 1.00 0.00 H new ATOM 0 HH TYR A 58 7.130 -5.292 3.418 1.00 0.00 H new ATOM 917 N THR A 59 7.725 2.852 0.372 1.00 0.00 N ATOM 918 CA THR A 59 7.732 4.177 -0.238 1.00 0.00 C ATOM 919 C THR A 59 7.248 4.114 -1.683 1.00 0.00 C ATOM 920 O THR A 59 7.762 3.334 -2.485 1.00 0.00 O ATOM 921 CB THR A 59 9.138 4.777 -0.182 1.00 0.00 C ATOM 922 OG1 THR A 59 9.574 4.909 1.159 1.00 0.00 O ATOM 923 CG2 THR A 59 9.235 6.141 -0.832 1.00 0.00 C ATOM 0 H THR A 59 7.976 2.094 -0.263 1.00 0.00 H new ATOM 0 HA THR A 59 7.050 4.814 0.325 1.00 0.00 H new ATOM 0 HB THR A 59 9.769 4.083 -0.737 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.303 5.562 1.203 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.259 6.508 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.953 6.064 -1.882 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.563 6.834 -0.326 1.00 0.00 H new ATOM 931 N ILE A 60 6.261 4.941 -2.010 1.00 0.00 N ATOM 932 CA ILE A 60 5.714 4.980 -3.359 1.00 0.00 C ATOM 933 C ILE A 60 6.656 5.709 -4.310 1.00 0.00 C ATOM 934 O ILE A 60 6.988 6.875 -4.097 1.00 0.00 O ATOM 935 CB ILE A 60 4.338 5.671 -3.388 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.431 5.100 -2.297 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.695 5.514 -4.758 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.090 5.793 -2.202 1.00 0.00 C ATOM 0 H ILE A 60 5.824 5.593 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 60 5.599 3.946 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 60 4.478 6.734 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.270 4.039 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.940 5.177 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.723 6.008 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.336 5.967 -5.515 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.565 4.455 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.500 5.336 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.241 6.849 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.561 5.694 -3.150 1.00 0.00 H new ATOM 950 N LEU A 61 7.085 5.016 -5.357 1.00 0.00 N ATOM 951 CA LEU A 61 7.991 5.598 -6.340 1.00 0.00 C ATOM 952 C LEU A 61 7.227 6.421 -7.375 1.00 0.00 C ATOM 953 O LEU A 61 7.803 7.281 -8.042 1.00 0.00 O ATOM 954 CB LEU A 61 8.792 4.497 -7.039 1.00 0.00 C ATOM 955 CG LEU A 61 9.736 3.706 -6.131 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.564 2.726 -6.947 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.639 4.649 -5.350 1.00 0.00 C ATOM 0 H LEU A 61 6.820 4.050 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 61 8.676 6.262 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.094 3.802 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.377 4.948 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 61 9.135 3.139 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.230 2.172 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.901 2.029 -7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.155 3.273 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.304 4.069 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.232 5.243 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.029 5.311 -4.735 1.00 0.00 H new ATOM 969 N GLN A 62 5.929 6.157 -7.505 1.00 0.00 N ATOM 970 CA GLN A 62 5.098 6.879 -8.462 1.00 0.00 C ATOM 971 C GLN A 62 3.640 6.436 -8.367 1.00 0.00 C ATOM 972 O GLN A 62 3.326 5.434 -7.725 1.00 0.00 O ATOM 973 CB GLN A 62 5.617 6.666 -9.885 1.00 0.00 C ATOM 974 CG GLN A 62 5.662 7.939 -10.714 1.00 0.00 C ATOM 975 CD GLN A 62 5.799 7.665 -12.198 1.00 0.00 C ATOM 976 OE1 GLN A 62 6.791 7.090 -12.646 1.00 0.00 O ATOM 977 NE2 GLN A 62 4.802 8.079 -12.971 1.00 0.00 N ATOM 0 H GLN A 62 5.432 5.451 -6.961 1.00 0.00 H new ATOM 0 HA GLN A 62 5.151 7.940 -8.219 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.618 6.238 -9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.983 5.937 -10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.754 8.515 -10.537 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.499 8.554 -10.383 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.998 8.552 -12.557 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.840 7.924 -13.979 1.00 0.00 H new ATOM 986 N ILE A 63 2.756 7.192 -9.012 1.00 0.00 N ATOM 987 CA ILE A 63 1.331 6.881 -9.002 1.00 0.00 C ATOM 988 C ILE A 63 0.772 6.821 -10.422 1.00 0.00 C ATOM 989 O ILE A 63 0.337 7.835 -10.970 1.00 0.00 O ATOM 990 CB ILE A 63 0.535 7.925 -8.196 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.171 8.134 -6.820 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.917 7.492 -8.054 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.133 6.902 -5.942 1.00 0.00 C ATOM 0 H ILE A 63 3.002 8.024 -9.548 1.00 0.00 H new ATOM 0 HA ILE A 63 1.223 5.905 -8.528 1.00 0.00 H new ATOM 0 HB ILE A 63 0.560 8.872 -8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.208 8.445 -6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.656 8.949 -6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.466 8.240 -7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.365 7.391 -9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.962 6.534 -7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.601 7.124 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.098 6.603 -5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.673 6.091 -6.430 1.00 0.00 H new ATOM 1005 N PRO A 64 0.776 5.627 -11.041 1.00 0.00 N ATOM 1006 CA PRO A 64 0.265 5.443 -12.403 1.00 0.00 C ATOM 1007 C PRO A 64 -1.258 5.516 -12.473 1.00 0.00 C ATOM 1008 O PRO A 64 -1.834 5.597 -13.558 1.00 0.00 O ATOM 1009 CB PRO A 64 0.751 4.041 -12.772 1.00 0.00 C ATOM 1010 CG PRO A 64 0.858 3.327 -11.470 1.00 0.00 C ATOM 1011 CD PRO A 64 1.276 4.365 -10.462 1.00 0.00 C ATOM 0 HA PRO A 64 0.614 6.225 -13.078 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.051 3.542 -13.442 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.712 4.077 -13.285 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.095 2.875 -11.193 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.589 2.520 -11.526 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.839 4.172 -9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.358 4.384 -10.331 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.904 5.486 -11.311 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.359 5.548 -11.245 1.00 0.00 C ATOM 1021 C ALA A 65 -3.993 4.359 -11.960 1.00 0.00 C ATOM 1022 O ALA A 65 -4.831 4.526 -12.846 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.859 6.856 -11.843 1.00 0.00 C ATOM 0 H ALA A 65 -1.443 5.419 -10.404 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.653 5.505 -10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.947 6.889 -11.787 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.441 7.694 -11.285 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.547 6.922 -12.885 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.584 3.156 -11.569 1.00 0.00 N ATOM 1030 CA LEU A 66 -4.111 1.936 -12.173 1.00 0.00 C ATOM 1031 C LEU A 66 -4.995 1.178 -11.188 1.00 0.00 C ATOM 1032 O LEU A 66 -5.101 1.550 -10.020 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.966 1.037 -12.642 1.00 0.00 C ATOM 1034 CG LEU A 66 -1.789 1.769 -13.288 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -0.556 0.880 -13.317 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -2.153 2.225 -14.693 1.00 0.00 C ATOM 0 H LEU A 66 -2.890 2.999 -10.838 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.717 2.221 -13.033 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.596 0.470 -11.787 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.361 0.315 -13.357 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.561 2.650 -12.688 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.270 1.419 -13.780 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.283 0.603 -12.299 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.770 -0.020 -13.893 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.304 2.744 -15.138 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.408 1.358 -15.302 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.008 2.900 -14.646 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.628 0.112 -11.668 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.503 -0.701 -10.830 1.00 0.00 C ATOM 1050 C LYS A 67 -5.930 -2.104 -10.624 1.00 0.00 C ATOM 1051 O LYS A 67 -6.585 -2.970 -10.043 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.895 -0.795 -11.456 1.00 0.00 C ATOM 1053 CG LYS A 67 -9.026 -0.653 -10.448 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.601 -2.006 -10.061 1.00 0.00 C ATOM 1055 CE LYS A 67 -9.915 -2.073 -8.575 1.00 0.00 C ATOM 1056 NZ LYS A 67 -11.122 -1.275 -8.225 1.00 0.00 N ATOM 0 H LYS A 67 -5.551 -0.209 -12.633 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.576 -0.217 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.996 -0.019 -12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.991 -1.754 -11.965 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.659 -0.144 -9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.814 -0.029 -10.869 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.508 -2.194 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.891 -2.792 -10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.070 -3.112 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.060 -1.706 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.159 -1.135 -7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.076 -0.350 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.975 -1.782 -8.536 1.00 0.00 H new ATOM 1070 N ASN A 68 -4.708 -2.325 -11.100 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.058 -3.622 -10.964 1.00 0.00 C ATOM 1072 C ASN A 68 -2.637 -3.579 -11.520 1.00 0.00 C ATOM 1073 O ASN A 68 -2.437 -3.449 -12.727 1.00 0.00 O ATOM 1074 CB ASN A 68 -4.871 -4.703 -11.683 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.645 -5.580 -10.719 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -5.765 -5.267 -9.534 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -6.176 -6.688 -11.224 1.00 0.00 N ATOM 0 H ASN A 68 -4.149 -1.622 -11.583 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.005 -3.865 -9.903 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.565 -4.230 -12.377 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.200 -5.324 -12.277 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.708 -7.318 -10.624 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.052 -6.909 -12.212 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.655 -3.690 -10.631 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.254 -3.663 -11.034 1.00 0.00 C ATOM 1086 C VAL A 69 0.352 -5.065 -11.006 1.00 0.00 C ATOM 1087 O VAL A 69 0.362 -5.723 -9.965 1.00 0.00 O ATOM 1088 CB VAL A 69 0.575 -2.742 -10.120 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.980 -2.563 -10.675 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.115 -1.397 -9.950 1.00 0.00 C ATOM 0 H VAL A 69 -1.804 -3.799 -9.628 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.224 -3.275 -12.052 1.00 0.00 H new ATOM 0 HB VAL A 69 0.654 -3.210 -9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.551 -1.909 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.472 -3.533 -10.739 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.925 -2.118 -11.668 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.485 -0.759 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.228 -0.920 -10.924 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.098 -1.546 -9.503 1.00 0.00 H new ATOM 1100 N PRO A 70 0.869 -5.547 -12.153 1.00 0.00 N ATOM 1101 CA PRO A 70 1.477 -6.880 -12.242 1.00 0.00 C ATOM 1102 C PRO A 70 2.562 -7.094 -11.190 1.00 0.00 C ATOM 1103 O PRO A 70 3.005 -6.148 -10.539 1.00 0.00 O ATOM 1104 CB PRO A 70 2.085 -6.903 -13.647 1.00 0.00 C ATOM 1105 CG PRO A 70 1.286 -5.914 -14.422 1.00 0.00 C ATOM 1106 CD PRO A 70 0.904 -4.838 -13.445 1.00 0.00 C ATOM 0 HA PRO A 70 0.748 -7.671 -12.066 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.140 -6.630 -13.626 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.021 -7.897 -14.090 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.867 -5.504 -15.248 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.401 -6.380 -14.855 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.630 -4.025 -13.438 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.063 -4.399 -13.689 1.00 0.00 H new ATOM 1114 N ARG A 71 2.984 -8.344 -11.030 1.00 0.00 N ATOM 1115 CA ARG A 71 4.016 -8.685 -10.057 1.00 0.00 C ATOM 1116 C ARG A 71 5.397 -8.235 -10.533 1.00 0.00 C ATOM 1117 O ARG A 71 6.343 -8.176 -9.748 1.00 0.00 O ATOM 1118 CB ARG A 71 4.020 -10.192 -9.796 1.00 0.00 C ATOM 1119 CG ARG A 71 4.316 -10.558 -8.350 1.00 0.00 C ATOM 1120 CD ARG A 71 5.750 -11.031 -8.176 1.00 0.00 C ATOM 1121 NE ARG A 71 5.952 -12.375 -8.711 1.00 0.00 N ATOM 1122 CZ ARG A 71 7.147 -12.883 -9.009 1.00 0.00 C ATOM 1123 NH1 ARG A 71 8.246 -12.164 -8.825 1.00 0.00 N ATOM 1124 NH2 ARG A 71 7.241 -14.115 -9.490 1.00 0.00 N ATOM 0 H ARG A 71 2.627 -9.138 -11.562 1.00 0.00 H new ATOM 0 HA ARG A 71 3.788 -8.160 -9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.050 -10.603 -10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.763 -10.662 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.137 -9.693 -7.711 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.632 -11.342 -8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.424 -10.336 -8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.010 -11.019 -7.117 1.00 0.00 H new ATOM 0 HE ARG A 71 5.130 -12.959 -8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.179 -11.216 -8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.158 -12.559 -9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.399 -14.673 -9.632 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.155 -14.505 -9.719 1.00 0.00 H new ATOM 1138 N LYS A 72 5.509 -7.922 -11.822 1.00 0.00 N ATOM 1139 CA LYS A 72 6.778 -7.483 -12.392 1.00 0.00 C ATOM 1140 C LYS A 72 6.918 -5.965 -12.308 1.00 0.00 C ATOM 1141 O LYS A 72 8.027 -5.440 -12.219 1.00 0.00 O ATOM 1142 CB LYS A 72 6.890 -7.938 -13.848 1.00 0.00 C ATOM 1143 CG LYS A 72 7.303 -9.392 -14.001 1.00 0.00 C ATOM 1144 CD LYS A 72 6.572 -10.063 -15.152 1.00 0.00 C ATOM 1145 CE LYS A 72 5.333 -10.801 -14.671 1.00 0.00 C ATOM 1146 NZ LYS A 72 4.367 -11.043 -15.778 1.00 0.00 N ATOM 0 H LYS A 72 4.738 -7.964 -12.489 1.00 0.00 H new ATOM 0 HA LYS A 72 7.584 -7.935 -11.814 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.930 -7.788 -14.342 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.615 -7.307 -14.362 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.378 -9.450 -14.169 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.096 -9.929 -13.075 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.287 -9.313 -15.890 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.242 -10.762 -15.652 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.626 -11.754 -14.230 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.848 -10.222 -13.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.536 -11.548 -15.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.067 -10.133 -16.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.822 -11.617 -16.516 1.00 0.00 H new ATOM 1160 N ASP A 73 5.787 -5.267 -12.340 1.00 0.00 N ATOM 1161 CA ASP A 73 5.787 -3.809 -12.269 1.00 0.00 C ATOM 1162 C ASP A 73 5.601 -3.326 -10.833 1.00 0.00 C ATOM 1163 O ASP A 73 5.973 -2.203 -10.493 1.00 0.00 O ATOM 1164 CB ASP A 73 4.682 -3.236 -13.158 1.00 0.00 C ATOM 1165 CG ASP A 73 5.046 -3.270 -14.628 1.00 0.00 C ATOM 1166 OD1 ASP A 73 4.967 -4.358 -15.236 1.00 0.00 O ATOM 1167 OD2 ASP A 73 5.411 -2.208 -15.174 1.00 0.00 O ATOM 0 H ASP A 73 4.860 -5.686 -12.414 1.00 0.00 H new ATOM 0 HA ASP A 73 6.755 -3.456 -12.625 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.764 -3.802 -13.001 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.478 -2.207 -12.861 1.00 0.00 H new ATOM 1172 N THR A 74 5.022 -4.180 -9.992 1.00 0.00 N ATOM 1173 CA THR A 74 4.787 -3.835 -8.593 1.00 0.00 C ATOM 1174 C THR A 74 6.091 -3.472 -7.884 1.00 0.00 C ATOM 1175 O THR A 74 6.077 -2.808 -6.848 1.00 0.00 O ATOM 1176 CB THR A 74 4.106 -4.997 -7.869 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.760 -4.630 -6.546 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.965 -6.240 -7.791 1.00 0.00 C ATOM 0 H THR A 74 4.708 -5.114 -10.255 1.00 0.00 H new ATOM 0 HA THR A 74 4.133 -2.963 -8.569 1.00 0.00 H new ATOM 0 HB THR A 74 3.219 -5.225 -8.460 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.324 -5.386 -6.100 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.422 -7.025 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.208 -6.578 -8.798 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.885 -6.013 -7.253 1.00 0.00 H new ATOM 1186 N HIS A 75 7.215 -3.913 -8.443 1.00 0.00 N ATOM 1187 CA HIS A 75 8.521 -3.632 -7.855 1.00 0.00 C ATOM 1188 C HIS A 75 9.108 -2.327 -8.395 1.00 0.00 C ATOM 1189 O HIS A 75 10.300 -2.063 -8.231 1.00 0.00 O ATOM 1190 CB HIS A 75 9.485 -4.787 -8.133 1.00 0.00 C ATOM 1191 CG HIS A 75 9.120 -6.053 -7.421 1.00 0.00 C ATOM 1192 ND1 HIS A 75 8.752 -6.091 -6.093 1.00 0.00 N ATOM 1193 CD2 HIS A 75 9.066 -7.332 -7.861 1.00 0.00 C ATOM 1194 CE1 HIS A 75 8.491 -7.339 -5.746 1.00 0.00 C ATOM 1195 NE2 HIS A 75 8.672 -8.111 -6.800 1.00 0.00 N ATOM 0 H HIS A 75 7.248 -4.465 -9.300 1.00 0.00 H new ATOM 0 HA HIS A 75 8.384 -3.524 -6.779 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.512 -4.977 -9.206 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.491 -4.490 -7.837 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.291 -7.676 -8.860 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.182 -7.671 -4.766 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.541 -9.122 -6.824 1.00 0.00 H new ATOM 1204 N LEU A 76 8.273 -1.514 -9.036 1.00 0.00 N ATOM 1205 CA LEU A 76 8.723 -0.241 -9.592 1.00 0.00 C ATOM 1206 C LEU A 76 7.844 0.919 -9.116 1.00 0.00 C ATOM 1207 O LEU A 76 8.051 2.065 -9.516 1.00 0.00 O ATOM 1208 CB LEU A 76 8.723 -0.303 -11.121 1.00 0.00 C ATOM 1209 CG LEU A 76 10.097 -0.509 -11.760 1.00 0.00 C ATOM 1210 CD1 LEU A 76 9.963 -1.218 -13.099 1.00 0.00 C ATOM 1211 CD2 LEU A 76 10.809 0.825 -11.931 1.00 0.00 C ATOM 0 H LEU A 76 7.283 -1.713 -9.183 1.00 0.00 H new ATOM 0 HA LEU A 76 9.738 -0.063 -9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.067 -1.114 -11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.295 0.622 -11.507 1.00 0.00 H new ATOM 0 HG LEU A 76 10.694 -1.137 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.951 -1.356 -13.538 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.493 -2.190 -12.950 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.349 -0.617 -13.769 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.785 0.661 -12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.214 1.475 -12.572 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.938 1.296 -10.957 1.00 0.00 H new ATOM 1223 N TYR A 77 6.864 0.620 -8.267 1.00 0.00 N ATOM 1224 CA TYR A 77 5.963 1.645 -7.751 1.00 0.00 C ATOM 1225 C TYR A 77 6.085 1.782 -6.234 1.00 0.00 C ATOM 1226 O TYR A 77 5.735 2.816 -5.667 1.00 0.00 O ATOM 1227 CB TYR A 77 4.518 1.317 -8.131 1.00 0.00 C ATOM 1228 CG TYR A 77 4.248 1.409 -9.616 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.336 2.624 -10.283 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.908 0.279 -10.350 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.091 2.712 -11.640 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.663 0.359 -11.708 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.755 1.578 -12.348 1.00 0.00 C ATOM 1234 OH TYR A 77 3.511 1.661 -13.699 1.00 0.00 O ATOM 0 H TYR A 77 6.674 -0.321 -7.923 1.00 0.00 H new ATOM 0 HA TYR A 77 6.247 2.596 -8.200 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.281 0.310 -7.789 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.849 1.998 -7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.600 3.515 -9.732 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.834 -0.676 -9.852 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.162 3.665 -12.144 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.401 -0.528 -12.265 1.00 0.00 H new ATOM 0 HH TYR A 77 3.289 0.772 -14.046 1.00 0.00 H new ATOM 1244 N ILE A 78 6.582 0.735 -5.581 1.00 0.00 N ATOM 1245 CA ILE A 78 6.748 0.748 -4.133 1.00 0.00 C ATOM 1246 C ILE A 78 7.909 -0.146 -3.707 1.00 0.00 C ATOM 1247 O ILE A 78 8.079 -1.249 -4.226 1.00 0.00 O ATOM 1248 CB ILE A 78 5.462 0.288 -3.416 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.629 0.389 -1.897 1.00 0.00 C ATOM 1250 CG2 ILE A 78 5.106 -1.133 -3.823 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.377 0.031 -1.127 1.00 0.00 C ATOM 0 H ILE A 78 6.876 -0.131 -6.032 1.00 0.00 H new ATOM 0 HA ILE A 78 6.963 1.777 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 78 4.645 0.945 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.439 -0.270 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.927 1.405 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.196 -1.442 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.945 -1.173 -4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.921 -1.804 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.568 0.125 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.569 0.705 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.090 -0.995 -1.356 1.00 0.00 H new ATOM 1263 N ALA A 79 8.706 0.338 -2.760 1.00 0.00 N ATOM 1264 CA ALA A 79 9.851 -0.418 -2.268 1.00 0.00 C ATOM 1265 C ALA A 79 10.061 -0.188 -0.772 1.00 0.00 C ATOM 1266 O ALA A 79 9.937 0.936 -0.287 1.00 0.00 O ATOM 1267 CB ALA A 79 11.104 -0.035 -3.042 1.00 0.00 C ATOM 0 H ALA A 79 8.580 1.249 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 79 9.649 -1.478 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.953 -0.606 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.959 -0.254 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.298 1.030 -2.915 1.00 0.00 H new ATOM 1273 N PRO A 80 10.387 -1.254 -0.015 1.00 0.00 N ATOM 1274 CA PRO A 80 10.615 -1.152 1.430 1.00 0.00 C ATOM 1275 C PRO A 80 11.710 -0.149 1.772 1.00 0.00 C ATOM 1276 O PRO A 80 12.888 -0.385 1.502 1.00 0.00 O ATOM 1277 CB PRO A 80 11.046 -2.567 1.832 1.00 0.00 C ATOM 1278 CG PRO A 80 10.520 -3.450 0.755 1.00 0.00 C ATOM 1279 CD PRO A 80 10.559 -2.633 -0.505 1.00 0.00 C ATOM 0 HA PRO A 80 9.727 -0.800 1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.131 -2.642 1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.637 -2.843 2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.128 -4.349 0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.504 -3.775 0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.502 -2.757 -1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.764 -2.918 -1.195 1.00 0.00 H new ATOM 1287 N LYS A 81 11.316 0.973 2.364 1.00 0.00 N ATOM 1288 CA LYS A 81 12.266 2.014 2.740 1.00 0.00 C ATOM 1289 C LYS A 81 12.557 1.970 4.238 1.00 0.00 C ATOM 1290 O LYS A 81 11.678 1.656 5.041 1.00 0.00 O ATOM 1291 CB LYS A 81 11.726 3.392 2.355 1.00 0.00 C ATOM 1292 CG LYS A 81 12.683 4.530 2.670 1.00 0.00 C ATOM 1293 CD LYS A 81 13.058 5.312 1.419 1.00 0.00 C ATOM 1294 CE LYS A 81 13.030 6.811 1.669 1.00 0.00 C ATOM 1295 NZ LYS A 81 12.880 7.582 0.404 1.00 0.00 N ATOM 0 H LYS A 81 10.345 1.185 2.594 1.00 0.00 H new ATOM 0 HA LYS A 81 13.196 1.833 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.503 3.401 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.786 3.564 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.224 5.202 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.585 4.130 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.054 5.016 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.368 5.064 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.206 7.052 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.949 7.113 2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.229 8.551 0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.429 7.122 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.877 7.612 0.132 1.00 0.00 H new