USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 578 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 24 ASN : amide:sc= -5.89! C(o=-7.7!,f=-9.2!) USER MOD Set 1.2: A 26 HIS : no HE2:sc= -0.449 K(o=-7.7,f=-11) USER MOD Set 1.3: A 36 THR OG1 : rot -20:sc= -1.95! USER MOD Set 1.4: A 88 THR OG1 : rot -46:sc= 0.604 USER MOD Set 2.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 3.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 71 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Set 4.1: A 23 CYS SG : rot 170:sc= -4.56! USER MOD Set 4.2: A 64 ASN : amide:sc= -0.118 K(o=-4.1,f=-13!) USER MOD Set 4.3: A 70 CYS SG : rot 20:sc= 0.292 USER MOD Set 4.4: A 87 SER OG : rot 158:sc= 0.284 USER MOD Single : A 19 SER OG : rot 36:sc= 0.161 USER MOD Single : A 22 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.28) USER MOD Single : A 25 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.9) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 33 HIS : no HE2:sc= -0.161 K(o=-0.16,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= -0.0495 (180deg=-0.326) USER MOD Single : A 40 LYS NZ :NH3+ -117:sc= 0.0617 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= 0.0321 (180deg=-0.0516) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0309 (180deg=-0.362) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= -0.0213 (180deg=-0.292) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 92 SER OG : rot -140:sc= -2.34! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 19.993 -2.613 -1.155 1.00 0.00 N ATOM 2 CA SER A 19 19.997 -1.274 -1.782 1.00 0.00 C ATOM 3 C SER A 19 18.602 -0.663 -1.703 1.00 0.00 C ATOM 4 O SER A 19 17.877 -0.904 -0.736 1.00 0.00 O ATOM 5 CB SER A 19 20.439 -1.408 -3.236 1.00 0.00 C ATOM 6 OG SER A 19 21.673 -2.101 -3.336 1.00 0.00 O ATOM 0 HA SER A 19 20.691 -0.619 -1.255 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.674 -1.938 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.538 -0.418 -3.681 1.00 0.00 H new ATOM 0 HG SER A 19 21.709 -2.805 -2.655 1.00 0.00 H new ATOM 14 N PHE A 20 18.232 0.155 -2.688 1.00 0.00 N ATOM 15 CA PHE A 20 16.864 0.636 -2.778 1.00 0.00 C ATOM 16 C PHE A 20 15.946 -0.553 -3.025 1.00 0.00 C ATOM 17 O PHE A 20 16.347 -1.544 -3.645 1.00 0.00 O ATOM 18 CB PHE A 20 16.704 1.683 -3.890 1.00 0.00 C ATOM 19 CG PHE A 20 16.495 1.103 -5.260 1.00 0.00 C ATOM 20 CD1 PHE A 20 17.509 0.415 -5.892 1.00 0.00 C ATOM 21 CD2 PHE A 20 15.279 1.245 -5.909 1.00 0.00 C ATOM 22 CE1 PHE A 20 17.323 -0.122 -7.151 1.00 0.00 C ATOM 23 CE2 PHE A 20 15.084 0.711 -7.167 1.00 0.00 C ATOM 24 CZ PHE A 20 16.109 0.024 -7.787 1.00 0.00 C ATOM 0 H PHE A 20 18.854 0.492 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 20 16.598 1.125 -1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.858 2.327 -3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.591 2.316 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.461 0.294 -5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.475 1.779 -5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 20 18.127 -0.655 -7.636 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.133 0.830 -7.665 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.959 -0.399 -8.770 1.00 0.00 H new ATOM 34 N VAL A 21 14.733 -0.462 -2.535 1.00 0.00 N ATOM 35 CA VAL A 21 13.820 -1.583 -2.587 1.00 0.00 C ATOM 36 C VAL A 21 12.435 -1.155 -3.071 1.00 0.00 C ATOM 37 O VAL A 21 11.906 -0.113 -2.669 1.00 0.00 O ATOM 38 CB VAL A 21 13.740 -2.272 -1.206 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.499 -1.244 -0.123 1.00 0.00 C ATOM 40 CG2 VAL A 21 12.667 -3.350 -1.173 1.00 0.00 C ATOM 0 H VAL A 21 14.353 0.376 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 21 14.206 -2.302 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 21 14.696 -2.762 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.445 -1.742 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.318 -0.524 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.561 -0.724 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.643 -3.810 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.696 -2.904 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.892 -4.110 -1.921 1.00 0.00 H new ATOM 50 N GLN A 22 11.878 -1.947 -3.973 1.00 0.00 N ATOM 51 CA GLN A 22 10.534 -1.724 -4.467 1.00 0.00 C ATOM 52 C GLN A 22 9.610 -2.816 -3.933 1.00 0.00 C ATOM 53 O GLN A 22 10.003 -3.978 -3.841 1.00 0.00 O ATOM 54 CB GLN A 22 10.540 -1.659 -6.004 1.00 0.00 C ATOM 55 CG GLN A 22 11.397 -2.726 -6.682 1.00 0.00 C ATOM 56 CD GLN A 22 10.728 -4.088 -6.764 1.00 0.00 C ATOM 57 OE1 GLN A 22 11.390 -5.125 -6.690 1.00 0.00 O ATOM 58 NE2 GLN A 22 9.421 -4.096 -6.956 1.00 0.00 N ATOM 0 H GLN A 22 12.344 -2.758 -4.380 1.00 0.00 H new ATOM 0 HA GLN A 22 10.156 -0.766 -4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.515 -1.753 -6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.896 -0.676 -6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.646 -2.393 -7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.336 -2.825 -6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.908 -3.216 -7.012 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.925 -4.982 -7.049 1.00 0.00 H new ATOM 67 N CYS A 23 8.390 -2.443 -3.571 1.00 0.00 N ATOM 68 CA CYS A 23 7.521 -3.345 -2.827 1.00 0.00 C ATOM 69 C CYS A 23 6.059 -3.178 -3.216 1.00 0.00 C ATOM 70 O CYS A 23 5.653 -2.136 -3.726 1.00 0.00 O ATOM 71 CB CYS A 23 7.650 -3.055 -1.330 1.00 0.00 C ATOM 72 SG CYS A 23 9.333 -3.117 -0.679 1.00 0.00 S ATOM 0 H CYS A 23 7.982 -1.531 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 23 7.831 -4.363 -3.062 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.236 -2.067 -1.130 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.039 -3.773 -0.783 1.00 0.00 H new ATOM 0 HG CYS A 23 9.346 -2.651 0.535 1.00 0.00 H new ATOM 78 N ASN A 24 5.267 -4.212 -2.969 1.00 0.00 N ATOM 79 CA ASN A 24 3.823 -4.078 -3.026 1.00 0.00 C ATOM 80 C ASN A 24 3.338 -3.527 -1.700 1.00 0.00 C ATOM 81 O ASN A 24 3.443 -4.186 -0.666 1.00 0.00 O ATOM 82 CB ASN A 24 3.127 -5.413 -3.336 1.00 0.00 C ATOM 83 CG ASN A 24 3.805 -6.603 -2.691 1.00 0.00 C ATOM 84 OD1 ASN A 24 3.561 -6.927 -1.527 1.00 0.00 O ATOM 85 ND2 ASN A 24 4.639 -7.285 -3.461 1.00 0.00 N ATOM 0 H ASN A 24 5.600 -5.146 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 24 3.570 -3.397 -3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.093 -5.364 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.100 -5.559 -4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.108 -8.114 -3.096 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.812 -6.981 -4.419 1.00 0.00 H new ATOM 92 N HIS A 25 2.846 -2.304 -1.715 1.00 0.00 N ATOM 93 CA HIS A 25 2.369 -1.684 -0.494 1.00 0.00 C ATOM 94 C HIS A 25 1.003 -2.241 -0.155 1.00 0.00 C ATOM 95 O HIS A 25 0.093 -2.214 -0.981 1.00 0.00 O ATOM 96 CB HIS A 25 2.322 -0.163 -0.628 1.00 0.00 C ATOM 97 CG HIS A 25 3.675 0.461 -0.774 1.00 0.00 C ATOM 98 ND1 HIS A 25 3.963 1.425 -1.714 1.00 0.00 N ATOM 99 CD2 HIS A 25 4.821 0.260 -0.080 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.226 1.792 -1.591 1.00 0.00 C ATOM 101 NE2 HIS A 25 5.770 1.101 -0.606 1.00 0.00 N ATOM 0 H HIS A 25 2.766 -1.724 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 25 3.062 -1.914 0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.713 0.100 -1.493 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.829 0.257 0.249 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.962 -0.433 0.736 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.729 2.533 -2.195 1.00 0.00 H new ATOM 0 HE2 HIS A 25 6.736 1.179 -0.288 1.00 0.00 H new ATOM 110 N HIS A 26 0.878 -2.783 1.041 1.00 0.00 N ATOM 111 CA HIS A 26 -0.345 -3.458 1.441 1.00 0.00 C ATOM 112 C HIS A 26 -1.315 -2.500 2.098 1.00 0.00 C ATOM 113 O HIS A 26 -0.924 -1.659 2.898 1.00 0.00 O ATOM 114 CB HIS A 26 -0.049 -4.603 2.418 1.00 0.00 C ATOM 115 CG HIS A 26 0.543 -5.825 1.787 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.284 -7.101 2.238 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.387 -5.966 0.739 1.00 0.00 C ATOM 118 CE1 HIS A 26 0.938 -7.969 1.494 1.00 0.00 C ATOM 119 NE2 HIS A 26 1.614 -7.307 0.576 1.00 0.00 N ATOM 0 H HIS A 26 1.607 -2.770 1.754 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.794 -3.859 0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.634 -4.240 3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.975 -4.882 2.921 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.320 -7.337 3.025 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.804 -5.169 0.142 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.923 -9.042 1.615 1.00 0.00 H new ATOM 128 N LEU A 27 -2.576 -2.631 1.742 1.00 0.00 N ATOM 129 CA LEU A 27 -3.639 -2.002 2.488 1.00 0.00 C ATOM 130 C LEU A 27 -4.223 -3.070 3.396 1.00 0.00 C ATOM 131 O LEU A 27 -4.742 -4.090 2.925 1.00 0.00 O ATOM 132 CB LEU A 27 -4.711 -1.432 1.546 1.00 0.00 C ATOM 133 CG LEU A 27 -5.635 -0.355 2.146 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.450 -0.900 3.306 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.821 0.848 2.597 1.00 0.00 C ATOM 0 H LEU A 27 -2.888 -3.171 0.935 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.261 -1.162 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.212 -1.009 0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.330 -2.256 1.191 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.331 -0.045 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.090 -0.112 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.068 -1.728 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.778 -1.251 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.487 1.601 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.100 0.537 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.291 1.270 1.743 1.00 0.00 H new ATOM 147 N LEU A 28 -4.096 -2.854 4.685 1.00 0.00 N ATOM 148 CA LEU A 28 -4.497 -3.832 5.668 1.00 0.00 C ATOM 149 C LEU A 28 -5.879 -3.521 6.209 1.00 0.00 C ATOM 150 O LEU A 28 -6.140 -2.430 6.719 1.00 0.00 O ATOM 151 CB LEU A 28 -3.484 -3.880 6.809 1.00 0.00 C ATOM 152 CG LEU A 28 -2.839 -5.244 7.035 1.00 0.00 C ATOM 153 CD1 LEU A 28 -3.885 -6.291 7.387 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.060 -5.658 5.800 1.00 0.00 C ATOM 0 H LEU A 28 -3.712 -1.996 5.081 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.531 -4.808 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.699 -3.151 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.980 -3.571 7.729 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.151 -5.167 7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.398 -7.254 7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.404 -5.995 8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.604 -6.376 6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.602 -6.633 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.735 -5.717 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.282 -4.922 5.597 1.00 0.00 H new ATOM 166 N TYR A 29 -6.755 -4.492 6.091 1.00 0.00 N ATOM 167 CA TYR A 29 -8.098 -4.379 6.610 1.00 0.00 C ATOM 168 C TYR A 29 -8.223 -5.327 7.786 1.00 0.00 C ATOM 169 O TYR A 29 -7.519 -6.338 7.839 1.00 0.00 O ATOM 170 CB TYR A 29 -9.110 -4.730 5.516 1.00 0.00 C ATOM 171 CG TYR A 29 -10.547 -4.403 5.868 1.00 0.00 C ATOM 172 CD1 TYR A 29 -10.994 -3.087 5.883 1.00 0.00 C ATOM 173 CD2 TYR A 29 -11.461 -5.408 6.172 1.00 0.00 C ATOM 174 CE1 TYR A 29 -12.306 -2.781 6.191 1.00 0.00 C ATOM 175 CE2 TYR A 29 -12.776 -5.108 6.482 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.192 -3.794 6.490 1.00 0.00 C ATOM 177 OH TYR A 29 -14.501 -3.489 6.793 1.00 0.00 O ATOM 0 H TYR A 29 -6.557 -5.382 5.633 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.302 -3.359 6.936 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.841 -4.197 4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.035 -5.795 5.296 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.304 -2.290 5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.139 -6.439 6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.636 -1.753 6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.473 -5.899 6.716 1.00 0.00 H new ATOM 0 HH TYR A 29 -14.995 -4.315 6.979 1.00 0.00 H new ATOM 187 N ASN A 30 -9.079 -4.984 8.739 1.00 0.00 N ATOM 188 CA ASN A 30 -9.297 -5.820 9.913 1.00 0.00 C ATOM 189 C ASN A 30 -9.632 -7.243 9.498 1.00 0.00 C ATOM 190 O ASN A 30 -10.753 -7.533 9.079 1.00 0.00 O ATOM 191 CB ASN A 30 -10.421 -5.251 10.784 1.00 0.00 C ATOM 192 CG ASN A 30 -10.041 -3.935 11.430 1.00 0.00 C ATOM 193 OD1 ASN A 30 -10.211 -2.869 10.839 1.00 0.00 O ATOM 194 ND2 ASN A 30 -9.543 -3.999 12.655 1.00 0.00 N ATOM 0 H ASN A 30 -9.636 -4.130 8.722 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.376 -5.830 10.496 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.313 -5.109 10.174 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.677 -5.973 11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.284 -3.143 13.146 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.419 -4.904 13.108 1.00 0.00 H new ATOM 201 N GLY A 31 -8.640 -8.117 9.594 1.00 0.00 N ATOM 202 CA GLY A 31 -8.815 -9.492 9.199 1.00 0.00 C ATOM 203 C GLY A 31 -7.677 -9.991 8.333 1.00 0.00 C ATOM 204 O GLY A 31 -6.979 -10.935 8.704 1.00 0.00 O ATOM 0 H GLY A 31 -7.709 -7.890 9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.892 -10.116 10.089 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.754 -9.595 8.655 1.00 0.00 H new ATOM 208 N ARG A 32 -7.459 -9.338 7.196 1.00 0.00 N ATOM 209 CA ARG A 32 -6.506 -9.839 6.215 1.00 0.00 C ATOM 210 C ARG A 32 -6.106 -8.743 5.221 1.00 0.00 C ATOM 211 O ARG A 32 -6.720 -7.673 5.176 1.00 0.00 O ATOM 212 CB ARG A 32 -7.139 -11.020 5.462 1.00 0.00 C ATOM 213 CG ARG A 32 -6.153 -11.870 4.676 1.00 0.00 C ATOM 214 CD ARG A 32 -5.175 -12.578 5.594 1.00 0.00 C ATOM 215 NE ARG A 32 -4.258 -13.447 4.862 1.00 0.00 N ATOM 216 CZ ARG A 32 -3.133 -13.942 5.375 1.00 0.00 C ATOM 217 NH1 ARG A 32 -2.768 -13.637 6.615 1.00 0.00 N ATOM 218 NH2 ARG A 32 -2.374 -14.741 4.640 1.00 0.00 N ATOM 0 H ARG A 32 -7.925 -8.469 6.934 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.605 -10.164 6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.656 -11.657 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.894 -10.635 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.697 -12.606 4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.605 -11.240 3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.602 -11.837 6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.728 -13.169 6.324 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.493 -13.690 3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.351 -13.020 7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.905 -14.020 7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.652 -14.974 3.687 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.511 -15.123 5.027 1.00 0.00 H new ATOM 232 N HIS A 33 -5.045 -9.015 4.462 1.00 0.00 N ATOM 233 CA HIS A 33 -4.638 -8.195 3.326 1.00 0.00 C ATOM 234 C HIS A 33 -5.823 -7.927 2.399 1.00 0.00 C ATOM 235 O HIS A 33 -6.418 -8.858 1.856 1.00 0.00 O ATOM 236 CB HIS A 33 -3.511 -8.934 2.586 1.00 0.00 C ATOM 237 CG HIS A 33 -3.332 -8.574 1.138 1.00 0.00 C ATOM 238 ND1 HIS A 33 -3.454 -9.501 0.130 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.032 -7.402 0.527 1.00 0.00 C ATOM 240 CE1 HIS A 33 -3.239 -8.924 -1.033 1.00 0.00 C ATOM 241 NE2 HIS A 33 -2.981 -7.647 -0.827 1.00 0.00 N ATOM 0 H HIS A 33 -4.439 -9.820 4.622 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.279 -7.226 3.672 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.573 -8.742 3.107 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.699 -10.005 2.654 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.677 -10.487 0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.864 -6.452 1.012 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.269 -9.414 -1.995 1.00 0.00 H new ATOM 250 N TRP A 34 -6.158 -6.655 2.224 1.00 0.00 N ATOM 251 CA TRP A 34 -7.291 -6.281 1.387 1.00 0.00 C ATOM 252 C TRP A 34 -6.834 -6.004 -0.043 1.00 0.00 C ATOM 253 O TRP A 34 -7.327 -6.610 -0.994 1.00 0.00 O ATOM 254 CB TRP A 34 -7.993 -5.050 1.967 1.00 0.00 C ATOM 255 CG TRP A 34 -9.419 -4.916 1.530 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.518 -5.403 2.179 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.904 -4.263 0.351 1.00 0.00 C ATOM 258 NE1 TRP A 34 -11.655 -5.091 1.477 1.00 0.00 N ATOM 259 CE2 TRP A 34 -11.305 -4.395 0.351 1.00 0.00 C ATOM 260 CE3 TRP A 34 -9.290 -3.582 -0.704 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -12.101 -3.870 -0.663 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -10.082 -3.062 -1.709 1.00 0.00 C ATOM 263 CH2 TRP A 34 -11.474 -3.209 -1.682 1.00 0.00 C ATOM 0 H TRP A 34 -5.665 -5.869 2.648 1.00 0.00 H new ATOM 0 HA TRP A 34 -7.996 -7.112 1.368 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -7.958 -5.100 3.055 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.445 -4.156 1.671 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.495 -5.953 3.108 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.606 -5.338 1.750 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -8.217 -3.465 -0.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -13.175 -3.981 -0.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -9.620 -2.533 -2.529 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -12.065 -2.791 -2.483 1.00 0.00 H new ATOM 274 N GLY A 35 -5.881 -5.092 -0.186 1.00 0.00 N ATOM 275 CA GLY A 35 -5.352 -4.762 -1.496 1.00 0.00 C ATOM 276 C GLY A 35 -3.884 -4.402 -1.425 1.00 0.00 C ATOM 277 O GLY A 35 -3.363 -4.153 -0.337 1.00 0.00 O ATOM 0 H GLY A 35 -5.463 -4.572 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.488 -5.609 -2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.913 -3.927 -1.917 1.00 0.00 H new ATOM 281 N THR A 36 -3.202 -4.413 -2.560 1.00 0.00 N ATOM 282 CA THR A 36 -1.798 -4.050 -2.604 1.00 0.00 C ATOM 283 C THR A 36 -1.417 -3.532 -3.991 1.00 0.00 C ATOM 284 O THR A 36 -1.901 -4.033 -5.008 1.00 0.00 O ATOM 285 CB THR A 36 -0.890 -5.239 -2.201 1.00 0.00 C ATOM 286 OG1 THR A 36 0.425 -4.769 -1.899 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.806 -6.291 -3.297 1.00 0.00 C ATOM 0 H THR A 36 -3.601 -4.670 -3.463 1.00 0.00 H new ATOM 0 HA THR A 36 -1.642 -3.252 -1.878 1.00 0.00 H new ATOM 0 HB THR A 36 -1.336 -5.702 -1.321 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.559 -3.888 -2.307 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.159 -7.105 -2.971 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.803 -6.680 -3.505 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.396 -5.842 -4.202 1.00 0.00 H new ATOM 295 N ILE A 37 -0.587 -2.497 -4.019 1.00 0.00 N ATOM 296 CA ILE A 37 -0.077 -1.953 -5.269 1.00 0.00 C ATOM 297 C ILE A 37 1.449 -1.949 -5.230 1.00 0.00 C ATOM 298 O ILE A 37 2.046 -1.435 -4.277 1.00 0.00 O ATOM 299 CB ILE A 37 -0.584 -0.505 -5.548 1.00 0.00 C ATOM 300 CG1 ILE A 37 -2.096 -0.455 -5.839 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.173 0.109 -6.720 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.988 -0.746 -4.646 1.00 0.00 C ATOM 0 H ILE A 37 -0.252 -2.016 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.447 -2.589 -6.074 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.398 0.070 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.344 0.533 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.323 -1.173 -6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.194 1.119 -6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.237 0.145 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.018 -0.498 -7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.033 -0.687 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.776 -1.746 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.797 -0.014 -3.862 1.00 0.00 H new ATOM 314 N ARG A 38 2.084 -2.533 -6.238 1.00 0.00 N ATOM 315 CA ARG A 38 3.539 -2.567 -6.282 1.00 0.00 C ATOM 316 C ARG A 38 4.121 -1.246 -6.760 1.00 0.00 C ATOM 317 O ARG A 38 3.989 -0.877 -7.927 1.00 0.00 O ATOM 318 CB ARG A 38 4.063 -3.714 -7.144 1.00 0.00 C ATOM 319 CG ARG A 38 4.441 -4.932 -6.321 1.00 0.00 C ATOM 320 CD ARG A 38 5.469 -5.807 -7.013 1.00 0.00 C ATOM 321 NE ARG A 38 4.915 -6.544 -8.146 1.00 0.00 N ATOM 322 CZ ARG A 38 5.565 -6.754 -9.289 1.00 0.00 C ATOM 323 NH1 ARG A 38 6.730 -6.158 -9.518 1.00 0.00 N ATOM 324 NH2 ARG A 38 5.036 -7.544 -10.212 1.00 0.00 N ATOM 0 H ARG A 38 1.621 -2.984 -7.027 1.00 0.00 H new ATOM 0 HA ARG A 38 3.869 -2.737 -5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.302 -3.994 -7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.933 -3.374 -7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.835 -4.607 -5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.546 -5.520 -6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.295 -5.185 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.882 -6.513 -6.293 1.00 0.00 H new ATOM 0 HE ARG A 38 3.972 -6.921 -8.056 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.131 -5.536 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.223 -6.323 -10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.133 -7.989 -10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.531 -7.707 -11.089 1.00 0.00 H new ATOM 338 N LYS A 39 4.761 -0.548 -5.833 1.00 0.00 N ATOM 339 CA LYS A 39 5.465 0.697 -6.113 1.00 0.00 C ATOM 340 C LYS A 39 6.682 0.798 -5.204 1.00 0.00 C ATOM 341 O LYS A 39 6.611 0.467 -4.018 1.00 0.00 O ATOM 342 CB LYS A 39 4.565 1.922 -5.906 1.00 0.00 C ATOM 343 CG LYS A 39 3.496 2.094 -6.971 1.00 0.00 C ATOM 344 CD LYS A 39 2.871 3.478 -6.916 1.00 0.00 C ATOM 345 CE LYS A 39 1.796 3.650 -7.978 1.00 0.00 C ATOM 346 NZ LYS A 39 2.309 3.371 -9.347 1.00 0.00 N ATOM 0 H LYS A 39 4.807 -0.832 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 39 5.771 0.685 -7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.083 1.844 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.187 2.817 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.933 1.930 -7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.722 1.339 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.438 3.643 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.645 4.233 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.963 2.982 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.407 4.668 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.629 3.723 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.223 3.849 -9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.434 2.346 -9.469 1.00 0.00 H new ATOM 360 N LYS A 40 7.796 1.228 -5.768 1.00 0.00 N ATOM 361 CA LYS A 40 9.032 1.380 -5.015 1.00 0.00 C ATOM 362 C LYS A 40 8.880 2.410 -3.899 1.00 0.00 C ATOM 363 O LYS A 40 8.009 3.281 -3.956 1.00 0.00 O ATOM 364 CB LYS A 40 10.174 1.770 -5.952 1.00 0.00 C ATOM 365 CG LYS A 40 9.906 3.017 -6.772 1.00 0.00 C ATOM 366 CD LYS A 40 11.101 3.368 -7.641 1.00 0.00 C ATOM 367 CE LYS A 40 12.381 3.410 -6.822 1.00 0.00 C ATOM 368 NZ LYS A 40 13.539 3.898 -7.616 1.00 0.00 N ATOM 0 H LYS A 40 7.872 1.481 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 40 9.266 0.422 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.077 1.924 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.374 0.939 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.029 2.861 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.678 3.851 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.201 2.634 -8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.938 4.336 -8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.236 4.058 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.599 2.413 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.254 3.146 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.219 4.162 -8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.955 4.728 -7.148 1.00 0.00 H new ATOM 382 N ALA A 41 9.732 2.294 -2.885 1.00 0.00 N ATOM 383 CA ALA A 41 9.676 3.163 -1.716 1.00 0.00 C ATOM 384 C ALA A 41 9.819 4.633 -2.092 1.00 0.00 C ATOM 385 O ALA A 41 10.582 4.987 -2.990 1.00 0.00 O ATOM 386 CB ALA A 41 10.754 2.765 -0.724 1.00 0.00 C ATOM 0 H ALA A 41 10.477 1.598 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 41 8.696 3.039 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.706 3.419 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.598 1.732 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.733 2.858 -1.194 1.00 0.00 H new ATOM 392 N GLY A 42 9.069 5.478 -1.396 1.00 0.00 N ATOM 393 CA GLY A 42 9.123 6.905 -1.641 1.00 0.00 C ATOM 394 C GLY A 42 7.957 7.395 -2.471 1.00 0.00 C ATOM 395 O GLY A 42 7.388 8.452 -2.194 1.00 0.00 O ATOM 0 H GLY A 42 8.420 5.197 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.134 7.434 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.055 7.148 -2.151 1.00 0.00 H new ATOM 399 N TRP A 43 7.593 6.616 -3.477 1.00 0.00 N ATOM 400 CA TRP A 43 6.535 6.996 -4.403 1.00 0.00 C ATOM 401 C TRP A 43 5.164 6.841 -3.763 1.00 0.00 C ATOM 402 O TRP A 43 4.917 5.899 -3.000 1.00 0.00 O ATOM 403 CB TRP A 43 6.619 6.165 -5.688 1.00 0.00 C ATOM 404 CG TRP A 43 7.796 6.515 -6.544 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.098 6.186 -6.319 1.00 0.00 C ATOM 406 CD2 TRP A 43 7.776 7.268 -7.764 1.00 0.00 C ATOM 407 NE1 TRP A 43 9.891 6.676 -7.325 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.105 7.348 -8.224 1.00 0.00 C ATOM 409 CE3 TRP A 43 6.767 7.880 -8.513 1.00 0.00 C ATOM 410 CZ2 TRP A 43 9.446 8.014 -9.398 1.00 0.00 C ATOM 411 CZ3 TRP A 43 7.110 8.539 -9.677 1.00 0.00 C ATOM 412 CH2 TRP A 43 8.439 8.602 -10.109 1.00 0.00 C ATOM 0 H TRP A 43 8.018 5.710 -3.675 1.00 0.00 H new ATOM 0 HA TRP A 43 6.675 8.047 -4.656 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.671 5.108 -5.426 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.705 6.306 -6.264 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.455 5.621 -5.471 1.00 0.00 H new ATOM 0 HE1 TRP A 43 10.902 6.559 -7.393 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.738 7.838 -8.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.471 8.064 -9.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.338 9.014 -10.264 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.674 9.126 -11.024 1.00 0.00 H new ATOM 423 N ALA A 44 4.283 7.780 -4.076 1.00 0.00 N ATOM 424 CA ALA A 44 2.941 7.795 -3.530 1.00 0.00 C ATOM 425 C ALA A 44 2.092 6.711 -4.179 1.00 0.00 C ATOM 426 O ALA A 44 2.064 6.581 -5.405 1.00 0.00 O ATOM 427 CB ALA A 44 2.304 9.160 -3.737 1.00 0.00 C ATOM 0 H ALA A 44 4.481 8.550 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 44 2.998 7.595 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.296 9.158 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.902 9.920 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.257 9.382 -4.803 1.00 0.00 H new ATOM 433 N VAL A 45 1.407 5.938 -3.356 1.00 0.00 N ATOM 434 CA VAL A 45 0.559 4.865 -3.831 1.00 0.00 C ATOM 435 C VAL A 45 -0.873 5.080 -3.354 1.00 0.00 C ATOM 436 O VAL A 45 -1.104 5.520 -2.225 1.00 0.00 O ATOM 437 CB VAL A 45 1.086 3.486 -3.360 1.00 0.00 C ATOM 438 CG1 VAL A 45 1.131 3.396 -1.844 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.238 2.364 -3.926 1.00 0.00 C ATOM 0 H VAL A 45 1.424 6.038 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 45 0.575 4.874 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 45 2.104 3.380 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.505 2.416 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.792 4.170 -1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.128 3.538 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.626 1.405 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.792 2.480 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.269 2.398 -5.015 1.00 0.00 H new ATOM 449 N ARG A 46 -1.829 4.796 -4.224 1.00 0.00 N ATOM 450 CA ARG A 46 -3.228 4.994 -3.893 1.00 0.00 C ATOM 451 C ARG A 46 -3.883 3.669 -3.526 1.00 0.00 C ATOM 452 O ARG A 46 -3.607 2.635 -4.135 1.00 0.00 O ATOM 453 CB ARG A 46 -3.985 5.668 -5.052 1.00 0.00 C ATOM 454 CG ARG A 46 -4.454 4.728 -6.163 1.00 0.00 C ATOM 455 CD ARG A 46 -3.301 4.161 -6.979 1.00 0.00 C ATOM 456 NE ARG A 46 -2.471 5.219 -7.556 1.00 0.00 N ATOM 457 CZ ARG A 46 -1.660 5.049 -8.596 1.00 0.00 C ATOM 458 NH1 ARG A 46 -1.544 3.858 -9.170 1.00 0.00 N ATOM 459 NH2 ARG A 46 -0.970 6.080 -9.064 1.00 0.00 N ATOM 0 H ARG A 46 -1.661 4.429 -5.161 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.277 5.658 -3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.854 6.184 -4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.340 6.429 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.021 3.907 -5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.133 5.265 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.686 3.522 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.695 3.532 -7.777 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.518 6.146 -7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.079 3.066 -8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.920 3.735 -9.967 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.063 6.997 -8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.346 5.956 -9.861 1.00 0.00 H new ATOM 473 N PHE A 47 -4.721 3.706 -2.510 1.00 0.00 N ATOM 474 CA PHE A 47 -5.512 2.553 -2.128 1.00 0.00 C ATOM 475 C PHE A 47 -6.986 2.905 -2.214 1.00 0.00 C ATOM 476 O PHE A 47 -7.388 4.004 -1.835 1.00 0.00 O ATOM 477 CB PHE A 47 -5.152 2.101 -0.713 1.00 0.00 C ATOM 478 CG PHE A 47 -3.708 1.728 -0.552 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.227 0.533 -1.062 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.833 2.565 0.121 1.00 0.00 C ATOM 481 CE1 PHE A 47 -1.900 0.183 -0.906 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.507 2.220 0.279 1.00 0.00 C ATOM 483 CZ PHE A 47 -1.040 1.028 -0.234 1.00 0.00 C ATOM 0 H PHE A 47 -4.873 4.530 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.298 1.730 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.392 2.901 -0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.772 1.245 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.897 -0.132 -1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.193 3.499 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.536 -0.750 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.835 2.883 0.804 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.002 0.756 -0.110 1.00 0.00 H new ATOM 493 N TYR A 48 -7.787 1.984 -2.717 1.00 0.00 N ATOM 494 CA TYR A 48 -9.194 2.259 -2.953 1.00 0.00 C ATOM 495 C TYR A 48 -10.043 1.012 -2.753 1.00 0.00 C ATOM 496 O TYR A 48 -9.561 -0.112 -2.898 1.00 0.00 O ATOM 497 CB TYR A 48 -9.385 2.823 -4.369 1.00 0.00 C ATOM 498 CG TYR A 48 -8.738 1.996 -5.462 1.00 0.00 C ATOM 499 CD1 TYR A 48 -9.397 0.908 -6.017 1.00 0.00 C ATOM 500 CD2 TYR A 48 -7.474 2.314 -5.944 1.00 0.00 C ATOM 501 CE1 TYR A 48 -8.815 0.156 -7.018 1.00 0.00 C ATOM 502 CE2 TYR A 48 -6.885 1.569 -6.947 1.00 0.00 C ATOM 503 CZ TYR A 48 -7.559 0.491 -7.480 1.00 0.00 C ATOM 504 OH TYR A 48 -6.981 -0.254 -8.484 1.00 0.00 O ATOM 0 H TYR A 48 -7.490 1.042 -2.970 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.525 3.001 -2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.452 2.904 -4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.976 3.833 -4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.382 0.645 -5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.943 3.157 -5.528 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.340 -0.690 -7.437 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.902 1.829 -7.311 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.097 0.112 -8.696 1.00 0.00 H new ATOM 514 N GLU A 49 -11.307 1.227 -2.415 1.00 0.00 N ATOM 515 CA GLU A 49 -12.238 0.138 -2.168 1.00 0.00 C ATOM 516 C GLU A 49 -13.183 -0.036 -3.353 1.00 0.00 C ATOM 517 O GLU A 49 -13.591 0.941 -3.987 1.00 0.00 O ATOM 518 CB GLU A 49 -13.035 0.400 -0.884 1.00 0.00 C ATOM 519 CG GLU A 49 -13.849 1.685 -0.911 1.00 0.00 C ATOM 520 CD GLU A 49 -14.576 1.945 0.393 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.615 1.298 0.638 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.116 2.797 1.180 1.00 0.00 O ATOM 0 H GLU A 49 -11.713 2.156 -2.305 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.668 -0.783 -2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.707 -0.440 -0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.344 0.437 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.188 2.524 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.575 1.633 -1.723 1.00 0.00 H new ATOM 529 N GLU A 50 -13.508 -1.283 -3.660 1.00 0.00 N ATOM 530 CA GLU A 50 -14.414 -1.588 -4.756 1.00 0.00 C ATOM 531 C GLU A 50 -15.847 -1.728 -4.248 1.00 0.00 C ATOM 532 O GLU A 50 -16.206 -2.723 -3.622 1.00 0.00 O ATOM 533 CB GLU A 50 -13.973 -2.864 -5.485 1.00 0.00 C ATOM 534 CG GLU A 50 -13.707 -4.049 -4.568 1.00 0.00 C ATOM 535 CD GLU A 50 -13.474 -5.335 -5.331 1.00 0.00 C ATOM 536 OE1 GLU A 50 -12.416 -5.462 -5.984 1.00 0.00 O ATOM 537 OE2 GLU A 50 -14.352 -6.225 -5.290 1.00 0.00 O ATOM 0 H GLU A 50 -13.156 -2.102 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.381 -0.761 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.743 -3.142 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.068 -2.649 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.836 -3.836 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.554 -4.179 -3.894 1.00 0.00 H new ATOM 544 N LYS A 51 -16.654 -0.711 -4.497 1.00 0.00 N ATOM 545 CA LYS A 51 -18.056 -0.742 -4.108 1.00 0.00 C ATOM 546 C LYS A 51 -18.943 -0.613 -5.340 1.00 0.00 C ATOM 547 O LYS A 51 -18.678 0.210 -6.214 1.00 0.00 O ATOM 548 CB LYS A 51 -18.356 0.365 -3.095 1.00 0.00 C ATOM 549 CG LYS A 51 -17.607 0.192 -1.782 1.00 0.00 C ATOM 550 CD LYS A 51 -17.891 -1.169 -1.163 1.00 0.00 C ATOM 551 CE LYS A 51 -17.019 -1.442 0.054 1.00 0.00 C ATOM 552 NZ LYS A 51 -17.254 -2.806 0.601 1.00 0.00 N ATOM 0 H LYS A 51 -16.364 0.147 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.269 -1.698 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.094 1.329 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.427 0.386 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.536 0.300 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.899 0.979 -1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.941 -1.223 -0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.725 -1.947 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.969 -1.334 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.226 -0.700 0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.643 -2.958 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.250 -2.900 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.032 -3.515 -0.127 1.00 0.00 H new ATOM 566 N PRO A 52 -19.995 -1.442 -5.421 1.00 0.00 N ATOM 567 CA PRO A 52 -20.878 -1.502 -6.592 1.00 0.00 C ATOM 568 C PRO A 52 -21.636 -0.200 -6.829 1.00 0.00 C ATOM 569 O PRO A 52 -22.428 0.235 -5.992 1.00 0.00 O ATOM 570 CB PRO A 52 -21.863 -2.628 -6.258 1.00 0.00 C ATOM 571 CG PRO A 52 -21.234 -3.385 -5.138 1.00 0.00 C ATOM 572 CD PRO A 52 -20.411 -2.390 -4.377 1.00 0.00 C ATOM 0 HA PRO A 52 -20.307 -1.672 -7.505 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -22.833 -2.227 -5.965 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -22.031 -3.272 -7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.992 -3.835 -4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -20.613 -4.197 -5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.991 -1.900 -3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -19.555 -2.860 -3.893 1.00 0.00 H new ATOM 580 N GLY A 53 -21.379 0.420 -7.973 1.00 0.00 N ATOM 581 CA GLY A 53 -22.079 1.635 -8.335 1.00 0.00 C ATOM 582 C GLY A 53 -21.284 2.872 -7.998 1.00 0.00 C ATOM 583 O GLY A 53 -21.603 3.972 -8.448 1.00 0.00 O ATOM 0 H GLY A 53 -20.695 0.101 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.295 1.624 -9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.037 1.669 -7.817 1.00 0.00 H new ATOM 587 N GLN A 54 -20.245 2.690 -7.201 1.00 0.00 N ATOM 588 CA GLN A 54 -19.405 3.792 -6.782 1.00 0.00 C ATOM 589 C GLN A 54 -18.056 3.733 -7.477 1.00 0.00 C ATOM 590 O GLN A 54 -17.565 2.652 -7.821 1.00 0.00 O ATOM 591 CB GLN A 54 -19.188 3.742 -5.270 1.00 0.00 C ATOM 592 CG GLN A 54 -20.465 3.846 -4.459 1.00 0.00 C ATOM 593 CD GLN A 54 -20.198 3.889 -2.964 1.00 0.00 C ATOM 594 OE1 GLN A 54 -19.152 4.364 -2.520 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.143 3.405 -2.176 1.00 0.00 N ATOM 0 H GLN A 54 -19.964 1.782 -6.831 1.00 0.00 H new ATOM 0 HA GLN A 54 -19.907 4.721 -7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.684 2.809 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.520 4.554 -4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -21.008 4.744 -4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.107 2.995 -4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.996 3.019 -2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.019 3.417 -1.164 1.00 0.00 H new ATOM 604 N PRO A 55 -17.440 4.897 -7.702 1.00 0.00 N ATOM 605 CA PRO A 55 -16.048 4.963 -8.123 1.00 0.00 C ATOM 606 C PRO A 55 -15.159 4.452 -7.002 1.00 0.00 C ATOM 607 O PRO A 55 -15.534 4.522 -5.830 1.00 0.00 O ATOM 608 CB PRO A 55 -15.810 6.449 -8.375 1.00 0.00 C ATOM 609 CG PRO A 55 -16.842 7.144 -7.557 1.00 0.00 C ATOM 610 CD PRO A 55 -18.038 6.233 -7.551 1.00 0.00 C ATOM 0 HA PRO A 55 -15.828 4.358 -9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -14.804 6.745 -8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -15.914 6.692 -9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -16.482 7.325 -6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -17.092 8.115 -7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -18.605 6.318 -6.624 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -18.724 6.462 -8.367 1.00 0.00 H new ATOM 618 N LYS A 56 -13.996 3.938 -7.352 1.00 0.00 N ATOM 619 CA LYS A 56 -13.132 3.300 -6.375 1.00 0.00 C ATOM 620 C LYS A 56 -12.609 4.335 -5.393 1.00 0.00 C ATOM 621 O LYS A 56 -11.782 5.179 -5.737 1.00 0.00 O ATOM 622 CB LYS A 56 -11.998 2.565 -7.084 1.00 0.00 C ATOM 623 CG LYS A 56 -12.500 1.547 -8.088 1.00 0.00 C ATOM 624 CD LYS A 56 -13.433 0.568 -7.414 1.00 0.00 C ATOM 625 CE LYS A 56 -14.291 -0.190 -8.414 1.00 0.00 C ATOM 626 NZ LYS A 56 -15.345 0.665 -9.029 1.00 0.00 N ATOM 0 H LYS A 56 -13.627 3.949 -8.303 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.700 2.563 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.363 3.290 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.376 2.063 -6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.018 2.053 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.658 1.014 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.850 -0.142 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.078 1.104 -6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.654 -0.596 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.761 -1.037 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.014 0.067 -9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.854 1.179 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.904 1.346 -9.679 1.00 0.00 H new ATOM 640 N ARG A 57 -13.102 4.251 -4.166 1.00 0.00 N ATOM 641 CA ARG A 57 -12.923 5.306 -3.188 1.00 0.00 C ATOM 642 C ARG A 57 -11.556 5.217 -2.545 1.00 0.00 C ATOM 643 O ARG A 57 -11.178 4.167 -2.032 1.00 0.00 O ATOM 644 CB ARG A 57 -14.015 5.206 -2.119 1.00 0.00 C ATOM 645 CG ARG A 57 -13.951 6.307 -1.073 1.00 0.00 C ATOM 646 CD ARG A 57 -14.152 7.674 -1.699 1.00 0.00 C ATOM 647 NE ARG A 57 -15.440 7.789 -2.372 1.00 0.00 N ATOM 648 CZ ARG A 57 -15.673 8.598 -3.402 1.00 0.00 C ATOM 649 NH1 ARG A 57 -14.697 9.354 -3.897 1.00 0.00 N ATOM 650 NH2 ARG A 57 -16.882 8.650 -3.937 1.00 0.00 N ATOM 0 H ARG A 57 -13.635 3.451 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 57 -12.998 6.268 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.990 5.235 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.936 4.240 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.715 6.136 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.986 6.275 -0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.078 8.440 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.352 7.865 -2.414 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.210 7.213 -2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.764 9.315 -3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.882 9.972 -4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.632 8.071 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.064 9.269 -4.727 1.00 0.00 H new ATOM 664 N LEU A 58 -10.819 6.320 -2.589 1.00 0.00 N ATOM 665 CA LEU A 58 -9.522 6.402 -1.939 1.00 0.00 C ATOM 666 C LEU A 58 -9.652 6.138 -0.449 1.00 0.00 C ATOM 667 O LEU A 58 -10.208 6.946 0.294 1.00 0.00 O ATOM 668 CB LEU A 58 -8.883 7.772 -2.180 1.00 0.00 C ATOM 669 CG LEU A 58 -8.003 7.857 -3.428 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.677 9.308 -3.754 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.719 7.068 -3.211 1.00 0.00 C ATOM 0 H LEU A 58 -11.102 7.173 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.877 5.637 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.674 8.518 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.282 8.035 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.548 7.428 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.050 9.349 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.601 9.857 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.146 9.759 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.097 7.133 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.177 7.482 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.962 6.024 -3.013 1.00 0.00 H new ATOM 683 N VAL A 59 -9.156 4.989 -0.029 1.00 0.00 N ATOM 684 CA VAL A 59 -9.189 4.612 1.369 1.00 0.00 C ATOM 685 C VAL A 59 -7.890 5.016 2.043 1.00 0.00 C ATOM 686 O VAL A 59 -7.796 5.036 3.270 1.00 0.00 O ATOM 687 CB VAL A 59 -9.420 3.099 1.554 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.722 2.679 0.895 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.256 2.297 0.990 1.00 0.00 C ATOM 0 H VAL A 59 -8.723 4.298 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.027 5.135 1.830 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.486 2.893 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.871 1.608 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.551 3.223 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.680 2.904 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.444 1.233 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.151 2.507 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.338 2.576 1.507 1.00 0.00 H new ATOM 699 N ALA A 60 -6.888 5.316 1.220 1.00 0.00 N ATOM 700 CA ALA A 60 -5.612 5.803 1.705 1.00 0.00 C ATOM 701 C ALA A 60 -4.703 6.217 0.565 1.00 0.00 C ATOM 702 O ALA A 60 -4.585 5.525 -0.446 1.00 0.00 O ATOM 703 CB ALA A 60 -4.919 4.750 2.543 1.00 0.00 C ATOM 0 H ALA A 60 -6.943 5.227 0.205 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.817 6.679 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.963 5.137 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.546 4.495 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.748 3.859 1.939 1.00 0.00 H new ATOM 709 N ILE A 61 -4.080 7.358 0.732 1.00 0.00 N ATOM 710 CA ILE A 61 -2.970 7.758 -0.111 1.00 0.00 C ATOM 711 C ILE A 61 -1.713 7.649 0.726 1.00 0.00 C ATOM 712 O ILE A 61 -1.552 8.373 1.708 1.00 0.00 O ATOM 713 CB ILE A 61 -3.093 9.202 -0.655 1.00 0.00 C ATOM 714 CG1 ILE A 61 -4.387 9.389 -1.455 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.887 9.536 -1.523 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.603 9.671 -0.600 1.00 0.00 C ATOM 0 H ILE A 61 -4.324 8.037 1.453 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.954 7.106 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.124 9.882 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.252 10.210 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.571 8.491 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.982 10.554 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.977 9.453 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.838 8.840 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.478 9.791 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.766 8.840 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.442 10.586 -0.030 1.00 0.00 H new ATOM 728 N CYS A 62 -0.841 6.731 0.377 1.00 0.00 N ATOM 729 CA CYS A 62 0.262 6.400 1.252 1.00 0.00 C ATOM 730 C CYS A 62 1.566 6.333 0.481 1.00 0.00 C ATOM 731 O CYS A 62 1.563 6.192 -0.735 1.00 0.00 O ATOM 732 CB CYS A 62 -0.022 5.060 1.931 1.00 0.00 C ATOM 733 SG CYS A 62 0.982 4.749 3.409 1.00 0.00 S ATOM 0 H CYS A 62 -0.872 6.205 -0.496 1.00 0.00 H new ATOM 0 HA CYS A 62 0.362 7.180 2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.076 5.021 2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.150 4.258 1.213 1.00 0.00 H new ATOM 738 N LYS A 63 2.674 6.456 1.186 1.00 0.00 N ATOM 739 CA LYS A 63 3.985 6.298 0.585 1.00 0.00 C ATOM 740 C LYS A 63 4.996 5.978 1.669 1.00 0.00 C ATOM 741 O LYS A 63 4.732 6.178 2.855 1.00 0.00 O ATOM 742 CB LYS A 63 4.401 7.560 -0.174 1.00 0.00 C ATOM 743 CG LYS A 63 4.644 8.764 0.716 1.00 0.00 C ATOM 744 CD LYS A 63 5.142 9.945 -0.094 1.00 0.00 C ATOM 745 CE LYS A 63 4.022 10.603 -0.881 1.00 0.00 C ATOM 746 NZ LYS A 63 3.006 11.226 0.009 1.00 0.00 N ATOM 0 H LYS A 63 2.692 6.667 2.184 1.00 0.00 H new ATOM 0 HA LYS A 63 3.945 5.479 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.309 7.349 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.626 7.808 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.721 9.034 1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.374 8.511 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.596 10.678 0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.921 9.612 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.441 11.363 -1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.540 9.860 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.452 11.921 -0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.372 10.490 0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.483 11.703 0.800 1.00 0.00 H new ATOM 760 N ASN A 64 6.144 5.466 1.265 1.00 0.00 N ATOM 761 CA ASN A 64 7.175 5.083 2.215 1.00 0.00 C ATOM 762 C ASN A 64 8.068 6.269 2.533 1.00 0.00 C ATOM 763 O ASN A 64 8.419 7.027 1.631 1.00 0.00 O ATOM 764 CB ASN A 64 8.004 3.919 1.669 1.00 0.00 C ATOM 765 CG ASN A 64 9.095 3.479 2.628 1.00 0.00 C ATOM 766 OD1 ASN A 64 8.860 2.681 3.528 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.301 3.981 2.429 1.00 0.00 N ATOM 0 H ASN A 64 6.387 5.305 0.287 1.00 0.00 H new ATOM 0 HA ASN A 64 6.691 4.757 3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.346 3.075 1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.455 4.212 0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.074 3.706 3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.459 4.643 1.669 1.00 0.00 H new ATOM 774 N ALA A 65 8.416 6.417 3.811 1.00 0.00 N ATOM 775 CA ALA A 65 9.177 7.571 4.304 1.00 0.00 C ATOM 776 C ALA A 65 10.343 7.943 3.387 1.00 0.00 C ATOM 777 O ALA A 65 10.452 9.085 2.930 1.00 0.00 O ATOM 778 CB ALA A 65 9.699 7.282 5.702 1.00 0.00 C ATOM 0 H ALA A 65 8.179 5.741 4.537 1.00 0.00 H new ATOM 0 HA ALA A 65 8.496 8.422 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.263 8.141 6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.860 7.090 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.348 6.407 5.674 1.00 0.00 H new ATOM 784 N SER A 66 11.208 6.973 3.127 1.00 0.00 N ATOM 785 CA SER A 66 12.379 7.185 2.290 1.00 0.00 C ATOM 786 C SER A 66 12.140 6.670 0.871 1.00 0.00 C ATOM 787 O SER A 66 11.430 5.686 0.676 1.00 0.00 O ATOM 788 CB SER A 66 13.585 6.471 2.904 1.00 0.00 C ATOM 789 OG SER A 66 13.843 6.942 4.213 1.00 0.00 O ATOM 0 H SER A 66 11.119 6.023 3.488 1.00 0.00 H new ATOM 0 HA SER A 66 12.574 8.256 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.401 5.397 2.930 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.463 6.629 2.278 1.00 0.00 H new ATOM 0 HG SER A 66 14.617 6.469 4.584 1.00 0.00 H new ATOM 795 N PRO A 67 12.725 7.334 -0.139 1.00 0.00 N ATOM 796 CA PRO A 67 12.637 6.903 -1.534 1.00 0.00 C ATOM 797 C PRO A 67 13.741 5.914 -1.918 1.00 0.00 C ATOM 798 O PRO A 67 14.063 5.746 -3.095 1.00 0.00 O ATOM 799 CB PRO A 67 12.803 8.214 -2.292 1.00 0.00 C ATOM 800 CG PRO A 67 13.712 9.034 -1.437 1.00 0.00 C ATOM 801 CD PRO A 67 13.501 8.582 -0.009 1.00 0.00 C ATOM 0 HA PRO A 67 11.709 6.372 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.232 8.048 -3.280 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.844 8.710 -2.440 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.751 8.896 -1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.488 10.095 -1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.450 8.411 0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.960 9.330 0.570 1.00 0.00 H new ATOM 809 N VAL A 68 14.328 5.271 -0.913 1.00 0.00 N ATOM 810 CA VAL A 68 15.390 4.299 -1.138 1.00 0.00 C ATOM 811 C VAL A 68 15.034 2.971 -0.477 1.00 0.00 C ATOM 812 O VAL A 68 14.622 2.027 -1.147 1.00 0.00 O ATOM 813 CB VAL A 68 16.749 4.788 -0.597 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.859 3.879 -1.091 1.00 0.00 C ATOM 815 CG2 VAL A 68 17.014 6.229 -1.008 1.00 0.00 C ATOM 0 H VAL A 68 14.084 5.407 0.068 1.00 0.00 H new ATOM 0 HA VAL A 68 15.483 4.168 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 68 16.721 4.753 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.816 4.230 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.679 2.862 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.881 3.891 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.979 6.548 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.025 6.301 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.228 6.871 -0.610 1.00 0.00 H new ATOM 825 N HIS A 69 15.183 2.906 0.842 1.00 0.00 N ATOM 826 CA HIS A 69 14.801 1.711 1.588 1.00 0.00 C ATOM 827 C HIS A 69 13.372 1.841 2.072 1.00 0.00 C ATOM 828 O HIS A 69 12.819 2.939 2.108 1.00 0.00 O ATOM 829 CB HIS A 69 15.700 1.474 2.804 1.00 0.00 C ATOM 830 CG HIS A 69 17.101 1.063 2.483 1.00 0.00 C ATOM 831 ND1 HIS A 69 17.593 -0.193 2.759 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.127 1.753 1.935 1.00 0.00 C ATOM 833 CE1 HIS A 69 18.859 -0.257 2.397 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.210 0.911 1.895 1.00 0.00 N ATOM 0 H HIS A 69 15.563 3.661 1.414 1.00 0.00 H new ATOM 0 HA HIS A 69 14.908 0.866 0.908 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.732 2.388 3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.246 0.705 3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.099 2.777 1.592 1.00 0.00 H new ATOM 0 HE1 HIS A 69 19.501 -1.120 2.495 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.135 1.149 1.536 1.00 0.00 H new ATOM 843 N CYS A 70 12.799 0.724 2.472 1.00 0.00 N ATOM 844 CA CYS A 70 11.436 0.690 2.962 1.00 0.00 C ATOM 845 C CYS A 70 11.445 0.600 4.482 1.00 0.00 C ATOM 846 O CYS A 70 12.033 -0.319 5.056 1.00 0.00 O ATOM 847 CB CYS A 70 10.674 -0.495 2.353 1.00 0.00 C ATOM 848 SG CYS A 70 8.912 -0.542 2.761 1.00 0.00 S ATOM 0 H CYS A 70 13.264 -0.184 2.467 1.00 0.00 H new ATOM 0 HA CYS A 70 10.926 1.606 2.664 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.782 -0.462 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 70 11.137 -1.422 2.692 1.00 0.00 H new ATOM 0 HG CYS A 70 8.521 0.641 3.133 1.00 0.00 H new ATOM 854 N ASN A 71 10.806 1.567 5.123 1.00 0.00 N ATOM 855 CA ASN A 71 10.771 1.636 6.577 1.00 0.00 C ATOM 856 C ASN A 71 9.339 1.481 7.057 1.00 0.00 C ATOM 857 O ASN A 71 8.924 0.407 7.490 1.00 0.00 O ATOM 858 CB ASN A 71 11.335 2.973 7.085 1.00 0.00 C ATOM 859 CG ASN A 71 12.765 3.235 6.649 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.555 2.311 6.452 1.00 0.00 O ATOM 861 ND2 ASN A 71 13.110 4.504 6.508 1.00 0.00 N ATOM 0 H ASN A 71 10.301 2.320 4.656 1.00 0.00 H new ATOM 0 HA ASN A 71 11.389 0.830 6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.701 3.784 6.728 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.288 2.987 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.060 4.746 6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.426 5.241 6.681 1.00 0.00 H new ATOM 868 N TYR A 72 8.585 2.565 6.957 1.00 0.00 N ATOM 869 CA TYR A 72 7.181 2.566 7.325 1.00 0.00 C ATOM 870 C TYR A 72 6.386 3.290 6.257 1.00 0.00 C ATOM 871 O TYR A 72 6.954 4.007 5.427 1.00 0.00 O ATOM 872 CB TYR A 72 6.957 3.265 8.670 1.00 0.00 C ATOM 873 CG TYR A 72 7.927 2.855 9.757 1.00 0.00 C ATOM 874 CD1 TYR A 72 7.751 1.674 10.462 1.00 0.00 C ATOM 875 CD2 TYR A 72 9.020 3.652 10.074 1.00 0.00 C ATOM 876 CE1 TYR A 72 8.637 1.296 11.451 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.912 3.280 11.062 1.00 0.00 C ATOM 878 CZ TYR A 72 9.714 2.101 11.746 1.00 0.00 C ATOM 879 OH TYR A 72 10.600 1.721 12.729 1.00 0.00 O ATOM 0 H TYR A 72 8.929 3.464 6.620 1.00 0.00 H new ATOM 0 HA TYR A 72 6.852 1.531 7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.030 4.342 8.522 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.942 3.058 9.009 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.907 1.040 10.234 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.175 4.578 9.540 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.486 0.373 11.991 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.758 3.909 11.296 1.00 0.00 H new ATOM 0 HH TYR A 72 11.304 2.397 12.814 1.00 0.00 H new ATOM 889 N LEU A 73 5.082 3.121 6.293 1.00 0.00 N ATOM 890 CA LEU A 73 4.206 3.772 5.340 1.00 0.00 C ATOM 891 C LEU A 73 3.476 4.932 5.996 1.00 0.00 C ATOM 892 O LEU A 73 2.823 4.768 7.030 1.00 0.00 O ATOM 893 CB LEU A 73 3.193 2.782 4.755 1.00 0.00 C ATOM 894 CG LEU A 73 3.741 1.798 3.717 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.604 1.007 3.086 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.528 2.533 2.645 1.00 0.00 C ATOM 0 H LEU A 73 4.602 2.535 6.976 1.00 0.00 H new ATOM 0 HA LEU A 73 4.823 4.153 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.758 2.210 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.383 3.349 4.297 1.00 0.00 H new ATOM 0 HG LEU A 73 4.412 1.104 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.009 0.312 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.075 0.450 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.912 1.692 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.909 1.816 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.878 3.249 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.363 3.062 3.105 1.00 0.00 H new ATOM 908 N LYS A 74 3.611 6.106 5.401 1.00 0.00 N ATOM 909 CA LYS A 74 2.922 7.291 5.880 1.00 0.00 C ATOM 910 C LYS A 74 1.726 7.569 4.982 1.00 0.00 C ATOM 911 O LYS A 74 1.879 8.023 3.846 1.00 0.00 O ATOM 912 CB LYS A 74 3.874 8.497 5.909 1.00 0.00 C ATOM 913 CG LYS A 74 4.756 8.569 7.152 1.00 0.00 C ATOM 914 CD LYS A 74 5.698 7.378 7.266 1.00 0.00 C ATOM 915 CE LYS A 74 6.495 7.422 8.560 1.00 0.00 C ATOM 916 NZ LYS A 74 5.618 7.327 9.760 1.00 0.00 N ATOM 0 H LYS A 74 4.196 6.263 4.580 1.00 0.00 H new ATOM 0 HA LYS A 74 2.574 7.120 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.512 8.463 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.285 9.412 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.340 9.489 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.125 8.616 8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.124 6.453 7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.381 7.370 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.214 6.603 8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.067 8.349 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.194 7.089 10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.143 8.239 9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.904 6.586 9.610 1.00 0.00 H new ATOM 930 N CYS A 75 0.538 7.273 5.486 1.00 0.00 N ATOM 931 CA CYS A 75 -0.671 7.367 4.683 1.00 0.00 C ATOM 932 C CYS A 75 -1.569 8.502 5.162 1.00 0.00 C ATOM 933 O CYS A 75 -1.556 8.863 6.341 1.00 0.00 O ATOM 934 CB CYS A 75 -1.441 6.048 4.747 1.00 0.00 C ATOM 935 SG CYS A 75 -0.385 4.567 4.899 1.00 0.00 S ATOM 0 H CYS A 75 0.385 6.966 6.447 1.00 0.00 H new ATOM 0 HA CYS A 75 -0.375 7.574 3.655 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -2.125 6.081 5.595 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.052 5.954 3.849 1.00 0.00 H new ATOM 940 N THR A 76 -2.339 9.059 4.240 1.00 0.00 N ATOM 941 CA THR A 76 -3.319 10.075 4.564 1.00 0.00 C ATOM 942 C THR A 76 -4.674 9.687 3.968 1.00 0.00 C ATOM 943 O THR A 76 -4.736 8.831 3.077 1.00 0.00 O ATOM 944 CB THR A 76 -2.878 11.469 4.048 1.00 0.00 C ATOM 945 OG1 THR A 76 -3.755 12.489 4.547 1.00 0.00 O ATOM 946 CG2 THR A 76 -2.861 11.517 2.527 1.00 0.00 C ATOM 0 H THR A 76 -2.300 8.818 3.250 1.00 0.00 H new ATOM 0 HA THR A 76 -3.406 10.139 5.649 1.00 0.00 H new ATOM 0 HB THR A 76 -1.867 11.648 4.413 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.463 13.363 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.548 12.508 2.198 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.163 10.771 2.147 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.860 11.307 2.145 1.00 0.00 H new ATOM 954 N ASN A 77 -5.744 10.300 4.478 1.00 0.00 N ATOM 955 CA ASN A 77 -7.112 10.038 4.009 1.00 0.00 C ATOM 956 C ASN A 77 -7.534 8.603 4.294 1.00 0.00 C ATOM 957 O ASN A 77 -8.183 7.963 3.466 1.00 0.00 O ATOM 958 CB ASN A 77 -7.265 10.335 2.510 1.00 0.00 C ATOM 959 CG ASN A 77 -7.308 11.819 2.198 1.00 0.00 C ATOM 960 OD1 ASN A 77 -6.702 12.634 2.892 1.00 0.00 O ATOM 961 ND2 ASN A 77 -8.022 12.182 1.142 1.00 0.00 N ATOM 0 H ASN A 77 -5.690 10.991 5.226 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.766 10.711 4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.435 9.880 1.969 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.179 9.866 2.144 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.082 13.166 0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.511 11.477 0.590 1.00 0.00 H new ATOM 968 N LEU A 78 -7.177 8.112 5.474 1.00 0.00 N ATOM 969 CA LEU A 78 -7.507 6.747 5.875 1.00 0.00 C ATOM 970 C LEU A 78 -9.015 6.570 6.020 1.00 0.00 C ATOM 971 O LEU A 78 -9.728 7.503 6.405 1.00 0.00 O ATOM 972 CB LEU A 78 -6.811 6.402 7.193 1.00 0.00 C ATOM 973 CG LEU A 78 -5.285 6.318 7.119 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.690 6.194 8.511 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.859 5.139 6.257 1.00 0.00 C ATOM 0 H LEU A 78 -6.656 8.640 6.174 1.00 0.00 H new ATOM 0 HA LEU A 78 -7.156 6.070 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.082 7.152 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.195 5.446 7.549 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.912 7.235 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.604 6.135 8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.968 7.065 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.071 5.292 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.771 5.094 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.244 4.215 6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.256 5.263 5.250 1.00 0.00 H new ATOM 987 N ALA A 79 -9.498 5.373 5.710 1.00 0.00 N ATOM 988 CA ALA A 79 -10.924 5.094 5.759 1.00 0.00 C ATOM 989 C ALA A 79 -11.267 4.143 6.904 1.00 0.00 C ATOM 990 O ALA A 79 -11.658 2.998 6.678 1.00 0.00 O ATOM 991 CB ALA A 79 -11.403 4.540 4.420 1.00 0.00 C ATOM 0 H ALA A 79 -8.922 4.582 5.422 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.447 6.031 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.472 4.336 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.211 5.271 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.868 3.617 4.196 1.00 0.00 H new ATOM 997 N ALA A 80 -11.097 4.635 8.133 1.00 0.00 N ATOM 998 CA ALA A 80 -11.486 3.914 9.351 1.00 0.00 C ATOM 999 C ALA A 80 -10.753 2.580 9.512 1.00 0.00 C ATOM 1000 O ALA A 80 -9.681 2.520 10.121 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.997 3.706 9.389 1.00 0.00 C ATOM 0 H ALA A 80 -10.684 5.550 8.314 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.189 4.537 10.195 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.268 3.170 10.299 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.498 4.674 9.375 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.306 3.125 8.520 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.336 1.516 8.971 1.00 0.00 N ATOM 1008 CA GLY A 81 -10.734 0.201 9.069 1.00 0.00 C ATOM 1009 C GLY A 81 -9.679 -0.012 8.008 1.00 0.00 C ATOM 1010 O GLY A 81 -8.855 -0.918 8.109 1.00 0.00 O ATOM 0 H GLY A 81 -12.220 1.542 8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.288 0.078 10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.507 -0.561 8.972 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.705 0.832 6.988 1.00 0.00 N ATOM 1015 CA PHE A 82 -8.725 0.765 5.922 1.00 0.00 C ATOM 1016 C PHE A 82 -7.471 1.540 6.302 1.00 0.00 C ATOM 1017 O PHE A 82 -7.470 2.771 6.347 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.298 1.315 4.618 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.414 0.493 4.038 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.139 -0.577 3.201 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -11.734 0.798 4.318 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -11.162 -1.330 2.659 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -12.762 0.049 3.778 1.00 0.00 C ATOM 1024 CZ PHE A 82 -12.477 -1.015 2.946 1.00 0.00 C ATOM 0 H PHE A 82 -10.398 1.573 6.878 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.465 -0.283 5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.661 2.328 4.793 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.496 1.387 3.884 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.113 -0.825 2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.964 1.631 4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.935 -2.164 2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -13.788 0.296 4.007 1.00 0.00 H new ATOM 0 HZ PHE A 82 -13.279 -1.600 2.520 1.00 0.00 H new ATOM 1034 N SER A 83 -6.420 0.806 6.601 1.00 0.00 N ATOM 1035 CA SER A 83 -5.119 1.383 6.881 1.00 0.00 C ATOM 1036 C SER A 83 -4.082 0.587 6.111 1.00 0.00 C ATOM 1037 O SER A 83 -4.384 -0.492 5.632 1.00 0.00 O ATOM 1038 CB SER A 83 -4.829 1.326 8.379 1.00 0.00 C ATOM 1039 OG SER A 83 -5.928 1.824 9.126 1.00 0.00 O ATOM 0 H SER A 83 -6.443 -0.212 6.657 1.00 0.00 H new ATOM 0 HA SER A 83 -5.093 2.429 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.619 0.298 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.937 1.910 8.603 1.00 0.00 H new ATOM 0 HG SER A 83 -5.721 1.777 10.083 1.00 0.00 H new ATOM 1045 N ALA A 84 -2.877 1.093 5.978 1.00 0.00 N ATOM 1046 CA ALA A 84 -1.878 0.397 5.180 1.00 0.00 C ATOM 1047 C ALA A 84 -0.896 -0.360 6.068 1.00 0.00 C ATOM 1048 O ALA A 84 -0.777 -0.075 7.263 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.145 1.370 4.274 1.00 0.00 C ATOM 0 H ALA A 84 -2.563 1.967 6.401 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.394 -0.332 4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.403 0.831 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.858 1.852 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.647 2.127 4.880 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.192 -1.313 5.474 1.00 0.00 N ATOM 1056 CA GLY A 85 0.702 -2.164 6.231 1.00 0.00 C ATOM 1057 C GLY A 85 2.004 -2.444 5.505 1.00 0.00 C ATOM 1058 O GLY A 85 2.340 -1.770 4.532 1.00 0.00 O ATOM 0 H GLY A 85 -0.225 -1.512 4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.920 -1.693 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.202 -3.108 6.447 1.00 0.00 H new ATOM 1062 N THR A 86 2.716 -3.460 5.976 1.00 0.00 N ATOM 1063 CA THR A 86 4.026 -3.824 5.442 1.00 0.00 C ATOM 1064 C THR A 86 3.910 -4.405 4.022 1.00 0.00 C ATOM 1065 O THR A 86 2.819 -4.477 3.455 1.00 0.00 O ATOM 1066 CB THR A 86 4.714 -4.844 6.382 1.00 0.00 C ATOM 1067 OG1 THR A 86 6.081 -5.054 5.992 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.967 -6.168 6.381 1.00 0.00 C ATOM 0 H THR A 86 2.402 -4.057 6.741 1.00 0.00 H new ATOM 0 HA THR A 86 4.632 -2.920 5.385 1.00 0.00 H new ATOM 0 HB THR A 86 4.696 -4.433 7.391 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.499 -5.700 6.599 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.468 -6.869 7.048 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.944 -6.009 6.723 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.952 -6.576 5.371 1.00 0.00 H new ATOM 1076 N SER A 87 5.037 -4.820 3.460 1.00 0.00 N ATOM 1077 CA SER A 87 5.088 -5.299 2.087 1.00 0.00 C ATOM 1078 C SER A 87 5.627 -6.725 2.027 1.00 0.00 C ATOM 1079 O SER A 87 6.409 -7.133 2.884 1.00 0.00 O ATOM 1080 CB SER A 87 5.962 -4.362 1.259 1.00 0.00 C ATOM 1081 OG SER A 87 7.199 -4.109 1.908 1.00 0.00 O ATOM 0 H SER A 87 5.937 -4.834 3.940 1.00 0.00 H new ATOM 0 HA SER A 87 4.078 -5.309 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.146 -4.802 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.436 -3.422 1.093 1.00 0.00 H new ATOM 0 HG SER A 87 7.863 -3.824 1.246 1.00 0.00 H new ATOM 1087 N THR A 88 5.211 -7.476 1.011 1.00 0.00 N ATOM 1088 CA THR A 88 5.604 -8.873 0.872 1.00 0.00 C ATOM 1089 C THR A 88 5.901 -9.208 -0.586 1.00 0.00 C ATOM 1090 O THR A 88 6.219 -8.326 -1.384 1.00 0.00 O ATOM 1091 CB THR A 88 4.495 -9.818 1.367 1.00 0.00 C ATOM 1092 OG1 THR A 88 3.279 -9.573 0.648 1.00 0.00 O ATOM 1093 CG2 THR A 88 4.254 -9.657 2.860 1.00 0.00 C ATOM 0 H THR A 88 4.599 -7.137 0.269 1.00 0.00 H new ATOM 0 HA THR A 88 6.499 -9.013 1.478 1.00 0.00 H new ATOM 0 HB THR A 88 4.823 -10.841 1.185 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.115 -8.608 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.465 -10.339 3.177 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.171 -9.886 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 88 3.953 -8.631 3.071 1.00 0.00 H new ATOM 1101 N ASP A 89 5.808 -10.495 -0.905 1.00 0.00 N ATOM 1102 CA ASP A 89 5.904 -11.006 -2.272 1.00 0.00 C ATOM 1103 C ASP A 89 7.292 -10.800 -2.865 1.00 0.00 C ATOM 1104 O ASP A 89 8.111 -11.719 -2.865 1.00 0.00 O ATOM 1105 CB ASP A 89 4.830 -10.382 -3.168 1.00 0.00 C ATOM 1106 CG ASP A 89 4.878 -10.897 -4.594 1.00 0.00 C ATOM 1107 OD1 ASP A 89 4.552 -12.084 -4.815 1.00 0.00 O ATOM 1108 OD2 ASP A 89 5.242 -10.116 -5.497 1.00 0.00 O ATOM 0 H ASP A 89 5.661 -11.227 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 89 5.730 -12.081 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.847 -10.589 -2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.953 -9.299 -3.174 1.00 0.00 H new ATOM 1113 N VAL A 90 7.569 -9.592 -3.337 1.00 0.00 N ATOM 1114 CA VAL A 90 8.824 -9.316 -4.019 1.00 0.00 C ATOM 1115 C VAL A 90 10.014 -9.396 -3.067 1.00 0.00 C ATOM 1116 O VAL A 90 11.057 -9.946 -3.413 1.00 0.00 O ATOM 1117 CB VAL A 90 8.817 -7.952 -4.750 1.00 0.00 C ATOM 1118 CG1 VAL A 90 7.976 -8.049 -6.009 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.284 -6.839 -3.860 1.00 0.00 C ATOM 0 H VAL A 90 6.943 -8.790 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 90 8.930 -10.095 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 90 9.847 -7.707 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.974 -7.086 -6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.395 -8.809 -6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.954 -8.321 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.295 -5.897 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.263 -7.072 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.912 -6.750 -2.974 1.00 0.00 H new ATOM 1129 N LEU A 91 9.851 -8.864 -1.864 1.00 0.00 N ATOM 1130 CA LEU A 91 10.927 -8.880 -0.882 1.00 0.00 C ATOM 1131 C LEU A 91 10.882 -10.137 -0.013 1.00 0.00 C ATOM 1132 O LEU A 91 11.919 -10.728 0.290 1.00 0.00 O ATOM 1133 CB LEU A 91 10.880 -7.630 0.004 1.00 0.00 C ATOM 1134 CG LEU A 91 9.542 -7.363 0.696 1.00 0.00 C ATOM 1135 CD1 LEU A 91 9.763 -6.643 2.016 1.00 0.00 C ATOM 1136 CD2 LEU A 91 8.635 -6.537 -0.199 1.00 0.00 C ATOM 0 H LEU A 91 8.990 -8.419 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 91 11.865 -8.885 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.653 -7.718 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.133 -6.763 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 91 9.062 -8.321 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.802 -6.460 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.383 -7.259 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.263 -5.692 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.688 -6.357 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.114 -5.584 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.451 -7.077 -1.128 1.00 0.00 H new ATOM 1148 N SER A 92 9.684 -10.540 0.386 1.00 0.00 N ATOM 1149 CA SER A 92 9.526 -11.619 1.351 1.00 0.00 C ATOM 1150 C SER A 92 9.742 -12.995 0.719 1.00 0.00 C ATOM 1151 O SER A 92 10.373 -13.854 1.329 1.00 0.00 O ATOM 1152 CB SER A 92 8.140 -11.535 1.979 1.00 0.00 C ATOM 1153 OG SER A 92 7.863 -10.211 2.406 1.00 0.00 O ATOM 0 H SER A 92 8.807 -10.136 0.057 1.00 0.00 H new ATOM 0 HA SER A 92 10.290 -11.499 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.388 -11.855 1.257 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.078 -12.217 2.827 1.00 0.00 H new ATOM 0 HG SER A 92 7.395 -10.236 3.267 1.00 0.00 H new