USER MOD reduce.3.24.130724 H: found=0, std=0, add=237, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 227 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 HIS : no HE2:sc= -12! C(o=-23!,f=-24!) USER MOD Set 1.2: A 9 CYS SG : rot 170:sc= 0.77 USER MOD Set 1.3: A 14 CYS SG : rot 180:sc= 0.00471 USER MOD Set 1.4: A 20 CYS SG : rot -26:sc= -1.67! USER MOD Set 1.5: A 24 CYS SG : rot 19:sc= -3.61! USER MOD Set 1.6: A 26 CYS SG : rot -172:sc= 0.915 USER MOD Set 1.7: A 30 CYS SG : rot 180:sc= -4.51! USER MOD Set 1.8: A 36 CYS SG : rot 180:sc= -2.7! USER MOD Set 2.1: A 7 CYS SG : rot 80:sc= -4.13! USER MOD Set 2.2: A 21 GLN : amide:sc= -2.12! C(o=-6.2!,f=-8.1!) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 8 GLN : amide:sc= -2.64 K(o=-2.6,f=-6.1!) USER MOD Single : A 10 GLN : amide:sc= -0.0479 K(o=-0.048,f=-2.4!) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.13 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc=-0.00433 X(o=-0.0043,f=-0.32) USER MOD Single : A 17 ASN : amide:sc= -0.657 K(o=-0.66,f=-3.8!) USER MOD Single : A 19 GLN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.306) USER MOD Single : A 23 SER OG : rot 32:sc= 0.723 USER MOD Single : A 25 SER OG : rot 18:sc= 0.75! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.88 X(o=-1.9,f=-2.1!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.117 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 74:sc= -1.04 USER MOD Single : A 40 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -0.308 11.524 -2.825 1.00 0.00 N ATOM 21 CA ASN A 2 -0.035 11.430 -1.362 1.00 0.00 C ATOM 22 C ASN A 2 0.717 10.138 -1.037 1.00 0.00 C ATOM 23 O ASN A 2 0.708 9.672 0.085 1.00 0.00 O ATOM 24 CB ASN A 2 -1.415 11.427 -0.703 1.00 0.00 C ATOM 25 CG ASN A 2 -1.973 12.851 -0.677 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.349 13.771 -1.166 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.134 13.073 -0.123 1.00 0.00 N ATOM 0 HA ASN A 2 0.588 12.252 -1.008 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.090 10.771 -1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.344 11.035 0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.516 14.018 -0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.659 12.301 0.288 1.00 0.00 H new ATOM 34 N GLU A 3 1.370 9.552 -2.004 1.00 0.00 N ATOM 35 CA GLU A 3 2.119 8.291 -1.729 1.00 0.00 C ATOM 36 C GLU A 3 3.560 8.610 -1.368 1.00 0.00 C ATOM 37 O GLU A 3 4.477 7.871 -1.666 1.00 0.00 O ATOM 38 CB GLU A 3 2.065 7.490 -3.028 1.00 0.00 C ATOM 39 CG GLU A 3 2.954 8.164 -4.075 1.00 0.00 C ATOM 40 CD GLU A 3 2.148 8.402 -5.355 1.00 0.00 C ATOM 41 OE1 GLU A 3 1.320 7.564 -5.675 1.00 0.00 O ATOM 42 OE2 GLU A 3 2.372 9.418 -5.991 1.00 0.00 O ATOM 0 H GLU A 3 1.418 9.888 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 3 1.689 7.736 -0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.401 6.468 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.038 7.431 -3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.333 9.111 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.820 7.538 -4.289 1.00 0.00 H new ATOM 49 N GLY A 4 3.747 9.688 -0.692 1.00 0.00 N ATOM 50 CA GLY A 4 5.112 10.071 -0.247 1.00 0.00 C ATOM 51 C GLY A 4 5.236 9.580 1.184 1.00 0.00 C ATOM 52 O GLY A 4 5.648 10.293 2.077 1.00 0.00 O ATOM 0 H GLY A 4 3.008 10.336 -0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.872 9.617 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.253 11.150 -0.303 1.00 0.00 H new ATOM 56 N HIS A 5 4.813 8.370 1.404 1.00 0.00 N ATOM 57 CA HIS A 5 4.818 7.807 2.775 1.00 0.00 C ATOM 58 C HIS A 5 5.460 6.423 2.818 1.00 0.00 C ATOM 59 O HIS A 5 5.962 5.917 1.834 1.00 0.00 O ATOM 60 CB HIS A 5 3.322 7.683 3.090 1.00 0.00 C ATOM 61 CG HIS A 5 2.643 6.692 2.140 1.00 0.00 C ATOM 62 ND1 HIS A 5 3.336 5.909 1.219 1.00 0.00 N ATOM 63 CD2 HIS A 5 1.327 6.306 2.006 1.00 0.00 C ATOM 64 CE1 HIS A 5 2.445 5.102 0.618 1.00 0.00 C ATOM 65 NE2 HIS A 5 1.214 5.305 1.058 1.00 0.00 N ATOM 0 H HIS A 5 4.460 7.741 0.683 1.00 0.00 H new ATOM 0 HA HIS A 5 5.383 8.422 3.475 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.190 7.354 4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.846 8.660 3.004 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.339 5.942 1.034 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.501 6.725 2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.704 4.373 -0.136 1.00 0.00 H new ATOM 73 N GLU A 6 5.388 5.780 3.941 1.00 0.00 N ATOM 74 CA GLU A 6 5.901 4.396 4.014 1.00 0.00 C ATOM 75 C GLU A 6 4.712 3.500 3.708 1.00 0.00 C ATOM 76 O GLU A 6 3.654 3.665 4.284 1.00 0.00 O ATOM 77 CB GLU A 6 6.387 4.182 5.440 1.00 0.00 C ATOM 78 CG GLU A 6 7.676 4.972 5.661 1.00 0.00 C ATOM 79 CD GLU A 6 8.026 4.977 7.150 1.00 0.00 C ATOM 80 OE1 GLU A 6 7.180 5.368 7.936 1.00 0.00 O ATOM 81 OE2 GLU A 6 9.135 4.588 7.479 1.00 0.00 O ATOM 0 H GLU A 6 4.998 6.151 4.807 1.00 0.00 H new ATOM 0 HA GLU A 6 6.717 4.188 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.624 4.505 6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.562 3.121 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.490 4.528 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.554 5.994 5.302 1.00 0.00 H new ATOM 88 N CYS A 7 4.839 2.578 2.811 1.00 0.00 N ATOM 89 CA CYS A 7 3.659 1.722 2.502 1.00 0.00 C ATOM 90 C CYS A 7 3.044 1.246 3.820 1.00 0.00 C ATOM 91 O CYS A 7 3.659 0.528 4.581 1.00 0.00 O ATOM 92 CB CYS A 7 4.193 0.566 1.661 1.00 0.00 C ATOM 93 SG CYS A 7 3.006 -0.798 1.677 1.00 0.00 S ATOM 0 H CYS A 7 5.688 2.376 2.283 1.00 0.00 H new ATOM 0 HA CYS A 7 2.875 2.245 1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.366 0.898 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.153 0.230 2.054 1.00 0.00 H new ATOM 0 HG CYS A 7 2.050 -0.551 0.832 1.00 0.00 H new ATOM 98 N GLN A 8 1.846 1.680 4.113 1.00 0.00 N ATOM 99 CA GLN A 8 1.211 1.294 5.401 1.00 0.00 C ATOM 100 C GLN A 8 0.051 0.328 5.170 1.00 0.00 C ATOM 101 O GLN A 8 -0.901 0.291 5.924 1.00 0.00 O ATOM 102 CB GLN A 8 0.708 2.616 5.975 1.00 0.00 C ATOM 103 CG GLN A 8 -0.128 2.346 7.223 1.00 0.00 C ATOM 104 CD GLN A 8 0.116 3.452 8.252 1.00 0.00 C ATOM 105 OE1 GLN A 8 -0.804 4.132 8.660 1.00 0.00 O ATOM 106 NE2 GLN A 8 1.326 3.663 8.692 1.00 0.00 N ATOM 0 H GLN A 8 1.283 2.284 3.515 1.00 0.00 H new ATOM 0 HA GLN A 8 1.901 0.780 6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.551 3.261 6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.110 3.143 5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.186 2.304 6.963 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.135 1.377 7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.100 3.093 8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.498 4.398 9.378 1.00 0.00 H new ATOM 115 N CYS A 9 0.121 -0.461 4.142 1.00 0.00 N ATOM 116 CA CYS A 9 -0.969 -1.423 3.875 1.00 0.00 C ATOM 117 C CYS A 9 -0.857 -2.603 4.843 1.00 0.00 C ATOM 118 O CYS A 9 0.213 -3.139 5.052 1.00 0.00 O ATOM 119 CB CYS A 9 -0.690 -1.866 2.451 1.00 0.00 C ATOM 120 SG CYS A 9 -1.144 -0.554 1.298 1.00 0.00 S ATOM 0 H CYS A 9 0.891 -0.480 3.473 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.969 -1.008 4.001 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.366 -2.112 2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.254 -2.771 2.226 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.709 -0.851 0.110 1.00 0.00 H new ATOM 125 N GLN A 10 -1.941 -3.019 5.432 1.00 0.00 N ATOM 126 CA GLN A 10 -1.867 -4.169 6.376 1.00 0.00 C ATOM 127 C GLN A 10 -2.066 -5.471 5.603 1.00 0.00 C ATOM 128 O GLN A 10 -2.344 -6.511 6.166 1.00 0.00 O ATOM 129 CB GLN A 10 -3.006 -3.949 7.372 1.00 0.00 C ATOM 130 CG GLN A 10 -2.692 -2.735 8.249 1.00 0.00 C ATOM 131 CD GLN A 10 -1.755 -3.153 9.384 1.00 0.00 C ATOM 132 OE1 GLN A 10 -1.236 -4.252 9.386 1.00 0.00 O ATOM 133 NE2 GLN A 10 -1.515 -2.316 10.356 1.00 0.00 N ATOM 0 H GLN A 10 -2.869 -2.617 5.303 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.905 -4.235 6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.944 -3.793 6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.136 -4.835 7.993 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.228 -1.951 7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.613 -2.321 8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.951 -1.394 10.354 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.892 -2.584 11.118 1.00 0.00 H new ATOM 142 N CYS A 11 -1.924 -5.408 4.308 1.00 0.00 N ATOM 143 CA CYS A 11 -2.092 -6.598 3.464 1.00 0.00 C ATOM 144 C CYS A 11 -0.888 -7.528 3.607 1.00 0.00 C ATOM 145 O CYS A 11 -0.088 -7.399 4.513 1.00 0.00 O ATOM 146 CB CYS A 11 -2.145 -6.009 2.062 1.00 0.00 C ATOM 147 SG CYS A 11 -3.353 -4.660 1.999 1.00 0.00 S ATOM 0 H CYS A 11 -1.693 -4.555 3.798 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.969 -7.193 3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.160 -5.639 1.777 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.415 -6.783 1.344 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.387 -4.164 0.798 1.00 0.00 H new ATOM 152 N GLY A 12 -0.751 -8.453 2.707 1.00 0.00 N ATOM 153 CA GLY A 12 0.402 -9.393 2.762 1.00 0.00 C ATOM 154 C GLY A 12 1.365 -9.064 1.623 1.00 0.00 C ATOM 155 O GLY A 12 2.525 -9.422 1.652 1.00 0.00 O ATOM 0 H GLY A 12 -1.392 -8.602 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.911 -9.309 3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.054 -10.422 2.675 1.00 0.00 H new ATOM 159 N SER A 13 0.891 -8.374 0.621 1.00 0.00 N ATOM 160 CA SER A 13 1.777 -8.010 -0.520 1.00 0.00 C ATOM 161 C SER A 13 2.461 -6.672 -0.235 1.00 0.00 C ATOM 162 O SER A 13 3.589 -6.445 -0.619 1.00 0.00 O ATOM 163 CB SER A 13 0.851 -7.895 -1.729 1.00 0.00 C ATOM 164 OG SER A 13 1.505 -8.428 -2.872 1.00 0.00 O ATOM 0 H SER A 13 -0.072 -8.047 0.544 1.00 0.00 H new ATOM 0 HA SER A 13 2.563 -8.746 -0.687 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.078 -8.434 -1.543 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.586 -6.852 -1.901 1.00 0.00 H new ATOM 0 HG SER A 13 0.913 -8.358 -3.650 1.00 0.00 H new ATOM 170 N CYS A 14 1.786 -5.781 0.436 1.00 0.00 N ATOM 171 CA CYS A 14 2.378 -4.474 0.745 1.00 0.00 C ATOM 172 C CYS A 14 3.122 -4.556 2.075 1.00 0.00 C ATOM 173 O CYS A 14 4.318 -4.355 2.150 1.00 0.00 O ATOM 174 CB CYS A 14 1.163 -3.559 0.847 1.00 0.00 C ATOM 175 SG CYS A 14 0.072 -3.824 -0.584 1.00 0.00 S ATOM 0 H CYS A 14 0.836 -5.916 0.783 1.00 0.00 H new ATOM 0 HA CYS A 14 3.101 -4.125 0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.621 -3.760 1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.482 -2.518 0.885 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.963 -3.043 -0.491 1.00 0.00 H new ATOM 180 N LYS A 15 2.415 -4.858 3.118 1.00 0.00 N ATOM 181 CA LYS A 15 3.053 -4.970 4.460 1.00 0.00 C ATOM 182 C LYS A 15 4.434 -5.645 4.360 1.00 0.00 C ATOM 183 O LYS A 15 5.301 -5.417 5.181 1.00 0.00 O ATOM 184 CB LYS A 15 2.060 -5.812 5.289 1.00 0.00 C ATOM 185 CG LYS A 15 2.398 -7.313 5.227 1.00 0.00 C ATOM 186 CD LYS A 15 1.773 -8.023 6.431 1.00 0.00 C ATOM 187 CE LYS A 15 2.883 -8.512 7.367 1.00 0.00 C ATOM 188 NZ LYS A 15 2.201 -8.847 8.652 1.00 0.00 N ATOM 0 H LYS A 15 1.411 -5.035 3.104 1.00 0.00 H new ATOM 0 HA LYS A 15 3.240 -3.999 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.076 -5.478 6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.048 -5.651 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.021 -7.744 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.479 -7.454 5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.107 -7.343 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.167 -8.865 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.390 -9.383 6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.640 -7.742 7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.903 -9.189 9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.733 -7.998 9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.491 -9.588 8.485 1.00 0.00 H new ATOM 202 N ASN A 16 4.643 -6.484 3.377 1.00 0.00 N ATOM 203 CA ASN A 16 5.966 -7.173 3.260 1.00 0.00 C ATOM 204 C ASN A 16 6.638 -6.874 1.912 1.00 0.00 C ATOM 205 O ASN A 16 7.657 -6.213 1.854 1.00 0.00 O ATOM 206 CB ASN A 16 5.644 -8.664 3.376 1.00 0.00 C ATOM 207 CG ASN A 16 6.653 -9.333 4.312 1.00 0.00 C ATOM 208 OD1 ASN A 16 7.824 -9.010 4.294 1.00 0.00 O ATOM 209 ND2 ASN A 16 6.246 -10.261 5.135 1.00 0.00 N ATOM 0 H ASN A 16 3.962 -6.721 2.656 1.00 0.00 H new ATOM 0 HA ASN A 16 6.662 -6.834 4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.632 -8.800 3.758 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.679 -9.132 2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.911 -10.714 5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.263 -10.533 5.151 1.00 0.00 H new ATOM 216 N ASN A 17 6.091 -7.363 0.831 1.00 0.00 N ATOM 217 CA ASN A 17 6.722 -7.109 -0.500 1.00 0.00 C ATOM 218 C ASN A 17 7.030 -5.624 -0.666 1.00 0.00 C ATOM 219 O ASN A 17 6.150 -4.809 -0.853 1.00 0.00 O ATOM 220 CB ASN A 17 5.688 -7.565 -1.529 1.00 0.00 C ATOM 221 CG ASN A 17 6.347 -8.509 -2.536 1.00 0.00 C ATOM 222 OD1 ASN A 17 7.023 -8.070 -3.445 1.00 0.00 O ATOM 223 ND2 ASN A 17 6.179 -9.797 -2.414 1.00 0.00 N ATOM 0 H ASN A 17 5.240 -7.924 0.810 1.00 0.00 H new ATOM 0 HA ASN A 17 7.667 -7.641 -0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.861 -8.070 -1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.269 -6.701 -2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.615 -10.434 -3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.612 -10.167 -1.651 1.00 0.00 H new ATOM 230 N GLU A 18 8.285 -5.275 -0.604 1.00 0.00 N ATOM 231 CA GLU A 18 8.674 -3.849 -0.763 1.00 0.00 C ATOM 232 C GLU A 18 8.655 -3.465 -2.240 1.00 0.00 C ATOM 233 O GLU A 18 9.028 -2.370 -2.612 1.00 0.00 O ATOM 234 CB GLU A 18 10.092 -3.761 -0.202 1.00 0.00 C ATOM 235 CG GLU A 18 10.031 -3.595 1.318 1.00 0.00 C ATOM 236 CD GLU A 18 11.307 -2.908 1.808 1.00 0.00 C ATOM 237 OE1 GLU A 18 11.772 -2.010 1.125 1.00 0.00 O ATOM 238 OE2 GLU A 18 11.797 -3.290 2.857 1.00 0.00 O ATOM 0 H GLU A 18 9.060 -5.920 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 18 7.992 -3.172 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.652 -4.660 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.620 -2.919 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.158 -3.004 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.922 -4.568 1.797 1.00 0.00 H new ATOM 245 N GLN A 19 8.221 -4.357 -3.084 1.00 0.00 N ATOM 246 CA GLN A 19 8.178 -4.030 -4.539 1.00 0.00 C ATOM 247 C GLN A 19 7.116 -2.971 -4.793 1.00 0.00 C ATOM 248 O GLN A 19 7.179 -2.201 -5.730 1.00 0.00 O ATOM 249 CB GLN A 19 7.827 -5.343 -5.242 1.00 0.00 C ATOM 250 CG GLN A 19 9.000 -5.783 -6.120 1.00 0.00 C ATOM 251 CD GLN A 19 8.476 -6.237 -7.483 1.00 0.00 C ATOM 252 OE1 GLN A 19 8.929 -5.769 -8.509 1.00 0.00 O ATOM 253 NE2 GLN A 19 7.531 -7.135 -7.539 1.00 0.00 N ATOM 0 H GLN A 19 7.896 -5.291 -2.835 1.00 0.00 H new ATOM 0 HA GLN A 19 9.123 -3.629 -4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.602 -6.114 -4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.932 -5.214 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.703 -4.960 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.543 -6.596 -5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.150 -7.529 -6.679 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.173 -7.443 -8.443 1.00 0.00 H new ATOM 262 N CYS A 20 6.149 -2.944 -3.946 1.00 0.00 N ATOM 263 CA CYS A 20 5.043 -1.961 -4.064 1.00 0.00 C ATOM 264 C CYS A 20 5.140 -0.923 -2.947 1.00 0.00 C ATOM 265 O CYS A 20 4.291 -0.064 -2.806 1.00 0.00 O ATOM 266 CB CYS A 20 3.789 -2.811 -3.925 1.00 0.00 C ATOM 267 SG CYS A 20 3.810 -3.665 -2.332 1.00 0.00 S ATOM 0 H CYS A 20 6.069 -3.577 -3.150 1.00 0.00 H new ATOM 0 HA CYS A 20 5.059 -1.400 -4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.901 -2.183 -4.001 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.737 -3.536 -4.737 1.00 0.00 H new ATOM 0 HG CYS A 20 5.039 -3.819 -1.939 1.00 0.00 H new ATOM 272 N GLN A 21 6.190 -0.972 -2.176 1.00 0.00 N ATOM 273 CA GLN A 21 6.371 0.034 -1.094 1.00 0.00 C ATOM 274 C GLN A 21 7.131 1.232 -1.669 1.00 0.00 C ATOM 275 O GLN A 21 7.874 1.903 -0.980 1.00 0.00 O ATOM 276 CB GLN A 21 7.212 -0.676 -0.032 1.00 0.00 C ATOM 277 CG GLN A 21 6.314 -1.582 0.813 1.00 0.00 C ATOM 278 CD GLN A 21 6.754 -1.508 2.276 1.00 0.00 C ATOM 279 OE1 GLN A 21 7.877 -1.148 2.567 1.00 0.00 O ATOM 280 NE2 GLN A 21 5.910 -1.835 3.216 1.00 0.00 N ATOM 0 H GLN A 21 6.932 -1.668 -2.249 1.00 0.00 H new ATOM 0 HA GLN A 21 5.431 0.397 -0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.995 -1.266 -0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.707 0.057 0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.273 -1.272 0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.375 -2.610 0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.967 -2.137 2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.193 -1.788 4.195 1.00 0.00 H new ATOM 289 N LYS A 22 6.969 1.482 -2.944 1.00 0.00 N ATOM 290 CA LYS A 22 7.696 2.607 -3.594 1.00 0.00 C ATOM 291 C LYS A 22 6.903 3.897 -3.553 1.00 0.00 C ATOM 292 O LYS A 22 7.358 4.909 -3.058 1.00 0.00 O ATOM 293 CB LYS A 22 7.904 2.156 -5.038 1.00 0.00 C ATOM 294 CG LYS A 22 9.283 1.510 -5.176 1.00 0.00 C ATOM 295 CD LYS A 22 9.401 0.846 -6.548 1.00 0.00 C ATOM 296 CE LYS A 22 10.383 1.638 -7.412 1.00 0.00 C ATOM 297 NZ LYS A 22 9.661 2.894 -7.757 1.00 0.00 N ATOM 0 H LYS A 22 6.359 0.949 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 22 8.632 2.820 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.128 1.446 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.821 3.008 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.062 2.263 -5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.430 0.771 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.744 -0.183 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.424 0.807 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.305 1.848 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.659 1.082 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.178 3.397 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.704 2.663 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.597 3.500 -6.914 1.00 0.00 H new ATOM 311 N SER A 23 5.742 3.876 -4.093 1.00 0.00 N ATOM 312 CA SER A 23 4.928 5.133 -4.113 1.00 0.00 C ATOM 313 C SER A 23 3.419 4.874 -4.188 1.00 0.00 C ATOM 314 O SER A 23 2.738 5.395 -5.050 1.00 0.00 O ATOM 315 CB SER A 23 5.399 5.879 -5.359 1.00 0.00 C ATOM 316 OG SER A 23 6.478 6.737 -5.015 1.00 0.00 O ATOM 0 H SER A 23 5.306 3.060 -4.523 1.00 0.00 H new ATOM 0 HA SER A 23 5.071 5.696 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.714 5.169 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.578 6.459 -5.781 1.00 0.00 H new ATOM 0 HG SER A 23 6.995 6.336 -4.285 1.00 0.00 H new ATOM 322 N CYS A 24 2.883 4.111 -3.281 1.00 0.00 N ATOM 323 CA CYS A 24 1.430 3.857 -3.278 1.00 0.00 C ATOM 324 C CYS A 24 0.734 4.975 -2.496 1.00 0.00 C ATOM 325 O CYS A 24 1.084 5.277 -1.386 1.00 0.00 O ATOM 326 CB CYS A 24 1.346 2.486 -2.618 1.00 0.00 C ATOM 327 SG CYS A 24 1.174 2.603 -0.827 1.00 0.00 S ATOM 0 H CYS A 24 3.402 3.649 -2.534 1.00 0.00 H new ATOM 0 HA CYS A 24 0.939 3.854 -4.251 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.497 1.938 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.241 1.913 -2.859 1.00 0.00 H new ATOM 0 HG CYS A 24 0.764 3.794 -0.507 1.00 0.00 H new ATOM 332 N SER A 25 -0.221 5.628 -3.088 1.00 0.00 N ATOM 333 CA SER A 25 -0.894 6.763 -2.378 1.00 0.00 C ATOM 334 C SER A 25 -1.781 6.288 -1.235 1.00 0.00 C ATOM 335 O SER A 25 -2.558 7.050 -0.695 1.00 0.00 O ATOM 336 CB SER A 25 -1.725 7.467 -3.448 1.00 0.00 C ATOM 337 OG SER A 25 -2.791 8.172 -2.826 1.00 0.00 O ATOM 0 H SER A 25 -0.568 5.432 -4.027 1.00 0.00 H new ATOM 0 HA SER A 25 -0.159 7.423 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.100 8.156 -4.015 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.120 6.738 -4.156 1.00 0.00 H new ATOM 0 HG SER A 25 -2.598 8.281 -1.871 1.00 0.00 H new ATOM 343 N CYS A 26 -1.668 5.062 -0.829 1.00 0.00 N ATOM 344 CA CYS A 26 -2.492 4.606 0.295 1.00 0.00 C ATOM 345 C CYS A 26 -2.304 5.551 1.479 1.00 0.00 C ATOM 346 O CYS A 26 -1.226 5.638 2.033 1.00 0.00 O ATOM 347 CB CYS A 26 -1.918 3.242 0.608 1.00 0.00 C ATOM 348 SG CYS A 26 -2.636 2.023 -0.521 1.00 0.00 S ATOM 0 H CYS A 26 -1.041 4.364 -1.229 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.560 4.578 0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.833 3.258 0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.135 2.971 1.641 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.281 0.828 -0.152 1.00 0.00 H new ATOM 353 N PRO A 27 -3.357 6.225 1.838 1.00 0.00 N ATOM 354 CA PRO A 27 -3.291 7.164 2.981 1.00 0.00 C ATOM 355 C PRO A 27 -3.043 6.378 4.246 1.00 0.00 C ATOM 356 O PRO A 27 -3.957 5.818 4.790 1.00 0.00 O ATOM 357 CB PRO A 27 -4.667 7.824 2.984 1.00 0.00 C ATOM 358 CG PRO A 27 -5.553 6.848 2.281 1.00 0.00 C ATOM 359 CD PRO A 27 -4.695 6.175 1.243 1.00 0.00 C ATOM 0 HA PRO A 27 -2.492 7.902 2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.014 8.014 4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.647 8.784 2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.962 6.119 2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.400 7.354 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.016 5.150 1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.732 6.699 0.288 1.00 0.00 H new ATOM 367 N THR A 28 -1.789 6.329 4.660 1.00 0.00 N ATOM 368 CA THR A 28 -1.346 5.544 5.858 1.00 0.00 C ATOM 369 C THR A 28 -2.455 5.379 6.865 1.00 0.00 C ATOM 370 O THR A 28 -2.483 5.913 7.955 1.00 0.00 O ATOM 371 CB THR A 28 -0.162 6.310 6.435 1.00 0.00 C ATOM 372 OG1 THR A 28 -0.465 7.699 6.461 1.00 0.00 O ATOM 373 CG2 THR A 28 1.058 6.062 5.550 1.00 0.00 C ATOM 0 H THR A 28 -1.029 6.824 4.193 1.00 0.00 H new ATOM 0 HA THR A 28 -1.064 4.528 5.583 1.00 0.00 H new ATOM 0 HB THR A 28 0.045 5.973 7.451 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.295 8.193 6.834 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.914 6.604 5.951 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.281 4.995 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.850 6.409 4.538 1.00 0.00 H new ATOM 381 N GLY A 29 -3.344 4.592 6.427 1.00 0.00 N ATOM 382 CA GLY A 29 -4.552 4.202 7.166 1.00 0.00 C ATOM 383 C GLY A 29 -5.116 2.936 6.503 1.00 0.00 C ATOM 384 O GLY A 29 -5.971 2.274 7.057 1.00 0.00 O ATOM 0 H GLY A 29 -3.285 4.160 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.315 4.013 8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.289 5.005 7.146 1.00 0.00 H new ATOM 388 N CYS A 30 -4.661 2.589 5.301 1.00 0.00 N ATOM 389 CA CYS A 30 -5.214 1.379 4.643 1.00 0.00 C ATOM 390 C CYS A 30 -5.270 0.202 5.617 1.00 0.00 C ATOM 391 O CYS A 30 -4.294 -0.482 5.853 1.00 0.00 O ATOM 392 CB CYS A 30 -4.256 1.093 3.498 1.00 0.00 C ATOM 393 SG CYS A 30 -5.062 0.022 2.283 1.00 0.00 S ATOM 0 H CYS A 30 -3.947 3.091 4.774 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.236 1.530 4.297 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.948 2.026 3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.353 0.614 3.877 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.241 -0.219 1.304 1.00 0.00 H new ATOM 398 N ASN A 31 -6.424 -0.042 6.161 1.00 0.00 N ATOM 399 CA ASN A 31 -6.596 -1.183 7.106 1.00 0.00 C ATOM 400 C ASN A 31 -7.511 -2.214 6.448 1.00 0.00 C ATOM 401 O ASN A 31 -7.106 -3.314 6.130 1.00 0.00 O ATOM 402 CB ASN A 31 -7.258 -0.582 8.347 1.00 0.00 C ATOM 403 CG ASN A 31 -6.228 0.221 9.140 1.00 0.00 C ATOM 404 OD1 ASN A 31 -6.404 1.401 9.368 1.00 0.00 O ATOM 405 ND2 ASN A 31 -5.150 -0.373 9.576 1.00 0.00 N ATOM 0 H ASN A 31 -7.268 0.505 5.992 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.659 -1.677 7.365 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.088 0.061 8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.674 -1.374 8.969 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.457 0.154 10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.001 -1.364 9.385 1.00 0.00 H new ATOM 412 N SER A 32 -8.732 -1.836 6.201 1.00 0.00 N ATOM 413 CA SER A 32 -9.681 -2.754 5.515 1.00 0.00 C ATOM 414 C SER A 32 -9.694 -2.383 4.037 1.00 0.00 C ATOM 415 O SER A 32 -10.419 -1.508 3.610 1.00 0.00 O ATOM 416 CB SER A 32 -11.045 -2.500 6.158 1.00 0.00 C ATOM 417 OG SER A 32 -11.018 -1.261 6.856 1.00 0.00 O ATOM 0 H SER A 32 -9.116 -0.924 6.447 1.00 0.00 H new ATOM 0 HA SER A 32 -9.412 -3.806 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.821 -2.482 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.292 -3.310 6.844 1.00 0.00 H new ATOM 0 HG SER A 32 -11.893 -1.098 7.267 1.00 0.00 H new ATOM 423 N ASP A 33 -8.872 -3.024 3.260 1.00 0.00 N ATOM 424 CA ASP A 33 -8.811 -2.689 1.821 1.00 0.00 C ATOM 425 C ASP A 33 -8.574 -3.945 0.999 1.00 0.00 C ATOM 426 O ASP A 33 -7.501 -4.177 0.479 1.00 0.00 O ATOM 427 CB ASP A 33 -7.632 -1.734 1.687 1.00 0.00 C ATOM 428 CG ASP A 33 -8.017 -0.363 2.246 1.00 0.00 C ATOM 429 OD1 ASP A 33 -7.993 -0.212 3.456 1.00 0.00 O ATOM 430 OD2 ASP A 33 -8.325 0.514 1.455 1.00 0.00 O ATOM 0 H ASP A 33 -8.240 -3.766 3.562 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.739 -2.244 1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.769 -2.128 2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.342 -1.643 0.640 1.00 0.00 H new ATOM 435 N ASP A 34 -9.590 -4.734 0.851 1.00 0.00 N ATOM 436 CA ASP A 34 -9.473 -5.970 0.028 1.00 0.00 C ATOM 437 C ASP A 34 -9.753 -5.627 -1.426 1.00 0.00 C ATOM 438 O ASP A 34 -10.137 -6.450 -2.234 1.00 0.00 O ATOM 439 CB ASP A 34 -10.508 -6.949 0.585 1.00 0.00 C ATOM 440 CG ASP A 34 -9.909 -8.356 0.619 1.00 0.00 C ATOM 441 OD1 ASP A 34 -8.726 -8.480 0.347 1.00 0.00 O ATOM 442 OD2 ASP A 34 -10.642 -9.284 0.916 1.00 0.00 O ATOM 0 H ASP A 34 -10.508 -4.579 1.267 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.477 -6.411 0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.809 -6.646 1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.405 -6.938 -0.034 1.00 0.00 H new ATOM 447 N LYS A 35 -9.486 -4.411 -1.745 1.00 0.00 N ATOM 448 CA LYS A 35 -9.624 -3.903 -3.120 1.00 0.00 C ATOM 449 C LYS A 35 -8.347 -3.133 -3.383 1.00 0.00 C ATOM 450 O LYS A 35 -8.309 -2.130 -4.069 1.00 0.00 O ATOM 451 CB LYS A 35 -10.851 -2.988 -3.117 1.00 0.00 C ATOM 452 CG LYS A 35 -11.020 -2.358 -4.501 1.00 0.00 C ATOM 453 CD LYS A 35 -11.273 -0.855 -4.355 1.00 0.00 C ATOM 454 CE LYS A 35 -12.781 -0.588 -4.367 1.00 0.00 C ATOM 455 NZ LYS A 35 -12.948 0.643 -5.191 1.00 0.00 N ATOM 0 H LYS A 35 -9.161 -3.713 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.760 -4.667 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.742 -3.558 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.736 -2.210 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.126 -2.530 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.852 -2.828 -5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.836 -0.490 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.790 -0.313 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.327 -1.428 -4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.164 -0.442 -3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.957 0.890 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.423 1.427 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.581 0.472 -6.149 1.00 0.00 H new ATOM 469 N CYS A 36 -7.297 -3.637 -2.800 1.00 0.00 N ATOM 470 CA CYS A 36 -5.953 -3.024 -2.933 1.00 0.00 C ATOM 471 C CYS A 36 -4.995 -4.000 -3.550 1.00 0.00 C ATOM 472 O CYS A 36 -4.180 -4.593 -2.871 1.00 0.00 O ATOM 473 CB CYS A 36 -5.439 -2.756 -1.542 1.00 0.00 C ATOM 474 SG CYS A 36 -3.906 -1.796 -1.678 1.00 0.00 S ATOM 0 H CYS A 36 -7.319 -4.475 -2.219 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.028 -2.124 -3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.181 -2.207 -0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.255 -3.694 -1.018 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.442 -1.549 -0.489 1.00 0.00 H new ATOM 479 N PRO A 37 -5.071 -4.088 -4.810 1.00 0.00 N ATOM 480 CA PRO A 37 -4.170 -4.924 -5.564 1.00 0.00 C ATOM 481 C PRO A 37 -3.029 -4.022 -6.002 1.00 0.00 C ATOM 482 O PRO A 37 -2.526 -4.077 -7.106 1.00 0.00 O ATOM 483 CB PRO A 37 -5.084 -5.441 -6.680 1.00 0.00 C ATOM 484 CG PRO A 37 -6.239 -4.464 -6.737 1.00 0.00 C ATOM 485 CD PRO A 37 -6.003 -3.421 -5.691 1.00 0.00 C ATOM 0 HA PRO A 37 -3.695 -5.769 -5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.556 -5.482 -7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.434 -6.451 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.306 -4.007 -7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.184 -4.978 -6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.584 -2.507 -6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.923 -3.142 -5.177 1.00 0.00 H new ATOM 493 N CYS A 38 -2.643 -3.164 -5.081 1.00 0.00 N ATOM 494 CA CYS A 38 -1.555 -2.185 -5.318 1.00 0.00 C ATOM 495 C CYS A 38 -0.208 -2.861 -5.432 1.00 0.00 C ATOM 496 O CYS A 38 0.147 -3.760 -4.696 1.00 0.00 O ATOM 497 CB CYS A 38 -1.653 -1.275 -4.099 1.00 0.00 C ATOM 498 SG CYS A 38 -0.053 -0.574 -3.614 1.00 0.00 S ATOM 0 H CYS A 38 -3.057 -3.110 -4.150 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.654 -1.642 -6.258 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.350 -0.464 -4.312 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.066 -1.839 -3.263 1.00 0.00 H new ATOM 0 HG CYS A 38 0.289 0.353 -4.459 1.00 0.00 H new ATOM 503 N GLY A 39 0.534 -2.385 -6.362 1.00 0.00 N ATOM 504 CA GLY A 39 1.898 -2.911 -6.605 1.00 0.00 C ATOM 505 C GLY A 39 2.863 -1.731 -6.622 1.00 0.00 C ATOM 506 O GLY A 39 4.053 -1.889 -6.810 1.00 0.00 O ATOM 0 H GLY A 39 0.253 -1.631 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.177 -3.620 -5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.936 -3.448 -7.553 1.00 0.00 H new ATOM 510 N ASN A 40 2.354 -0.541 -6.423 1.00 0.00 N ATOM 511 CA ASN A 40 3.244 0.656 -6.425 1.00 0.00 C ATOM 512 C ASN A 40 2.713 1.711 -5.452 1.00 0.00 C ATOM 513 O ASN A 40 3.502 2.221 -4.675 1.00 0.00 O ATOM 514 CB ASN A 40 3.204 1.183 -7.858 1.00 0.00 C ATOM 515 CG ASN A 40 1.750 1.330 -8.307 1.00 0.00 C ATOM 516 OD1 ASN A 40 1.210 0.454 -8.954 1.00 0.00 O ATOM 517 ND2 ASN A 40 1.087 2.407 -7.987 1.00 0.00 N ATOM 518 OXT ASN A 40 1.526 1.989 -5.502 1.00 0.00 O ATOM 0 H ASN A 40 1.366 -0.349 -6.260 1.00 0.00 H new ATOM 0 HA ASN A 40 4.259 0.413 -6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.713 2.145 -7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.734 0.501 -8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.116 2.514 -8.280 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.540 3.142 -7.444 1.00 0.00 H new