USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 499 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 52 SER OG : rot 80:sc= 1.15 USER MOD Set 1.2: A 67 CYS SG : rot -75:sc= 0.503 USER MOD Set 1.3: A 70 THR OG1 : rot -111:sc= -5.45! USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 35 THR OG1 : rot 66:sc= -3.41! USER MOD Set 3.2: A 50 SER OG : rot 150:sc= 0 USER MOD Set 4.1: A 12 SER OG : rot -115:sc= -2.24! USER MOD Set 4.2: A 14 ASN : amide:sc= -5.71! C(o=-11!,f=-17!) USER MOD Set 4.3: A 15 SER OG : rot 85:sc= -2.89! USER MOD Set 5.1: A 6 ASN : amide:sc= -4.98! C(o=-5.1!,f=-6.6!) USER MOD Set 5.2: A 9 SER OG : rot 180:sc= -0.161 USER MOD Single : A 5 THR OG1 : rot -62:sc= 0.0225 USER MOD Single : A 7 THR OG1 : rot 45:sc= 0.298 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -128:sc= -4.5! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 109:sc= 0.338 USER MOD Single : A 46 THR OG1 : rot -170:sc= -0.258 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 49 THR OG1 : rot -22:sc= 0.564 USER MOD Single : A 51 THR OG1 : rot -63:sc= -0.632 USER MOD Single : A 55 SER OG : rot 180:sc= 0.783 USER MOD Single : A 58 SER OG : rot 69:sc= 0.0949 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.39! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -114:sc= -1.57 USER MOD Single : A 88 SER OG : rot 180:sc= -1.06! USER MOD Single : A 90 ASN : amide:sc= -3.15 X(o=-3.2,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 4 48.864 8.080 7.550 1.00 0.00 N ATOM 34 CA CYS A 4 50.266 8.306 7.090 1.00 0.00 C ATOM 35 C CYS A 4 50.300 8.602 5.588 1.00 0.00 C ATOM 36 O CYS A 4 49.318 9.015 5.002 1.00 0.00 O ATOM 37 CB CYS A 4 50.998 6.998 7.395 1.00 0.00 C ATOM 38 SG CYS A 4 52.144 7.254 8.772 1.00 0.00 S ATOM 0 HA CYS A 4 50.726 9.160 7.587 1.00 0.00 H new ATOM 0 HB2 CYS A 4 50.280 6.217 7.646 1.00 0.00 H new ATOM 0 HB3 CYS A 4 51.542 6.659 6.513 1.00 0.00 H new ATOM 43 N THR A 5 51.429 8.396 4.962 1.00 0.00 N ATOM 44 CA THR A 5 51.537 8.667 3.499 1.00 0.00 C ATOM 45 C THR A 5 51.332 7.378 2.699 1.00 0.00 C ATOM 46 O THR A 5 52.183 6.971 1.933 1.00 0.00 O ATOM 47 CB THR A 5 52.961 9.196 3.302 1.00 0.00 C ATOM 48 OG1 THR A 5 53.075 9.773 2.010 1.00 0.00 O ATOM 49 CG2 THR A 5 53.961 8.045 3.441 1.00 0.00 C ATOM 0 H THR A 5 52.282 8.051 5.402 1.00 0.00 H new ATOM 0 HA THR A 5 50.782 9.375 3.155 1.00 0.00 H new ATOM 0 HB THR A 5 53.176 9.952 4.058 1.00 0.00 H new ATOM 0 HG1 THR A 5 52.908 9.088 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 5 54.973 8.424 3.300 1.00 0.00 H new ATOM 0 HG22 THR A 5 53.873 7.604 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 5 53.750 7.286 2.687 1.00 0.00 H new ATOM 57 N ASN A 6 50.212 6.728 2.869 1.00 0.00 N ATOM 58 CA ASN A 6 49.970 5.466 2.113 1.00 0.00 C ATOM 59 C ASN A 6 48.476 5.281 1.828 1.00 0.00 C ATOM 60 O ASN A 6 47.688 5.039 2.720 1.00 0.00 O ATOM 61 CB ASN A 6 50.480 4.353 3.030 1.00 0.00 C ATOM 62 CG ASN A 6 52.005 4.262 2.933 1.00 0.00 C ATOM 63 OD1 ASN A 6 52.711 5.021 3.568 1.00 0.00 O ATOM 64 ND2 ASN A 6 52.545 3.360 2.162 1.00 0.00 N ATOM 0 H ASN A 6 49.459 7.014 3.495 1.00 0.00 H new ATOM 0 HA ASN A 6 50.473 5.468 1.146 1.00 0.00 H new ATOM 0 HB2 ASN A 6 50.183 4.552 4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 6 50.031 3.401 2.747 1.00 0.00 H new ATOM 0 HD21 ASN A 6 53.560 3.291 2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 6 51.952 2.723 1.629 1.00 0.00 H new ATOM 71 N THR A 7 48.085 5.374 0.585 1.00 0.00 N ATOM 72 CA THR A 7 46.648 5.185 0.236 1.00 0.00 C ATOM 73 C THR A 7 46.434 3.753 -0.262 1.00 0.00 C ATOM 74 O THR A 7 46.910 3.375 -1.313 1.00 0.00 O ATOM 75 CB THR A 7 46.363 6.195 -0.879 1.00 0.00 C ATOM 76 OG1 THR A 7 47.425 6.175 -1.821 1.00 0.00 O ATOM 77 CG2 THR A 7 46.234 7.598 -0.282 1.00 0.00 C ATOM 0 H THR A 7 48.700 5.573 -0.204 1.00 0.00 H new ATOM 0 HA THR A 7 45.985 5.340 1.087 1.00 0.00 H new ATOM 0 HB THR A 7 45.431 5.928 -1.378 1.00 0.00 H new ATOM 0 HG1 THR A 7 47.659 5.247 -2.031 1.00 0.00 H new ATOM 0 HG21 THR A 7 46.031 8.315 -1.078 1.00 0.00 H new ATOM 0 HG22 THR A 7 45.415 7.613 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 7 47.163 7.867 0.220 1.00 0.00 H new ATOM 85 N ASN A 8 45.740 2.949 0.502 1.00 0.00 N ATOM 86 CA ASN A 8 45.509 1.528 0.101 1.00 0.00 C ATOM 87 C ASN A 8 46.797 0.718 0.285 1.00 0.00 C ATOM 88 O ASN A 8 46.836 -0.471 0.038 1.00 0.00 O ATOM 89 CB ASN A 8 45.100 1.569 -1.375 1.00 0.00 C ATOM 90 CG ASN A 8 43.908 0.636 -1.599 1.00 0.00 C ATOM 91 OD1 ASN A 8 42.779 1.081 -1.675 1.00 0.00 O ATOM 92 ND2 ASN A 8 44.111 -0.648 -1.711 1.00 0.00 N ATOM 0 H ASN A 8 45.321 3.217 1.392 1.00 0.00 H new ATOM 0 HA ASN A 8 44.739 1.053 0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 8 44.838 2.587 -1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 8 45.937 1.265 -2.004 1.00 0.00 H new ATOM 0 HD21 ASN A 8 43.323 -1.278 -1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 8 45.058 -1.022 -1.647 1.00 0.00 H new ATOM 99 N SER A 9 47.852 1.355 0.726 1.00 0.00 N ATOM 100 CA SER A 9 49.137 0.628 0.941 1.00 0.00 C ATOM 101 C SER A 9 49.435 0.544 2.441 1.00 0.00 C ATOM 102 O SER A 9 48.651 0.981 3.259 1.00 0.00 O ATOM 103 CB SER A 9 50.197 1.471 0.231 1.00 0.00 C ATOM 104 OG SER A 9 49.890 2.850 0.397 1.00 0.00 O ATOM 0 H SER A 9 47.877 2.351 0.947 1.00 0.00 H new ATOM 0 HA SER A 9 49.110 -0.392 0.557 1.00 0.00 H new ATOM 0 HB2 SER A 9 51.184 1.255 0.640 1.00 0.00 H new ATOM 0 HB3 SER A 9 50.229 1.219 -0.829 1.00 0.00 H new ATOM 0 HG SER A 9 50.569 3.393 -0.056 1.00 0.00 H new ATOM 110 N GLN A 10 50.556 -0.014 2.812 1.00 0.00 N ATOM 111 CA GLN A 10 50.881 -0.114 4.265 1.00 0.00 C ATOM 112 C GLN A 10 52.382 0.086 4.506 1.00 0.00 C ATOM 113 O GLN A 10 53.172 -0.824 4.345 1.00 0.00 O ATOM 114 CB GLN A 10 50.452 -1.528 4.666 1.00 0.00 C ATOM 115 CG GLN A 10 50.228 -1.582 6.179 1.00 0.00 C ATOM 116 CD GLN A 10 50.140 -3.040 6.634 1.00 0.00 C ATOM 117 OE1 GLN A 10 49.521 -3.857 5.982 1.00 0.00 O ATOM 118 NE2 GLN A 10 50.738 -3.405 7.736 1.00 0.00 N ATOM 0 H GLN A 10 51.255 -0.402 2.179 1.00 0.00 H new ATOM 0 HA GLN A 10 50.373 0.653 4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 10 49.537 -1.805 4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.217 -2.248 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 10 51.045 -1.078 6.696 1.00 0.00 H new ATOM 0 HG3 GLN A 10 49.311 -1.053 6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 10 51.258 -2.720 8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 10 50.685 -4.375 8.048 1.00 0.00 H new ATOM 127 N LEU A 11 52.779 1.266 4.908 1.00 0.00 N ATOM 128 CA LEU A 11 54.226 1.515 5.178 1.00 0.00 C ATOM 129 C LEU A 11 54.531 1.205 6.639 1.00 0.00 C ATOM 130 O LEU A 11 55.445 1.752 7.219 1.00 0.00 O ATOM 131 CB LEU A 11 54.446 3.006 4.913 1.00 0.00 C ATOM 132 CG LEU A 11 55.949 3.303 4.888 1.00 0.00 C ATOM 133 CD1 LEU A 11 56.463 3.215 3.450 1.00 0.00 C ATOM 134 CD2 LEU A 11 56.203 4.710 5.434 1.00 0.00 C ATOM 0 H LEU A 11 52.165 2.066 5.061 1.00 0.00 H new ATOM 0 HA LEU A 11 54.870 0.893 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 11 53.993 3.288 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 11 53.960 3.600 5.687 1.00 0.00 H new ATOM 0 HG LEU A 11 56.472 2.574 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 11 57.532 3.426 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 11 56.285 2.213 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 11 55.939 3.943 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 11 57.272 4.920 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 11 55.679 5.440 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 11 55.838 4.774 6.459 1.00 0.00 H new ATOM 146 N SER A 12 53.761 0.348 7.245 1.00 0.00 N ATOM 147 CA SER A 12 54.006 0.031 8.674 1.00 0.00 C ATOM 148 C SER A 12 54.011 1.332 9.483 1.00 0.00 C ATOM 149 O SER A 12 55.015 2.005 9.585 1.00 0.00 O ATOM 150 CB SER A 12 55.377 -0.646 8.695 1.00 0.00 C ATOM 151 OG SER A 12 56.031 -0.341 9.918 1.00 0.00 O ATOM 0 H SER A 12 52.978 -0.143 6.815 1.00 0.00 H new ATOM 0 HA SER A 12 53.243 -0.613 9.111 1.00 0.00 H new ATOM 0 HB2 SER A 12 55.264 -1.725 8.588 1.00 0.00 H new ATOM 0 HB3 SER A 12 55.978 -0.303 7.852 1.00 0.00 H new ATOM 0 HG SER A 12 56.832 0.193 9.736 1.00 0.00 H new ATOM 157 N ALA A 13 52.885 1.698 10.036 1.00 0.00 N ATOM 158 CA ALA A 13 52.799 2.969 10.821 1.00 0.00 C ATOM 159 C ALA A 13 54.072 3.205 11.640 1.00 0.00 C ATOM 160 O ALA A 13 54.433 4.330 11.923 1.00 0.00 O ATOM 161 CB ALA A 13 51.599 2.779 11.750 1.00 0.00 C ATOM 0 H ALA A 13 52.015 1.169 9.978 1.00 0.00 H new ATOM 0 HA ALA A 13 52.689 3.835 10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 13 51.468 3.671 12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 13 50.701 2.612 11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 13 51.772 1.918 12.396 1.00 0.00 H new ATOM 167 N ASN A 14 54.751 2.164 12.031 1.00 0.00 N ATOM 168 CA ASN A 14 55.989 2.357 12.839 1.00 0.00 C ATOM 169 C ASN A 14 57.191 2.643 11.932 1.00 0.00 C ATOM 170 O ASN A 14 58.322 2.638 12.375 1.00 0.00 O ATOM 171 CB ASN A 14 56.185 1.043 13.596 1.00 0.00 C ATOM 172 CG ASN A 14 56.179 -0.123 12.609 1.00 0.00 C ATOM 173 OD1 ASN A 14 57.160 -0.370 11.939 1.00 0.00 O ATOM 174 ND2 ASN A 14 55.107 -0.858 12.493 1.00 0.00 N ATOM 0 H ASN A 14 54.506 1.195 11.829 1.00 0.00 H new ATOM 0 HA ASN A 14 55.902 3.207 13.516 1.00 0.00 H new ATOM 0 HB2 ASN A 14 57.127 1.064 14.144 1.00 0.00 H new ATOM 0 HB3 ASN A 14 55.391 0.914 14.332 1.00 0.00 H new ATOM 0 HD21 ASN A 14 55.094 -1.641 11.839 1.00 0.00 H new ATOM 0 HD22 ASN A 14 54.283 -0.650 13.056 1.00 0.00 H new ATOM 181 N SER A 15 56.965 2.905 10.672 1.00 0.00 N ATOM 182 CA SER A 15 58.116 3.202 9.773 1.00 0.00 C ATOM 183 C SER A 15 58.242 4.714 9.587 1.00 0.00 C ATOM 184 O SER A 15 57.903 5.482 10.465 1.00 0.00 O ATOM 185 CB SER A 15 57.800 2.517 8.441 1.00 0.00 C ATOM 186 OG SER A 15 57.166 1.272 8.692 1.00 0.00 O ATOM 0 H SER A 15 56.045 2.926 10.231 1.00 0.00 H new ATOM 0 HA SER A 15 59.060 2.841 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 15 57.153 3.152 7.837 1.00 0.00 H new ATOM 0 HB3 SER A 15 58.717 2.363 7.872 1.00 0.00 H new ATOM 0 HG SER A 15 56.204 1.414 8.816 1.00 0.00 H new ATOM 192 N LYS A 16 58.721 5.154 8.458 1.00 0.00 N ATOM 193 CA LYS A 16 58.854 6.620 8.244 1.00 0.00 C ATOM 194 C LYS A 16 57.902 7.069 7.140 1.00 0.00 C ATOM 195 O LYS A 16 58.181 6.920 5.969 1.00 0.00 O ATOM 196 CB LYS A 16 60.305 6.828 7.822 1.00 0.00 C ATOM 197 CG LYS A 16 60.779 8.199 8.300 1.00 0.00 C ATOM 198 CD LYS A 16 60.893 8.194 9.825 1.00 0.00 C ATOM 199 CE LYS A 16 60.437 9.549 10.372 1.00 0.00 C ATOM 200 NZ LYS A 16 61.631 10.435 10.256 1.00 0.00 N ATOM 0 H LYS A 16 59.024 4.567 7.680 1.00 0.00 H new ATOM 0 HA LYS A 16 58.607 7.197 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 16 60.934 6.045 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 16 60.394 6.757 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 16 61.744 8.439 7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.079 8.970 7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 16 60.281 7.395 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 16 61.923 7.997 10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 16 59.597 9.943 9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 16 60.107 9.466 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 61.396 11.383 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 62.413 10.039 10.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 61.918 10.501 9.259 1.00 0.00 H new ATOM 214 N CYS A 17 56.776 7.615 7.499 1.00 0.00 N ATOM 215 CA CYS A 17 55.813 8.063 6.459 1.00 0.00 C ATOM 216 C CYS A 17 56.319 9.343 5.790 1.00 0.00 C ATOM 217 O CYS A 17 55.642 10.350 5.752 1.00 0.00 O ATOM 218 CB CYS A 17 54.505 8.322 7.209 1.00 0.00 C ATOM 219 SG CYS A 17 53.956 6.793 8.007 1.00 0.00 S ATOM 0 H CYS A 17 56.482 7.770 8.463 1.00 0.00 H new ATOM 0 HA CYS A 17 55.683 7.324 5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.650 9.103 7.955 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.741 8.679 6.518 1.00 0.00 H new ATOM 224 N GLU A 18 57.506 9.301 5.255 1.00 0.00 N ATOM 225 CA GLU A 18 58.068 10.501 4.578 1.00 0.00 C ATOM 226 C GLU A 18 58.434 10.141 3.138 1.00 0.00 C ATOM 227 O GLU A 18 59.577 9.877 2.834 1.00 0.00 O ATOM 228 CB GLU A 18 59.323 10.850 5.379 1.00 0.00 C ATOM 229 CG GLU A 18 59.085 12.133 6.176 1.00 0.00 C ATOM 230 CD GLU A 18 60.267 12.378 7.117 1.00 0.00 C ATOM 231 OE1 GLU A 18 61.243 11.653 7.012 1.00 0.00 O ATOM 232 OE2 GLU A 18 60.176 13.285 7.927 1.00 0.00 O ATOM 0 H GLU A 18 58.114 8.482 5.258 1.00 0.00 H new ATOM 0 HA GLU A 18 57.368 11.336 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 18 59.574 10.032 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 18 60.171 10.980 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 18 58.966 12.978 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 18 58.161 12.051 6.749 1.00 0.00 H new ATOM 319 N ASN A 24 50.627 0.463 -3.505 1.00 0.00 N ATOM 320 CA ASN A 24 51.321 -0.822 -3.813 1.00 0.00 C ATOM 321 C ASN A 24 52.599 -0.946 -2.983 1.00 0.00 C ATOM 322 O ASN A 24 53.673 -1.158 -3.514 1.00 0.00 O ATOM 323 CB ASN A 24 51.653 -0.742 -5.303 1.00 0.00 C ATOM 324 CG ASN A 24 50.958 -1.885 -6.045 1.00 0.00 C ATOM 325 OD1 ASN A 24 51.113 -3.037 -5.690 1.00 0.00 O ATOM 326 ND2 ASN A 24 50.195 -1.614 -7.068 1.00 0.00 N ATOM 0 HA ASN A 24 50.707 -1.691 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 24 51.330 0.217 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 24 52.731 -0.802 -5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 24 49.728 -2.369 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 24 50.065 -0.647 -7.365 1.00 0.00 H new ATOM 333 N CYS A 25 52.504 -0.802 -1.688 1.00 0.00 N ATOM 334 CA CYS A 25 53.730 -0.901 -0.838 1.00 0.00 C ATOM 335 C CYS A 25 53.377 -1.449 0.543 1.00 0.00 C ATOM 336 O CYS A 25 52.803 -0.765 1.367 1.00 0.00 O ATOM 337 CB CYS A 25 54.285 0.528 -0.685 1.00 0.00 C ATOM 338 SG CYS A 25 53.729 1.615 -2.029 1.00 0.00 S ATOM 0 H CYS A 25 51.637 -0.621 -1.183 1.00 0.00 H new ATOM 0 HA CYS A 25 54.458 -1.570 -1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 25 53.966 0.941 0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.374 0.495 -0.671 1.00 0.00 H new ATOM 343 N TYR A 26 53.740 -2.665 0.811 1.00 0.00 N ATOM 344 CA TYR A 26 53.451 -3.245 2.152 1.00 0.00 C ATOM 345 C TYR A 26 54.756 -3.330 2.939 1.00 0.00 C ATOM 346 O TYR A 26 55.460 -4.317 2.890 1.00 0.00 O ATOM 347 CB TYR A 26 52.886 -4.637 1.879 1.00 0.00 C ATOM 348 CG TYR A 26 51.857 -4.554 0.777 1.00 0.00 C ATOM 349 CD1 TYR A 26 50.831 -3.604 0.845 1.00 0.00 C ATOM 350 CD2 TYR A 26 51.927 -5.430 -0.312 1.00 0.00 C ATOM 351 CE1 TYR A 26 49.878 -3.526 -0.178 1.00 0.00 C ATOM 352 CE2 TYR A 26 50.974 -5.353 -1.336 1.00 0.00 C ATOM 353 CZ TYR A 26 49.949 -4.402 -1.268 1.00 0.00 C ATOM 354 OH TYR A 26 49.009 -4.327 -2.276 1.00 0.00 O ATOM 0 H TYR A 26 54.224 -3.286 0.163 1.00 0.00 H new ATOM 0 HA TYR A 26 52.749 -2.648 2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.688 -5.317 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 26 52.433 -5.042 2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 26 50.774 -2.931 1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 26 52.716 -6.166 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 26 49.089 -2.791 -0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 26 51.030 -6.027 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 26 49.204 -5.005 -2.956 1.00 0.00 H new ATOM 364 N VAL A 27 55.102 -2.290 3.640 1.00 0.00 N ATOM 365 CA VAL A 27 56.384 -2.303 4.396 1.00 0.00 C ATOM 366 C VAL A 27 56.174 -2.762 5.845 1.00 0.00 C ATOM 367 O VAL A 27 55.063 -2.899 6.316 1.00 0.00 O ATOM 368 CB VAL A 27 56.868 -0.851 4.350 1.00 0.00 C ATOM 369 CG1 VAL A 27 58.316 -0.781 4.825 1.00 0.00 C ATOM 370 CG2 VAL A 27 56.778 -0.322 2.917 1.00 0.00 C ATOM 0 H VAL A 27 54.555 -1.433 3.723 1.00 0.00 H new ATOM 0 HA VAL A 27 57.105 -2.998 3.966 1.00 0.00 H new ATOM 0 HB VAL A 27 56.240 -0.242 5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 27 58.660 0.253 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 27 58.382 -1.153 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 27 58.942 -1.393 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 27 57.123 0.711 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 27 57.403 -0.932 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.744 -0.369 2.576 1.00 0.00 H new ATOM 380 N ASP A 28 57.250 -3.006 6.547 1.00 0.00 N ATOM 381 CA ASP A 28 57.155 -3.466 7.962 1.00 0.00 C ATOM 382 C ASP A 28 58.379 -2.983 8.750 1.00 0.00 C ATOM 383 O ASP A 28 59.503 -3.219 8.358 1.00 0.00 O ATOM 384 CB ASP A 28 57.143 -4.992 7.881 1.00 0.00 C ATOM 385 CG ASP A 28 56.554 -5.569 9.170 1.00 0.00 C ATOM 386 OD1 ASP A 28 57.038 -5.208 10.231 1.00 0.00 O ATOM 387 OD2 ASP A 28 55.630 -6.360 9.075 1.00 0.00 O ATOM 0 H ASP A 28 58.202 -2.904 6.194 1.00 0.00 H new ATOM 0 HA ASP A 28 56.271 -3.078 8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.554 -5.316 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 28 58.156 -5.366 7.732 1.00 0.00 H new ATOM 392 N LYS A 29 58.178 -2.314 9.853 1.00 0.00 N ATOM 393 CA LYS A 29 59.345 -1.826 10.650 1.00 0.00 C ATOM 394 C LYS A 29 60.426 -1.270 9.718 1.00 0.00 C ATOM 395 O LYS A 29 61.557 -1.712 9.730 1.00 0.00 O ATOM 396 CB LYS A 29 59.865 -3.060 11.391 1.00 0.00 C ATOM 397 CG LYS A 29 58.701 -3.773 12.081 1.00 0.00 C ATOM 398 CD LYS A 29 58.806 -3.577 13.595 1.00 0.00 C ATOM 399 CE LYS A 29 57.429 -3.774 14.232 1.00 0.00 C ATOM 400 NZ LYS A 29 57.584 -4.960 15.118 1.00 0.00 N ATOM 0 H LYS A 29 57.261 -2.084 10.237 1.00 0.00 H new ATOM 0 HA LYS A 29 59.069 -1.024 11.335 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.356 -3.737 10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.613 -2.766 12.128 1.00 0.00 H new ATOM 0 HG2 LYS A 29 57.752 -3.378 11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 29 58.717 -4.836 11.839 1.00 0.00 H new ATOM 0 HD2 LYS A 29 59.518 -4.287 14.016 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.182 -2.578 13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 29 57.126 -2.894 14.799 1.00 0.00 H new ATOM 0 HE3 LYS A 29 56.664 -3.944 13.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 56.680 -5.160 15.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 57.866 -5.784 14.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 58.314 -4.766 15.833 1.00 0.00 H new ATOM 414 N SER A 30 60.083 -0.312 8.902 1.00 0.00 N ATOM 415 CA SER A 30 61.088 0.260 7.960 1.00 0.00 C ATOM 416 C SER A 30 61.235 1.760 8.173 1.00 0.00 C ATOM 417 O SER A 30 60.540 2.361 8.958 1.00 0.00 O ATOM 418 CB SER A 30 60.508 0.005 6.576 1.00 0.00 C ATOM 419 OG SER A 30 60.160 -1.370 6.464 1.00 0.00 O ATOM 0 H SER A 30 59.151 0.100 8.846 1.00 0.00 H new ATOM 0 HA SER A 30 62.072 -0.186 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 30 59.629 0.630 6.415 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.234 0.273 5.809 1.00 0.00 H new ATOM 0 HG SER A 30 60.564 -1.745 5.654 1.00 0.00 H new ATOM 425 N GLU A 31 62.125 2.370 7.456 1.00 0.00 N ATOM 426 CA GLU A 31 62.307 3.837 7.587 1.00 0.00 C ATOM 427 C GLU A 31 62.636 4.416 6.214 1.00 0.00 C ATOM 428 O GLU A 31 63.753 4.323 5.755 1.00 0.00 O ATOM 429 CB GLU A 31 63.480 4.014 8.554 1.00 0.00 C ATOM 430 CG GLU A 31 63.226 3.194 9.821 1.00 0.00 C ATOM 431 CD GLU A 31 64.164 3.668 10.932 1.00 0.00 C ATOM 432 OE1 GLU A 31 64.172 4.856 11.207 1.00 0.00 O ATOM 433 OE2 GLU A 31 64.860 2.834 11.489 1.00 0.00 O ATOM 0 H GLU A 31 62.739 1.915 6.780 1.00 0.00 H new ATOM 0 HA GLU A 31 61.417 4.348 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 31 64.407 3.693 8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 31 63.600 5.067 8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 31 62.188 3.303 10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 31 63.389 2.135 9.620 1.00 0.00 H new ATOM 440 N VAL A 32 61.675 4.995 5.543 1.00 0.00 N ATOM 441 CA VAL A 32 61.960 5.554 4.191 1.00 0.00 C ATOM 442 C VAL A 32 62.004 7.085 4.242 1.00 0.00 C ATOM 443 O VAL A 32 61.378 7.712 5.075 1.00 0.00 O ATOM 444 CB VAL A 32 60.811 5.064 3.307 1.00 0.00 C ATOM 445 CG1 VAL A 32 60.702 3.535 3.399 1.00 0.00 C ATOM 446 CG2 VAL A 32 59.506 5.698 3.781 1.00 0.00 C ATOM 0 H VAL A 32 60.715 5.104 5.869 1.00 0.00 H new ATOM 0 HA VAL A 32 62.928 5.232 3.807 1.00 0.00 H new ATOM 0 HB VAL A 32 61.002 5.348 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 32 59.883 3.190 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 32 61.635 3.083 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.511 3.245 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.684 5.352 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.318 5.413 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 32 59.583 6.783 3.712 1.00 0.00 H new ATOM 456 N TYR A 33 62.752 7.684 3.356 1.00 0.00 N ATOM 457 CA TYR A 33 62.865 9.175 3.337 1.00 0.00 C ATOM 458 C TYR A 33 62.734 9.703 1.907 1.00 0.00 C ATOM 459 O TYR A 33 63.713 9.911 1.226 1.00 0.00 O ATOM 460 CB TYR A 33 64.265 9.474 3.874 1.00 0.00 C ATOM 461 CG TYR A 33 64.355 10.933 4.250 1.00 0.00 C ATOM 462 CD1 TYR A 33 64.009 11.347 5.542 1.00 0.00 C ATOM 463 CD2 TYR A 33 64.785 11.873 3.306 1.00 0.00 C ATOM 464 CE1 TYR A 33 64.094 12.701 5.889 1.00 0.00 C ATOM 465 CE2 TYR A 33 64.870 13.226 3.653 1.00 0.00 C ATOM 466 CZ TYR A 33 64.524 13.641 4.944 1.00 0.00 C ATOM 467 OH TYR A 33 64.608 14.975 5.286 1.00 0.00 O ATOM 0 H TYR A 33 63.294 7.203 2.638 1.00 0.00 H new ATOM 0 HA TYR A 33 62.082 9.649 3.929 1.00 0.00 H new ATOM 0 HB2 TYR A 33 64.475 8.849 4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 33 65.015 9.234 3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 33 63.677 10.622 6.271 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.051 11.554 2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 33 63.828 13.021 6.886 1.00 0.00 H new ATOM 0 HE2 TYR A 33 65.203 13.950 2.924 1.00 0.00 H new ATOM 0 HH TYR A 33 64.924 15.491 4.515 1.00 0.00 H new ATOM 477 N GLY A 34 61.536 9.924 1.449 1.00 0.00 N ATOM 478 CA GLY A 34 61.357 10.438 0.064 1.00 0.00 C ATOM 479 C GLY A 34 61.534 9.288 -0.927 1.00 0.00 C ATOM 480 O GLY A 34 62.188 9.424 -1.942 1.00 0.00 O ATOM 0 H GLY A 34 60.674 9.772 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.367 10.880 -0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.083 11.225 -0.141 1.00 0.00 H new ATOM 484 N THR A 35 60.959 8.154 -0.637 1.00 0.00 N ATOM 485 CA THR A 35 61.098 6.990 -1.559 1.00 0.00 C ATOM 486 C THR A 35 59.801 6.778 -2.346 1.00 0.00 C ATOM 487 O THR A 35 58.766 7.324 -2.024 1.00 0.00 O ATOM 488 CB THR A 35 61.382 5.796 -0.640 1.00 0.00 C ATOM 489 OG1 THR A 35 62.754 5.799 -0.279 1.00 0.00 O ATOM 490 CG2 THR A 35 61.053 4.488 -1.365 1.00 0.00 C ATOM 0 H THR A 35 60.399 7.982 0.198 1.00 0.00 H new ATOM 0 HA THR A 35 61.888 7.133 -2.296 1.00 0.00 H new ATOM 0 HB THR A 35 60.763 5.876 0.254 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.945 6.586 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.258 3.645 -0.705 1.00 0.00 H new ATOM 0 HG22 THR A 35 60.000 4.482 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.667 4.404 -2.262 1.00 0.00 H new ATOM 498 N THR A 36 59.853 5.985 -3.378 1.00 0.00 N ATOM 499 CA THR A 36 58.628 5.727 -4.188 1.00 0.00 C ATOM 500 C THR A 36 58.453 4.223 -4.384 1.00 0.00 C ATOM 501 O THR A 36 59.390 3.516 -4.696 1.00 0.00 O ATOM 502 CB THR A 36 58.866 6.423 -5.534 1.00 0.00 C ATOM 503 OG1 THR A 36 58.063 5.800 -6.528 1.00 0.00 O ATOM 504 CG2 THR A 36 60.342 6.318 -5.930 1.00 0.00 C ATOM 0 H THR A 36 60.693 5.502 -3.698 1.00 0.00 H new ATOM 0 HA THR A 36 57.726 6.102 -3.704 1.00 0.00 H new ATOM 0 HB THR A 36 58.599 7.476 -5.446 1.00 0.00 H new ATOM 0 HG1 THR A 36 58.209 6.241 -7.391 1.00 0.00 H new ATOM 0 HG21 THR A 36 60.498 6.816 -6.887 1.00 0.00 H new ATOM 0 HG22 THR A 36 60.958 6.795 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 36 60.622 5.268 -6.017 1.00 0.00 H new ATOM 512 N CYS A 37 57.263 3.723 -4.199 1.00 0.00 N ATOM 513 CA CYS A 37 57.045 2.259 -4.371 1.00 0.00 C ATOM 514 C CYS A 37 55.984 1.999 -5.442 1.00 0.00 C ATOM 515 O CYS A 37 54.818 1.822 -5.147 1.00 0.00 O ATOM 516 CB CYS A 37 56.579 1.754 -3.004 1.00 0.00 C ATOM 517 SG CYS A 37 55.294 2.846 -2.350 1.00 0.00 S ATOM 0 H CYS A 37 56.436 4.261 -3.938 1.00 0.00 H new ATOM 0 HA CYS A 37 57.950 1.747 -4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 37 56.194 0.738 -3.094 1.00 0.00 H new ATOM 0 HB3 CYS A 37 57.422 1.716 -2.314 1.00 0.00 H new ATOM 522 N THR A 38 56.383 1.972 -6.684 1.00 0.00 N ATOM 523 CA THR A 38 55.405 1.718 -7.779 1.00 0.00 C ATOM 524 C THR A 38 55.247 0.212 -7.999 1.00 0.00 C ATOM 525 O THR A 38 54.593 -0.227 -8.924 1.00 0.00 O ATOM 526 CB THR A 38 56.013 2.385 -9.016 1.00 0.00 C ATOM 527 OG1 THR A 38 57.101 1.603 -9.490 1.00 0.00 O ATOM 528 CG2 THR A 38 56.509 3.786 -8.650 1.00 0.00 C ATOM 0 H THR A 38 57.346 2.115 -6.988 1.00 0.00 H new ATOM 0 HA THR A 38 54.414 2.112 -7.553 1.00 0.00 H new ATOM 0 HB THR A 38 55.256 2.462 -9.796 1.00 0.00 H new ATOM 0 HG1 THR A 38 57.489 2.029 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 38 56.942 4.260 -9.531 1.00 0.00 H new ATOM 0 HG22 THR A 38 55.673 4.385 -8.289 1.00 0.00 H new ATOM 0 HG23 THR A 38 57.266 3.712 -7.869 1.00 0.00 H new ATOM 536 N GLY A 39 55.841 -0.584 -7.150 1.00 0.00 N ATOM 537 CA GLY A 39 55.723 -2.062 -7.307 1.00 0.00 C ATOM 538 C GLY A 39 56.839 -2.754 -6.524 1.00 0.00 C ATOM 539 O GLY A 39 57.807 -3.224 -7.088 1.00 0.00 O ATOM 0 H GLY A 39 56.402 -0.275 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 39 54.751 -2.399 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 39 55.784 -2.331 -8.361 1.00 0.00 H new ATOM 543 N SER A 40 56.711 -2.826 -5.227 1.00 0.00 N ATOM 544 CA SER A 40 57.765 -3.494 -4.409 1.00 0.00 C ATOM 545 C SER A 40 57.195 -3.912 -3.055 1.00 0.00 C ATOM 546 O SER A 40 56.040 -3.683 -2.756 1.00 0.00 O ATOM 547 CB SER A 40 58.852 -2.442 -4.216 1.00 0.00 C ATOM 548 OG SER A 40 58.603 -1.726 -3.013 1.00 0.00 O ATOM 0 H SER A 40 55.923 -2.452 -4.698 1.00 0.00 H new ATOM 0 HA SER A 40 58.147 -4.393 -4.893 1.00 0.00 H new ATOM 0 HB2 SER A 40 59.832 -2.918 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 40 58.867 -1.757 -5.064 1.00 0.00 H new ATOM 0 HG SER A 40 59.269 -1.977 -2.339 1.00 0.00 H new ATOM 554 N ARG A 41 58.002 -4.518 -2.231 1.00 0.00 N ATOM 555 CA ARG A 41 57.515 -4.945 -0.893 1.00 0.00 C ATOM 556 C ARG A 41 58.642 -4.829 0.133 1.00 0.00 C ATOM 557 O ARG A 41 59.661 -5.480 0.029 1.00 0.00 O ATOM 558 CB ARG A 41 57.099 -6.405 -1.066 1.00 0.00 C ATOM 559 CG ARG A 41 56.944 -7.063 0.310 1.00 0.00 C ATOM 560 CD ARG A 41 56.159 -6.134 1.243 1.00 0.00 C ATOM 561 NE ARG A 41 55.259 -7.034 2.020 1.00 0.00 N ATOM 562 CZ ARG A 41 55.500 -7.272 3.281 1.00 0.00 C ATOM 563 NH1 ARG A 41 55.179 -6.385 4.184 1.00 0.00 N ATOM 564 NH2 ARG A 41 56.057 -8.396 3.640 1.00 0.00 N ATOM 0 H ARG A 41 58.979 -4.736 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 41 56.690 -4.328 -0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.160 -6.463 -1.616 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.846 -6.939 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 41 56.426 -8.017 0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 41 57.925 -7.276 0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.828 -5.580 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 41 55.588 -5.398 0.677 1.00 0.00 H new ATOM 0 HE ARG A 41 54.454 -7.464 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 41 54.741 -5.508 3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 41 55.367 -6.570 5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 41 56.305 -9.090 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 41 56.245 -8.580 4.626 1.00 0.00 H new ATOM 578 N PHE A 42 58.472 -4.003 1.123 1.00 0.00 N ATOM 579 CA PHE A 42 59.545 -3.856 2.150 1.00 0.00 C ATOM 580 C PHE A 42 59.197 -4.698 3.382 1.00 0.00 C ATOM 581 O PHE A 42 58.041 -4.912 3.690 1.00 0.00 O ATOM 582 CB PHE A 42 59.542 -2.371 2.519 1.00 0.00 C ATOM 583 CG PHE A 42 60.290 -1.560 1.484 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.283 -1.933 0.131 1.00 0.00 C ATOM 585 CD2 PHE A 42 60.992 -0.418 1.889 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.976 -1.164 -0.815 1.00 0.00 C ATOM 587 CE2 PHE A 42 61.685 0.351 0.944 1.00 0.00 C ATOM 588 CZ PHE A 42 61.677 -0.022 -0.406 1.00 0.00 C ATOM 0 H PHE A 42 57.644 -3.425 1.269 1.00 0.00 H new ATOM 0 HA PHE A 42 60.517 -4.187 1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 42 58.515 -2.013 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 42 60.002 -2.234 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 42 59.743 -2.814 -0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 42 60.999 -0.130 2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 42 60.969 -1.451 -1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 42 62.226 1.232 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 42 62.212 0.571 -1.133 1.00 0.00 H new ATOM 598 N ASP A 43 60.181 -5.173 4.092 1.00 0.00 N ATOM 599 CA ASP A 43 59.896 -5.995 5.306 1.00 0.00 C ATOM 600 C ASP A 43 60.966 -5.730 6.368 1.00 0.00 C ATOM 601 O ASP A 43 61.819 -6.554 6.627 1.00 0.00 O ATOM 602 CB ASP A 43 59.958 -7.446 4.827 1.00 0.00 C ATOM 603 CG ASP A 43 58.644 -8.154 5.161 1.00 0.00 C ATOM 604 OD1 ASP A 43 57.632 -7.477 5.241 1.00 0.00 O ATOM 605 OD2 ASP A 43 58.671 -9.362 5.333 1.00 0.00 O ATOM 0 H ASP A 43 61.170 -5.029 3.887 1.00 0.00 H new ATOM 0 HA ASP A 43 58.930 -5.761 5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 43 60.136 -7.477 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 43 60.792 -7.961 5.304 1.00 0.00 H new ATOM 610 N GLY A 44 60.936 -4.574 6.970 1.00 0.00 N ATOM 611 CA GLY A 44 61.964 -4.241 7.993 1.00 0.00 C ATOM 612 C GLY A 44 63.153 -3.613 7.272 1.00 0.00 C ATOM 613 O GLY A 44 64.175 -4.238 7.079 1.00 0.00 O ATOM 0 H GLY A 44 60.243 -3.845 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 44 61.558 -3.551 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 44 62.273 -5.138 8.530 1.00 0.00 H new ATOM 617 N VAL A 45 63.013 -2.393 6.832 1.00 0.00 N ATOM 618 CA VAL A 45 64.127 -1.748 6.084 1.00 0.00 C ATOM 619 C VAL A 45 64.194 -0.244 6.381 1.00 0.00 C ATOM 620 O VAL A 45 63.191 0.436 6.433 1.00 0.00 O ATOM 621 CB VAL A 45 63.763 -2.003 4.616 1.00 0.00 C ATOM 622 CG1 VAL A 45 64.408 -0.954 3.707 1.00 0.00 C ATOM 623 CG2 VAL A 45 64.246 -3.395 4.206 1.00 0.00 C ATOM 0 H VAL A 45 62.180 -1.818 6.957 1.00 0.00 H new ATOM 0 HA VAL A 45 65.106 -2.144 6.355 1.00 0.00 H new ATOM 0 HB VAL A 45 62.680 -1.938 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 45 64.136 -1.154 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 45 64.056 0.038 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 45 65.492 -0.998 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 45 63.988 -3.577 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 45 65.327 -3.455 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 45 63.767 -4.146 4.835 1.00 0.00 H new ATOM 633 N THR A 46 65.375 0.283 6.546 1.00 0.00 N ATOM 634 CA THR A 46 65.506 1.745 6.802 1.00 0.00 C ATOM 635 C THR A 46 66.189 2.403 5.605 1.00 0.00 C ATOM 636 O THR A 46 67.400 2.469 5.525 1.00 0.00 O ATOM 637 CB THR A 46 66.372 1.877 8.053 1.00 0.00 C ATOM 638 OG1 THR A 46 65.636 1.441 9.186 1.00 0.00 O ATOM 639 CG2 THR A 46 66.771 3.341 8.229 1.00 0.00 C ATOM 0 H THR A 46 66.254 -0.234 6.515 1.00 0.00 H new ATOM 0 HA THR A 46 64.540 2.229 6.944 1.00 0.00 H new ATOM 0 HB THR A 46 67.267 1.264 7.951 1.00 0.00 H new ATOM 0 HG1 THR A 46 66.126 1.671 10.003 1.00 0.00 H new ATOM 0 HG21 THR A 46 67.390 3.445 9.120 1.00 0.00 H new ATOM 0 HG22 THR A 46 67.333 3.672 7.356 1.00 0.00 H new ATOM 0 HG23 THR A 46 65.875 3.952 8.336 1.00 0.00 H new ATOM 647 N ILE A 47 65.421 2.872 4.667 1.00 0.00 N ATOM 648 CA ILE A 47 66.019 3.506 3.460 1.00 0.00 C ATOM 649 C ILE A 47 65.714 5.004 3.435 1.00 0.00 C ATOM 650 O ILE A 47 64.935 5.504 4.216 1.00 0.00 O ATOM 651 CB ILE A 47 65.336 2.802 2.288 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.820 2.948 2.427 1.00 0.00 C ATOM 653 CG2 ILE A 47 65.701 1.318 2.298 1.00 0.00 C ATOM 654 CD1 ILE A 47 63.255 3.649 1.189 1.00 0.00 C ATOM 0 H ILE A 47 64.401 2.845 4.682 1.00 0.00 H new ATOM 0 HA ILE A 47 67.104 3.409 3.431 1.00 0.00 H new ATOM 0 HB ILE A 47 65.667 3.251 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.359 1.967 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 47 63.580 3.521 3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 47 65.213 0.818 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 47 66.782 1.208 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 47 65.369 0.868 3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 47 62.175 3.752 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.706 4.637 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.481 3.058 0.301 1.00 0.00 H new ATOM 666 N THR A 48 66.317 5.728 2.541 1.00 0.00 N ATOM 667 CA THR A 48 66.043 7.186 2.479 1.00 0.00 C ATOM 668 C THR A 48 65.430 7.545 1.125 1.00 0.00 C ATOM 669 O THR A 48 64.686 6.776 0.551 1.00 0.00 O ATOM 670 CB THR A 48 67.404 7.857 2.655 1.00 0.00 C ATOM 671 OG1 THR A 48 67.223 9.261 2.773 1.00 0.00 O ATOM 672 CG2 THR A 48 68.283 7.553 1.444 1.00 0.00 C ATOM 0 H THR A 48 66.984 5.377 1.854 1.00 0.00 H new ATOM 0 HA THR A 48 65.336 7.509 3.243 1.00 0.00 H new ATOM 0 HB THR A 48 67.887 7.475 3.555 1.00 0.00 H new ATOM 0 HG1 THR A 48 68.094 9.695 2.888 1.00 0.00 H new ATOM 0 HG21 THR A 48 69.254 8.032 1.570 1.00 0.00 H new ATOM 0 HG22 THR A 48 68.419 6.475 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 48 67.804 7.935 0.542 1.00 0.00 H new ATOM 680 N THR A 49 65.731 8.704 0.608 1.00 0.00 N ATOM 681 CA THR A 49 65.157 9.098 -0.711 1.00 0.00 C ATOM 682 C THR A 49 65.676 8.171 -1.811 1.00 0.00 C ATOM 683 O THR A 49 66.596 8.502 -2.531 1.00 0.00 O ATOM 684 CB THR A 49 65.639 10.530 -0.945 1.00 0.00 C ATOM 685 OG1 THR A 49 65.036 11.393 0.009 1.00 0.00 O ATOM 686 CG2 THR A 49 65.248 10.976 -2.354 1.00 0.00 C ATOM 0 H THR A 49 66.347 9.393 1.039 1.00 0.00 H new ATOM 0 HA THR A 49 64.069 9.029 -0.724 1.00 0.00 H new ATOM 0 HB THR A 49 66.723 10.571 -0.839 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.221 10.976 0.359 1.00 0.00 H new ATOM 0 HG21 THR A 49 65.592 11.997 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.709 10.314 -3.086 1.00 0.00 H new ATOM 0 HG23 THR A 49 64.164 10.936 -2.461 1.00 0.00 H new ATOM 694 N SER A 50 65.096 7.009 -1.945 1.00 0.00 N ATOM 695 CA SER A 50 65.565 6.066 -3.001 1.00 0.00 C ATOM 696 C SER A 50 64.371 5.414 -3.698 1.00 0.00 C ATOM 697 O SER A 50 63.327 5.223 -3.110 1.00 0.00 O ATOM 698 CB SER A 50 66.390 5.017 -2.259 1.00 0.00 C ATOM 699 OG SER A 50 65.544 3.942 -1.871 1.00 0.00 O ATOM 0 H SER A 50 64.322 6.673 -1.372 1.00 0.00 H new ATOM 0 HA SER A 50 66.146 6.570 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 50 67.193 4.650 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 50 66.859 5.461 -1.381 1.00 0.00 H new ATOM 0 HG SER A 50 66.062 3.110 -1.848 1.00 0.00 H new ATOM 705 N THR A 51 64.514 5.068 -4.949 1.00 0.00 N ATOM 706 CA THR A 51 63.382 4.426 -5.674 1.00 0.00 C ATOM 707 C THR A 51 63.725 2.971 -6.008 1.00 0.00 C ATOM 708 O THR A 51 63.869 2.604 -7.156 1.00 0.00 O ATOM 709 CB THR A 51 63.207 5.247 -6.951 1.00 0.00 C ATOM 710 OG1 THR A 51 62.106 4.739 -7.690 1.00 0.00 O ATOM 711 CG2 THR A 51 64.476 5.155 -7.794 1.00 0.00 C ATOM 0 H THR A 51 65.363 5.202 -5.498 1.00 0.00 H new ATOM 0 HA THR A 51 62.469 4.407 -5.079 1.00 0.00 H new ATOM 0 HB THR A 51 63.021 6.289 -6.692 1.00 0.00 H new ATOM 0 HG1 THR A 51 62.291 3.815 -7.959 1.00 0.00 H new ATOM 0 HG21 THR A 51 64.351 5.741 -8.705 1.00 0.00 H new ATOM 0 HG22 THR A 51 65.320 5.545 -7.225 1.00 0.00 H new ATOM 0 HG23 THR A 51 64.665 4.114 -8.055 1.00 0.00 H new ATOM 719 N SER A 52 63.850 2.139 -5.009 1.00 0.00 N ATOM 720 CA SER A 52 64.176 0.707 -5.267 1.00 0.00 C ATOM 721 C SER A 52 62.913 -0.144 -5.128 1.00 0.00 C ATOM 722 O SER A 52 62.572 -0.600 -4.054 1.00 0.00 O ATOM 723 CB SER A 52 65.200 0.333 -4.195 1.00 0.00 C ATOM 724 OG SER A 52 66.423 -0.029 -4.821 1.00 0.00 O ATOM 0 H SER A 52 63.741 2.389 -4.026 1.00 0.00 H new ATOM 0 HA SER A 52 64.566 0.541 -6.271 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.359 1.173 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 52 64.827 -0.495 -3.593 1.00 0.00 H new ATOM 0 HG SER A 52 66.913 0.781 -5.075 1.00 0.00 H new ATOM 730 N THR A 53 62.211 -0.348 -6.207 1.00 0.00 N ATOM 731 CA THR A 53 60.960 -1.158 -6.146 1.00 0.00 C ATOM 732 C THR A 53 61.043 -2.331 -7.127 1.00 0.00 C ATOM 733 O THR A 53 61.549 -2.197 -8.223 1.00 0.00 O ATOM 734 CB THR A 53 59.858 -0.189 -6.581 1.00 0.00 C ATOM 735 OG1 THR A 53 60.069 0.184 -7.936 1.00 0.00 O ATOM 736 CG2 THR A 53 59.898 1.058 -5.698 1.00 0.00 C ATOM 0 H THR A 53 62.449 0.012 -7.131 1.00 0.00 H new ATOM 0 HA THR A 53 60.783 -1.578 -5.156 1.00 0.00 H new ATOM 0 HB THR A 53 58.886 -0.673 -6.482 1.00 0.00 H new ATOM 0 HG1 THR A 53 59.364 0.803 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 53 59.113 1.748 -6.008 1.00 0.00 H new ATOM 0 HG22 THR A 53 59.741 0.773 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 53 60.869 1.544 -5.798 1.00 0.00 H new ATOM 744 N GLY A 54 60.545 -3.478 -6.752 1.00 0.00 N ATOM 745 CA GLY A 54 60.595 -4.644 -7.680 1.00 0.00 C ATOM 746 C GLY A 54 60.838 -5.931 -6.889 1.00 0.00 C ATOM 747 O GLY A 54 60.378 -6.993 -7.259 1.00 0.00 O ATOM 0 H GLY A 54 60.108 -3.658 -5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 54 59.659 -4.719 -8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 54 61.389 -4.502 -8.413 1.00 0.00 H new ATOM 751 N SER A 55 61.565 -5.849 -5.809 1.00 0.00 N ATOM 752 CA SER A 55 61.844 -7.071 -5.004 1.00 0.00 C ATOM 753 C SER A 55 61.357 -6.888 -3.564 1.00 0.00 C ATOM 754 O SER A 55 61.167 -5.783 -3.095 1.00 0.00 O ATOM 755 CB SER A 55 63.367 -7.225 -5.030 1.00 0.00 C ATOM 756 OG SER A 55 63.923 -6.305 -5.959 1.00 0.00 O ATOM 0 H SER A 55 61.978 -4.988 -5.449 1.00 0.00 H new ATOM 0 HA SER A 55 61.333 -7.947 -5.404 1.00 0.00 H new ATOM 0 HB2 SER A 55 63.778 -7.047 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 55 63.635 -8.244 -5.308 1.00 0.00 H new ATOM 0 HG SER A 55 64.898 -6.403 -5.973 1.00 0.00 H new ATOM 762 N ARG A 56 61.172 -7.967 -2.856 1.00 0.00 N ATOM 763 CA ARG A 56 60.717 -7.866 -1.441 1.00 0.00 C ATOM 764 C ARG A 56 61.945 -7.820 -0.532 1.00 0.00 C ATOM 765 O ARG A 56 62.671 -8.786 -0.409 1.00 0.00 O ATOM 766 CB ARG A 56 59.902 -9.136 -1.195 1.00 0.00 C ATOM 767 CG ARG A 56 59.748 -9.364 0.311 1.00 0.00 C ATOM 768 CD ARG A 56 60.630 -10.538 0.742 1.00 0.00 C ATOM 769 NE ARG A 56 59.754 -11.377 1.606 1.00 0.00 N ATOM 770 CZ ARG A 56 59.138 -12.410 1.100 1.00 0.00 C ATOM 771 NH1 ARG A 56 59.778 -13.533 0.927 1.00 0.00 N ATOM 772 NH2 ARG A 56 57.878 -12.319 0.768 1.00 0.00 N ATOM 0 H ARG A 56 61.317 -8.917 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 56 60.125 -6.973 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 56 58.921 -9.047 -1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 56 60.397 -9.992 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 56 60.030 -8.464 0.857 1.00 0.00 H new ATOM 0 HG3 ARG A 56 58.706 -9.570 0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 56 60.990 -11.100 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 56 61.509 -10.193 1.287 1.00 0.00 H new ATOM 0 HE ARG A 56 59.636 -11.144 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 56 60.762 -13.605 1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 56 59.295 -14.340 0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 56 57.377 -11.441 0.904 1.00 0.00 H new ATOM 0 HH22 ARG A 56 57.395 -13.126 0.372 1.00 0.00 H new ATOM 786 N ILE A 57 62.210 -6.696 0.077 1.00 0.00 N ATOM 787 CA ILE A 57 63.419 -6.596 0.933 1.00 0.00 C ATOM 788 C ILE A 57 63.078 -6.573 2.424 1.00 0.00 C ATOM 789 O ILE A 57 61.978 -6.256 2.828 1.00 0.00 O ATOM 790 CB ILE A 57 64.064 -5.282 0.523 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.075 -4.130 0.698 1.00 0.00 C ATOM 792 CG2 ILE A 57 64.496 -5.358 -0.941 1.00 0.00 C ATOM 793 CD1 ILE A 57 63.864 -2.849 0.980 1.00 0.00 C ATOM 0 H ILE A 57 61.644 -5.850 0.018 1.00 0.00 H new ATOM 0 HA ILE A 57 64.070 -7.459 0.796 1.00 0.00 H new ATOM 0 HB ILE A 57 64.934 -5.105 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 57 62.469 -4.011 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 57 62.390 -4.341 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 57 64.958 -4.415 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 57 65.214 -6.168 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 57 63.624 -5.545 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 57 63.172 -2.016 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 57 64.451 -2.976 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 57 64.532 -2.641 0.144 1.00 0.00 H new ATOM 805 N SER A 58 64.047 -6.899 3.236 1.00 0.00 N ATOM 806 CA SER A 58 63.846 -6.898 4.710 1.00 0.00 C ATOM 807 C SER A 58 65.149 -6.477 5.393 1.00 0.00 C ATOM 808 O SER A 58 66.104 -6.111 4.739 1.00 0.00 O ATOM 809 CB SER A 58 63.501 -8.344 5.065 1.00 0.00 C ATOM 810 OG SER A 58 63.718 -8.553 6.454 1.00 0.00 O ATOM 0 H SER A 58 64.983 -7.170 2.934 1.00 0.00 H new ATOM 0 HA SER A 58 63.065 -6.209 5.030 1.00 0.00 H new ATOM 0 HB2 SER A 58 62.462 -8.554 4.812 1.00 0.00 H new ATOM 0 HB3 SER A 58 64.116 -9.030 4.482 1.00 0.00 H new ATOM 0 HG SER A 58 63.051 -8.052 6.968 1.00 0.00 H new ATOM 816 N GLY A 59 65.212 -6.535 6.695 1.00 0.00 N ATOM 817 CA GLY A 59 66.475 -6.145 7.381 1.00 0.00 C ATOM 818 C GLY A 59 66.184 -5.607 8.783 1.00 0.00 C ATOM 819 O GLY A 59 65.511 -4.608 8.935 1.00 0.00 O ATOM 0 H GLY A 59 64.452 -6.832 7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 59 67.140 -7.006 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 59 66.994 -5.386 6.795 1.00 0.00 H new ATOM 823 N PRO A 60 66.734 -6.267 9.767 1.00 0.00 N ATOM 824 CA PRO A 60 66.555 -5.819 11.167 1.00 0.00 C ATOM 825 C PRO A 60 67.368 -4.536 11.379 1.00 0.00 C ATOM 826 O PRO A 60 67.278 -3.884 12.399 1.00 0.00 O ATOM 827 CB PRO A 60 67.119 -6.975 11.990 1.00 0.00 C ATOM 828 CG PRO A 60 68.080 -7.665 11.075 1.00 0.00 C ATOM 829 CD PRO A 60 67.561 -7.474 9.673 1.00 0.00 C ATOM 0 HA PRO A 60 65.524 -5.594 11.438 1.00 0.00 H new ATOM 0 HB2 PRO A 60 67.619 -6.613 12.888 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.328 -7.651 12.315 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.081 -7.245 11.177 1.00 0.00 H new ATOM 0 HG3 PRO A 60 68.153 -8.725 11.319 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.375 -7.347 8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 60 66.978 -8.333 9.342 1.00 0.00 H new ATOM 837 N GLY A 61 68.153 -4.176 10.397 1.00 0.00 N ATOM 838 CA GLY A 61 68.979 -2.943 10.487 1.00 0.00 C ATOM 839 C GLY A 61 69.464 -2.591 9.080 1.00 0.00 C ATOM 840 O GLY A 61 70.580 -2.151 8.884 1.00 0.00 O ATOM 0 H GLY A 61 68.256 -4.695 9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 61 68.394 -2.123 10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 61 69.827 -3.101 11.153 1.00 0.00 H new ATOM 844 N CYS A 62 68.629 -2.800 8.095 1.00 0.00 N ATOM 845 CA CYS A 62 69.024 -2.505 6.688 1.00 0.00 C ATOM 846 C CYS A 62 69.094 -0.992 6.454 1.00 0.00 C ATOM 847 O CYS A 62 68.314 -0.236 6.994 1.00 0.00 O ATOM 848 CB CYS A 62 67.902 -3.128 5.850 1.00 0.00 C ATOM 849 SG CYS A 62 67.943 -2.466 4.167 1.00 0.00 S ATOM 0 H CYS A 62 67.683 -3.165 8.208 1.00 0.00 H new ATOM 0 HA CYS A 62 70.008 -2.901 6.435 1.00 0.00 H new ATOM 0 HB2 CYS A 62 68.015 -4.212 5.826 1.00 0.00 H new ATOM 0 HB3 CYS A 62 66.936 -2.918 6.308 1.00 0.00 H new ATOM 854 N LYS A 63 70.025 -0.547 5.649 1.00 0.00 N ATOM 855 CA LYS A 63 70.141 0.917 5.380 1.00 0.00 C ATOM 856 C LYS A 63 70.566 1.167 3.930 1.00 0.00 C ATOM 857 O LYS A 63 71.633 0.767 3.509 1.00 0.00 O ATOM 858 CB LYS A 63 71.215 1.414 6.347 1.00 0.00 C ATOM 859 CG LYS A 63 70.559 2.225 7.463 1.00 0.00 C ATOM 860 CD LYS A 63 71.490 2.272 8.676 1.00 0.00 C ATOM 861 CE LYS A 63 72.753 3.062 8.323 1.00 0.00 C ATOM 862 NZ LYS A 63 73.447 3.284 9.624 1.00 0.00 N ATOM 0 H LYS A 63 70.708 -1.133 5.168 1.00 0.00 H new ATOM 0 HA LYS A 63 69.192 1.434 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 63 71.759 0.569 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.942 2.028 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 63 70.346 3.236 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 63 69.605 1.776 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 63 70.981 2.738 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 63 71.755 1.260 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 63 73.384 2.507 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.505 4.008 7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 74.323 3.820 9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 72.825 3.820 10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 73.677 2.366 10.056 1.00 0.00 H new ATOM 876 N ILE A 64 69.738 1.827 3.163 1.00 0.00 N ATOM 877 CA ILE A 64 70.096 2.106 1.741 1.00 0.00 C ATOM 878 C ILE A 64 70.495 3.578 1.572 1.00 0.00 C ATOM 879 O ILE A 64 70.389 4.370 2.487 1.00 0.00 O ATOM 880 CB ILE A 64 68.826 1.772 0.940 1.00 0.00 C ATOM 881 CG1 ILE A 64 69.219 1.221 -0.430 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.956 3.021 0.747 1.00 0.00 C ATOM 883 CD1 ILE A 64 68.039 0.452 -1.027 1.00 0.00 C ATOM 0 H ILE A 64 68.830 2.185 3.460 1.00 0.00 H new ATOM 0 HA ILE A 64 70.948 1.518 1.400 1.00 0.00 H new ATOM 0 HB ILE A 64 68.254 1.029 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 64 69.508 2.037 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 64 70.084 0.565 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 64 67.064 2.759 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.663 3.414 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.522 3.779 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 64 68.318 0.058 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 64 67.771 -0.373 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 64 67.186 1.122 -1.136 1.00 0.00 H new ATOM 895 N SER A 65 70.941 3.949 0.403 1.00 0.00 N ATOM 896 CA SER A 65 71.335 5.368 0.168 1.00 0.00 C ATOM 897 C SER A 65 71.033 5.760 -1.281 1.00 0.00 C ATOM 898 O SER A 65 71.892 5.709 -2.140 1.00 0.00 O ATOM 899 CB SER A 65 72.837 5.419 0.437 1.00 0.00 C ATOM 900 OG SER A 65 73.146 6.593 1.180 1.00 0.00 O ATOM 0 H SER A 65 71.050 3.330 -0.401 1.00 0.00 H new ATOM 0 HA SER A 65 70.789 6.060 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 65 73.149 4.533 0.990 1.00 0.00 H new ATOM 0 HB3 SER A 65 73.386 5.416 -0.504 1.00 0.00 H new ATOM 0 HG SER A 65 74.110 6.625 1.355 1.00 0.00 H new ATOM 906 N THR A 66 69.819 6.150 -1.559 1.00 0.00 N ATOM 907 CA THR A 66 69.458 6.546 -2.953 1.00 0.00 C ATOM 908 C THR A 66 69.681 5.370 -3.911 1.00 0.00 C ATOM 909 O THR A 66 70.682 4.684 -3.849 1.00 0.00 O ATOM 910 CB THR A 66 70.392 7.710 -3.298 1.00 0.00 C ATOM 911 OG1 THR A 66 71.033 8.175 -2.117 1.00 0.00 O ATOM 912 CG2 THR A 66 69.580 8.847 -3.920 1.00 0.00 C ATOM 0 H THR A 66 69.059 6.212 -0.881 1.00 0.00 H new ATOM 0 HA THR A 66 68.410 6.832 -3.041 1.00 0.00 H new ATOM 0 HB THR A 66 71.146 7.370 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.631 8.918 -2.341 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.244 9.676 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 66 69.092 8.491 -4.827 1.00 0.00 H new ATOM 0 HG23 THR A 66 68.825 9.185 -3.211 1.00 0.00 H new ATOM 920 N CYS A 67 68.751 5.131 -4.795 1.00 0.00 N ATOM 921 CA CYS A 67 68.900 4.000 -5.754 1.00 0.00 C ATOM 922 C CYS A 67 67.858 4.126 -6.869 1.00 0.00 C ATOM 923 O CYS A 67 66.936 4.911 -6.779 1.00 0.00 O ATOM 924 CB CYS A 67 68.650 2.741 -4.924 1.00 0.00 C ATOM 925 SG CYS A 67 68.916 1.272 -5.948 1.00 0.00 S ATOM 0 H CYS A 67 67.892 5.672 -4.894 1.00 0.00 H new ATOM 0 HA CYS A 67 69.880 3.982 -6.230 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.319 2.722 -4.064 1.00 0.00 H new ATOM 0 HB3 CYS A 67 67.631 2.746 -4.536 1.00 0.00 H new ATOM 0 HG CYS A 67 67.916 1.126 -6.766 1.00 0.00 H new ATOM 930 N ILE A 68 67.996 3.362 -7.920 1.00 0.00 N ATOM 931 CA ILE A 68 67.011 3.447 -9.039 1.00 0.00 C ATOM 932 C ILE A 68 65.996 2.303 -8.933 1.00 0.00 C ATOM 933 O ILE A 68 66.064 1.483 -8.039 1.00 0.00 O ATOM 934 CB ILE A 68 67.842 3.317 -10.321 1.00 0.00 C ATOM 935 CG1 ILE A 68 69.162 4.082 -10.163 1.00 0.00 C ATOM 936 CG2 ILE A 68 67.057 3.902 -11.496 1.00 0.00 C ATOM 937 CD1 ILE A 68 69.996 3.939 -11.438 1.00 0.00 C ATOM 0 H ILE A 68 68.746 2.684 -8.052 1.00 0.00 H new ATOM 0 HA ILE A 68 66.445 4.378 -9.021 1.00 0.00 H new ATOM 0 HB ILE A 68 68.054 2.264 -10.507 1.00 0.00 H new ATOM 0 HG12 ILE A 68 68.962 5.135 -9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 68 69.717 3.696 -9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 68 67.646 3.811 -12.409 1.00 0.00 H new ATOM 0 HG22 ILE A 68 66.119 3.359 -11.613 1.00 0.00 H new ATOM 0 HG23 ILE A 68 66.845 4.954 -11.305 1.00 0.00 H new ATOM 0 HD11 ILE A 68 70.933 4.484 -11.323 1.00 0.00 H new ATOM 0 HD12 ILE A 68 70.208 2.885 -11.618 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.441 4.346 -12.283 1.00 0.00 H new ATOM 949 N ILE A 69 65.052 2.241 -9.837 1.00 0.00 N ATOM 950 CA ILE A 69 64.036 1.148 -9.781 1.00 0.00 C ATOM 951 C ILE A 69 64.724 -0.195 -9.523 1.00 0.00 C ATOM 952 O ILE A 69 65.934 -0.294 -9.537 1.00 0.00 O ATOM 953 CB ILE A 69 63.364 1.155 -11.155 1.00 0.00 C ATOM 954 CG1 ILE A 69 64.429 0.985 -12.241 1.00 0.00 C ATOM 955 CG2 ILE A 69 62.637 2.485 -11.358 1.00 0.00 C ATOM 956 CD1 ILE A 69 63.965 -0.063 -13.255 1.00 0.00 C ATOM 0 H ILE A 69 64.941 2.898 -10.609 1.00 0.00 H new ATOM 0 HA ILE A 69 63.314 1.295 -8.978 1.00 0.00 H new ATOM 0 HB ILE A 69 62.647 0.336 -11.216 1.00 0.00 H new ATOM 0 HG12 ILE A 69 64.607 1.937 -12.742 1.00 0.00 H new ATOM 0 HG13 ILE A 69 65.374 0.679 -11.793 1.00 0.00 H new ATOM 0 HG21 ILE A 69 62.157 2.492 -12.337 1.00 0.00 H new ATOM 0 HG22 ILE A 69 61.881 2.608 -10.583 1.00 0.00 H new ATOM 0 HG23 ILE A 69 63.354 3.304 -11.299 1.00 0.00 H new ATOM 0 HD11 ILE A 69 64.724 -0.183 -14.028 1.00 0.00 H new ATOM 0 HD12 ILE A 69 63.809 -1.015 -12.748 1.00 0.00 H new ATOM 0 HD13 ILE A 69 63.030 0.262 -13.712 1.00 0.00 H new ATOM 968 N THR A 70 63.965 -1.230 -9.280 1.00 0.00 N ATOM 969 CA THR A 70 64.590 -2.558 -9.013 1.00 0.00 C ATOM 970 C THR A 70 63.900 -3.664 -9.823 1.00 0.00 C ATOM 971 O THR A 70 63.602 -3.501 -10.989 1.00 0.00 O ATOM 972 CB THR A 70 64.399 -2.784 -7.513 1.00 0.00 C ATOM 973 OG1 THR A 70 64.339 -1.528 -6.851 1.00 0.00 O ATOM 974 CG2 THR A 70 65.573 -3.597 -6.969 1.00 0.00 C ATOM 0 H THR A 70 62.945 -1.214 -9.255 1.00 0.00 H new ATOM 0 HA THR A 70 65.640 -2.581 -9.303 1.00 0.00 H new ATOM 0 HB THR A 70 63.471 -3.329 -7.339 1.00 0.00 H new ATOM 0 HG1 THR A 70 65.141 -1.410 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 70 65.439 -3.759 -5.900 1.00 0.00 H new ATOM 0 HG22 THR A 70 65.617 -4.559 -7.479 1.00 0.00 H new ATOM 0 HG23 THR A 70 66.502 -3.053 -7.140 1.00 0.00 H new ATOM 982 N GLY A 71 63.662 -4.795 -9.212 1.00 0.00 N ATOM 983 CA GLY A 71 63.012 -5.925 -9.934 1.00 0.00 C ATOM 984 C GLY A 71 63.885 -7.168 -9.760 1.00 0.00 C ATOM 985 O GLY A 71 64.141 -7.899 -10.695 1.00 0.00 O ATOM 0 H GLY A 71 63.892 -4.984 -8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 71 62.012 -6.104 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 71 62.898 -5.685 -10.991 1.00 0.00 H new ATOM 989 N GLY A 72 64.358 -7.397 -8.566 1.00 0.00 N ATOM 990 CA GLY A 72 65.234 -8.575 -8.317 1.00 0.00 C ATOM 991 C GLY A 72 66.690 -8.109 -8.327 1.00 0.00 C ATOM 992 O GLY A 72 67.458 -8.445 -9.207 1.00 0.00 O ATOM 0 H GLY A 72 64.174 -6.815 -7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 72 64.990 -9.033 -7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 72 65.074 -9.334 -9.083 1.00 0.00 H new ATOM 1091 N LYS A 81 73.675 1.985 -2.894 1.00 0.00 N ATOM 1092 CA LYS A 81 74.415 1.796 -1.614 1.00 0.00 C ATOM 1093 C LYS A 81 73.512 1.084 -0.606 1.00 0.00 C ATOM 1094 O LYS A 81 72.506 1.614 -0.180 1.00 0.00 O ATOM 1095 CB LYS A 81 74.755 3.208 -1.131 1.00 0.00 C ATOM 1096 CG LYS A 81 75.226 4.060 -2.314 1.00 0.00 C ATOM 1097 CD LYS A 81 76.487 3.441 -2.924 1.00 0.00 C ATOM 1098 CE LYS A 81 76.503 3.695 -4.435 1.00 0.00 C ATOM 1099 NZ LYS A 81 77.184 5.010 -4.597 1.00 0.00 N ATOM 0 HA LYS A 81 75.313 1.190 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 81 73.880 3.664 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 81 75.533 3.164 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 81 74.439 4.123 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 81 75.432 5.078 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 81 77.376 3.872 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 81 76.512 2.370 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 81 77.038 2.906 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 81 75.492 3.721 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 77.233 5.253 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 76.648 5.743 -4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 78.146 4.953 -4.207 1.00 0.00 H new ATOM 1113 N ILE A 82 73.850 -0.119 -0.232 1.00 0.00 N ATOM 1114 CA ILE A 82 72.993 -0.859 0.735 1.00 0.00 C ATOM 1115 C ILE A 82 73.856 -1.639 1.730 1.00 0.00 C ATOM 1116 O ILE A 82 74.930 -2.105 1.406 1.00 0.00 O ATOM 1117 CB ILE A 82 72.169 -1.816 -0.129 1.00 0.00 C ATOM 1118 CG1 ILE A 82 71.088 -2.471 0.730 1.00 0.00 C ATOM 1119 CG2 ILE A 82 73.084 -2.895 -0.708 1.00 0.00 C ATOM 1120 CD1 ILE A 82 69.808 -1.635 0.669 1.00 0.00 C ATOM 0 H ILE A 82 74.679 -0.620 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 82 72.365 -0.192 1.325 1.00 0.00 H new ATOM 0 HB ILE A 82 71.701 -1.262 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 82 70.891 -3.483 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 82 71.430 -2.556 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 82 72.498 -3.577 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 82 73.856 -2.428 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 82 73.551 -3.451 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 82 69.038 -2.103 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 82 70.010 -0.632 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 82 69.463 -1.573 -0.363 1.00 0.00 H new ATOM 1132 N SER A 83 73.390 -1.787 2.941 1.00 0.00 N ATOM 1133 CA SER A 83 74.182 -2.538 3.957 1.00 0.00 C ATOM 1134 C SER A 83 73.248 -3.312 4.892 1.00 0.00 C ATOM 1135 O SER A 83 72.519 -2.737 5.675 1.00 0.00 O ATOM 1136 CB SER A 83 74.953 -1.468 4.729 1.00 0.00 C ATOM 1137 OG SER A 83 76.013 -0.978 3.919 1.00 0.00 O ATOM 0 H SER A 83 72.497 -1.421 3.270 1.00 0.00 H new ATOM 0 HA SER A 83 74.849 -3.270 3.502 1.00 0.00 H new ATOM 0 HB2 SER A 83 74.286 -0.652 5.008 1.00 0.00 H new ATOM 0 HB3 SER A 83 75.350 -1.886 5.654 1.00 0.00 H new ATOM 0 HG SER A 83 76.509 -0.290 4.410 1.00 0.00 H new ATOM 1143 N GLY A 84 73.265 -4.616 4.813 1.00 0.00 N ATOM 1144 CA GLY A 84 72.381 -5.429 5.696 1.00 0.00 C ATOM 1145 C GLY A 84 70.948 -5.390 5.160 1.00 0.00 C ATOM 1146 O GLY A 84 70.029 -4.994 5.849 1.00 0.00 O ATOM 0 H GLY A 84 73.853 -5.153 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 84 72.737 -6.458 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 84 72.410 -5.041 6.714 1.00 0.00 H new ATOM 1150 N CYS A 85 70.750 -5.790 3.934 1.00 0.00 N ATOM 1151 CA CYS A 85 69.374 -5.767 3.359 1.00 0.00 C ATOM 1152 C CYS A 85 69.118 -7.029 2.532 1.00 0.00 C ATOM 1153 O CYS A 85 70.030 -7.634 2.007 1.00 0.00 O ATOM 1154 CB CYS A 85 69.349 -4.529 2.465 1.00 0.00 C ATOM 1155 SG CYS A 85 69.732 -3.066 3.458 1.00 0.00 S ATOM 0 H CYS A 85 71.479 -6.131 3.307 1.00 0.00 H new ATOM 0 HA CYS A 85 68.604 -5.736 4.130 1.00 0.00 H new ATOM 0 HB2 CYS A 85 70.074 -4.635 1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.369 -4.421 2.001 1.00 0.00 H new ATOM 1160 N THR A 86 67.880 -7.421 2.406 1.00 0.00 N ATOM 1161 CA THR A 86 67.562 -8.636 1.601 1.00 0.00 C ATOM 1162 C THR A 86 66.948 -8.217 0.267 1.00 0.00 C ATOM 1163 O THR A 86 66.421 -7.132 0.135 1.00 0.00 O ATOM 1164 CB THR A 86 66.547 -9.420 2.436 1.00 0.00 C ATOM 1165 OG1 THR A 86 65.956 -8.554 3.397 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.251 -10.576 3.149 1.00 0.00 C ATOM 0 H THR A 86 67.076 -6.954 2.825 1.00 0.00 H new ATOM 0 HA THR A 86 68.446 -9.234 1.381 1.00 0.00 H new ATOM 0 HB THR A 86 65.772 -9.820 1.783 1.00 0.00 H new ATOM 0 HG1 THR A 86 66.217 -8.839 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 86 66.526 -11.133 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 86 67.701 -11.239 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 86 68.029 -10.181 3.803 1.00 0.00 H new ATOM 1174 N PHE A 87 67.011 -9.060 -0.725 1.00 0.00 N ATOM 1175 CA PHE A 87 66.423 -8.687 -2.043 1.00 0.00 C ATOM 1176 C PHE A 87 65.802 -9.911 -2.721 1.00 0.00 C ATOM 1177 O PHE A 87 66.273 -11.022 -2.581 1.00 0.00 O ATOM 1178 CB PHE A 87 67.596 -8.152 -2.866 1.00 0.00 C ATOM 1179 CG PHE A 87 67.996 -6.791 -2.347 1.00 0.00 C ATOM 1180 CD1 PHE A 87 67.056 -5.754 -2.297 1.00 0.00 C ATOM 1181 CD2 PHE A 87 69.309 -6.566 -1.916 1.00 0.00 C ATOM 1182 CE1 PHE A 87 67.429 -4.493 -1.815 1.00 0.00 C ATOM 1183 CE2 PHE A 87 69.682 -5.305 -1.434 1.00 0.00 C ATOM 1184 CZ PHE A 87 68.742 -4.269 -1.384 1.00 0.00 C ATOM 0 H PHE A 87 67.440 -9.984 -0.682 1.00 0.00 H new ATOM 0 HA PHE A 87 65.627 -7.950 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 87 68.440 -8.839 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.316 -8.084 -3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 87 66.043 -5.927 -2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.034 -7.365 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 87 66.704 -3.694 -1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 87 70.695 -5.132 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 87 69.030 -3.296 -1.013 1.00 0.00 H new ATOM 1194 N SER A 88 64.743 -9.707 -3.454 1.00 0.00 N ATOM 1195 CA SER A 88 64.075 -10.844 -4.148 1.00 0.00 C ATOM 1196 C SER A 88 62.787 -10.350 -4.809 1.00 0.00 C ATOM 1197 O SER A 88 61.891 -9.875 -4.144 1.00 0.00 O ATOM 1198 CB SER A 88 63.763 -11.855 -3.045 1.00 0.00 C ATOM 1199 OG SER A 88 63.775 -11.196 -1.785 1.00 0.00 O ATOM 0 H SER A 88 64.309 -8.796 -3.603 1.00 0.00 H new ATOM 0 HA SER A 88 64.694 -11.284 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 88 62.789 -12.312 -3.220 1.00 0.00 H new ATOM 0 HB3 SER A 88 64.499 -12.659 -3.055 1.00 0.00 H new ATOM 0 HG SER A 88 63.574 -11.842 -1.076 1.00 0.00 H new ATOM 1205 N ALA A 89 62.699 -10.443 -6.112 1.00 0.00 N ATOM 1206 CA ALA A 89 61.477 -9.967 -6.831 1.00 0.00 C ATOM 1207 C ALA A 89 60.223 -10.197 -5.983 1.00 0.00 C ATOM 1208 O ALA A 89 59.952 -11.295 -5.539 1.00 0.00 O ATOM 1209 CB ALA A 89 61.419 -10.796 -8.112 1.00 0.00 C ATOM 0 H ALA A 89 63.426 -10.831 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 89 61.519 -8.898 -7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 89 60.546 -10.504 -8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 89 62.322 -10.623 -8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 89 61.348 -11.854 -7.858 1.00 0.00 H new ATOM 1215 N ASN A 90 59.462 -9.163 -5.751 1.00 0.00 N ATOM 1216 CA ASN A 90 58.230 -9.311 -4.928 1.00 0.00 C ATOM 1217 C ASN A 90 57.037 -9.666 -5.819 1.00 0.00 C ATOM 1218 O ASN A 90 57.099 -9.376 -7.002 1.00 0.00 O ATOM 1219 CB ASN A 90 58.028 -7.941 -4.272 1.00 0.00 C ATOM 1220 CG ASN A 90 56.604 -7.845 -3.725 1.00 0.00 C ATOM 1221 OD1 ASN A 90 56.133 -8.747 -3.061 1.00 0.00 O ATOM 1222 ND2 ASN A 90 55.892 -6.781 -3.976 1.00 0.00 N ATOM 1223 OXT ASN A 90 56.084 -10.227 -5.303 1.00 0.00 O ATOM 0 H ASN A 90 59.641 -8.220 -6.097 1.00 0.00 H new ATOM 0 HA ASN A 90 58.318 -10.107 -4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 90 58.749 -7.801 -3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 90 58.204 -7.148 -4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 90 54.941 -6.707 -3.615 1.00 0.00 H new ATOM 0 HD22 ASN A 90 56.286 -6.023 -4.533 1.00 0.00 H new