USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 681 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 TYR OH : rot 56:sc= -0.104! USER MOD Set 1.2: A 113 LYS NZ :NH3+ 141:sc= 1.13 (180deg=-0.101) USER MOD Set 2.1: A 102 TYR OH : rot -165:sc= -4.24! USER MOD Set 2.2: A 106 GLN : amide:sc= -7.1! C(o=-11!,f=-15!) USER MOD Set 3.1: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 100 THR OG1 : rot 117:sc= -0.0203 USER MOD Set 4.1: A 27 THR OG1 : rot -170:sc= -2.84 USER MOD Set 4.2: A 88 ASN : amide:sc= -1.61 X(o=-4.4,f=-4.4!) USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= -0.0513 (180deg=-1.3!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.133 USER MOD Single : A 32 ASN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0173 K(o=-0.017,f=-1.3) USER MOD Single : A 41 SER OG : rot 63:sc= 1.27 USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= 1.25 (180deg=0.944) USER MOD Single : A 48 CYS SG : rot -56:sc= -9.94! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= -4.18! (180deg=-4.92!) USER MOD Single : A 66 THR OG1 : rot -36:sc= 0.723 USER MOD Single : A 71 ASN : amide:sc= -1.84 K(o=-1.8,f=-2.8!) USER MOD Single : A 72 CYS SG : rot 26:sc= -2.47! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 85:sc= 0.555 USER MOD Single : A 82 ASN : amide:sc= -4.6! K(o=-4.6!,f=-2.3) USER MOD Single : A 86 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.075) USER MOD Single : A 87 GLN : amide:sc= -0.0533 X(o=-0.053,f=-0.24) USER MOD Single : A 90 LYS NZ :NH3+ 149:sc= -0.183 (180deg=-0.914) USER MOD Single : A 92 SER OG : rot 180:sc= -0.257 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc=-0.000631 X(o=-0.00063,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0745 X(o=-0.074,f=-0.0028) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.73 K(o=-1.7,f=-3.1!) USER MOD Single : A 111 GLN : amide:sc= -1.61 X(o=-1.6,f=-2!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -19.709 3.973 -5.763 1.00 0.00 N ATOM 71 CA THR A 27 -18.452 3.937 -6.483 1.00 0.00 C ATOM 72 C THR A 27 -17.568 5.099 -6.035 1.00 0.00 C ATOM 73 O THR A 27 -16.342 5.022 -6.099 1.00 0.00 O ATOM 74 CB THR A 27 -18.714 3.981 -7.993 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.558 2.695 -8.565 1.00 0.00 O ATOM 76 CG2 THR A 27 -17.803 4.923 -8.742 1.00 0.00 C ATOM 0 HA THR A 27 -17.928 3.008 -6.261 1.00 0.00 H new ATOM 0 HB THR A 27 -19.738 4.343 -8.091 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.572 2.768 -9.542 1.00 0.00 H new ATOM 0 HG21 THR A 27 -18.049 4.900 -9.804 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.935 5.936 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.767 4.615 -8.603 1.00 0.00 H new ATOM 84 N LYS A 28 -18.203 6.168 -5.560 1.00 0.00 N ATOM 85 CA LYS A 28 -17.475 7.332 -5.078 1.00 0.00 C ATOM 86 C LYS A 28 -16.706 6.964 -3.817 1.00 0.00 C ATOM 87 O LYS A 28 -15.548 7.347 -3.643 1.00 0.00 O ATOM 88 CB LYS A 28 -18.440 8.486 -4.794 1.00 0.00 C ATOM 89 CG LYS A 28 -18.048 9.788 -5.473 1.00 0.00 C ATOM 90 CD LYS A 28 -18.400 9.774 -6.952 1.00 0.00 C ATOM 91 CE LYS A 28 -17.178 9.503 -7.814 1.00 0.00 C ATOM 92 NZ LYS A 28 -17.488 8.582 -8.943 1.00 0.00 N ATOM 0 H LYS A 28 -19.218 6.249 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.772 7.656 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.440 8.202 -5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.492 8.649 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.555 10.621 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.977 9.953 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.155 9.011 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.838 10.732 -7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.796 10.445 -8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.389 9.071 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.686 7.938 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.339 8.028 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.656 9.136 -9.807 1.00 0.00 H new ATOM 106 N GLU A 29 -17.357 6.195 -2.947 1.00 0.00 N ATOM 107 CA GLU A 29 -16.734 5.750 -1.709 1.00 0.00 C ATOM 108 C GLU A 29 -15.504 4.910 -2.022 1.00 0.00 C ATOM 109 O GLU A 29 -14.500 4.965 -1.312 1.00 0.00 O ATOM 110 CB GLU A 29 -17.725 4.936 -0.878 1.00 0.00 C ATOM 111 CG GLU A 29 -18.596 5.783 0.035 1.00 0.00 C ATOM 112 CD GLU A 29 -19.662 4.971 0.742 1.00 0.00 C ATOM 113 OE1 GLU A 29 -19.380 3.810 1.106 1.00 0.00 O ATOM 114 OE2 GLU A 29 -20.780 5.495 0.931 1.00 0.00 O ATOM 0 H GLU A 29 -18.314 5.869 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.432 6.625 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.366 4.365 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.174 4.216 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.967 6.275 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.072 6.569 -0.550 1.00 0.00 H new ATOM 121 N LEU A 30 -15.591 4.141 -3.104 1.00 0.00 N ATOM 122 CA LEU A 30 -14.488 3.294 -3.533 1.00 0.00 C ATOM 123 C LEU A 30 -13.246 4.138 -3.793 1.00 0.00 C ATOM 124 O LEU A 30 -12.171 3.860 -3.261 1.00 0.00 O ATOM 125 CB LEU A 30 -14.884 2.518 -4.792 1.00 0.00 C ATOM 126 CG LEU A 30 -13.724 1.993 -5.639 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.913 0.975 -4.856 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.245 1.387 -6.934 1.00 0.00 C ATOM 0 H LEU A 30 -16.417 4.089 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.259 2.581 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.505 1.673 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.502 3.164 -5.416 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.071 2.828 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.092 0.612 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.512 1.443 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.553 0.139 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.407 1.018 -7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.919 0.561 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.783 2.147 -7.501 1.00 0.00 H new ATOM 140 N SER A 31 -13.407 5.182 -4.599 1.00 0.00 N ATOM 141 CA SER A 31 -12.301 6.080 -4.909 1.00 0.00 C ATOM 142 C SER A 31 -11.704 6.631 -3.618 1.00 0.00 C ATOM 143 O SER A 31 -10.530 6.993 -3.569 1.00 0.00 O ATOM 144 CB SER A 31 -12.777 7.228 -5.801 1.00 0.00 C ATOM 145 OG SER A 31 -13.430 6.737 -6.959 1.00 0.00 O ATOM 0 H SER A 31 -14.290 5.427 -5.048 1.00 0.00 H new ATOM 0 HA SER A 31 -11.535 5.520 -5.446 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.457 7.870 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.926 7.843 -6.093 1.00 0.00 H new ATOM 0 HG SER A 31 -13.726 7.490 -7.512 1.00 0.00 H new ATOM 151 N ASN A 32 -12.522 6.673 -2.566 1.00 0.00 N ATOM 152 CA ASN A 32 -12.071 7.155 -1.269 1.00 0.00 C ATOM 153 C ASN A 32 -11.080 6.163 -0.673 1.00 0.00 C ATOM 154 O ASN A 32 -10.070 6.551 -0.084 1.00 0.00 O ATOM 155 CB ASN A 32 -13.260 7.349 -0.325 1.00 0.00 C ATOM 156 CG ASN A 32 -13.270 8.723 0.317 1.00 0.00 C ATOM 157 OD1 ASN A 32 -13.169 8.851 1.537 1.00 0.00 O ATOM 158 ND2 ASN A 32 -13.392 9.759 -0.505 1.00 0.00 N ATOM 0 H ASN A 32 -13.498 6.379 -2.591 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.579 8.119 -1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.188 7.203 -0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.230 6.587 0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.405 10.708 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.473 9.606 -1.510 1.00 0.00 H new ATOM 165 N LEU A 33 -11.367 4.878 -0.859 1.00 0.00 N ATOM 166 CA LEU A 33 -10.491 3.823 -0.369 1.00 0.00 C ATOM 167 C LEU A 33 -9.244 3.777 -1.234 1.00 0.00 C ATOM 168 O LEU A 33 -8.124 3.684 -0.735 1.00 0.00 O ATOM 169 CB LEU A 33 -11.201 2.465 -0.396 1.00 0.00 C ATOM 170 CG LEU A 33 -12.710 2.505 -0.134 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.358 1.202 -0.568 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.989 2.782 1.335 1.00 0.00 C ATOM 0 H LEU A 33 -12.199 4.544 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.219 4.038 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.031 2.005 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.738 1.817 0.348 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.142 3.315 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.430 1.247 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.187 1.048 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.923 0.375 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.066 2.807 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.545 1.995 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.556 3.743 1.613 1.00 0.00 H new ATOM 184 N ILE A 34 -9.455 3.871 -2.540 1.00 0.00 N ATOM 185 CA ILE A 34 -8.363 3.872 -3.496 1.00 0.00 C ATOM 186 C ILE A 34 -7.492 5.104 -3.280 1.00 0.00 C ATOM 187 O ILE A 34 -6.264 5.019 -3.280 1.00 0.00 O ATOM 188 CB ILE A 34 -8.903 3.861 -4.942 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.477 2.487 -5.281 1.00 0.00 C ATOM 190 CG2 ILE A 34 -7.822 4.248 -5.943 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.193 2.444 -6.611 1.00 0.00 C ATOM 0 H ILE A 34 -10.381 3.948 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.767 2.973 -3.343 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.698 4.604 -5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.668 1.756 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.170 2.187 -4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.236 4.230 -6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.460 5.251 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.996 3.540 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.575 1.438 -6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.023 3.150 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.498 2.712 -7.407 1.00 0.00 H new ATOM 203 N GLU A 35 -8.142 6.249 -3.088 1.00 0.00 N ATOM 204 CA GLU A 35 -7.431 7.499 -2.861 1.00 0.00 C ATOM 205 C GLU A 35 -6.444 7.340 -1.713 1.00 0.00 C ATOM 206 O GLU A 35 -5.351 7.908 -1.734 1.00 0.00 O ATOM 207 CB GLU A 35 -8.417 8.628 -2.557 1.00 0.00 C ATOM 208 CG GLU A 35 -8.877 9.385 -3.793 1.00 0.00 C ATOM 209 CD GLU A 35 -7.820 10.333 -4.323 1.00 0.00 C ATOM 210 OE1 GLU A 35 -7.120 10.962 -3.502 1.00 0.00 O ATOM 211 OE2 GLU A 35 -7.692 10.448 -5.561 1.00 0.00 O ATOM 0 H GLU A 35 -9.158 6.335 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.880 7.754 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.288 8.212 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.951 9.329 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.144 8.672 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.779 9.949 -3.554 1.00 0.00 H new ATOM 218 N THR A 36 -6.826 6.539 -0.723 1.00 0.00 N ATOM 219 CA THR A 36 -5.959 6.284 0.415 1.00 0.00 C ATOM 220 C THR A 36 -4.892 5.281 0.006 1.00 0.00 C ATOM 221 O THR A 36 -3.714 5.446 0.317 1.00 0.00 O ATOM 222 CB THR A 36 -6.772 5.776 1.616 1.00 0.00 C ATOM 223 OG1 THR A 36 -6.408 6.476 2.793 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.605 4.295 1.897 1.00 0.00 C ATOM 0 H THR A 36 -7.725 6.059 -0.688 1.00 0.00 H new ATOM 0 HA THR A 36 -5.476 7.212 0.723 1.00 0.00 H new ATOM 0 HB THR A 36 -7.813 5.952 1.344 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.936 6.142 3.548 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.211 4.018 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.926 3.721 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.557 4.080 2.106 1.00 0.00 H new ATOM 232 N PHE A 37 -5.316 4.252 -0.724 1.00 0.00 N ATOM 233 CA PHE A 37 -4.396 3.235 -1.207 1.00 0.00 C ATOM 234 C PHE A 37 -3.297 3.891 -2.027 1.00 0.00 C ATOM 235 O PHE A 37 -2.124 3.546 -1.903 1.00 0.00 O ATOM 236 CB PHE A 37 -5.136 2.200 -2.055 1.00 0.00 C ATOM 237 CG PHE A 37 -4.409 0.888 -2.196 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.514 0.446 -1.226 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.618 0.100 -3.313 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.848 -0.756 -1.379 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.956 -1.101 -3.466 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.070 -1.528 -2.499 1.00 0.00 C ATOM 0 H PHE A 37 -6.289 4.104 -0.992 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.954 2.725 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.114 2.015 -1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.309 2.616 -3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.338 1.047 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.308 0.429 -4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.154 -1.090 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.132 -1.707 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.550 -2.467 -2.619 1.00 0.00 H new ATOM 252 N ALA A 38 -3.687 4.860 -2.851 1.00 0.00 N ATOM 253 CA ALA A 38 -2.732 5.590 -3.671 1.00 0.00 C ATOM 254 C ALA A 38 -1.694 6.255 -2.779 1.00 0.00 C ATOM 255 O ALA A 38 -0.501 6.248 -3.079 1.00 0.00 O ATOM 256 CB ALA A 38 -3.447 6.625 -4.527 1.00 0.00 C ATOM 0 H ALA A 38 -4.656 5.155 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.228 4.891 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.718 7.162 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.164 6.126 -5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.972 7.330 -3.883 1.00 0.00 H new ATOM 262 N GLU A 39 -2.162 6.806 -1.661 1.00 0.00 N ATOM 263 CA GLU A 39 -1.280 7.451 -0.701 1.00 0.00 C ATOM 264 C GLU A 39 -0.440 6.389 0.005 1.00 0.00 C ATOM 265 O GLU A 39 0.779 6.519 0.121 1.00 0.00 O ATOM 266 CB GLU A 39 -2.104 8.273 0.305 1.00 0.00 C ATOM 267 CG GLU A 39 -1.674 8.122 1.759 1.00 0.00 C ATOM 268 CD GLU A 39 -2.097 9.300 2.616 1.00 0.00 C ATOM 269 OE1 GLU A 39 -1.618 10.424 2.358 1.00 0.00 O ATOM 270 OE2 GLU A 39 -2.906 9.098 3.545 1.00 0.00 O ATOM 0 H GLU A 39 -3.148 6.817 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.609 8.137 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.041 9.326 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.151 7.983 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.103 7.207 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.590 8.014 1.805 1.00 0.00 H new ATOM 277 N GLN A 40 -1.105 5.329 0.455 1.00 0.00 N ATOM 278 CA GLN A 40 -0.430 4.229 1.126 1.00 0.00 C ATOM 279 C GLN A 40 0.599 3.604 0.192 1.00 0.00 C ATOM 280 O GLN A 40 1.674 3.186 0.622 1.00 0.00 O ATOM 281 CB GLN A 40 -1.444 3.174 1.570 1.00 0.00 C ATOM 282 CG GLN A 40 -2.571 3.730 2.426 1.00 0.00 C ATOM 283 CD GLN A 40 -2.215 3.778 3.897 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.064 3.567 4.278 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.207 4.055 4.733 1.00 0.00 N ATOM 0 H GLN A 40 -2.114 5.211 0.365 1.00 0.00 H new ATOM 0 HA GLN A 40 0.079 4.616 2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.871 2.699 0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.924 2.397 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.821 4.734 2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.462 3.116 2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.146 4.223 4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.031 4.100 5.737 1.00 0.00 H new ATOM 294 N SER A 41 0.262 3.560 -1.096 1.00 0.00 N ATOM 295 CA SER A 41 1.157 3.005 -2.103 1.00 0.00 C ATOM 296 C SER A 41 2.464 3.782 -2.112 1.00 0.00 C ATOM 297 O SER A 41 3.544 3.204 -1.988 1.00 0.00 O ATOM 298 CB SER A 41 0.504 3.056 -3.486 1.00 0.00 C ATOM 299 OG SER A 41 -0.616 2.190 -3.554 1.00 0.00 O ATOM 0 H SER A 41 -0.625 3.903 -1.464 1.00 0.00 H new ATOM 0 HA SER A 41 1.361 1.963 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.192 4.077 -3.707 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.232 2.774 -4.246 1.00 0.00 H new ATOM 0 HG SER A 41 -1.299 2.488 -2.917 1.00 0.00 H new ATOM 305 N ARG A 42 2.356 5.102 -2.227 1.00 0.00 N ATOM 306 CA ARG A 42 3.534 5.959 -2.213 1.00 0.00 C ATOM 307 C ARG A 42 4.211 5.853 -0.856 1.00 0.00 C ATOM 308 O ARG A 42 5.428 5.974 -0.742 1.00 0.00 O ATOM 309 CB ARG A 42 3.165 7.420 -2.494 1.00 0.00 C ATOM 310 CG ARG A 42 1.949 7.596 -3.389 1.00 0.00 C ATOM 311 CD ARG A 42 2.135 8.749 -4.363 1.00 0.00 C ATOM 312 NE ARG A 42 0.865 9.375 -4.722 1.00 0.00 N ATOM 313 CZ ARG A 42 0.048 8.909 -5.664 1.00 0.00 C ATOM 314 NH1 ARG A 42 0.357 7.808 -6.338 1.00 0.00 N ATOM 315 NH2 ARG A 42 -1.085 9.544 -5.931 1.00 0.00 N ATOM 0 H ARG A 42 1.471 5.598 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 42 4.212 5.627 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.980 7.925 -1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.018 7.915 -2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.768 6.675 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.067 7.776 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.794 9.495 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.627 8.385 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 42 0.588 10.219 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.226 7.313 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.274 7.457 -7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.330 10.389 -5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.712 9.188 -6.653 1.00 0.00 H new ATOM 329 N VAL A 43 3.406 5.609 0.172 1.00 0.00 N ATOM 330 CA VAL A 43 3.919 5.465 1.522 1.00 0.00 C ATOM 331 C VAL A 43 4.803 4.229 1.614 1.00 0.00 C ATOM 332 O VAL A 43 5.943 4.302 2.064 1.00 0.00 O ATOM 333 CB VAL A 43 2.770 5.374 2.548 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.180 4.579 3.777 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.314 6.765 2.945 1.00 0.00 C ATOM 0 H VAL A 43 2.394 5.507 0.092 1.00 0.00 H new ATOM 0 HA VAL A 43 4.512 6.349 1.757 1.00 0.00 H new ATOM 0 HB VAL A 43 1.940 4.847 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.346 4.536 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.457 3.567 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.031 5.063 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.503 6.689 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.148 7.308 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.963 7.299 2.062 1.00 0.00 H new ATOM 345 N LEU A 44 4.283 3.092 1.167 1.00 0.00 N ATOM 346 CA LEU A 44 5.057 1.862 1.194 1.00 0.00 C ATOM 347 C LEU A 44 6.398 2.099 0.516 1.00 0.00 C ATOM 348 O LEU A 44 7.444 1.784 1.069 1.00 0.00 O ATOM 349 CB LEU A 44 4.293 0.722 0.500 1.00 0.00 C ATOM 350 CG LEU A 44 4.171 -0.603 1.279 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.278 -1.570 0.884 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.182 -0.378 2.784 1.00 0.00 C ATOM 0 H LEU A 44 3.341 2.998 0.787 1.00 0.00 H new ATOM 0 HA LEU A 44 5.224 1.567 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.288 1.076 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.782 0.514 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 44 3.209 -1.042 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.170 -2.497 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.211 -1.784 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.247 -1.123 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.094 -1.336 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.116 0.103 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.344 0.260 3.063 1.00 0.00 H new ATOM 364 N GLU A 45 6.362 2.694 -0.671 1.00 0.00 N ATOM 365 CA GLU A 45 7.588 2.992 -1.393 1.00 0.00 C ATOM 366 C GLU A 45 8.420 4.012 -0.615 1.00 0.00 C ATOM 367 O GLU A 45 9.647 4.015 -0.697 1.00 0.00 O ATOM 368 CB GLU A 45 7.270 3.491 -2.812 1.00 0.00 C ATOM 369 CG GLU A 45 7.350 5.000 -2.983 1.00 0.00 C ATOM 370 CD GLU A 45 6.804 5.464 -4.319 1.00 0.00 C ATOM 371 OE1 GLU A 45 6.787 4.653 -5.269 1.00 0.00 O ATOM 372 OE2 GLU A 45 6.394 6.640 -4.417 1.00 0.00 O ATOM 0 H GLU A 45 5.506 2.976 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 45 8.175 2.079 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.961 3.022 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.268 3.160 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.794 5.483 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.388 5.318 -2.888 1.00 0.00 H new ATOM 379 N LYS A 46 7.742 4.865 0.154 1.00 0.00 N ATOM 380 CA LYS A 46 8.428 5.871 0.959 1.00 0.00 C ATOM 381 C LYS A 46 9.139 5.203 2.131 1.00 0.00 C ATOM 382 O LYS A 46 10.340 5.390 2.337 1.00 0.00 O ATOM 383 CB LYS A 46 7.439 6.950 1.444 1.00 0.00 C ATOM 384 CG LYS A 46 7.004 6.827 2.904 1.00 0.00 C ATOM 385 CD LYS A 46 6.057 7.944 3.306 1.00 0.00 C ATOM 386 CE LYS A 46 5.491 7.714 4.698 1.00 0.00 C ATOM 387 NZ LYS A 46 6.359 8.301 5.756 1.00 0.00 N ATOM 0 H LYS A 46 6.725 4.878 0.235 1.00 0.00 H new ATOM 0 HA LYS A 46 9.177 6.367 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.895 7.929 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.551 6.916 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.517 5.864 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.883 6.846 3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.584 8.898 3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.242 8.009 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.495 8.152 4.762 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.380 6.644 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.806 8.430 6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.157 7.662 5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.721 9.222 5.437 1.00 0.00 H new ATOM 401 N GLU A 47 8.397 4.402 2.885 1.00 0.00 N ATOM 402 CA GLU A 47 8.968 3.692 4.015 1.00 0.00 C ATOM 403 C GLU A 47 9.936 2.629 3.520 1.00 0.00 C ATOM 404 O GLU A 47 10.957 2.364 4.148 1.00 0.00 O ATOM 405 CB GLU A 47 7.868 3.046 4.857 1.00 0.00 C ATOM 406 CG GLU A 47 7.077 4.032 5.702 1.00 0.00 C ATOM 407 CD GLU A 47 7.959 5.033 6.425 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.572 4.656 7.446 1.00 0.00 O ATOM 409 OE2 GLU A 47 8.037 6.193 5.969 1.00 0.00 O ATOM 0 H GLU A 47 7.403 4.230 2.733 1.00 0.00 H new ATOM 0 HA GLU A 47 9.506 4.406 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.181 2.517 4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.317 2.300 5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.376 4.569 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.485 3.482 6.434 1.00 0.00 H new ATOM 416 N CYS A 48 9.604 2.031 2.381 1.00 0.00 N ATOM 417 CA CYS A 48 10.436 0.996 1.784 1.00 0.00 C ATOM 418 C CYS A 48 11.741 1.578 1.255 1.00 0.00 C ATOM 419 O CYS A 48 12.780 0.919 1.292 1.00 0.00 O ATOM 420 CB CYS A 48 9.683 0.298 0.651 1.00 0.00 C ATOM 421 SG CYS A 48 8.310 -0.738 1.208 1.00 0.00 S ATOM 0 H CYS A 48 8.760 2.248 1.851 1.00 0.00 H new ATOM 0 HA CYS A 48 10.673 0.268 2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.300 1.053 -0.036 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.384 -0.318 0.088 1.00 0.00 H new ATOM 0 HG CYS A 48 8.747 -1.615 2.062 1.00 0.00 H new ATOM 427 N THR A 49 11.690 2.814 0.761 1.00 0.00 N ATOM 428 CA THR A 49 12.887 3.454 0.231 1.00 0.00 C ATOM 429 C THR A 49 13.891 3.724 1.346 1.00 0.00 C ATOM 430 O THR A 49 15.101 3.725 1.116 1.00 0.00 O ATOM 431 CB THR A 49 12.539 4.754 -0.507 1.00 0.00 C ATOM 432 OG1 THR A 49 13.636 5.189 -1.290 1.00 0.00 O ATOM 433 CG2 THR A 49 12.151 5.899 0.405 1.00 0.00 C ATOM 0 H THR A 49 10.845 3.383 0.718 1.00 0.00 H new ATOM 0 HA THR A 49 13.342 2.771 -0.486 1.00 0.00 H new ATOM 0 HB THR A 49 11.675 4.503 -1.122 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.398 6.018 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.920 6.780 -0.195 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.275 5.618 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.978 6.125 1.078 1.00 0.00 H new ATOM 441 N LYS A 50 13.387 3.953 2.557 1.00 0.00 N ATOM 442 CA LYS A 50 14.256 4.221 3.695 1.00 0.00 C ATOM 443 C LYS A 50 14.714 2.925 4.371 1.00 0.00 C ATOM 444 O LYS A 50 15.705 2.920 5.101 1.00 0.00 O ATOM 445 CB LYS A 50 13.554 5.142 4.700 1.00 0.00 C ATOM 446 CG LYS A 50 12.684 4.416 5.715 1.00 0.00 C ATOM 447 CD LYS A 50 11.419 5.200 6.017 1.00 0.00 C ATOM 448 CE LYS A 50 11.721 6.446 6.832 1.00 0.00 C ATOM 449 NZ LYS A 50 11.557 6.209 8.293 1.00 0.00 N ATOM 0 H LYS A 50 12.390 3.958 2.772 1.00 0.00 H new ATOM 0 HA LYS A 50 15.147 4.727 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.309 5.720 5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.936 5.853 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.421 3.430 5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.247 4.261 6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.933 5.483 5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.718 4.568 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.741 6.773 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.059 7.253 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.772 7.084 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.577 5.921 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.207 5.456 8.598 1.00 0.00 H new ATOM 463 N ILE A 51 13.998 1.823 4.124 1.00 0.00 N ATOM 464 CA ILE A 51 14.359 0.537 4.717 1.00 0.00 C ATOM 465 C ILE A 51 15.837 0.234 4.488 1.00 0.00 C ATOM 466 O ILE A 51 16.321 0.262 3.356 1.00 0.00 O ATOM 467 CB ILE A 51 13.502 -0.620 4.147 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.053 -0.491 4.635 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.091 -1.978 4.535 1.00 0.00 C ATOM 470 CD1 ILE A 51 11.846 -0.918 6.072 1.00 0.00 C ATOM 0 H ILE A 51 13.174 1.798 3.523 1.00 0.00 H new ATOM 0 HA ILE A 51 14.164 0.613 5.787 1.00 0.00 H new ATOM 0 HB ILE A 51 13.509 -0.555 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.735 0.546 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.409 -1.092 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.471 -2.774 4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.102 -2.063 4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.119 -2.065 5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.796 -0.797 6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.131 -1.964 6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.461 -0.301 6.727 1.00 0.00 H new ATOM 606 N LEU A 60 10.037 1.289 12.185 1.00 0.00 N ATOM 607 CA LEU A 60 9.647 1.493 10.798 1.00 0.00 C ATOM 608 C LEU A 60 9.099 0.194 10.215 1.00 0.00 C ATOM 609 O LEU A 60 7.948 0.138 9.783 1.00 0.00 O ATOM 610 CB LEU A 60 10.839 2.011 9.976 1.00 0.00 C ATOM 611 CG LEU A 60 10.960 1.468 8.546 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.657 1.659 7.784 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.109 2.148 7.817 1.00 0.00 C ATOM 0 HA LEU A 60 8.860 2.246 10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.775 3.098 9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.756 1.770 10.513 1.00 0.00 H new ATOM 0 HG LEU A 60 11.168 0.399 8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.766 1.267 6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.855 1.126 8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.415 2.721 7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.182 1.752 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.928 3.222 7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.041 1.958 8.349 1.00 0.00 H new ATOM 625 N ARG A 61 9.922 -0.854 10.211 1.00 0.00 N ATOM 626 CA ARG A 61 9.488 -2.143 9.682 1.00 0.00 C ATOM 627 C ARG A 61 8.237 -2.614 10.412 1.00 0.00 C ATOM 628 O ARG A 61 7.375 -3.268 9.825 1.00 0.00 O ATOM 629 CB ARG A 61 10.595 -3.199 9.786 1.00 0.00 C ATOM 630 CG ARG A 61 11.491 -3.040 11.000 1.00 0.00 C ATOM 631 CD ARG A 61 12.837 -2.437 10.629 1.00 0.00 C ATOM 632 NE ARG A 61 13.454 -3.104 9.484 1.00 0.00 N ATOM 633 CZ ARG A 61 13.851 -4.376 9.481 1.00 0.00 C ATOM 634 NH1 ARG A 61 13.689 -5.139 10.554 1.00 0.00 N ATOM 635 NH2 ARG A 61 14.419 -4.885 8.398 1.00 0.00 N ATOM 0 H ARG A 61 10.879 -0.836 10.563 1.00 0.00 H new ATOM 0 HA ARG A 61 9.258 -2.010 8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.137 -4.188 9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.209 -3.156 8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.998 -2.405 11.736 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.644 -4.012 11.469 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.707 -1.379 10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.508 -2.499 11.486 1.00 0.00 H new ATOM 0 HE ARG A 61 13.589 -2.560 8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.256 -4.753 11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.997 -6.111 10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.551 -4.304 7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.724 -5.858 8.392 1.00 0.00 H new ATOM 649 N TYR A 62 8.123 -2.249 11.690 1.00 0.00 N ATOM 650 CA TYR A 62 6.952 -2.614 12.470 1.00 0.00 C ATOM 651 C TYR A 62 5.758 -1.822 11.965 1.00 0.00 C ATOM 652 O TYR A 62 4.744 -2.387 11.573 1.00 0.00 O ATOM 653 CB TYR A 62 7.180 -2.339 13.959 1.00 0.00 C ATOM 654 CG TYR A 62 7.442 -3.586 14.773 1.00 0.00 C ATOM 655 CD1 TYR A 62 6.391 -4.352 15.263 1.00 0.00 C ATOM 656 CD2 TYR A 62 8.739 -3.998 15.051 1.00 0.00 C ATOM 657 CE1 TYR A 62 6.625 -5.492 16.007 1.00 0.00 C ATOM 658 CE2 TYR A 62 8.981 -5.138 15.795 1.00 0.00 C ATOM 659 CZ TYR A 62 7.921 -5.880 16.271 1.00 0.00 C ATOM 660 OH TYR A 62 8.158 -7.015 17.012 1.00 0.00 O ATOM 0 H TYR A 62 8.822 -1.707 12.198 1.00 0.00 H new ATOM 0 HA TYR A 62 6.763 -3.681 12.354 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.025 -1.660 14.069 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.306 -1.829 14.363 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.374 -4.051 15.059 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.572 -3.419 14.680 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.797 -6.076 16.380 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.995 -5.446 16.002 1.00 0.00 H new ATOM 0 HH TYR A 62 9.124 -7.148 17.106 1.00 0.00 H new ATOM 670 N LYS A 63 5.906 -0.504 11.946 1.00 0.00 N ATOM 671 CA LYS A 63 4.857 0.377 11.456 1.00 0.00 C ATOM 672 C LYS A 63 4.473 -0.017 10.031 1.00 0.00 C ATOM 673 O LYS A 63 3.325 0.132 9.617 1.00 0.00 O ATOM 674 CB LYS A 63 5.344 1.832 11.507 1.00 0.00 C ATOM 675 CG LYS A 63 4.512 2.809 10.689 1.00 0.00 C ATOM 676 CD LYS A 63 5.351 3.980 10.204 1.00 0.00 C ATOM 677 CE LYS A 63 5.787 3.795 8.759 1.00 0.00 C ATOM 678 NZ LYS A 63 5.128 4.774 7.850 1.00 0.00 N ATOM 0 H LYS A 63 6.746 -0.021 12.266 1.00 0.00 H new ATOM 0 HA LYS A 63 3.974 0.282 12.088 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.351 2.162 12.546 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.375 1.869 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.077 2.292 9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.683 3.178 11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.778 4.902 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.230 4.086 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.869 3.906 8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.549 2.782 8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.760 4.278 7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.343 5.238 8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.820 5.490 7.551 1.00 0.00 H new ATOM 692 N ILE A 64 5.452 -0.517 9.288 1.00 0.00 N ATOM 693 CA ILE A 64 5.238 -0.931 7.915 1.00 0.00 C ATOM 694 C ILE A 64 4.366 -2.190 7.832 1.00 0.00 C ATOM 695 O ILE A 64 3.353 -2.207 7.134 1.00 0.00 O ATOM 696 CB ILE A 64 6.600 -1.177 7.219 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.916 -0.028 6.261 1.00 0.00 C ATOM 698 CG2 ILE A 64 6.628 -2.512 6.488 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.083 -0.300 5.333 1.00 0.00 C ATOM 0 H ILE A 64 6.408 -0.645 9.620 1.00 0.00 H new ATOM 0 HA ILE A 64 4.708 -0.128 7.402 1.00 0.00 H new ATOM 0 HB ILE A 64 7.368 -1.216 7.991 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.031 0.185 5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.130 0.868 6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.600 -2.647 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.456 -3.320 7.199 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.848 -2.527 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.242 0.563 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.982 -0.483 5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.866 -1.176 4.722 1.00 0.00 H new ATOM 711 N GLU A 65 4.783 -3.246 8.523 1.00 0.00 N ATOM 712 CA GLU A 65 4.059 -4.515 8.496 1.00 0.00 C ATOM 713 C GLU A 65 2.878 -4.539 9.466 1.00 0.00 C ATOM 714 O GLU A 65 1.936 -5.307 9.277 1.00 0.00 O ATOM 715 CB GLU A 65 5.012 -5.667 8.817 1.00 0.00 C ATOM 716 CG GLU A 65 6.244 -5.701 7.926 1.00 0.00 C ATOM 717 CD GLU A 65 6.765 -7.108 7.706 1.00 0.00 C ATOM 718 OE1 GLU A 65 6.793 -7.890 8.679 1.00 0.00 O ATOM 719 OE2 GLU A 65 7.144 -7.428 6.559 1.00 0.00 O ATOM 0 H GLU A 65 5.618 -3.250 9.109 1.00 0.00 H new ATOM 0 HA GLU A 65 3.656 -4.631 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.328 -5.588 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.475 -6.611 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.004 -5.252 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.029 -5.093 8.375 1.00 0.00 H new ATOM 726 N THR A 66 2.937 -3.724 10.512 1.00 0.00 N ATOM 727 CA THR A 66 1.877 -3.690 11.502 1.00 0.00 C ATOM 728 C THR A 66 0.940 -2.495 11.313 1.00 0.00 C ATOM 729 O THR A 66 -0.078 -2.394 11.998 1.00 0.00 O ATOM 730 CB THR A 66 2.484 -3.653 12.900 1.00 0.00 C ATOM 731 OG1 THR A 66 2.989 -2.364 13.199 1.00 0.00 O ATOM 732 CG2 THR A 66 3.607 -4.650 13.098 1.00 0.00 C ATOM 0 H THR A 66 3.707 -3.080 10.693 1.00 0.00 H new ATOM 0 HA THR A 66 1.280 -4.593 11.374 1.00 0.00 H new ATOM 0 HB THR A 66 1.667 -3.919 13.571 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.379 -1.970 12.391 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.991 -4.568 14.115 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.231 -5.660 12.933 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.408 -4.441 12.389 1.00 0.00 H new ATOM 740 N GLU A 67 1.277 -1.585 10.399 1.00 0.00 N ATOM 741 CA GLU A 67 0.434 -0.412 10.171 1.00 0.00 C ATOM 742 C GLU A 67 0.254 -0.105 8.680 1.00 0.00 C ATOM 743 O GLU A 67 -0.864 0.144 8.230 1.00 0.00 O ATOM 744 CB GLU A 67 1.007 0.803 10.921 1.00 0.00 C ATOM 745 CG GLU A 67 1.048 2.092 10.109 1.00 0.00 C ATOM 746 CD GLU A 67 1.247 3.321 10.975 1.00 0.00 C ATOM 747 OE1 GLU A 67 1.632 3.163 12.153 1.00 0.00 O ATOM 748 OE2 GLU A 67 1.019 4.443 10.475 1.00 0.00 O ATOM 0 H GLU A 67 2.111 -1.635 9.815 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.558 -0.636 10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.411 0.973 11.818 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.018 0.565 11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.855 2.032 9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.119 2.194 9.549 1.00 0.00 H new ATOM 755 N LEU A 68 1.345 -0.105 7.917 1.00 0.00 N ATOM 756 CA LEU A 68 1.262 0.197 6.489 1.00 0.00 C ATOM 757 C LEU A 68 0.619 -0.952 5.710 1.00 0.00 C ATOM 758 O LEU A 68 -0.595 -0.963 5.511 1.00 0.00 O ATOM 759 CB LEU A 68 2.645 0.523 5.915 1.00 0.00 C ATOM 760 CG LEU A 68 3.242 1.858 6.367 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.508 2.170 5.583 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.225 2.980 6.208 1.00 0.00 C ATOM 0 H LEU A 68 2.285 -0.308 8.257 1.00 0.00 H new ATOM 0 HA LEU A 68 0.626 1.076 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.333 -0.276 6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.578 0.523 4.827 1.00 0.00 H new ATOM 0 HG LEU A 68 3.502 1.778 7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.918 3.123 5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.242 1.381 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.272 2.230 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.668 3.921 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.933 3.060 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.346 2.763 6.815 1.00 0.00 H new ATOM 774 N ILE A 69 1.436 -1.910 5.262 1.00 0.00 N ATOM 775 CA ILE A 69 0.946 -3.056 4.495 1.00 0.00 C ATOM 776 C ILE A 69 -0.416 -3.547 4.997 1.00 0.00 C ATOM 777 O ILE A 69 -1.365 -3.648 4.220 1.00 0.00 O ATOM 778 CB ILE A 69 1.974 -4.211 4.514 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.054 -3.945 3.467 1.00 0.00 C ATOM 780 CG2 ILE A 69 1.312 -5.562 4.262 1.00 0.00 C ATOM 781 CD1 ILE A 69 4.336 -4.704 3.709 1.00 0.00 C ATOM 0 H ILE A 69 2.444 -1.913 5.419 1.00 0.00 H new ATOM 0 HA ILE A 69 0.814 -2.718 3.467 1.00 0.00 H new ATOM 0 HB ILE A 69 2.424 -4.252 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.666 -4.209 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.273 -2.877 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.068 -6.347 4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.569 -5.753 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.826 -5.553 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.054 -4.464 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.748 -4.422 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.132 -5.775 3.699 1.00 0.00 H new ATOM 793 N PRO A 70 -0.541 -3.850 6.301 1.00 0.00 N ATOM 794 CA PRO A 70 -1.803 -4.317 6.877 1.00 0.00 C ATOM 795 C PRO A 70 -2.969 -3.409 6.506 1.00 0.00 C ATOM 796 O PRO A 70 -4.086 -3.873 6.283 1.00 0.00 O ATOM 797 CB PRO A 70 -1.560 -4.276 8.393 1.00 0.00 C ATOM 798 CG PRO A 70 -0.271 -3.545 8.577 1.00 0.00 C ATOM 799 CD PRO A 70 0.514 -3.759 7.317 1.00 0.00 C ATOM 0 HA PRO A 70 -2.071 -5.307 6.509 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.375 -3.767 8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.502 -5.282 8.807 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.447 -2.483 8.751 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.272 -3.924 9.443 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.198 -2.934 7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.115 -4.668 7.362 1.00 0.00 H new ATOM 807 N ASN A 71 -2.697 -2.110 6.444 1.00 0.00 N ATOM 808 CA ASN A 71 -3.718 -1.128 6.102 1.00 0.00 C ATOM 809 C ASN A 71 -3.845 -0.968 4.591 1.00 0.00 C ATOM 810 O ASN A 71 -4.944 -0.777 4.071 1.00 0.00 O ATOM 811 CB ASN A 71 -3.392 0.223 6.743 1.00 0.00 C ATOM 812 CG ASN A 71 -3.653 0.233 8.237 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.319 -0.655 8.769 1.00 0.00 O ATOM 814 ND2 ASN A 71 -3.127 1.242 8.922 1.00 0.00 N ATOM 0 H ASN A 71 -1.776 -1.713 6.627 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.671 -1.488 6.489 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.346 0.467 6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.989 1.001 6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.268 1.303 9.930 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.582 1.956 8.440 1.00 0.00 H new ATOM 821 N CYS A 72 -2.719 -1.051 3.886 1.00 0.00 N ATOM 822 CA CYS A 72 -2.726 -0.919 2.435 1.00 0.00 C ATOM 823 C CYS A 72 -3.524 -2.053 1.812 1.00 0.00 C ATOM 824 O CYS A 72 -4.477 -1.820 1.067 1.00 0.00 O ATOM 825 CB CYS A 72 -1.301 -0.911 1.873 1.00 0.00 C ATOM 826 SG CYS A 72 -0.117 0.054 2.839 1.00 0.00 S ATOM 0 H CYS A 72 -1.797 -1.208 4.294 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.195 0.032 2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.944 -1.939 1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.327 -0.517 0.857 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.515 0.118 4.075 1.00 0.00 H new ATOM 832 N THR A 73 -3.142 -3.283 2.136 1.00 0.00 N ATOM 833 CA THR A 73 -3.838 -4.448 1.619 1.00 0.00 C ATOM 834 C THR A 73 -5.266 -4.470 2.151 1.00 0.00 C ATOM 835 O THR A 73 -6.211 -4.719 1.406 1.00 0.00 O ATOM 836 CB THR A 73 -3.097 -5.730 2.001 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.492 -6.807 1.171 1.00 0.00 O ATOM 838 CG2 THR A 73 -3.323 -6.149 3.436 1.00 0.00 C ATOM 0 H THR A 73 -2.357 -3.496 2.752 1.00 0.00 H new ATOM 0 HA THR A 73 -3.869 -4.390 0.531 1.00 0.00 H new ATOM 0 HB THR A 73 -2.040 -5.499 1.870 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.005 -7.616 1.431 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.769 -7.065 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.978 -5.360 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.386 -6.324 3.601 1.00 0.00 H new ATOM 846 N SER A 74 -5.424 -4.171 3.440 1.00 0.00 N ATOM 847 CA SER A 74 -6.751 -4.123 4.039 1.00 0.00 C ATOM 848 C SER A 74 -7.610 -3.143 3.251 1.00 0.00 C ATOM 849 O SER A 74 -8.823 -3.310 3.128 1.00 0.00 O ATOM 850 CB SER A 74 -6.671 -3.696 5.505 1.00 0.00 C ATOM 851 OG SER A 74 -7.944 -3.317 5.997 1.00 0.00 O ATOM 0 H SER A 74 -4.658 -3.961 4.080 1.00 0.00 H new ATOM 0 HA SER A 74 -7.197 -5.117 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.276 -4.516 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.976 -2.863 5.607 1.00 0.00 H new ATOM 0 HG SER A 74 -7.865 -3.050 6.937 1.00 0.00 H new ATOM 857 N VAL A 75 -6.945 -2.134 2.694 1.00 0.00 N ATOM 858 CA VAL A 75 -7.603 -1.127 1.883 1.00 0.00 C ATOM 859 C VAL A 75 -8.018 -1.745 0.545 1.00 0.00 C ATOM 860 O VAL A 75 -9.028 -1.358 -0.044 1.00 0.00 O ATOM 861 CB VAL A 75 -6.665 0.094 1.680 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.516 0.477 0.216 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.149 1.284 2.495 1.00 0.00 C ATOM 0 H VAL A 75 -5.939 -1.996 2.795 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.500 -0.772 2.391 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.678 -0.203 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.850 1.336 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.098 -0.363 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.493 0.733 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.478 2.129 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.156 1.557 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.160 1.020 3.553 1.00 0.00 H new ATOM 873 N ARG A 76 -7.244 -2.734 0.093 1.00 0.00 N ATOM 874 CA ARG A 76 -7.544 -3.437 -1.149 1.00 0.00 C ATOM 875 C ARG A 76 -8.834 -4.223 -0.987 1.00 0.00 C ATOM 876 O ARG A 76 -9.787 -4.034 -1.738 1.00 0.00 O ATOM 877 CB ARG A 76 -6.414 -4.405 -1.509 1.00 0.00 C ATOM 878 CG ARG A 76 -5.091 -3.732 -1.831 1.00 0.00 C ATOM 879 CD ARG A 76 -3.992 -4.762 -2.047 1.00 0.00 C ATOM 880 NE ARG A 76 -4.361 -5.748 -3.059 1.00 0.00 N ATOM 881 CZ ARG A 76 -3.557 -6.727 -3.468 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.338 -6.852 -2.957 1.00 0.00 N ATOM 883 NH2 ARG A 76 -3.972 -7.584 -4.391 1.00 0.00 N ATOM 0 H ARG A 76 -6.405 -3.064 0.571 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.648 -2.701 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.264 -5.095 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.723 -5.002 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.200 -3.118 -2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.812 -3.063 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.075 -4.256 -2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.780 -5.270 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.289 -5.683 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.013 -6.196 -2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.727 -7.604 -3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.907 -7.493 -4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.356 -8.334 -4.704 1.00 0.00 H new ATOM 897 N ASP A 77 -8.855 -5.106 0.014 1.00 0.00 N ATOM 898 CA ASP A 77 -10.032 -5.923 0.292 1.00 0.00 C ATOM 899 C ASP A 77 -11.284 -5.056 0.305 1.00 0.00 C ATOM 900 O ASP A 77 -12.354 -5.481 -0.130 1.00 0.00 O ATOM 901 CB ASP A 77 -9.874 -6.644 1.634 1.00 0.00 C ATOM 902 CG ASP A 77 -10.105 -8.138 1.517 1.00 0.00 C ATOM 903 OD1 ASP A 77 -9.494 -8.766 0.627 1.00 0.00 O ATOM 904 OD2 ASP A 77 -10.898 -8.680 2.315 1.00 0.00 O ATOM 0 H ASP A 77 -8.070 -5.271 0.643 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.131 -6.670 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.873 -6.463 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.578 -6.225 2.354 1.00 0.00 H new ATOM 909 N LYS A 78 -11.131 -3.829 0.790 1.00 0.00 N ATOM 910 CA LYS A 78 -12.238 -2.888 0.840 1.00 0.00 C ATOM 911 C LYS A 78 -12.629 -2.484 -0.574 1.00 0.00 C ATOM 912 O LYS A 78 -13.812 -2.409 -0.910 1.00 0.00 O ATOM 913 CB LYS A 78 -11.849 -1.654 1.660 1.00 0.00 C ATOM 914 CG LYS A 78 -12.116 -1.805 3.149 1.00 0.00 C ATOM 915 CD LYS A 78 -12.825 -0.586 3.718 1.00 0.00 C ATOM 916 CE LYS A 78 -11.837 0.495 4.125 1.00 0.00 C ATOM 917 NZ LYS A 78 -12.427 1.447 5.107 1.00 0.00 N ATOM 0 H LYS A 78 -10.250 -3.465 1.154 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.091 -3.365 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.790 -1.446 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.400 -0.791 1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.723 -2.693 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.173 -1.956 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.517 -0.187 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.420 -0.881 4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.950 0.032 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.512 1.042 3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.721 2.168 5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.259 1.908 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.714 0.930 5.963 1.00 0.00 H new ATOM 931 N ILE A 79 -11.620 -2.247 -1.404 1.00 0.00 N ATOM 932 CA ILE A 79 -11.839 -1.873 -2.791 1.00 0.00 C ATOM 933 C ILE A 79 -12.350 -3.072 -3.583 1.00 0.00 C ATOM 934 O ILE A 79 -13.303 -2.962 -4.354 1.00 0.00 O ATOM 935 CB ILE A 79 -10.535 -1.344 -3.423 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.199 0.036 -2.859 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.641 -1.293 -4.939 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.743 0.411 -3.013 1.00 0.00 C ATOM 0 H ILE A 79 -10.638 -2.308 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.587 -1.080 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.729 -2.032 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.814 0.784 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.463 0.062 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.707 -0.916 -5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.833 -2.294 -5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.459 -0.632 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.576 1.402 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.123 -0.316 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.479 0.418 -4.070 1.00 0.00 H new ATOM 950 N GLU A 80 -11.712 -4.219 -3.376 1.00 0.00 N ATOM 951 CA GLU A 80 -12.103 -5.442 -4.057 1.00 0.00 C ATOM 952 C GLU A 80 -13.483 -5.886 -3.590 1.00 0.00 C ATOM 953 O GLU A 80 -14.255 -6.460 -4.358 1.00 0.00 O ATOM 954 CB GLU A 80 -11.080 -6.549 -3.799 1.00 0.00 C ATOM 955 CG GLU A 80 -9.666 -6.179 -4.215 1.00 0.00 C ATOM 956 CD GLU A 80 -8.716 -7.359 -4.166 1.00 0.00 C ATOM 957 OE1 GLU A 80 -9.155 -8.487 -4.475 1.00 0.00 O ATOM 958 OE2 GLU A 80 -7.534 -7.156 -3.819 1.00 0.00 O ATOM 0 H GLU A 80 -10.921 -4.324 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.139 -5.245 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.085 -6.796 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.385 -7.447 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.683 -5.773 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.294 -5.390 -3.561 1.00 0.00 H new ATOM 965 N SER A 81 -13.794 -5.603 -2.327 1.00 0.00 N ATOM 966 CA SER A 81 -15.090 -5.962 -1.767 1.00 0.00 C ATOM 967 C SER A 81 -16.197 -5.233 -2.516 1.00 0.00 C ATOM 968 O SER A 81 -17.286 -5.769 -2.720 1.00 0.00 O ATOM 969 CB SER A 81 -15.145 -5.614 -0.278 1.00 0.00 C ATOM 970 OG SER A 81 -14.725 -6.709 0.517 1.00 0.00 O ATOM 0 H SER A 81 -13.168 -5.128 -1.676 1.00 0.00 H new ATOM 0 HA SER A 81 -15.233 -7.037 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.509 -4.751 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.161 -5.331 -0.005 1.00 0.00 H new ATOM 0 HG SER A 81 -13.748 -6.702 0.594 1.00 0.00 H new ATOM 976 N ASN A 82 -15.897 -4.008 -2.935 1.00 0.00 N ATOM 977 CA ASN A 82 -16.849 -3.194 -3.677 1.00 0.00 C ATOM 978 C ASN A 82 -16.927 -3.664 -5.128 1.00 0.00 C ATOM 979 O ASN A 82 -16.087 -3.305 -5.953 1.00 0.00 O ATOM 980 CB ASN A 82 -16.427 -1.727 -3.617 1.00 0.00 C ATOM 981 CG ASN A 82 -17.541 -0.781 -4.009 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.677 -0.913 -3.555 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.215 0.181 -4.860 1.00 0.00 N ATOM 0 H ASN A 82 -14.997 -3.557 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.836 -3.299 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.094 -1.490 -2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.575 -1.571 -4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.920 0.852 -5.166 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.259 0.250 -5.209 1.00 0.00 H new ATOM 990 N ILE A 83 -17.933 -4.483 -5.428 1.00 0.00 N ATOM 991 CA ILE A 83 -18.116 -5.024 -6.774 1.00 0.00 C ATOM 992 C ILE A 83 -17.957 -3.958 -7.853 1.00 0.00 C ATOM 993 O ILE A 83 -17.518 -4.253 -8.964 1.00 0.00 O ATOM 994 CB ILE A 83 -19.496 -5.694 -6.931 1.00 0.00 C ATOM 995 CG1 ILE A 83 -19.562 -6.475 -8.246 1.00 0.00 C ATOM 996 CG2 ILE A 83 -20.605 -4.653 -6.873 1.00 0.00 C ATOM 997 CD1 ILE A 83 -18.438 -7.474 -8.416 1.00 0.00 C ATOM 0 H ILE A 83 -18.636 -4.788 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 83 -17.333 -5.771 -6.905 1.00 0.00 H new ATOM 0 HB ILE A 83 -19.637 -6.392 -6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -20.515 -7.001 -8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -19.540 -5.771 -9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -21.571 -5.144 -6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.570 -4.137 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -20.469 -3.931 -7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -18.550 -7.989 -9.370 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -17.481 -6.952 -8.396 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -18.472 -8.201 -7.605 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.314 -2.720 -7.528 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.201 -1.627 -8.486 1.00 0.00 C ATOM 1011 C LEU A 84 -16.800 -1.571 -9.086 1.00 0.00 C ATOM 1012 O LEU A 84 -16.606 -1.046 -10.182 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.543 -0.294 -7.821 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.037 -0.036 -7.626 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.262 0.963 -6.503 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.663 0.461 -8.920 1.00 0.00 C ATOM 0 H LEU A 84 -18.681 -2.450 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.912 -1.810 -9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.052 -0.253 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.125 0.513 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.518 -0.975 -7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.331 1.135 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -19.847 0.568 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.769 1.904 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.727 0.640 -8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.180 1.389 -9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.532 -0.290 -9.699 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.825 -2.129 -8.371 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.451 -2.149 -8.853 1.00 0.00 C ATOM 1030 C ILE A 85 -14.336 -3.050 -10.076 1.00 0.00 C ATOM 1031 O ILE A 85 -13.517 -2.812 -10.963 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.472 -2.631 -7.762 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.029 -2.577 -8.271 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.825 -4.039 -7.309 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.291 -1.323 -7.860 1.00 0.00 C ATOM 0 H ILE A 85 -15.962 -2.570 -7.462 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.183 -1.128 -9.123 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.560 -1.963 -6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.488 -3.446 -7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.033 -2.647 -9.359 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -13.123 -4.360 -6.540 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.837 -4.048 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.769 -4.719 -8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.276 -1.352 -8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.809 -0.450 -8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.255 -1.262 -6.772 1.00 0.00 H new ATOM 1047 N HIS A 86 -15.174 -4.081 -10.122 1.00 0.00 N ATOM 1048 CA HIS A 86 -15.179 -5.012 -11.242 1.00 0.00 C ATOM 1049 C HIS A 86 -16.122 -4.526 -12.340 1.00 0.00 C ATOM 1050 O HIS A 86 -15.984 -4.906 -13.503 1.00 0.00 O ATOM 1051 CB HIS A 86 -15.597 -6.406 -10.773 1.00 0.00 C ATOM 1052 CG HIS A 86 -14.548 -7.105 -9.965 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -13.486 -7.778 -10.531 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -14.399 -7.232 -8.625 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -12.731 -8.290 -9.575 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -13.263 -7.972 -8.410 1.00 0.00 N ATOM 0 H HIS A 86 -15.858 -4.292 -9.396 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.169 -5.064 -11.648 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.507 -6.323 -10.178 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.840 -7.016 -11.643 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.052 -6.827 -7.867 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.832 -8.870 -9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -12.890 -8.234 -7.497 1.00 0.00 H new ATOM 1065 N GLN A 87 -17.079 -3.681 -11.962 1.00 0.00 N ATOM 1066 CA GLN A 87 -18.043 -3.140 -12.911 1.00 0.00 C ATOM 1067 C GLN A 87 -17.471 -1.925 -13.634 1.00 0.00 C ATOM 1068 O GLN A 87 -17.676 -1.752 -14.836 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.337 -2.758 -12.188 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.971 -3.911 -11.426 1.00 0.00 C ATOM 1071 CD GLN A 87 -21.421 -4.136 -11.805 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.775 -4.128 -12.984 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -22.270 -4.339 -10.804 1.00 0.00 N ATOM 0 H GLN A 87 -17.206 -3.357 -11.003 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.261 -3.909 -13.652 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.129 -1.945 -11.493 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -20.053 -2.378 -12.917 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.404 -4.822 -11.617 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.906 -3.713 -10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -21.933 -4.337 -9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -23.259 -4.497 -10.998 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.749 -1.086 -12.896 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.145 0.112 -13.470 1.00 0.00 C ATOM 1084 C ASN A 88 -14.856 -0.233 -14.209 1.00 0.00 C ATOM 1085 O ASN A 88 -14.079 -1.075 -13.760 1.00 0.00 O ATOM 1086 CB ASN A 88 -15.862 1.146 -12.375 1.00 0.00 C ATOM 1087 CG ASN A 88 -16.582 2.458 -12.619 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -16.895 2.806 -13.758 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -16.849 3.195 -11.547 1.00 0.00 N ATOM 0 H ASN A 88 -16.568 -1.214 -11.900 1.00 0.00 H new ATOM 0 HA ASN A 88 -16.850 0.538 -14.184 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.167 0.742 -11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.789 1.328 -12.320 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -17.332 4.088 -11.649 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.571 2.868 -10.621 1.00 0.00 H new ATOM 1096 N GLY A 89 -14.634 0.424 -15.343 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.437 0.171 -16.122 1.00 0.00 C ATOM 1098 C GLY A 89 -12.249 0.978 -15.637 1.00 0.00 C ATOM 1099 O GLY A 89 -11.199 0.421 -15.317 1.00 0.00 O ATOM 0 H GLY A 89 -15.261 1.126 -15.736 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.195 -0.891 -16.076 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.631 0.408 -17.168 1.00 0.00 H new ATOM 1103 N LYS A 90 -12.415 2.296 -15.583 1.00 0.00 N ATOM 1104 CA LYS A 90 -11.349 3.184 -15.134 1.00 0.00 C ATOM 1105 C LYS A 90 -10.912 2.837 -13.715 1.00 0.00 C ATOM 1106 O LYS A 90 -9.746 2.523 -13.474 1.00 0.00 O ATOM 1107 CB LYS A 90 -11.811 4.641 -15.196 1.00 0.00 C ATOM 1108 CG LYS A 90 -10.714 5.641 -14.866 1.00 0.00 C ATOM 1109 CD LYS A 90 -11.171 6.649 -13.822 1.00 0.00 C ATOM 1110 CE LYS A 90 -10.702 8.055 -14.162 1.00 0.00 C ATOM 1111 NZ LYS A 90 -11.201 8.500 -15.493 1.00 0.00 N ATOM 0 H LYS A 90 -13.278 2.772 -15.845 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.496 3.052 -15.799 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.193 4.850 -16.195 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.640 4.781 -14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.835 5.110 -14.500 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.415 6.166 -15.773 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.259 6.634 -13.752 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.785 6.362 -12.844 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.047 8.748 -13.395 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.612 8.086 -14.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.338 9.531 -15.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.507 8.248 -16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.107 8.032 -15.698 1.00 0.00 H new ATOM 1125 N LEU A 91 -11.852 2.900 -12.776 1.00 0.00 N ATOM 1126 CA LEU A 91 -11.560 2.597 -11.381 1.00 0.00 C ATOM 1127 C LEU A 91 -10.919 1.223 -11.232 1.00 0.00 C ATOM 1128 O LEU A 91 -9.975 1.049 -10.460 1.00 0.00 O ATOM 1129 CB LEU A 91 -12.835 2.665 -10.548 1.00 0.00 C ATOM 1130 CG LEU A 91 -13.121 4.032 -9.936 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -14.420 3.997 -9.148 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -11.960 4.473 -9.053 1.00 0.00 C ATOM 0 H LEU A 91 -12.822 3.158 -12.957 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.852 3.343 -11.021 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.679 2.379 -11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.769 1.929 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.230 4.760 -10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.611 4.980 -8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.241 3.726 -9.812 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.341 3.260 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.180 5.451 -8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.817 3.749 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.051 4.536 -9.651 1.00 0.00 H new ATOM 1144 N SER A 92 -11.433 0.251 -11.980 1.00 0.00 N ATOM 1145 CA SER A 92 -10.905 -1.110 -11.935 1.00 0.00 C ATOM 1146 C SER A 92 -9.386 -1.087 -12.025 1.00 0.00 C ATOM 1147 O SER A 92 -8.693 -1.782 -11.283 1.00 0.00 O ATOM 1148 CB SER A 92 -11.483 -1.946 -13.079 1.00 0.00 C ATOM 1149 OG SER A 92 -10.684 -3.089 -13.333 1.00 0.00 O ATOM 0 H SER A 92 -12.214 0.380 -12.624 1.00 0.00 H new ATOM 0 HA SER A 92 -11.198 -1.563 -10.988 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.498 -2.256 -12.829 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.549 -1.337 -13.981 1.00 0.00 H new ATOM 0 HG SER A 92 -11.077 -3.606 -14.067 1.00 0.00 H new ATOM 1155 N ALA A 93 -8.881 -0.265 -12.935 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.445 -0.124 -13.126 1.00 0.00 C ATOM 1157 C ALA A 93 -6.828 0.684 -11.991 1.00 0.00 C ATOM 1158 O ALA A 93 -5.667 0.487 -11.631 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.155 0.537 -14.464 1.00 0.00 C ATOM 0 H ALA A 93 -9.447 0.316 -13.554 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.997 -1.118 -13.121 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.077 0.637 -14.595 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.563 -0.075 -15.268 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.616 1.524 -14.490 1.00 0.00 H new ATOM 1165 N ASP A 94 -7.619 1.596 -11.429 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.162 2.441 -10.331 1.00 0.00 C ATOM 1167 C ASP A 94 -6.467 1.616 -9.251 1.00 0.00 C ATOM 1168 O ASP A 94 -5.250 1.678 -9.099 1.00 0.00 O ATOM 1169 CB ASP A 94 -8.340 3.205 -9.724 1.00 0.00 C ATOM 1170 CG ASP A 94 -8.018 4.667 -9.484 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -6.980 4.950 -8.849 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -8.805 5.529 -9.929 1.00 0.00 O ATOM 0 H ASP A 94 -8.582 1.768 -11.718 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.442 3.152 -10.735 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.200 3.130 -10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.625 2.739 -8.781 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.252 0.843 -8.508 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.718 0.006 -7.441 1.00 0.00 C ATOM 1179 C PHE A 95 -5.726 -1.018 -7.994 1.00 0.00 C ATOM 1180 O PHE A 95 -4.683 -1.273 -7.393 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.868 -0.690 -6.705 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.632 -2.147 -6.413 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.944 -3.108 -7.359 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -7.098 -2.553 -5.198 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.729 -4.448 -7.103 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.882 -3.891 -4.938 1.00 0.00 C ATOM 1187 CZ PHE A 95 -7.198 -4.840 -5.890 1.00 0.00 C ATOM 0 H PHE A 95 -8.263 0.779 -8.626 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.179 0.638 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.049 -0.169 -5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.775 -0.595 -7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.361 -2.806 -8.309 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.849 -1.815 -4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.976 -5.188 -7.850 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.466 -4.196 -3.989 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.030 -5.887 -5.686 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.061 -1.606 -9.141 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.201 -2.604 -9.771 1.00 0.00 C ATOM 1199 C LYS A 96 -3.772 -2.091 -9.899 1.00 0.00 C ATOM 1200 O LYS A 96 -2.813 -2.831 -9.679 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.744 -2.981 -11.149 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.938 -3.919 -11.096 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.647 -3.992 -12.438 1.00 0.00 C ATOM 1204 CE LYS A 96 -7.233 -5.228 -13.220 1.00 0.00 C ATOM 1205 NZ LYS A 96 -7.541 -5.096 -14.671 1.00 0.00 N ATOM 0 H LYS A 96 -6.921 -1.408 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.194 -3.490 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.030 -2.072 -11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.949 -3.451 -11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.607 -4.915 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.637 -3.578 -10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.726 -4.004 -12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.420 -3.099 -13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.164 -5.399 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.747 -6.101 -12.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.244 -5.959 -15.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.564 -4.958 -14.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.031 -4.278 -15.061 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.638 -0.819 -10.253 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.325 -0.203 -10.407 1.00 0.00 C ATOM 1221 C ASN A 97 -1.676 0.019 -9.046 1.00 0.00 C ATOM 1222 O ASN A 97 -0.462 -0.120 -8.895 1.00 0.00 O ATOM 1223 CB ASN A 97 -2.448 1.129 -11.152 1.00 0.00 C ATOM 1224 CG ASN A 97 -1.536 1.201 -12.361 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -0.314 1.113 -12.237 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -2.127 1.363 -13.539 1.00 0.00 N ATOM 0 H ASN A 97 -4.422 -0.193 -10.439 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.695 -0.876 -10.988 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.481 1.270 -11.470 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.210 1.946 -10.471 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.565 1.419 -14.388 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.143 1.431 -13.595 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.494 0.362 -8.056 1.00 0.00 N ATOM 1234 CA LEU A 98 -1.999 0.599 -6.707 1.00 0.00 C ATOM 1235 C LEU A 98 -1.553 -0.706 -6.064 1.00 0.00 C ATOM 1236 O LEU A 98 -0.401 -0.846 -5.659 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.078 1.263 -5.852 1.00 0.00 C ATOM 1238 CG LEU A 98 -3.780 2.452 -6.508 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.105 2.744 -5.819 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -2.884 3.678 -6.484 1.00 0.00 C ATOM 0 H LEU A 98 -3.501 0.482 -8.164 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.140 1.267 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.827 0.515 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.626 1.597 -4.918 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.987 2.196 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.587 3.594 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.753 1.870 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.926 2.977 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.400 4.515 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.645 3.934 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.963 3.467 -7.028 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.469 -1.665 -5.980 1.00 0.00 N ATOM 1253 CA LYS A 99 -2.150 -2.962 -5.394 1.00 0.00 C ATOM 1254 C LYS A 99 -0.983 -3.597 -6.135 1.00 0.00 C ATOM 1255 O LYS A 99 -0.158 -4.289 -5.542 1.00 0.00 O ATOM 1256 CB LYS A 99 -3.365 -3.895 -5.431 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.947 -4.088 -6.823 1.00 0.00 C ATOM 1258 CD LYS A 99 -4.013 -5.560 -7.205 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.531 -5.792 -8.628 1.00 0.00 C ATOM 1260 NZ LYS A 99 -2.671 -7.004 -8.733 1.00 0.00 N ATOM 0 H LYS A 99 -3.430 -1.570 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.871 -2.806 -4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.078 -4.867 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.139 -3.495 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.947 -3.656 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.339 -3.550 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.404 -6.143 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.038 -5.917 -7.105 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.391 -5.899 -9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.973 -4.920 -8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.363 -7.127 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.837 -6.892 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.211 -7.840 -8.432 1.00 0.00 H new ATOM 1274 N THR A 100 -0.917 -3.338 -7.435 1.00 0.00 N ATOM 1275 CA THR A 100 0.153 -3.865 -8.266 1.00 0.00 C ATOM 1276 C THR A 100 1.471 -3.189 -7.910 1.00 0.00 C ATOM 1277 O THR A 100 2.454 -3.854 -7.580 1.00 0.00 O ATOM 1278 CB THR A 100 -0.181 -3.648 -9.746 1.00 0.00 C ATOM 1279 OG1 THR A 100 -1.129 -4.601 -10.190 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.019 -3.738 -10.664 1.00 0.00 C ATOM 0 H THR A 100 -1.595 -2.764 -7.936 1.00 0.00 H new ATOM 0 HA THR A 100 0.253 -4.935 -8.085 1.00 0.00 H new ATOM 0 HB THR A 100 -0.577 -2.634 -9.799 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.951 -4.142 -10.462 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.702 -3.574 -11.694 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.749 -2.979 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.471 -4.726 -10.577 1.00 0.00 H new ATOM 1288 N LYS A 101 1.482 -1.862 -7.971 1.00 0.00 N ATOM 1289 CA LYS A 101 2.677 -1.101 -7.646 1.00 0.00 C ATOM 1290 C LYS A 101 3.065 -1.332 -6.191 1.00 0.00 C ATOM 1291 O LYS A 101 4.245 -1.363 -5.849 1.00 0.00 O ATOM 1292 CB LYS A 101 2.451 0.394 -7.913 1.00 0.00 C ATOM 1293 CG LYS A 101 1.742 1.132 -6.785 1.00 0.00 C ATOM 1294 CD LYS A 101 1.669 2.626 -7.056 1.00 0.00 C ATOM 1295 CE LYS A 101 2.821 3.371 -6.398 1.00 0.00 C ATOM 1296 NZ LYS A 101 3.727 3.993 -7.403 1.00 0.00 N ATOM 0 H LYS A 101 0.679 -1.295 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 101 3.493 -1.442 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.416 0.869 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.867 0.504 -8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.735 0.733 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.268 0.957 -5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.688 2.803 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.722 3.018 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.424 4.144 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.390 2.682 -5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.498 4.491 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.126 3.253 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.190 4.670 -7.982 1.00 0.00 H new ATOM 1310 N TYR A 102 2.054 -1.498 -5.342 1.00 0.00 N ATOM 1311 CA TYR A 102 2.270 -1.729 -3.919 1.00 0.00 C ATOM 1312 C TYR A 102 2.985 -3.058 -3.686 1.00 0.00 C ATOM 1313 O TYR A 102 3.844 -3.164 -2.811 1.00 0.00 O ATOM 1314 CB TYR A 102 0.926 -1.683 -3.180 1.00 0.00 C ATOM 1315 CG TYR A 102 0.866 -2.504 -1.909 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.703 -2.231 -0.830 1.00 0.00 C ATOM 1317 CD2 TYR A 102 -0.040 -3.548 -1.788 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.635 -2.982 0.331 1.00 0.00 C ATOM 1319 CE2 TYR A 102 -0.114 -4.298 -0.633 1.00 0.00 C ATOM 1320 CZ TYR A 102 0.724 -4.011 0.420 1.00 0.00 C ATOM 1321 OH TYR A 102 0.648 -4.756 1.568 1.00 0.00 O ATOM 0 H TYR A 102 1.072 -1.476 -5.618 1.00 0.00 H new ATOM 0 HA TYR A 102 2.912 -0.942 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.698 -0.645 -2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.145 -2.030 -3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.415 -1.422 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.699 -3.777 -2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.291 -2.763 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.826 -5.106 -0.555 1.00 0.00 H new ATOM 0 HH TYR A 102 0.140 -5.576 1.393 1.00 0.00 H new ATOM 1331 N GLN A 103 2.633 -4.068 -4.478 1.00 0.00 N ATOM 1332 CA GLN A 103 3.256 -5.382 -4.355 1.00 0.00 C ATOM 1333 C GLN A 103 4.766 -5.277 -4.530 1.00 0.00 C ATOM 1334 O GLN A 103 5.534 -5.787 -3.715 1.00 0.00 O ATOM 1335 CB GLN A 103 2.681 -6.348 -5.394 1.00 0.00 C ATOM 1336 CG GLN A 103 1.236 -6.742 -5.135 1.00 0.00 C ATOM 1337 CD GLN A 103 1.021 -8.242 -5.197 1.00 0.00 C ATOM 1338 OE1 GLN A 103 0.967 -8.917 -4.169 1.00 0.00 O ATOM 1339 NE2 GLN A 103 0.896 -8.770 -6.409 1.00 0.00 N ATOM 0 H GLN A 103 1.923 -4.002 -5.208 1.00 0.00 H new ATOM 0 HA GLN A 103 3.042 -5.766 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.751 -5.889 -6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.294 -7.249 -5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.933 -6.375 -4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.593 -6.256 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.947 -8.172 -7.234 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.749 -9.774 -6.515 1.00 0.00 H new ATOM 1348 N SER A 104 5.183 -4.607 -5.599 1.00 0.00 N ATOM 1349 CA SER A 104 6.602 -4.426 -5.885 1.00 0.00 C ATOM 1350 C SER A 104 7.315 -3.777 -4.706 1.00 0.00 C ATOM 1351 O SER A 104 8.471 -4.084 -4.418 1.00 0.00 O ATOM 1352 CB SER A 104 6.781 -3.559 -7.131 1.00 0.00 C ATOM 1353 OG SER A 104 7.856 -4.026 -7.929 1.00 0.00 O ATOM 0 H SER A 104 4.558 -4.180 -6.282 1.00 0.00 H new ATOM 0 HA SER A 104 7.040 -5.409 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.861 -3.564 -7.716 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.966 -2.526 -6.835 1.00 0.00 H new ATOM 0 HG SER A 104 7.948 -3.455 -8.720 1.00 0.00 H new ATOM 1359 N LEU A 105 6.615 -2.873 -4.030 1.00 0.00 N ATOM 1360 CA LEU A 105 7.175 -2.172 -2.886 1.00 0.00 C ATOM 1361 C LEU A 105 7.539 -3.142 -1.774 1.00 0.00 C ATOM 1362 O LEU A 105 8.647 -3.100 -1.243 1.00 0.00 O ATOM 1363 CB LEU A 105 6.180 -1.137 -2.365 1.00 0.00 C ATOM 1364 CG LEU A 105 5.687 -0.136 -3.408 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.557 0.715 -2.847 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.836 0.735 -3.882 1.00 0.00 C ATOM 0 H LEU A 105 5.656 -2.609 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 105 8.084 -1.667 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.319 -1.660 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.645 -0.587 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 105 5.297 -0.688 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.221 1.421 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.726 0.072 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.913 1.263 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.472 1.444 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.254 1.279 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.609 0.108 -4.327 1.00 0.00 H new ATOM 1378 N GLN A 106 6.605 -4.017 -1.425 1.00 0.00 N ATOM 1379 CA GLN A 106 6.853 -4.994 -0.365 1.00 0.00 C ATOM 1380 C GLN A 106 8.032 -5.883 -0.736 1.00 0.00 C ATOM 1381 O GLN A 106 8.881 -6.192 0.097 1.00 0.00 O ATOM 1382 CB GLN A 106 5.628 -5.879 -0.096 1.00 0.00 C ATOM 1383 CG GLN A 106 4.314 -5.327 -0.616 1.00 0.00 C ATOM 1384 CD GLN A 106 3.123 -5.887 0.138 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.157 -6.017 1.361 1.00 0.00 O ATOM 1386 NE2 GLN A 106 2.065 -6.229 -0.586 1.00 0.00 N ATOM 0 H GLN A 106 5.680 -4.073 -1.851 1.00 0.00 H new ATOM 0 HA GLN A 106 7.074 -4.431 0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.798 -6.857 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.540 -6.035 0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.318 -4.240 -0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.216 -5.563 -1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.078 -6.105 -1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.239 -6.616 -0.130 1.00 0.00 H new ATOM 1395 N GLN A 107 8.061 -6.302 -1.996 1.00 0.00 N ATOM 1396 CA GLN A 107 9.120 -7.173 -2.494 1.00 0.00 C ATOM 1397 C GLN A 107 10.473 -6.463 -2.525 1.00 0.00 C ATOM 1398 O GLN A 107 11.481 -7.022 -2.092 1.00 0.00 O ATOM 1399 CB GLN A 107 8.770 -7.683 -3.894 1.00 0.00 C ATOM 1400 CG GLN A 107 7.332 -8.160 -4.025 1.00 0.00 C ATOM 1401 CD GLN A 107 7.233 -9.585 -4.536 1.00 0.00 C ATOM 1402 OE1 GLN A 107 6.521 -9.862 -5.501 1.00 0.00 O ATOM 1403 NE2 GLN A 107 7.949 -10.497 -3.888 1.00 0.00 N ATOM 0 H GLN A 107 7.361 -6.052 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 107 9.200 -8.016 -1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.947 -6.887 -4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.441 -8.502 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.841 -8.091 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.794 -7.497 -4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.526 -10.222 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.922 -11.472 -4.186 1.00 0.00 H new ATOM 1412 N SER A 108 10.496 -5.238 -3.041 1.00 0.00 N ATOM 1413 CA SER A 108 11.739 -4.476 -3.124 1.00 0.00 C ATOM 1414 C SER A 108 12.287 -4.172 -1.734 1.00 0.00 C ATOM 1415 O SER A 108 13.501 -4.150 -1.518 1.00 0.00 O ATOM 1416 CB SER A 108 11.510 -3.171 -3.890 1.00 0.00 C ATOM 1417 OG SER A 108 12.704 -2.411 -3.971 1.00 0.00 O ATOM 0 H SER A 108 9.675 -4.754 -3.406 1.00 0.00 H new ATOM 0 HA SER A 108 12.471 -5.081 -3.658 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.148 -3.394 -4.894 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.736 -2.586 -3.394 1.00 0.00 H new ATOM 0 HG SER A 108 12.532 -1.583 -4.466 1.00 0.00 H new ATOM 1423 N TYR A 109 11.380 -3.933 -0.799 1.00 0.00 N ATOM 1424 CA TYR A 109 11.751 -3.618 0.574 1.00 0.00 C ATOM 1425 C TYR A 109 12.013 -4.887 1.376 1.00 0.00 C ATOM 1426 O TYR A 109 12.976 -4.961 2.139 1.00 0.00 O ATOM 1427 CB TYR A 109 10.641 -2.770 1.204 1.00 0.00 C ATOM 1428 CG TYR A 109 10.156 -3.211 2.571 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.037 -3.405 3.624 1.00 0.00 C ATOM 1430 CD2 TYR A 109 8.803 -3.410 2.805 1.00 0.00 C ATOM 1431 CE1 TYR A 109 10.588 -3.789 4.869 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.344 -3.790 4.047 1.00 0.00 C ATOM 1433 CZ TYR A 109 9.241 -3.980 5.078 1.00 0.00 C ATOM 1434 OH TYR A 109 8.787 -4.362 6.320 1.00 0.00 O ATOM 0 H TYR A 109 10.374 -3.951 -0.967 1.00 0.00 H new ATOM 0 HA TYR A 109 12.680 -3.048 0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.997 -1.743 1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.789 -2.761 0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.094 -3.252 3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.098 -3.265 2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.289 -3.939 5.676 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.287 -3.938 4.213 1.00 0.00 H new ATOM 0 HH TYR A 109 9.092 -3.717 6.992 1.00 0.00 H new ATOM 1444 N ASN A 110 11.152 -5.882 1.205 1.00 0.00 N ATOM 1445 CA ASN A 110 11.303 -7.141 1.924 1.00 0.00 C ATOM 1446 C ASN A 110 12.712 -7.694 1.741 1.00 0.00 C ATOM 1447 O ASN A 110 13.331 -8.182 2.687 1.00 0.00 O ATOM 1448 CB ASN A 110 10.269 -8.162 1.447 1.00 0.00 C ATOM 1449 CG ASN A 110 8.938 -8.011 2.157 1.00 0.00 C ATOM 1450 OD1 ASN A 110 8.886 -7.651 3.333 1.00 0.00 O ATOM 1451 ND2 ASN A 110 7.852 -8.288 1.445 1.00 0.00 N ATOM 0 H ASN A 110 10.347 -5.843 0.579 1.00 0.00 H new ATOM 0 HA ASN A 110 11.137 -6.950 2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.120 -8.049 0.373 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.653 -9.169 1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.929 -8.206 1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.941 -8.583 0.473 1.00 0.00 H new ATOM 1458 N GLN A 111 13.228 -7.597 0.523 1.00 0.00 N ATOM 1459 CA GLN A 111 14.574 -8.071 0.246 1.00 0.00 C ATOM 1460 C GLN A 111 15.582 -7.204 0.982 1.00 0.00 C ATOM 1461 O GLN A 111 16.372 -7.695 1.786 1.00 0.00 O ATOM 1462 CB GLN A 111 14.876 -8.056 -1.254 1.00 0.00 C ATOM 1463 CG GLN A 111 14.553 -6.747 -1.953 1.00 0.00 C ATOM 1464 CD GLN A 111 14.416 -6.911 -3.454 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.315 -7.092 -3.973 1.00 0.00 O ATOM 1466 NE2 GLN A 111 15.541 -6.853 -4.158 1.00 0.00 N ATOM 0 H GLN A 111 12.740 -7.199 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 111 14.648 -9.102 0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.933 -8.279 -1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.312 -8.857 -1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 111 13.626 -6.342 -1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.338 -6.021 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.432 -6.701 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.514 -6.960 -5.172 1.00 0.00 H new ATOM 1475 N ARG A 112 15.530 -5.906 0.705 1.00 0.00 N ATOM 1476 CA ARG A 112 16.423 -4.941 1.336 1.00 0.00 C ATOM 1477 C ARG A 112 16.440 -5.121 2.850 1.00 0.00 C ATOM 1478 O ARG A 112 17.490 -5.026 3.485 1.00 0.00 O ATOM 1479 CB ARG A 112 15.988 -3.516 0.987 1.00 0.00 C ATOM 1480 CG ARG A 112 16.786 -2.897 -0.148 1.00 0.00 C ATOM 1481 CD ARG A 112 17.011 -1.409 0.075 1.00 0.00 C ATOM 1482 NE ARG A 112 16.346 -0.596 -0.940 1.00 0.00 N ATOM 1483 CZ ARG A 112 16.201 0.724 -0.855 1.00 0.00 C ATOM 1484 NH1 ARG A 112 16.671 1.384 0.196 1.00 0.00 N ATOM 1485 NH2 ARG A 112 15.584 1.387 -1.824 1.00 0.00 N ATOM 0 H ARG A 112 14.873 -5.495 0.042 1.00 0.00 H new ATOM 0 HA ARG A 112 17.431 -5.113 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.932 -3.524 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.085 -2.888 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.748 -3.402 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.259 -3.049 -1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 112 16.641 -1.130 1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 112 18.080 -1.199 0.064 1.00 0.00 H new ATOM 0 HE ARG A 112 15.971 -1.068 -1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 112 17.146 0.879 0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 112 16.557 2.396 0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 112 15.221 0.885 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 112 15.473 2.399 -1.759 1.00 0.00 H new ATOM 1499 N LYS A 113 15.269 -5.382 3.421 1.00 0.00 N ATOM 1500 CA LYS A 113 15.156 -5.575 4.862 1.00 0.00 C ATOM 1501 C LYS A 113 15.956 -6.800 5.301 1.00 0.00 C ATOM 1502 O LYS A 113 16.457 -6.858 6.424 1.00 0.00 O ATOM 1503 CB LYS A 113 13.679 -5.694 5.278 1.00 0.00 C ATOM 1504 CG LYS A 113 13.084 -7.093 5.162 1.00 0.00 C ATOM 1505 CD LYS A 113 12.212 -7.427 6.360 1.00 0.00 C ATOM 1506 CE LYS A 113 10.778 -6.974 6.142 1.00 0.00 C ATOM 1507 NZ LYS A 113 10.135 -6.533 7.410 1.00 0.00 N ATOM 0 H LYS A 113 14.389 -5.464 2.911 1.00 0.00 H new ATOM 0 HA LYS A 113 15.574 -4.703 5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.581 -5.359 6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.089 -5.013 4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.493 -7.164 4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 113 13.887 -7.826 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.233 -8.502 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.616 -6.947 7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.762 -6.155 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.202 -7.791 5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.540 -5.700 7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.546 -7.303 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.869 -6.287 8.104 1.00 0.00 H new ATOM 1521 N SER A 114 16.078 -7.772 4.401 1.00 0.00 N ATOM 1522 CA SER A 114 16.823 -8.992 4.687 1.00 0.00 C ATOM 1523 C SER A 114 18.321 -8.773 4.487 1.00 0.00 C ATOM 1524 O SER A 114 19.145 -9.464 5.087 1.00 0.00 O ATOM 1525 CB SER A 114 16.339 -10.131 3.788 1.00 0.00 C ATOM 1526 OG SER A 114 16.394 -11.374 4.466 1.00 0.00 O ATOM 0 H SER A 114 15.670 -7.737 3.467 1.00 0.00 H new ATOM 0 HA SER A 114 16.648 -9.260 5.729 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.317 -9.934 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 114 16.954 -10.176 2.889 1.00 0.00 H new ATOM 0 HG SER A 114 16.078 -12.086 3.871 1.00 0.00 H new