USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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 109 LYS NZ :NH3+ -163:sc= 2.17 (180deg=1.25) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.35 K(o=4.5,f=-3.5) USER MOD Set 2.1: A 92 GLN : amide:sc= 0.475 K(o=0.48,f=-5.6!) USER MOD Set 2.2: A 95 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 56 ASN : amide:sc= -0.033 X(o=-0.16,f=-0.12) USER MOD Set 3.2: A 71 ASN : amide:sc= -0.125 X(o=-0.16,f=-0.63) USER MOD Set 4.1: A 55 SER OG : rot 171:sc= 0.37 USER MOD Set 4.2: A 57 THR OG1 : rot -48:sc= 0.411 USER MOD Single : A 64 ASN : amide:sc=-0.00357 K(o=-0.0036,f=-1.7) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.16) USER MOD Single : A 66 GLN : amide:sc= 0.127 K(o=0.13,f=-4.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -8.42! K(o=-8.4!,f=-6.8) USER MOD Single : A 81 CYS SG : rot -20:sc= -0.318 USER MOD Single : A 83 MET CE :methyl -147:sc= -0.266 (180deg=-0.978) USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= 1.32 (180deg=-0.363) USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= 0.766 (180deg=-0.559) USER MOD Single : A 96 CYS SG : rot 124:sc= 0.0348 USER MOD Single : A 103 HIS : no HD1:sc= -0.755 K(o=1.8,f=-13!) USER MOD Single : A 105 HIS : no HE2:sc= -6.92! C(o=-6.9!,f=-6.6!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.0418 X(o=0.042,f=0) USER MOD Single : A 116 THR OG1 : rot -140:sc= -0.503 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -13.010 7.515 2.227 1.00 0.00 N ATOM 2 CA SER A 55 -12.727 6.802 0.979 1.00 0.00 C ATOM 3 C SER A 55 -12.832 5.325 1.190 1.00 0.00 C ATOM 4 O SER A 55 -13.120 4.854 2.289 1.00 0.00 O ATOM 5 CB SER A 55 -11.297 7.112 0.498 1.00 0.00 C ATOM 6 OG SER A 55 -11.162 6.802 -0.886 1.00 0.00 O ATOM 0 HA SER A 55 -13.454 7.129 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.070 8.165 0.665 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.578 6.535 1.079 1.00 0.00 H new ATOM 0 HG SER A 55 -10.301 7.136 -1.214 1.00 0.00 H new ATOM 14 N ASN A 56 -12.601 4.561 0.109 1.00 0.00 N ATOM 15 CA ASN A 56 -12.471 3.139 0.220 1.00 0.00 C ATOM 16 C ASN A 56 -11.385 2.735 -0.727 1.00 0.00 C ATOM 17 O ASN A 56 -11.318 1.591 -1.178 1.00 0.00 O ATOM 18 CB ASN A 56 -13.765 2.360 -0.055 1.00 0.00 C ATOM 19 CG ASN A 56 -14.326 2.796 -1.404 1.00 0.00 C ATOM 20 OD1 ASN A 56 -15.142 3.714 -1.486 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.884 2.111 -2.488 1.00 0.00 N ATOM 0 H ASN A 56 -12.504 4.924 -0.839 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.229 2.889 1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.567 1.288 -0.058 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.493 2.547 0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.229 2.350 -3.418 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.207 1.357 -2.373 1.00 0.00 H new ATOM 28 N THR A 57 -10.505 3.702 -1.048 1.00 0.00 N ATOM 29 CA THR A 57 -9.506 3.490 -2.052 1.00 0.00 C ATOM 30 C THR A 57 -8.240 4.123 -1.560 1.00 0.00 C ATOM 31 O THR A 57 -8.264 4.997 -0.691 1.00 0.00 O ATOM 32 CB THR A 57 -9.873 4.126 -3.404 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.941 5.542 -3.288 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.249 3.703 -3.922 1.00 0.00 C ATOM 0 H THR A 57 -10.484 4.626 -0.616 1.00 0.00 H new ATOM 0 HA THR A 57 -9.406 2.417 -2.216 1.00 0.00 H new ATOM 0 HB THR A 57 -9.094 3.790 -4.088 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.483 5.781 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.443 4.189 -4.878 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.272 2.621 -4.053 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.014 3.998 -3.204 1.00 0.00 H new ATOM 42 N ILE A 58 -7.096 3.680 -2.116 1.00 0.00 N ATOM 43 CA ILE A 58 -5.845 4.320 -1.829 1.00 0.00 C ATOM 44 C ILE A 58 -4.982 4.127 -3.033 1.00 0.00 C ATOM 45 O ILE A 58 -5.364 3.423 -3.969 1.00 0.00 O ATOM 46 CB ILE A 58 -5.102 3.786 -0.593 1.00 0.00 C ATOM 47 CG1 ILE A 58 -5.961 2.877 0.292 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.438 4.901 0.232 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.171 2.179 1.404 1.00 0.00 C ATOM 0 H ILE A 58 -7.035 2.889 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.058 5.364 -1.600 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.305 3.162 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.758 3.469 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.438 2.122 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.929 4.464 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.714 5.430 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.199 5.600 0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.844 1.553 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.391 1.559 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.716 2.928 2.052 1.00 0.00 H new ATOM 61 N ARG A 59 -3.781 4.741 -3.038 1.00 0.00 N ATOM 62 CA ARG A 59 -2.970 4.690 -4.209 1.00 0.00 C ATOM 63 C ARG A 59 -1.714 3.993 -3.846 1.00 0.00 C ATOM 64 O ARG A 59 -1.170 4.211 -2.771 1.00 0.00 O ATOM 65 CB ARG A 59 -2.667 6.098 -4.703 1.00 0.00 C ATOM 66 CG ARG A 59 -3.890 6.759 -5.334 1.00 0.00 C ATOM 67 CD ARG A 59 -4.223 8.145 -4.765 1.00 0.00 C ATOM 68 NE ARG A 59 -3.090 9.070 -5.075 1.00 0.00 N ATOM 69 CZ ARG A 59 -2.734 9.353 -6.359 1.00 0.00 C ATOM 70 NH1 ARG A 59 -3.429 8.854 -7.399 1.00 0.00 N ATOM 71 NH2 ARG A 59 -1.722 10.218 -6.595 1.00 0.00 N ATOM 0 H ARG A 59 -3.384 5.258 -2.253 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.486 4.161 -5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.316 6.707 -3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.859 6.060 -5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.726 6.850 -6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.752 6.106 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.149 8.521 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.379 8.085 -3.688 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.572 9.499 -4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.236 8.254 -7.232 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.148 9.077 -8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.231 10.654 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.450 10.435 -7.554 1.00 0.00 H new ATOM 85 N VAL A 60 -1.253 3.108 -4.744 1.00 0.00 N ATOM 86 CA VAL A 60 -0.074 2.340 -4.472 1.00 0.00 C ATOM 87 C VAL A 60 0.956 2.746 -5.471 1.00 0.00 C ATOM 88 O VAL A 60 0.790 2.543 -6.673 1.00 0.00 O ATOM 89 CB VAL A 60 -0.276 0.822 -4.564 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.889 0.018 -3.969 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.583 0.346 -3.913 1.00 0.00 C ATOM 0 H VAL A 60 -1.687 2.923 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 60 0.221 2.543 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.324 0.630 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.683 -1.048 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.808 0.260 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.004 0.270 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.666 -0.736 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.582 0.615 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.430 0.821 -4.408 1.00 0.00 H new ATOM 101 N PHE A 61 2.063 3.320 -4.973 1.00 0.00 N ATOM 102 CA PHE A 61 3.121 3.757 -5.835 1.00 0.00 C ATOM 103 C PHE A 61 4.142 2.662 -5.851 1.00 0.00 C ATOM 104 O PHE A 61 4.345 1.964 -4.856 1.00 0.00 O ATOM 105 CB PHE A 61 3.775 5.052 -5.332 1.00 0.00 C ATOM 106 CG PHE A 61 2.953 6.205 -5.807 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.632 6.375 -5.371 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.508 7.204 -6.595 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.919 7.515 -5.685 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.806 8.366 -6.868 1.00 0.00 C ATOM 111 CZ PHE A 61 1.517 8.526 -6.407 1.00 0.00 C ATOM 0 H PHE A 61 2.228 3.482 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 61 2.722 3.966 -6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.834 5.050 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.795 5.133 -5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.164 5.602 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.500 7.073 -7.001 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.108 7.615 -5.365 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.271 9.151 -7.445 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.978 9.439 -6.610 1.00 0.00 H new ATOM 121 N LEU A 62 4.817 2.460 -7.002 1.00 0.00 N ATOM 122 CA LEU A 62 5.588 1.260 -7.169 1.00 0.00 C ATOM 123 C LEU A 62 7.008 1.555 -6.777 1.00 0.00 C ATOM 124 O LEU A 62 7.452 2.704 -6.773 1.00 0.00 O ATOM 125 CB LEU A 62 5.559 0.701 -8.597 1.00 0.00 C ATOM 126 CG LEU A 62 4.319 -0.146 -8.893 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.386 -1.550 -8.277 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.019 0.534 -8.456 1.00 0.00 C ATOM 0 H LEU A 62 4.831 3.103 -7.793 1.00 0.00 H new ATOM 0 HA LEU A 62 5.142 0.495 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.602 1.529 -9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.451 0.096 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 62 4.313 -0.248 -9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.477 -2.099 -8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.250 -2.081 -8.675 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.478 -1.468 -7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.173 -0.113 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.048 0.718 -7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.909 1.481 -8.984 1.00 0.00 H new ATOM 140 N PRO A 63 7.731 0.451 -6.612 1.00 0.00 N ATOM 141 CA PRO A 63 9.113 0.743 -6.296 1.00 0.00 C ATOM 142 C PRO A 63 9.786 0.951 -7.633 1.00 0.00 C ATOM 143 O PRO A 63 10.935 1.380 -7.700 1.00 0.00 O ATOM 144 CB PRO A 63 9.648 -0.521 -5.665 1.00 0.00 C ATOM 145 CG PRO A 63 8.435 -1.306 -5.176 1.00 0.00 C ATOM 146 CD PRO A 63 7.214 -0.651 -5.818 1.00 0.00 C ATOM 0 HA PRO A 63 9.261 1.602 -5.642 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.222 -1.103 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.319 -0.288 -4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.509 -2.355 -5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.365 -1.277 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.671 -1.361 -6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.517 -0.294 -5.060 1.00 0.00 H new ATOM 154 N ASN A 64 9.066 0.675 -8.744 1.00 0.00 N ATOM 155 CA ASN A 64 9.572 0.995 -10.050 1.00 0.00 C ATOM 156 C ASN A 64 9.249 2.440 -10.307 1.00 0.00 C ATOM 157 O ASN A 64 9.574 2.977 -11.363 1.00 0.00 O ATOM 158 CB ASN A 64 8.926 0.162 -11.169 1.00 0.00 C ATOM 159 CG ASN A 64 9.001 -1.309 -10.779 1.00 0.00 C ATOM 160 OD1 ASN A 64 8.206 -1.793 -9.972 1.00 0.00 O ATOM 161 ND2 ASN A 64 9.969 -2.050 -11.380 1.00 0.00 N ATOM 0 H ASN A 64 8.145 0.236 -8.738 1.00 0.00 H new ATOM 0 HA ASN A 64 10.641 0.782 -10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.889 0.463 -11.315 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.443 0.331 -12.114 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.056 -3.044 -11.168 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.609 -1.612 -12.043 1.00 0.00 H new ATOM 168 N LYS A 65 8.545 3.067 -9.341 1.00 0.00 N ATOM 169 CA LYS A 65 8.260 4.470 -9.396 1.00 0.00 C ATOM 170 C LYS A 65 7.089 4.680 -10.277 1.00 0.00 C ATOM 171 O LYS A 65 7.140 5.435 -11.248 1.00 0.00 O ATOM 172 CB LYS A 65 9.424 5.422 -9.627 1.00 0.00 C ATOM 173 CG LYS A 65 10.230 5.644 -8.349 1.00 0.00 C ATOM 174 CD LYS A 65 11.470 4.750 -8.246 1.00 0.00 C ATOM 175 CE LYS A 65 11.886 4.452 -6.801 1.00 0.00 C ATOM 176 NZ LYS A 65 12.720 3.255 -6.758 1.00 0.00 N ATOM 0 H LYS A 65 8.171 2.596 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 65 8.012 4.774 -8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.075 5.020 -10.403 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.047 6.378 -9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.539 6.688 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.588 5.462 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.275 3.810 -8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.300 5.231 -8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.432 5.301 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.001 4.311 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.983 3.051 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.191 2.449 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.580 3.411 -7.321 1.00 0.00 H new ATOM 190 N GLN A 66 5.974 4.061 -9.865 1.00 0.00 N ATOM 191 CA GLN A 66 4.745 4.184 -10.583 1.00 0.00 C ATOM 192 C GLN A 66 3.665 4.408 -9.595 1.00 0.00 C ATOM 193 O GLN A 66 3.931 4.738 -8.447 1.00 0.00 O ATOM 194 CB GLN A 66 4.403 2.956 -11.430 1.00 0.00 C ATOM 195 CG GLN A 66 4.654 3.172 -12.917 1.00 0.00 C ATOM 196 CD GLN A 66 3.317 3.104 -13.645 1.00 0.00 C ATOM 197 OE1 GLN A 66 3.012 2.129 -14.333 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.469 4.154 -13.478 1.00 0.00 N ATOM 0 H GLN A 66 5.921 3.473 -9.033 1.00 0.00 H new ATOM 0 HA GLN A 66 4.850 5.016 -11.279 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.995 2.108 -11.086 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.355 2.696 -11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.129 4.139 -13.085 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.334 2.412 -13.301 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.748 4.948 -12.902 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.554 4.147 -13.928 1.00 0.00 H new ATOM 207 N ARG A 67 2.413 4.295 -10.070 1.00 0.00 N ATOM 208 CA ARG A 67 1.286 4.558 -9.230 1.00 0.00 C ATOM 209 C ARG A 67 0.135 3.775 -9.771 1.00 0.00 C ATOM 210 O ARG A 67 0.166 3.315 -10.913 1.00 0.00 O ATOM 211 CB ARG A 67 0.897 6.037 -9.193 1.00 0.00 C ATOM 212 CG ARG A 67 0.862 6.699 -10.572 1.00 0.00 C ATOM 213 CD ARG A 67 2.170 7.408 -10.930 1.00 0.00 C ATOM 214 NE ARG A 67 2.445 7.144 -12.374 1.00 0.00 N ATOM 215 CZ ARG A 67 3.682 7.374 -12.895 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.727 7.659 -12.094 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.902 7.189 -14.216 1.00 0.00 N ATOM 0 H ARG A 67 2.181 4.024 -11.026 1.00 0.00 H new ATOM 0 HA ARG A 67 1.547 4.273 -8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.084 6.134 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.604 6.574 -8.560 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.647 5.942 -11.327 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.045 7.420 -10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.088 8.479 -10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.988 7.039 -10.311 1.00 0.00 H new ATOM 0 HE ARG A 67 1.701 6.789 -12.974 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.597 7.705 -11.083 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.648 7.829 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.142 6.878 -14.821 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.828 7.361 -14.608 1.00 0.00 H new ATOM 231 N THR A 68 -0.907 3.623 -8.934 1.00 0.00 N ATOM 232 CA THR A 68 -2.099 2.936 -9.336 1.00 0.00 C ATOM 233 C THR A 68 -3.056 3.061 -8.193 1.00 0.00 C ATOM 234 O THR A 68 -2.656 3.405 -7.082 1.00 0.00 O ATOM 235 CB THR A 68 -1.899 1.450 -9.687 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.091 0.910 -10.242 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.443 0.578 -8.507 1.00 0.00 C ATOM 0 H THR A 68 -0.926 3.976 -7.977 1.00 0.00 H new ATOM 0 HA THR A 68 -2.462 3.390 -10.258 1.00 0.00 H new ATOM 0 HB THR A 68 -1.090 1.429 -10.417 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.951 -0.034 -10.463 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.326 -0.453 -8.840 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.490 0.947 -8.129 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.189 0.620 -7.714 1.00 0.00 H new ATOM 245 N VAL A 69 -4.354 2.807 -8.447 1.00 0.00 N ATOM 246 CA VAL A 69 -5.331 2.945 -7.407 1.00 0.00 C ATOM 247 C VAL A 69 -5.848 1.580 -7.096 1.00 0.00 C ATOM 248 O VAL A 69 -5.959 0.724 -7.975 1.00 0.00 O ATOM 249 CB VAL A 69 -6.501 3.873 -7.761 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.076 3.629 -9.162 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.614 3.921 -6.695 1.00 0.00 C ATOM 0 H VAL A 69 -4.722 2.512 -9.351 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.842 3.410 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.048 4.865 -7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.899 4.320 -9.343 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.297 3.789 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.441 2.604 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.402 4.599 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.029 2.922 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.199 4.276 -5.751 1.00 0.00 H new ATOM 261 N VAL A 70 -6.184 1.362 -5.813 1.00 0.00 N ATOM 262 CA VAL A 70 -6.682 0.088 -5.389 1.00 0.00 C ATOM 263 C VAL A 70 -7.918 0.341 -4.589 1.00 0.00 C ATOM 264 O VAL A 70 -8.139 1.449 -4.099 1.00 0.00 O ATOM 265 CB VAL A 70 -5.684 -0.687 -4.519 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.441 -1.141 -5.288 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.217 0.085 -3.272 1.00 0.00 C ATOM 0 H VAL A 70 -6.112 2.060 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.870 -0.520 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.255 -1.559 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.775 -1.683 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.739 -1.794 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.922 -0.270 -5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.514 -0.527 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.729 1.010 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.078 0.320 -2.646 1.00 0.00 H new ATOM 277 N ASN A 71 -8.743 -0.711 -4.420 1.00 0.00 N ATOM 278 CA ASN A 71 -9.930 -0.591 -3.627 1.00 0.00 C ATOM 279 C ASN A 71 -9.709 -1.407 -2.395 1.00 0.00 C ATOM 280 O ASN A 71 -9.052 -2.447 -2.435 1.00 0.00 O ATOM 281 CB ASN A 71 -11.184 -1.130 -4.334 1.00 0.00 C ATOM 282 CG ASN A 71 -11.638 -0.098 -5.358 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.485 0.747 -5.071 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.077 -0.174 -6.593 1.00 0.00 N ATOM 0 H ASN A 71 -8.591 -1.634 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.103 0.466 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.965 -2.079 -4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.976 -1.320 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.355 0.484 -7.321 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.378 -0.889 -6.792 1.00 0.00 H new ATOM 291 N VAL A 72 -10.263 -0.940 -1.260 1.00 0.00 N ATOM 292 CA VAL A 72 -10.062 -1.623 -0.017 1.00 0.00 C ATOM 293 C VAL A 72 -11.412 -1.816 0.597 1.00 0.00 C ATOM 294 O VAL A 72 -12.376 -1.141 0.237 1.00 0.00 O ATOM 295 CB VAL A 72 -9.186 -0.829 0.962 1.00 0.00 C ATOM 296 CG1 VAL A 72 -8.631 -1.675 2.115 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.020 -0.102 0.277 1.00 0.00 C ATOM 0 H VAL A 72 -10.842 -0.102 -1.202 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.548 -2.564 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.871 -0.089 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.022 -1.048 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.457 -2.097 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.019 -2.482 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.440 0.440 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.380 -0.830 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.411 0.601 -0.459 1.00 0.00 H new ATOM 369 N SER A 77 -6.570 -6.610 4.026 1.00 0.00 N ATOM 370 CA SER A 77 -5.301 -6.304 4.613 1.00 0.00 C ATOM 371 C SER A 77 -4.449 -5.795 3.535 1.00 0.00 C ATOM 372 O SER A 77 -4.611 -6.284 2.444 1.00 0.00 O ATOM 373 CB SER A 77 -4.527 -7.550 5.033 1.00 0.00 C ATOM 374 OG SER A 77 -4.608 -7.729 6.439 1.00 0.00 O ATOM 0 HA SER A 77 -5.497 -5.642 5.457 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.930 -8.426 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.484 -7.458 4.731 1.00 0.00 H new ATOM 0 HG SER A 77 -4.109 -8.532 6.696 1.00 0.00 H new ATOM 380 N LEU A 78 -3.307 -5.213 3.949 1.00 0.00 N ATOM 381 CA LEU A 78 -2.291 -4.751 3.047 1.00 0.00 C ATOM 382 C LEU A 78 -1.899 -5.879 2.120 1.00 0.00 C ATOM 383 O LEU A 78 -1.937 -5.745 0.910 1.00 0.00 O ATOM 384 CB LEU A 78 -1.060 -4.340 3.858 1.00 0.00 C ATOM 385 CG LEU A 78 -0.924 -2.833 4.054 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.697 -2.081 2.794 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.201 -2.140 4.489 1.00 0.00 C ATOM 0 H LEU A 78 -3.083 -5.059 4.932 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.667 -3.906 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.103 -4.821 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.166 -4.714 3.358 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.109 -2.808 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.611 -1.017 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.222 -2.429 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.536 -2.244 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.014 -1.072 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.973 -2.294 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.534 -2.555 5.440 1.00 0.00 H new ATOM 399 N HIS A 79 -1.549 -7.053 2.675 1.00 0.00 N ATOM 400 CA HIS A 79 -0.943 -8.095 1.886 1.00 0.00 C ATOM 401 C HIS A 79 -2.004 -8.757 1.043 1.00 0.00 C ATOM 402 O HIS A 79 -1.692 -9.596 0.212 1.00 0.00 O ATOM 403 CB HIS A 79 -0.351 -9.204 2.775 1.00 0.00 C ATOM 404 CG HIS A 79 1.136 -9.351 2.648 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.799 -9.152 1.469 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.045 -9.790 3.540 1.00 0.00 C ATOM 407 CE1 HIS A 79 3.088 -9.383 1.673 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.258 -9.813 2.910 1.00 0.00 N ATOM 0 H HIS A 79 -1.681 -7.285 3.659 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.159 -7.633 1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.599 -8.994 3.816 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.824 -10.152 2.520 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.851 -10.072 4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.873 -9.242 0.945 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.141 -10.111 3.324 1.00 0.00 H new ATOM 417 N ASP A 80 -3.294 -8.483 1.314 1.00 0.00 N ATOM 418 CA ASP A 80 -4.345 -9.040 0.505 1.00 0.00 C ATOM 419 C ASP A 80 -4.892 -7.921 -0.328 1.00 0.00 C ATOM 420 O ASP A 80 -5.636 -8.145 -1.276 1.00 0.00 O ATOM 421 CB ASP A 80 -5.494 -9.570 1.371 1.00 0.00 C ATOM 422 CG ASP A 80 -5.006 -10.814 2.097 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.984 -11.898 1.459 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.659 -10.689 3.301 1.00 0.00 O ATOM 0 H ASP A 80 -3.610 -7.887 2.079 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.945 -9.861 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.812 -8.812 2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.359 -9.806 0.752 1.00 0.00 H new ATOM 429 N CYS A 81 -4.477 -6.691 0.015 1.00 0.00 N ATOM 430 CA CYS A 81 -5.016 -5.504 -0.574 1.00 0.00 C ATOM 431 C CYS A 81 -4.081 -5.096 -1.669 1.00 0.00 C ATOM 432 O CYS A 81 -4.480 -4.502 -2.663 1.00 0.00 O ATOM 433 CB CYS A 81 -4.982 -4.438 0.535 1.00 0.00 C ATOM 434 SG CYS A 81 -5.415 -2.792 -0.127 1.00 0.00 S ATOM 0 H CYS A 81 -3.755 -6.516 0.713 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.023 -5.638 -0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.679 -4.710 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.988 -4.404 0.982 1.00 0.00 H new ATOM 0 HG CYS A 81 -5.244 -2.784 -1.416 1.00 0.00 H new ATOM 440 N LEU A 82 -2.792 -5.390 -1.459 1.00 0.00 N ATOM 441 CA LEU A 82 -1.760 -4.989 -2.373 1.00 0.00 C ATOM 442 C LEU A 82 -1.548 -6.116 -3.299 1.00 0.00 C ATOM 443 O LEU A 82 -1.018 -5.961 -4.392 1.00 0.00 O ATOM 444 CB LEU A 82 -0.455 -4.810 -1.605 1.00 0.00 C ATOM 445 CG LEU A 82 -0.479 -3.616 -0.657 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.808 -2.786 -0.688 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.641 -2.664 -0.923 1.00 0.00 C ATOM 0 H LEU A 82 -2.454 -5.911 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.040 -4.067 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.249 -5.716 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.363 -4.687 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.592 -4.076 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.721 -1.953 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.652 -3.413 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.968 -2.400 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.602 -1.836 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.569 -2.277 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.584 -3.198 -0.804 1.00 0.00 H new ATOM 459 N MET A 83 -2.027 -7.283 -2.868 1.00 0.00 N ATOM 460 CA MET A 83 -1.968 -8.475 -3.652 1.00 0.00 C ATOM 461 C MET A 83 -2.991 -8.344 -4.740 1.00 0.00 C ATOM 462 O MET A 83 -3.201 -9.255 -5.529 1.00 0.00 O ATOM 463 CB MET A 83 -2.414 -9.579 -2.705 1.00 0.00 C ATOM 464 CG MET A 83 -2.716 -10.902 -3.392 1.00 0.00 C ATOM 465 SD MET A 83 -2.367 -12.279 -2.252 1.00 0.00 S ATOM 466 CE MET A 83 -0.552 -12.138 -2.147 1.00 0.00 C ATOM 0 H MET A 83 -2.466 -7.408 -1.956 1.00 0.00 H new ATOM 0 HA MET A 83 -0.985 -8.665 -4.083 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.636 -9.739 -1.958 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.305 -9.247 -2.171 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.760 -10.931 -3.704 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.111 -11.001 -4.293 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.117 -13.130 -2.023 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.169 -11.685 -3.061 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.284 -11.515 -1.294 1.00 0.00 H new ATOM 476 N LYS A 84 -3.766 -7.253 -4.680 1.00 0.00 N ATOM 477 CA LYS A 84 -4.508 -6.787 -5.815 1.00 0.00 C ATOM 478 C LYS A 84 -3.543 -6.088 -6.700 1.00 0.00 C ATOM 479 O LYS A 84 -3.358 -6.475 -7.851 1.00 0.00 O ATOM 480 CB LYS A 84 -5.458 -5.650 -5.433 1.00 0.00 C ATOM 481 CG LYS A 84 -6.840 -6.127 -5.029 1.00 0.00 C ATOM 482 CD LYS A 84 -6.855 -6.888 -3.703 1.00 0.00 C ATOM 483 CE LYS A 84 -8.262 -7.070 -3.126 1.00 0.00 C ATOM 484 NZ LYS A 84 -8.208 -7.910 -1.934 1.00 0.00 N ATOM 0 H LYS A 84 -3.883 -6.685 -3.841 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.033 -7.641 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.022 -5.084 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.551 -4.966 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.506 -5.267 -4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.238 -6.771 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.400 -7.868 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.239 -6.355 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.690 -6.099 -2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.914 -7.525 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.872 -7.545 -1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.471 -8.885 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.243 -7.900 -1.546 1.00 0.00 H new ATOM 498 N ALA A 85 -2.943 -5.033 -6.122 1.00 0.00 N ATOM 499 CA ALA A 85 -2.175 -4.061 -6.864 1.00 0.00 C ATOM 500 C ALA A 85 -1.119 -4.774 -7.647 1.00 0.00 C ATOM 501 O ALA A 85 -1.077 -4.691 -8.866 1.00 0.00 O ATOM 502 CB ALA A 85 -1.438 -3.218 -5.795 1.00 0.00 C ATOM 0 H ALA A 85 -2.987 -4.844 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.808 -3.472 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.832 -2.456 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.168 -2.737 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.794 -3.866 -5.201 1.00 0.00 H new ATOM 508 N LEU A 86 -0.273 -5.528 -6.932 1.00 0.00 N ATOM 509 CA LEU A 86 0.945 -6.042 -7.484 1.00 0.00 C ATOM 510 C LEU A 86 0.594 -7.173 -8.360 1.00 0.00 C ATOM 511 O LEU A 86 1.323 -7.500 -9.280 1.00 0.00 O ATOM 512 CB LEU A 86 1.717 -6.624 -6.321 1.00 0.00 C ATOM 513 CG LEU A 86 1.989 -5.587 -5.237 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.943 -6.157 -3.854 1.00 0.00 C ATOM 515 CD2 LEU A 86 3.134 -4.643 -5.577 1.00 0.00 C ATOM 0 H LEU A 86 -0.432 -5.787 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 86 1.502 -5.276 -8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.156 -7.456 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.663 -7.029 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 86 1.143 -4.900 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.145 -5.369 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.955 -6.578 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.696 -6.940 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.273 -3.932 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.050 -5.217 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.900 -4.103 -6.495 1.00 0.00 H new ATOM 527 N LYS A 87 -0.527 -7.825 -8.034 1.00 0.00 N ATOM 528 CA LYS A 87 -1.050 -8.879 -8.860 1.00 0.00 C ATOM 529 C LYS A 87 -1.271 -8.326 -10.238 1.00 0.00 C ATOM 530 O LYS A 87 -0.930 -8.966 -11.232 1.00 0.00 O ATOM 531 CB LYS A 87 -2.435 -9.278 -8.368 1.00 0.00 C ATOM 532 CG LYS A 87 -2.607 -10.780 -8.197 1.00 0.00 C ATOM 533 CD LYS A 87 -3.169 -11.467 -9.445 1.00 0.00 C ATOM 534 CE LYS A 87 -2.202 -12.467 -10.087 1.00 0.00 C ATOM 535 NZ LYS A 87 -1.001 -11.780 -10.554 1.00 0.00 N ATOM 0 H LYS A 87 -1.079 -7.629 -7.199 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.356 -9.720 -8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.629 -8.787 -7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.182 -8.912 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.643 -11.224 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.272 -10.970 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.090 -11.986 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.432 -10.706 -10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.931 -13.237 -9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.689 -12.970 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.614 -12.280 -11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.241 -10.804 -10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.291 -11.766 -9.794 1.00 0.00 H new ATOM 549 N VAL A 88 -1.906 -7.141 -10.286 1.00 0.00 N ATOM 550 CA VAL A 88 -2.243 -6.496 -11.528 1.00 0.00 C ATOM 551 C VAL A 88 -0.964 -6.183 -12.255 1.00 0.00 C ATOM 552 O VAL A 88 -0.902 -6.236 -13.483 1.00 0.00 O ATOM 553 CB VAL A 88 -2.947 -5.154 -11.264 1.00 0.00 C ATOM 554 CG1 VAL A 88 -3.225 -4.330 -12.524 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.172 -5.266 -10.358 1.00 0.00 C ATOM 0 H VAL A 88 -2.191 -6.620 -9.457 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.895 -7.154 -12.102 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.209 -4.582 -10.701 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.723 -3.400 -12.248 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.284 -4.103 -13.025 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.866 -4.899 -13.197 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.613 -4.279 -10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.905 -5.930 -10.817 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.873 -5.669 -9.390 1.00 0.00 H new ATOM 565 N ARG A 89 0.086 -5.836 -11.491 1.00 0.00 N ATOM 566 CA ARG A 89 1.263 -5.260 -12.067 1.00 0.00 C ATOM 567 C ARG A 89 2.181 -6.375 -12.464 1.00 0.00 C ATOM 568 O ARG A 89 2.913 -6.270 -13.447 1.00 0.00 O ATOM 569 CB ARG A 89 1.917 -4.395 -10.997 1.00 0.00 C ATOM 570 CG ARG A 89 0.933 -3.407 -10.370 1.00 0.00 C ATOM 571 CD ARG A 89 1.332 -1.944 -10.542 1.00 0.00 C ATOM 572 NE ARG A 89 1.469 -1.683 -12.004 1.00 0.00 N ATOM 573 CZ ARG A 89 1.670 -0.417 -12.462 1.00 0.00 C ATOM 574 NH1 ARG A 89 1.513 0.644 -11.646 1.00 0.00 N ATOM 575 NH2 ARG A 89 1.907 -0.205 -13.773 1.00 0.00 N ATOM 0 H ARG A 89 0.122 -5.953 -10.478 1.00 0.00 H new ATOM 0 HA ARG A 89 1.033 -4.655 -12.944 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.332 -5.035 -10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.750 -3.846 -11.436 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.051 -3.559 -10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.842 -3.626 -9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.579 -1.288 -10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.271 -1.740 -10.027 1.00 0.00 H new ATOM 0 HE ARG A 89 1.412 -2.458 -12.665 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.241 0.503 -10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.667 1.588 -12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.935 -0.993 -14.420 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.058 0.743 -14.117 1.00 0.00 H new ATOM 589 N GLY A 90 2.176 -7.464 -11.676 1.00 0.00 N ATOM 590 CA GLY A 90 3.014 -8.594 -11.964 1.00 0.00 C ATOM 591 C GLY A 90 4.133 -8.581 -10.974 1.00 0.00 C ATOM 592 O GLY A 90 5.284 -8.844 -11.320 1.00 0.00 O ATOM 0 H GLY A 90 1.596 -7.566 -10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.447 -9.522 -11.891 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.400 -8.536 -12.982 1.00 0.00 H new ATOM 596 N LEU A 91 3.808 -8.295 -9.698 1.00 0.00 N ATOM 597 CA LEU A 91 4.825 -8.171 -8.698 1.00 0.00 C ATOM 598 C LEU A 91 4.391 -8.973 -7.509 1.00 0.00 C ATOM 599 O LEU A 91 3.297 -9.537 -7.485 1.00 0.00 O ATOM 600 CB LEU A 91 5.008 -6.714 -8.260 1.00 0.00 C ATOM 601 CG LEU A 91 5.862 -5.898 -9.235 1.00 0.00 C ATOM 602 CD1 LEU A 91 5.058 -4.903 -10.086 1.00 0.00 C ATOM 603 CD2 LEU A 91 7.073 -5.233 -8.574 1.00 0.00 C ATOM 0 H LEU A 91 2.855 -8.152 -9.363 1.00 0.00 H new ATOM 0 HA LEU A 91 5.771 -8.525 -9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.029 -6.244 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.472 -6.692 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 91 6.254 -6.640 -9.930 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.733 -4.364 -10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.321 -5.444 -10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.549 -4.194 -9.433 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.633 -4.672 -9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.733 -4.555 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.715 -5.998 -8.138 1.00 0.00 H new ATOM 615 N GLN A 92 5.253 -9.013 -6.473 1.00 0.00 N ATOM 616 CA GLN A 92 4.943 -9.752 -5.284 1.00 0.00 C ATOM 617 C GLN A 92 5.106 -8.807 -4.120 1.00 0.00 C ATOM 618 O GLN A 92 5.871 -7.843 -4.185 1.00 0.00 O ATOM 619 CB GLN A 92 5.863 -10.965 -5.090 1.00 0.00 C ATOM 620 CG GLN A 92 7.358 -10.633 -5.217 1.00 0.00 C ATOM 621 CD GLN A 92 8.080 -11.188 -3.994 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.229 -10.499 -2.986 1.00 0.00 O ATOM 623 NE2 GLN A 92 8.531 -12.475 -4.051 1.00 0.00 N ATOM 0 H GLN A 92 6.156 -8.539 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 92 3.927 -10.139 -5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.678 -11.397 -4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.605 -11.727 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.767 -11.068 -6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.503 -9.555 -5.286 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.395 -13.026 -4.899 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.004 -12.886 -3.246 1.00 0.00 H new ATOM 632 N PRO A 93 4.406 -9.154 -3.047 1.00 0.00 N ATOM 633 CA PRO A 93 4.507 -8.152 -2.004 1.00 0.00 C ATOM 634 C PRO A 93 5.316 -8.801 -0.911 1.00 0.00 C ATOM 635 O PRO A 93 5.647 -8.158 0.082 1.00 0.00 O ATOM 636 CB PRO A 93 3.103 -7.984 -1.460 1.00 0.00 C ATOM 637 CG PRO A 93 2.290 -9.168 -1.972 1.00 0.00 C ATOM 638 CD PRO A 93 3.084 -9.753 -3.132 1.00 0.00 C ATOM 0 HA PRO A 93 4.935 -7.209 -2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.110 -7.962 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.668 -7.042 -1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.143 -9.909 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.300 -8.849 -2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.141 -10.839 -3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.610 -9.522 -4.086 1.00 0.00 H new ATOM 646 N GLU A 94 5.674 -10.090 -1.070 1.00 0.00 N ATOM 647 CA GLU A 94 6.128 -10.878 0.046 1.00 0.00 C ATOM 648 C GLU A 94 7.449 -10.334 0.528 1.00 0.00 C ATOM 649 O GLU A 94 7.734 -10.354 1.723 1.00 0.00 O ATOM 650 CB GLU A 94 6.316 -12.366 -0.292 1.00 0.00 C ATOM 651 CG GLU A 94 5.028 -13.194 -0.176 1.00 0.00 C ATOM 652 CD GLU A 94 4.060 -12.732 -1.256 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.454 -12.747 -2.453 1.00 0.00 O ATOM 654 OE2 GLU A 94 2.927 -12.315 -0.896 1.00 0.00 O ATOM 0 H GLU A 94 5.651 -10.586 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 94 5.354 -10.810 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.703 -12.453 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.070 -12.788 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.248 -14.255 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.583 -13.067 0.811 1.00 0.00 H new ATOM 661 N CYS A 95 8.295 -9.838 -0.395 1.00 0.00 N ATOM 662 CA CYS A 95 9.645 -9.515 -0.034 1.00 0.00 C ATOM 663 C CYS A 95 9.793 -8.023 -0.077 1.00 0.00 C ATOM 664 O CYS A 95 10.881 -7.498 -0.319 1.00 0.00 O ATOM 665 CB CYS A 95 10.652 -10.089 -1.030 1.00 0.00 C ATOM 666 SG CYS A 95 10.670 -11.907 -0.904 1.00 0.00 S ATOM 0 H CYS A 95 8.054 -9.663 -1.370 1.00 0.00 H new ATOM 0 HA CYS A 95 9.840 -9.932 0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.388 -9.787 -2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.646 -9.691 -0.828 1.00 0.00 H new ATOM 0 HG CYS A 95 11.526 -12.392 -1.754 1.00 0.00 H new ATOM 672 N CYS A 96 8.709 -7.290 0.226 1.00 0.00 N ATOM 673 CA CYS A 96 8.738 -5.863 0.080 1.00 0.00 C ATOM 674 C CYS A 96 8.225 -5.259 1.355 1.00 0.00 C ATOM 675 O CYS A 96 7.770 -5.962 2.255 1.00 0.00 O ATOM 676 CB CYS A 96 7.813 -5.401 -1.055 1.00 0.00 C ATOM 677 SG CYS A 96 8.498 -5.924 -2.661 1.00 0.00 S ATOM 0 H CYS A 96 7.826 -7.672 0.566 1.00 0.00 H new ATOM 0 HA CYS A 96 9.759 -5.555 -0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.817 -5.823 -0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.706 -4.317 -1.031 1.00 0.00 H new ATOM 0 HG CYS A 96 7.616 -6.635 -3.298 1.00 0.00 H new ATOM 683 N ALA A 97 8.300 -3.914 1.436 1.00 0.00 N ATOM 684 CA ALA A 97 7.738 -3.195 2.544 1.00 0.00 C ATOM 685 C ALA A 97 6.857 -2.142 1.959 1.00 0.00 C ATOM 686 O ALA A 97 7.223 -1.469 1.003 1.00 0.00 O ATOM 687 CB ALA A 97 8.781 -2.482 3.425 1.00 0.00 C ATOM 0 H ALA A 97 8.749 -3.325 0.735 1.00 0.00 H new ATOM 0 HA ALA A 97 7.223 -3.914 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.276 -1.962 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.472 -3.217 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.334 -1.761 2.823 1.00 0.00 H new ATOM 693 N VAL A 98 5.661 -1.963 2.544 1.00 0.00 N ATOM 694 CA VAL A 98 4.732 -0.998 2.035 1.00 0.00 C ATOM 695 C VAL A 98 4.700 0.144 3.006 1.00 0.00 C ATOM 696 O VAL A 98 4.988 -0.014 4.194 1.00 0.00 O ATOM 697 CB VAL A 98 3.327 -1.587 1.869 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.913 -2.487 3.029 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.229 -0.548 1.631 1.00 0.00 C ATOM 0 H VAL A 98 5.337 -2.479 3.362 1.00 0.00 H new ATOM 0 HA VAL A 98 5.052 -0.671 1.046 1.00 0.00 H new ATOM 0 HB VAL A 98 3.418 -2.188 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.909 -2.872 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.612 -3.320 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.922 -1.913 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.268 -1.052 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.188 0.138 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.448 0.011 0.721 1.00 0.00 H new ATOM 709 N PHE A 99 4.329 1.334 2.501 1.00 0.00 N ATOM 710 CA PHE A 99 4.453 2.534 3.274 1.00 0.00 C ATOM 711 C PHE A 99 3.312 3.422 2.909 1.00 0.00 C ATOM 712 O PHE A 99 2.737 3.307 1.829 1.00 0.00 O ATOM 713 CB PHE A 99 5.698 3.357 2.904 1.00 0.00 C ATOM 714 CG PHE A 99 6.895 2.679 3.473 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.474 1.606 2.794 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.578 3.193 4.569 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.775 1.238 3.040 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.865 2.797 4.839 1.00 0.00 C ATOM 719 CZ PHE A 99 9.491 1.898 4.009 1.00 0.00 C ATOM 0 H PHE A 99 3.946 1.467 1.565 1.00 0.00 H new ATOM 0 HA PHE A 99 4.496 2.234 4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.789 3.441 1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.613 4.370 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.893 1.058 2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.092 3.910 5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.230 0.437 2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.383 3.191 5.701 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.549 1.710 4.119 1.00 0.00 H new ATOM 729 N ARG A 100 3.053 4.404 3.790 1.00 0.00 N ATOM 730 CA ARG A 100 2.331 5.578 3.406 1.00 0.00 C ATOM 731 C ARG A 100 3.362 6.562 2.936 1.00 0.00 C ATOM 732 O ARG A 100 4.509 6.536 3.383 1.00 0.00 O ATOM 733 CB ARG A 100 1.613 6.207 4.600 1.00 0.00 C ATOM 734 CG ARG A 100 0.167 5.735 4.755 1.00 0.00 C ATOM 735 CD ARG A 100 -0.383 5.897 6.175 1.00 0.00 C ATOM 736 NE ARG A 100 -1.086 7.214 6.258 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.397 8.370 6.468 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.919 8.349 6.756 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.054 9.551 6.495 1.00 0.00 N ATOM 0 H ARG A 100 3.343 4.386 4.768 1.00 0.00 H new ATOM 0 HA ARG A 100 1.589 5.324 2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.164 5.972 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.624 7.292 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.465 6.293 4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.104 4.686 4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.070 5.084 6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.427 5.852 6.903 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.100 7.247 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.413 7.459 6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.421 9.223 6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.064 9.576 6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.539 10.417 6.652 1.00 0.00 H new ATOM 753 N LEU A 101 2.969 7.506 2.060 1.00 0.00 N ATOM 754 CA LEU A 101 3.922 8.437 1.524 1.00 0.00 C ATOM 755 C LEU A 101 4.082 9.548 2.521 1.00 0.00 C ATOM 756 O LEU A 101 3.637 9.462 3.666 1.00 0.00 O ATOM 757 CB LEU A 101 3.454 9.079 0.203 1.00 0.00 C ATOM 758 CG LEU A 101 3.242 8.074 -0.934 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.020 8.744 -2.297 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.384 7.070 -1.073 1.00 0.00 C ATOM 0 H LEU A 101 2.013 7.626 1.727 1.00 0.00 H new ATOM 0 HA LEU A 101 4.846 7.892 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.521 9.614 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.191 9.818 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 101 2.336 7.542 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.876 7.979 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.136 9.380 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.890 9.350 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.171 6.388 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.314 7.602 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.484 6.502 -0.148 1.00 0.00 H new ATOM 772 N LEU A 102 4.707 10.655 2.078 1.00 0.00 N ATOM 773 CA LEU A 102 5.010 11.736 2.962 1.00 0.00 C ATOM 774 C LEU A 102 3.841 12.675 2.961 1.00 0.00 C ATOM 775 O LEU A 102 3.885 13.761 2.386 1.00 0.00 O ATOM 776 CB LEU A 102 6.299 12.463 2.568 1.00 0.00 C ATOM 777 CG LEU A 102 6.665 12.308 1.089 1.00 0.00 C ATOM 778 CD1 LEU A 102 5.585 12.847 0.151 1.00 0.00 C ATOM 779 CD2 LEU A 102 8.034 12.894 0.740 1.00 0.00 C ATOM 0 H LEU A 102 5.001 10.800 1.112 1.00 0.00 H new ATOM 0 HA LEU A 102 5.181 11.342 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.193 13.523 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.120 12.085 3.178 1.00 0.00 H new ATOM 0 HG LEU A 102 6.730 11.232 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.900 12.710 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.653 12.308 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.431 13.908 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.231 12.751 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.043 13.959 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.805 12.390 1.323 1.00 0.00 H new ATOM 791 N HIS A 103 2.767 12.294 3.680 1.00 0.00 N ATOM 792 CA HIS A 103 1.631 13.161 3.809 1.00 0.00 C ATOM 793 C HIS A 103 1.783 13.902 5.103 1.00 0.00 C ATOM 794 O HIS A 103 1.058 14.856 5.377 1.00 0.00 O ATOM 795 CB HIS A 103 0.291 12.407 3.817 1.00 0.00 C ATOM 796 CG HIS A 103 -0.150 11.977 2.449 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.378 11.412 2.218 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.413 12.187 1.237 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.550 11.296 0.912 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.475 11.751 0.294 1.00 0.00 N ATOM 0 H HIS A 103 2.684 11.401 4.165 1.00 0.00 H new ATOM 0 HA HIS A 103 1.607 13.826 2.946 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.379 11.529 4.457 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.476 13.046 4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.385 12.619 1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.428 10.894 0.429 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.332 11.773 -0.716 1.00 0.00 H new ATOM 809 N GLU A 104 2.766 13.488 5.930 1.00 0.00 N ATOM 810 CA GLU A 104 2.992 14.159 7.176 1.00 0.00 C ATOM 811 C GLU A 104 4.400 13.858 7.609 1.00 0.00 C ATOM 812 O GLU A 104 4.663 13.531 8.766 1.00 0.00 O ATOM 813 CB GLU A 104 1.981 13.840 8.286 1.00 0.00 C ATOM 814 CG GLU A 104 1.964 12.370 8.724 1.00 0.00 C ATOM 815 CD GLU A 104 1.367 11.529 7.602 1.00 0.00 C ATOM 816 OE1 GLU A 104 0.166 11.724 7.272 1.00 0.00 O ATOM 817 OE2 GLU A 104 2.074 10.615 7.097 1.00 0.00 O ATOM 0 H GLU A 104 3.392 12.705 5.741 1.00 0.00 H new ATOM 0 HA GLU A 104 2.846 15.225 7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.203 14.462 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.984 14.116 7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.975 12.032 8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.377 12.255 9.635 1.00 0.00 H new ATOM 824 N HIS A 105 5.362 13.962 6.669 1.00 0.00 N ATOM 825 CA HIS A 105 6.737 13.721 7.004 1.00 0.00 C ATOM 826 C HIS A 105 7.526 14.862 6.443 1.00 0.00 C ATOM 827 O HIS A 105 6.994 15.700 5.719 1.00 0.00 O ATOM 828 CB HIS A 105 7.315 12.427 6.399 1.00 0.00 C ATOM 829 CG HIS A 105 6.414 11.236 6.550 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.618 11.049 7.647 1.00 0.00 N ATOM 831 CD2 HIS A 105 6.108 10.264 5.670 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.798 10.040 7.397 1.00 0.00 C ATOM 833 NE2 HIS A 105 5.066 9.556 6.195 1.00 0.00 N ATOM 0 H HIS A 105 5.193 14.208 5.694 1.00 0.00 H new ATOM 0 HA HIS A 105 6.797 13.623 8.088 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.514 12.589 5.340 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.272 12.210 6.874 1.00 0.00 H new ATOM 0 HD1 HIS A 105 5.651 11.593 8.509 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.596 10.079 4.725 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.034 9.672 8.066 1.00 0.00 H new ATOM 842 N LYS A 106 8.847 14.880 6.723 1.00 0.00 N ATOM 843 CA LYS A 106 9.695 15.891 6.166 1.00 0.00 C ATOM 844 C LYS A 106 10.026 15.475 4.769 1.00 0.00 C ATOM 845 O LYS A 106 10.058 16.293 3.851 1.00 0.00 O ATOM 846 CB LYS A 106 10.993 16.043 6.970 1.00 0.00 C ATOM 847 CG LYS A 106 11.941 17.115 6.423 1.00 0.00 C ATOM 848 CD LYS A 106 11.314 18.513 6.348 1.00 0.00 C ATOM 849 CE LYS A 106 10.814 19.035 7.698 1.00 0.00 C ATOM 850 NZ LYS A 106 10.273 20.383 7.542 1.00 0.00 N ATOM 0 H LYS A 106 9.320 14.206 7.325 1.00 0.00 H new ATOM 0 HA LYS A 106 9.179 16.851 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.743 16.286 8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.513 15.085 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.829 17.158 7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.272 16.821 5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.050 19.211 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.481 18.491 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.046 18.369 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.631 19.043 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.936 20.730 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.016 21.016 7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.481 20.363 6.868 1.00 0.00 H new ATOM 864 N GLY A 107 10.261 14.169 4.588 1.00 0.00 N ATOM 865 CA GLY A 107 10.503 13.642 3.275 1.00 0.00 C ATOM 866 C GLY A 107 10.901 12.209 3.423 1.00 0.00 C ATOM 867 O GLY A 107 12.012 11.825 3.065 1.00 0.00 O ATOM 0 H GLY A 107 10.285 13.478 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.608 13.728 2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.290 14.207 2.776 1.00 0.00 H new ATOM 871 N LYS A 108 9.978 11.365 3.928 1.00 0.00 N ATOM 872 CA LYS A 108 10.255 9.964 4.019 1.00 0.00 C ATOM 873 C LYS A 108 8.989 9.251 3.662 1.00 0.00 C ATOM 874 O LYS A 108 8.171 9.751 2.890 1.00 0.00 O ATOM 875 CB LYS A 108 10.649 9.529 5.433 1.00 0.00 C ATOM 876 CG LYS A 108 11.826 10.315 6.009 1.00 0.00 C ATOM 877 CD LYS A 108 13.182 9.890 5.437 1.00 0.00 C ATOM 878 CE LYS A 108 14.364 10.643 6.053 1.00 0.00 C ATOM 879 NZ LYS A 108 15.606 10.248 5.395 1.00 0.00 N ATOM 0 H LYS A 108 9.058 11.647 4.267 1.00 0.00 H new ATOM 0 HA LYS A 108 11.089 9.731 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.789 9.644 6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.902 8.469 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.674 11.377 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.842 10.189 7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.318 8.821 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.180 10.051 4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.214 11.718 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.425 10.430 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.403 10.764 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.752 9.225 5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.549 10.473 4.381 1.00 0.00 H new ATOM 893 N LYS A 109 8.778 8.079 4.281 1.00 0.00 N ATOM 894 CA LYS A 109 7.582 7.337 4.070 1.00 0.00 C ATOM 895 C LYS A 109 7.286 6.673 5.370 1.00 0.00 C ATOM 896 O LYS A 109 8.197 6.262 6.089 1.00 0.00 O ATOM 897 CB LYS A 109 7.808 6.275 2.992 1.00 0.00 C ATOM 898 CG LYS A 109 7.704 6.789 1.562 1.00 0.00 C ATOM 899 CD LYS A 109 7.273 5.699 0.587 1.00 0.00 C ATOM 900 CE LYS A 109 8.250 4.520 0.535 1.00 0.00 C ATOM 901 NZ LYS A 109 9.430 4.884 -0.243 1.00 0.00 N ATOM 0 H LYS A 109 9.437 7.646 4.928 1.00 0.00 H new ATOM 0 HA LYS A 109 6.764 7.978 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.795 5.836 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.080 5.475 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.989 7.611 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.668 7.191 1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.287 5.334 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.178 6.129 -0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.544 4.236 1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.763 3.653 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.943 4.023 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.137 5.401 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 10.051 5.489 0.331 1.00 0.00 H new ATOM 915 N ALA A 110 5.995 6.618 5.732 1.00 0.00 N ATOM 916 CA ALA A 110 5.615 6.063 7.002 1.00 0.00 C ATOM 917 C ALA A 110 5.370 4.613 6.781 1.00 0.00 C ATOM 918 O ALA A 110 4.547 4.231 5.952 1.00 0.00 O ATOM 919 CB ALA A 110 4.384 6.652 7.693 1.00 0.00 C ATOM 0 H ALA A 110 5.220 6.951 5.159 1.00 0.00 H new ATOM 0 HA ALA A 110 6.436 6.300 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.217 6.137 8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.545 7.714 7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.511 6.525 7.052 1.00 0.00 H new ATOM 925 N ARG A 111 6.112 3.759 7.505 1.00 0.00 N ATOM 926 CA ARG A 111 6.155 2.388 7.150 1.00 0.00 C ATOM 927 C ARG A 111 5.063 1.716 7.894 1.00 0.00 C ATOM 928 O ARG A 111 4.774 2.048 9.043 1.00 0.00 O ATOM 929 CB ARG A 111 7.498 1.840 7.585 1.00 0.00 C ATOM 930 CG ARG A 111 7.877 0.540 6.895 1.00 0.00 C ATOM 931 CD ARG A 111 7.267 -0.669 7.584 1.00 0.00 C ATOM 932 NE ARG A 111 8.198 -1.814 7.371 1.00 0.00 N ATOM 933 CZ ARG A 111 7.818 -3.089 7.654 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.568 -3.361 8.081 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.687 -4.102 7.444 1.00 0.00 N ATOM 0 H ARG A 111 6.670 4.016 8.319 1.00 0.00 H new ATOM 0 HA ARG A 111 6.031 2.231 6.078 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.267 2.586 7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.483 1.679 8.663 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.546 0.571 5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.962 0.440 6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.130 -0.477 8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.283 -0.891 7.171 1.00 0.00 H new ATOM 0 HE ARG A 111 9.135 -1.638 7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.893 -2.605 8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.298 -4.322 8.289 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.618 -3.907 7.076 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.412 -5.062 7.653 1.00 0.00 H new ATOM 949 N LEU A 112 4.430 0.748 7.225 1.00 0.00 N ATOM 950 CA LEU A 112 3.183 0.233 7.694 1.00 0.00 C ATOM 951 C LEU A 112 3.369 -1.217 7.982 1.00 0.00 C ATOM 952 O LEU A 112 4.467 -1.673 8.303 1.00 0.00 O ATOM 953 CB LEU A 112 2.087 0.366 6.634 1.00 0.00 C ATOM 954 CG LEU A 112 1.891 1.797 6.138 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.888 1.900 4.990 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.455 2.758 7.242 1.00 0.00 C ATOM 0 H LEU A 112 4.774 0.321 6.365 1.00 0.00 H new ATOM 0 HA LEU A 112 2.882 0.795 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.333 -0.274 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.147 0.001 7.047 1.00 0.00 H new ATOM 0 HG LEU A 112 2.878 2.089 5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.793 2.941 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.237 1.303 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.082 1.529 5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.333 3.758 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.508 2.422 7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.213 2.781 8.025 1.00 0.00 H new ATOM 968 N ASP A 113 2.262 -1.974 7.901 1.00 0.00 N ATOM 969 CA ASP A 113 2.309 -3.383 8.157 1.00 0.00 C ATOM 970 C ASP A 113 1.827 -4.078 6.928 1.00 0.00 C ATOM 971 O ASP A 113 1.324 -3.455 6.008 1.00 0.00 O ATOM 972 CB ASP A 113 1.475 -3.827 9.370 1.00 0.00 C ATOM 973 CG ASP A 113 1.990 -5.180 9.839 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.150 -5.236 10.323 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.259 -6.185 9.626 1.00 0.00 O ATOM 0 H ASP A 113 1.338 -1.616 7.660 1.00 0.00 H new ATOM 0 HA ASP A 113 3.338 -3.645 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.552 -3.093 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.421 -3.895 9.101 1.00 0.00 H new ATOM 980 N TRP A 114 2.098 -5.395 6.838 1.00 0.00 N ATOM 981 CA TRP A 114 1.646 -6.170 5.736 1.00 0.00 C ATOM 982 C TRP A 114 0.278 -6.694 6.065 1.00 0.00 C ATOM 983 O TRP A 114 -0.448 -7.164 5.193 1.00 0.00 O ATOM 984 CB TRP A 114 2.633 -7.330 5.487 1.00 0.00 C ATOM 985 CG TRP A 114 3.541 -7.104 4.300 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.882 -7.288 4.132 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.057 -6.534 3.090 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.257 -6.848 2.874 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.134 -6.378 2.215 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.789 -6.186 2.796 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.859 -5.858 0.958 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.535 -5.664 1.554 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.538 -5.573 0.616 1.00 0.00 C ATOM 0 H TRP A 114 2.631 -5.918 7.533 1.00 0.00 H new ATOM 0 HA TRP A 114 1.595 -5.566 4.830 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.243 -7.475 6.379 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.069 -8.250 5.333 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.549 -7.712 4.868 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.204 -6.867 2.495 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.996 -6.315 3.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.658 -5.677 0.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.540 -5.322 1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.299 -5.278 -0.395 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.158 -6.503 7.321 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.500 -6.846 7.689 1.00 0.00 C ATOM 1006 C ASN A 115 -2.212 -5.561 7.948 1.00 0.00 C ATOM 1007 O ASN A 115 -3.175 -5.513 8.714 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.494 -7.592 9.029 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.505 -8.724 8.962 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.168 -9.860 8.628 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.772 -8.413 9.322 1.00 0.00 N ATOM 0 H ASN A 115 0.408 -6.116 8.076 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.957 -7.453 6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.499 -7.986 9.238 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.744 -6.910 9.842 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.493 -9.134 9.324 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.006 -7.457 9.592 1.00 0.00 H new ATOM 1018 N THR A 116 -1.727 -4.458 7.342 1.00 0.00 N ATOM 1019 CA THR A 116 -2.127 -3.167 7.803 1.00 0.00 C ATOM 1020 C THR A 116 -3.546 -2.920 7.359 1.00 0.00 C ATOM 1021 O THR A 116 -4.002 -3.413 6.325 1.00 0.00 O ATOM 1022 CB THR A 116 -1.132 -2.010 7.578 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.444 -1.718 8.787 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.768 -0.631 7.358 1.00 0.00 C ATOM 0 H THR A 116 -1.077 -4.460 6.556 1.00 0.00 H new ATOM 0 HA THR A 116 -2.104 -3.181 8.893 1.00 0.00 H new ATOM 0 HB THR A 116 -0.556 -2.365 6.724 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.345 -0.748 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.984 0.112 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.409 -0.662 6.477 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.363 -0.361 8.231 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.312 -2.207 8.201 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.652 -1.840 7.863 1.00 0.00 C ATOM 1034 C ASP A 117 -5.563 -0.685 6.918 1.00 0.00 C ATOM 1035 O ASP A 117 -5.623 0.461 7.343 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.422 -1.385 9.109 1.00 0.00 C ATOM 1037 CG ASP A 117 -6.221 -2.427 10.201 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -5.097 -2.474 10.773 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -7.189 -3.181 10.480 1.00 0.00 O ATOM 0 H ASP A 117 -4.004 -1.884 9.118 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.171 -2.693 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.064 -0.411 9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.482 -1.273 8.881 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.531 -1.006 5.607 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.421 -0.011 4.567 1.00 0.00 C ATOM 1046 C ALA A 118 -6.669 0.822 4.581 1.00 0.00 C ATOM 1047 O ALA A 118 -6.690 1.940 4.075 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.439 -0.893 3.301 1.00 0.00 C ATOM 0 H ALA A 118 -5.582 -1.964 5.261 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.559 0.651 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.361 -0.261 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.597 -1.585 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.371 -1.457 3.263 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.698 0.351 5.308 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.937 1.065 5.406 1.00 0.00 C ATOM 1056 C ALA A 119 -8.767 2.169 6.411 1.00 0.00 C ATOM 1057 O ALA A 119 -9.656 2.999 6.592 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.748 -0.068 6.062 1.00 0.00 C ATOM 0 H ALA A 119 -7.674 -0.525 5.829 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.338 1.508 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.770 0.269 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.760 -0.936 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.289 -0.341 7.012 1.00 0.00 H new ATOM 1064 N SER A 120 -7.592 2.233 7.069 1.00 0.00 N ATOM 1065 CA SER A 120 -7.330 3.293 8.001 1.00 0.00 C ATOM 1066 C SER A 120 -6.429 4.279 7.317 1.00 0.00 C ATOM 1067 O SER A 120 -6.294 5.419 7.752 1.00 0.00 O ATOM 1068 CB SER A 120 -6.630 2.816 9.280 1.00 0.00 C ATOM 1069 OG SER A 120 -7.409 1.812 9.920 1.00 0.00 O ATOM 0 H SER A 120 -6.832 1.561 6.959 1.00 0.00 H new ATOM 0 HA SER A 120 -8.287 3.722 8.298 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.643 2.422 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.480 3.657 9.957 1.00 0.00 H new ATOM 0 HG SER A 120 -6.953 1.513 10.734 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.777 3.835 6.222 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.917 4.701 5.461 1.00 0.00 C ATOM 1077 C LEU A 121 -5.683 5.089 4.258 1.00 0.00 C ATOM 1078 O LEU A 121 -5.126 5.558 3.268 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.651 3.982 4.977 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.895 3.267 6.096 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -3.036 3.963 7.454 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.391 1.844 6.319 1.00 0.00 C ATOM 0 H LEU A 121 -5.843 2.882 5.864 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.614 5.542 6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.924 3.256 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.988 4.707 4.506 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.860 3.281 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.477 3.408 8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.643 4.978 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.088 4.000 7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.820 1.382 7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.447 1.865 6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.261 1.266 5.404 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.998 4.841 4.333 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.860 5.024 3.204 1.00 0.00 C ATOM 1096 C ILE A 122 -7.901 6.485 2.876 1.00 0.00 C ATOM 1097 O ILE A 122 -7.979 7.342 3.756 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.273 4.464 3.416 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.848 3.775 2.178 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.300 5.470 3.968 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.393 2.325 2.002 1.00 0.00 C ATOM 0 H ILE A 122 -7.470 4.513 5.176 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.451 4.454 2.369 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.112 3.716 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.936 3.799 2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.563 4.344 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.266 4.978 4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.964 5.839 4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.398 6.306 3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.845 1.909 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.307 2.293 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.702 1.739 2.867 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.804 6.778 1.570 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.884 8.134 1.096 1.00 0.00 C ATOM 1115 C GLY A 123 -6.541 8.777 1.299 1.00 0.00 C ATOM 1116 O GLY A 123 -6.451 9.930 1.712 1.00 0.00 O ATOM 0 H GLY A 123 -7.670 6.081 0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.160 8.153 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.655 8.682 1.638 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.455 8.039 0.991 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.135 8.573 1.157 1.00 0.00 C ATOM 1122 C GLU A 124 -3.339 8.152 -0.045 1.00 0.00 C ATOM 1123 O GLU A 124 -3.891 7.780 -1.080 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.424 8.017 2.402 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.190 8.258 3.711 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.648 9.524 4.365 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.315 10.492 3.626 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.439 9.502 5.609 1.00 0.00 O ATOM 0 H GLU A 124 -5.489 7.085 0.632 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.211 9.654 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.271 6.946 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.437 8.473 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.257 8.362 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.072 7.406 4.381 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.998 8.174 0.085 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.149 7.669 -0.954 1.00 0.00 C ATOM 1137 C GLU A 125 -0.167 6.756 -0.311 1.00 0.00 C ATOM 1138 O GLU A 125 0.385 7.072 0.745 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.373 8.746 -1.719 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.165 9.324 -2.893 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.633 10.718 -3.206 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.388 11.499 -2.244 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.533 11.047 -4.421 1.00 0.00 O ATOM 0 H GLU A 125 -1.505 8.537 0.901 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.789 7.178 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.107 9.551 -1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.560 8.321 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.070 8.679 -3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.226 9.372 -2.646 1.00 0.00 H new ATOM 1150 N LEU A 126 0.083 5.608 -0.966 1.00 0.00 N ATOM 1151 CA LEU A 126 0.955 4.622 -0.407 1.00 0.00 C ATOM 1152 C LEU A 126 2.048 4.350 -1.392 1.00 0.00 C ATOM 1153 O LEU A 126 1.971 4.727 -2.558 1.00 0.00 O ATOM 1154 CB LEU A 126 0.250 3.297 -0.100 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.407 3.270 1.281 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.849 3.757 1.278 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.223 1.940 2.013 1.00 0.00 C ATOM 0 H LEU A 126 -0.314 5.364 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 126 1.332 5.019 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.509 3.112 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.973 2.484 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 126 0.142 4.005 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.251 3.710 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.885 4.786 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.446 3.124 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.713 1.989 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.665 1.136 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.840 1.745 2.152 1.00 0.00 H new ATOM 1169 N GLN A 127 3.092 3.639 -0.922 1.00 0.00 N ATOM 1170 CA GLN A 127 4.144 3.200 -1.792 1.00 0.00 C ATOM 1171 C GLN A 127 4.486 1.809 -1.376 1.00 0.00 C ATOM 1172 O GLN A 127 4.174 1.389 -0.264 1.00 0.00 O ATOM 1173 CB GLN A 127 5.449 4.009 -1.656 1.00 0.00 C ATOM 1174 CG GLN A 127 6.106 4.360 -2.999 1.00 0.00 C ATOM 1175 CD GLN A 127 7.613 4.467 -2.790 1.00 0.00 C ATOM 1176 OE1 GLN A 127 8.153 5.558 -2.597 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.325 3.312 -2.851 1.00 0.00 N ATOM 0 H GLN A 127 3.208 3.369 0.055 1.00 0.00 H new ATOM 0 HA GLN A 127 3.784 3.307 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 127 5.239 4.931 -1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.157 3.439 -1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.880 3.595 -3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.709 5.301 -3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.846 2.426 -3.012 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.338 3.331 -2.736 1.00 0.00 H new ATOM 1186 N VAL A 128 5.205 1.085 -2.251 1.00 0.00 N ATOM 1187 CA VAL A 128 5.820 -0.142 -1.845 1.00 0.00 C ATOM 1188 C VAL A 128 7.280 0.008 -2.120 1.00 0.00 C ATOM 1189 O VAL A 128 7.677 0.702 -3.053 1.00 0.00 O ATOM 1190 CB VAL A 128 5.262 -1.381 -2.564 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.142 -2.629 -2.423 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.888 -1.812 -2.038 1.00 0.00 C ATOM 0 H VAL A 128 5.360 1.343 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 128 5.611 -0.313 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 128 5.215 -1.049 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.682 -3.461 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.128 -2.429 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.243 -2.886 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.548 -2.691 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.963 -2.051 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.174 -1.000 -2.177 1.00 0.00 H new ATOM 1202 N ASP A 129 8.114 -0.583 -1.247 1.00 0.00 N ATOM 1203 CA ASP A 129 9.534 -0.489 -1.405 1.00 0.00 C ATOM 1204 C ASP A 129 10.090 -1.838 -1.074 1.00 0.00 C ATOM 1205 O ASP A 129 9.351 -2.795 -0.868 1.00 0.00 O ATOM 1206 CB ASP A 129 10.150 0.561 -0.459 1.00 0.00 C ATOM 1207 CG ASP A 129 10.972 1.531 -1.293 1.00 0.00 C ATOM 1208 OD1 ASP A 129 11.893 1.056 -2.009 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.668 2.754 -1.249 1.00 0.00 O ATOM 0 H ASP A 129 7.810 -1.123 -0.437 1.00 0.00 H new ATOM 0 HA ASP A 129 9.772 -0.181 -2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.366 1.093 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.778 0.077 0.289 1.00 0.00 H new ATOM 1214 N PHE A 130 11.431 -1.944 -0.988 1.00 0.00 N ATOM 1215 CA PHE A 130 12.038 -3.211 -0.702 1.00 0.00 C ATOM 1216 C PHE A 130 11.968 -3.428 0.785 1.00 0.00 C ATOM 1217 O PHE A 130 11.615 -2.521 1.542 1.00 0.00 O ATOM 1218 CB PHE A 130 13.502 -3.312 -1.175 1.00 0.00 C ATOM 1219 CG PHE A 130 14.192 -2.030 -0.840 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.846 -1.860 0.371 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.245 -0.981 -1.767 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.487 -0.670 0.674 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.884 0.206 -1.462 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.503 0.364 -0.238 1.00 0.00 C ATOM 0 H PHE A 130 12.084 -1.170 -1.113 1.00 0.00 H new ATOM 0 HA PHE A 130 11.492 -3.978 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.001 -4.150 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.542 -3.496 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.856 -2.667 1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 130 13.780 -1.102 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 130 15.977 -0.552 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 130 14.899 1.011 -2.182 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.997 1.293 0.004 1.00 0.00 H new