USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 42 MET CE :methyl -145:sc= -0.0865 (180deg=-0.529) USER MOD Set 1.2: A 45 ASN : amide:sc= -1.63 X(o=-1.7,f=-1.7!) USER MOD Single : A 3 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.28) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 17 SER OG : rot -70:sc= 1.06 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc=-0.00382 (180deg=-0.208) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.22) USER MOD Single : A 31 SER OG : rot 180:sc=-0.00588 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.118 (180deg=-0.693) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.96 F(o=-1.8!,f=-0.96) USER MOD Single : A 46 THR OG1 : rot -140:sc= 0.391 USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= -0.105 (180deg=-1.27!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.274 F(o=-1.8,f=-0.27) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0293 (180deg=-0.327) USER MOD Single : A 65 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.114 (180deg=-0.603) USER MOD Single : A 72 TYR OH : rot 150:sc= -0.896 USER MOD Single : A 75 LYS NZ :NH3+ 155:sc= -0.618 (180deg=-1.79!) USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= -0.0246 (180deg=-0.299) USER MOD Single : A 82 BME O1 : rot 39:sc= 0.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 -4.275 -11.722 2.672 1.00 0.00 N ATOM 2 CA ASN A 3 -3.362 -12.339 1.665 1.00 0.00 C ATOM 3 C ASN A 3 -3.137 -11.382 0.488 1.00 0.00 C ATOM 4 O ASN A 3 -3.833 -10.391 0.371 1.00 0.00 O ATOM 5 CB ASN A 3 -3.994 -13.659 1.171 1.00 0.00 C ATOM 6 CG ASN A 3 -5.390 -13.403 0.582 1.00 0.00 C ATOM 7 OD1 ASN A 3 -6.308 -12.998 1.267 1.00 0.00 O ATOM 8 ND2 ASN A 3 -5.584 -13.629 -0.688 1.00 0.00 N ATOM 0 HA ASN A 3 -2.394 -12.542 2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.353 -14.115 0.417 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.066 -14.366 1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.502 -13.466 -1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.817 -13.969 -1.268 1.00 0.00 H new ATOM 15 N ALA A 4 -2.177 -11.710 -0.345 1.00 0.00 N ATOM 16 CA ALA A 4 -1.820 -10.916 -1.531 1.00 0.00 C ATOM 17 C ALA A 4 -1.360 -9.484 -1.328 1.00 0.00 C ATOM 18 O ALA A 4 -1.693 -8.818 -0.368 1.00 0.00 O ATOM 19 CB ALA A 4 -3.010 -10.910 -2.501 1.00 0.00 C ATOM 0 H ALA A 4 -1.604 -12.546 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.933 -11.422 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.756 -10.324 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.242 -11.933 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.878 -10.469 -2.010 1.00 0.00 H new ATOM 25 N PRO A 5 -0.576 -9.072 -2.299 1.00 0.00 N ATOM 26 CA PRO A 5 -0.008 -7.714 -2.380 1.00 0.00 C ATOM 27 C PRO A 5 -1.056 -6.620 -2.150 1.00 0.00 C ATOM 28 O PRO A 5 -2.048 -6.525 -2.847 1.00 0.00 O ATOM 29 CB PRO A 5 0.661 -7.679 -3.778 1.00 0.00 C ATOM 30 CG PRO A 5 0.056 -8.852 -4.543 1.00 0.00 C ATOM 31 CD PRO A 5 -0.158 -9.902 -3.465 1.00 0.00 C ATOM 0 HA PRO A 5 0.714 -7.505 -1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.463 -6.735 -4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.744 -7.778 -3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.881 -8.576 -5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.725 -9.210 -5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.924 -10.625 -3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.752 -10.466 -3.259 1.00 0.00 H new ATOM 39 N LYS A 6 -0.753 -5.838 -1.150 1.00 0.00 N ATOM 40 CA LYS A 6 -1.618 -4.692 -0.723 1.00 0.00 C ATOM 41 C LYS A 6 -1.026 -3.341 -1.171 1.00 0.00 C ATOM 42 O LYS A 6 -0.126 -2.800 -0.560 1.00 0.00 O ATOM 43 CB LYS A 6 -1.754 -4.792 0.822 1.00 0.00 C ATOM 44 CG LYS A 6 -2.780 -3.780 1.413 1.00 0.00 C ATOM 45 CD LYS A 6 -2.083 -2.501 1.947 1.00 0.00 C ATOM 46 CE LYS A 6 -3.125 -1.624 2.675 1.00 0.00 C ATOM 47 NZ LYS A 6 -2.465 -0.432 3.280 1.00 0.00 N ATOM 0 H LYS A 6 0.091 -5.949 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.600 -4.745 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.057 -5.805 1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.779 -4.620 1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.504 -3.506 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.336 -4.256 2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.276 -2.769 2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.634 -1.946 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.896 -1.305 1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.622 -2.206 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.177 0.149 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.746 -0.743 3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.011 0.130 2.532 1.00 0.00 H new ATOM 61 N ARG A 7 -1.587 -2.863 -2.256 1.00 0.00 N ATOM 62 CA ARG A 7 -1.194 -1.565 -2.897 1.00 0.00 C ATOM 63 C ARG A 7 -1.410 -0.355 -1.941 1.00 0.00 C ATOM 64 O ARG A 7 -2.545 -0.009 -1.677 1.00 0.00 O ATOM 65 CB ARG A 7 -2.044 -1.439 -4.193 1.00 0.00 C ATOM 66 CG ARG A 7 -1.871 -0.058 -4.892 1.00 0.00 C ATOM 67 CD ARG A 7 -1.437 -0.232 -6.364 1.00 0.00 C ATOM 68 NE ARG A 7 -2.428 -1.100 -7.084 1.00 0.00 N ATOM 69 CZ ARG A 7 -3.074 -0.691 -8.150 1.00 0.00 C ATOM 70 NH1 ARG A 7 -2.576 0.242 -8.916 1.00 0.00 N ATOM 71 NH2 ARG A 7 -4.221 -1.248 -8.424 1.00 0.00 N ATOM 0 H ARG A 7 -2.340 -3.345 -2.747 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.129 -1.557 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.761 -2.231 -4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.096 -1.589 -3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.809 0.495 -4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.127 0.533 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.370 0.741 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.445 -0.681 -6.410 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.605 -2.041 -6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.675 0.662 -8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.088 0.551 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.591 -1.979 -7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.748 -0.952 -9.246 1.00 0.00 H new ATOM 85 N PRO A 8 -0.347 0.253 -1.447 1.00 0.00 N ATOM 86 CA PRO A 8 -0.420 1.398 -0.484 1.00 0.00 C ATOM 87 C PRO A 8 -0.786 2.757 -1.155 1.00 0.00 C ATOM 88 O PRO A 8 -1.023 2.781 -2.346 1.00 0.00 O ATOM 89 CB PRO A 8 0.965 1.389 0.153 1.00 0.00 C ATOM 90 CG PRO A 8 1.860 1.032 -1.053 1.00 0.00 C ATOM 91 CD PRO A 8 1.076 -0.098 -1.749 1.00 0.00 C ATOM 0 HA PRO A 8 -1.223 1.285 0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.224 2.356 0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.043 0.653 0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.006 1.887 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.849 0.701 -0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.268 -0.123 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.343 -1.078 -1.355 1.00 0.00 H new ATOM 99 N PRO A 9 -0.832 3.826 -0.374 1.00 0.00 N ATOM 100 CA PRO A 9 -0.768 5.259 -0.819 1.00 0.00 C ATOM 101 C PRO A 9 -0.070 5.635 -2.151 1.00 0.00 C ATOM 102 O PRO A 9 0.498 4.803 -2.831 1.00 0.00 O ATOM 103 CB PRO A 9 -0.144 5.980 0.415 1.00 0.00 C ATOM 104 CG PRO A 9 0.082 4.863 1.482 1.00 0.00 C ATOM 105 CD PRO A 9 -0.944 3.796 1.110 1.00 0.00 C ATOM 0 HA PRO A 9 -1.774 5.569 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.795 6.467 0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.809 6.756 0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.099 4.472 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.078 5.237 2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.697 2.819 1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.947 4.045 1.456 1.00 0.00 H new ATOM 113 N SER A 10 -0.138 6.909 -2.468 1.00 0.00 N ATOM 114 CA SER A 10 0.478 7.451 -3.731 1.00 0.00 C ATOM 115 C SER A 10 1.681 8.399 -3.534 1.00 0.00 C ATOM 116 O SER A 10 2.782 8.081 -3.935 1.00 0.00 O ATOM 117 CB SER A 10 -0.639 8.177 -4.521 1.00 0.00 C ATOM 118 OG SER A 10 -1.175 9.145 -3.628 1.00 0.00 O ATOM 0 H SER A 10 -0.604 7.612 -1.894 1.00 0.00 H new ATOM 0 HA SER A 10 0.892 6.598 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.240 8.650 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.408 7.476 -4.846 1.00 0.00 H new ATOM 0 HG SER A 10 -1.891 9.642 -4.076 1.00 0.00 H new ATOM 124 N ALA A 11 1.420 9.525 -2.922 1.00 0.00 N ATOM 125 CA ALA A 11 2.426 10.589 -2.634 1.00 0.00 C ATOM 126 C ALA A 11 1.602 11.767 -2.118 1.00 0.00 C ATOM 127 O ALA A 11 1.996 12.441 -1.187 1.00 0.00 O ATOM 128 CB ALA A 11 3.161 11.039 -3.892 1.00 0.00 C ATOM 0 H ALA A 11 0.485 9.761 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 11 3.179 10.225 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.883 11.814 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.683 10.189 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.444 11.436 -4.610 1.00 0.00 H new ATOM 134 N PHE A 12 0.464 11.981 -2.743 1.00 0.00 N ATOM 135 CA PHE A 12 -0.391 13.099 -2.302 1.00 0.00 C ATOM 136 C PHE A 12 -1.241 12.587 -1.163 1.00 0.00 C ATOM 137 O PHE A 12 -1.937 13.350 -0.541 1.00 0.00 O ATOM 138 CB PHE A 12 -1.228 13.587 -3.505 1.00 0.00 C ATOM 139 CG PHE A 12 -2.657 13.118 -3.759 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.676 13.464 -2.900 1.00 0.00 C ATOM 141 CD2 PHE A 12 -2.949 12.380 -4.886 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.970 13.090 -3.150 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.245 12.007 -5.143 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.263 12.355 -4.278 1.00 0.00 C ATOM 0 H PHE A 12 0.107 11.432 -3.525 1.00 0.00 H new ATOM 0 HA PHE A 12 0.184 13.954 -1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.265 14.674 -3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.657 13.343 -4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.451 14.040 -2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.159 12.096 -5.566 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.757 13.370 -2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.470 11.435 -6.031 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.280 12.054 -4.484 1.00 0.00 H new ATOM 154 N PHE A 13 -1.165 11.307 -0.889 1.00 0.00 N ATOM 155 CA PHE A 13 -1.979 10.752 0.230 1.00 0.00 C ATOM 156 C PHE A 13 -1.439 11.374 1.535 1.00 0.00 C ATOM 157 O PHE A 13 -2.202 11.703 2.423 1.00 0.00 O ATOM 158 CB PHE A 13 -1.833 9.222 0.250 1.00 0.00 C ATOM 159 CG PHE A 13 -2.992 8.658 1.092 1.00 0.00 C ATOM 160 CD1 PHE A 13 -2.978 8.724 2.475 1.00 0.00 C ATOM 161 CD2 PHE A 13 -4.083 8.088 0.461 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.039 8.231 3.208 1.00 0.00 C ATOM 163 CE2 PHE A 13 -5.142 7.596 1.192 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.123 7.669 2.567 1.00 0.00 C ATOM 0 H PHE A 13 -0.582 10.633 -1.386 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.037 10.987 0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.864 8.821 -0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.873 8.934 0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.132 9.164 2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.105 8.028 -0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.020 8.286 4.286 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.987 7.153 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.954 7.287 3.141 1.00 0.00 H new ATOM 174 N LEU A 14 -0.136 11.528 1.624 1.00 0.00 N ATOM 175 CA LEU A 14 0.463 12.132 2.861 1.00 0.00 C ATOM 176 C LEU A 14 -0.172 13.538 2.968 1.00 0.00 C ATOM 177 O LEU A 14 -0.816 13.892 3.935 1.00 0.00 O ATOM 178 CB LEU A 14 2.011 12.249 2.715 1.00 0.00 C ATOM 179 CG LEU A 14 2.807 10.891 2.577 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.366 9.812 3.599 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.784 10.334 1.138 1.00 0.00 C ATOM 0 H LEU A 14 0.533 11.264 0.901 1.00 0.00 H new ATOM 0 HA LEU A 14 0.272 11.525 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.226 12.862 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.397 12.785 3.582 1.00 0.00 H new ATOM 0 HG LEU A 14 3.840 11.145 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.953 8.906 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.525 10.183 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.309 9.587 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.346 9.401 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.753 10.150 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.237 11.058 0.460 1.00 0.00 H new ATOM 193 N PHE A 15 0.047 14.302 1.932 1.00 0.00 N ATOM 194 CA PHE A 15 -0.482 15.697 1.807 1.00 0.00 C ATOM 195 C PHE A 15 -1.972 15.708 2.261 1.00 0.00 C ATOM 196 O PHE A 15 -2.378 16.436 3.147 1.00 0.00 O ATOM 197 CB PHE A 15 -0.196 16.026 0.313 1.00 0.00 C ATOM 198 CG PHE A 15 -1.010 17.129 -0.369 1.00 0.00 C ATOM 199 CD1 PHE A 15 -0.692 18.465 -0.211 1.00 0.00 C ATOM 200 CD2 PHE A 15 -2.068 16.774 -1.189 1.00 0.00 C ATOM 201 CE1 PHE A 15 -1.424 19.431 -0.873 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.795 17.739 -1.848 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.474 19.067 -1.689 1.00 0.00 C ATOM 0 H PHE A 15 0.598 14.002 1.128 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.031 16.464 2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.857 16.294 0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.338 15.109 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.128 18.753 0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.324 15.732 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.173 20.474 -0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.616 17.454 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.045 19.825 -2.204 1.00 0.00 H new ATOM 213 N CYS A 16 -2.725 14.865 1.610 1.00 0.00 N ATOM 214 CA CYS A 16 -4.187 14.675 1.852 1.00 0.00 C ATOM 215 C CYS A 16 -4.531 14.524 3.329 1.00 0.00 C ATOM 216 O CYS A 16 -5.431 15.180 3.807 1.00 0.00 O ATOM 217 CB CYS A 16 -4.656 13.427 1.064 1.00 0.00 C ATOM 218 SG CYS A 16 -6.401 12.953 1.155 1.00 0.00 S ATOM 0 H CYS A 16 -2.361 14.262 0.873 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.705 15.570 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.410 13.586 0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.064 12.578 1.405 1.00 0.00 H new ATOM 223 N SER A 17 -3.822 13.666 4.024 1.00 0.00 N ATOM 224 CA SER A 17 -4.120 13.486 5.476 1.00 0.00 C ATOM 225 C SER A 17 -4.011 14.831 6.215 1.00 0.00 C ATOM 226 O SER A 17 -4.824 15.157 7.058 1.00 0.00 O ATOM 227 CB SER A 17 -3.135 12.463 6.094 1.00 0.00 C ATOM 228 OG SER A 17 -1.856 13.078 6.119 1.00 0.00 O ATOM 0 H SER A 17 -3.063 13.093 3.655 1.00 0.00 H new ATOM 0 HA SER A 17 -5.138 13.111 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.449 12.186 7.100 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.110 11.547 5.504 1.00 0.00 H new ATOM 0 HG SER A 17 -1.513 13.158 5.204 1.00 0.00 H new ATOM 234 N GLU A 18 -2.986 15.563 5.851 1.00 0.00 N ATOM 235 CA GLU A 18 -2.716 16.905 6.458 1.00 0.00 C ATOM 236 C GLU A 18 -3.728 17.968 5.960 1.00 0.00 C ATOM 237 O GLU A 18 -3.771 19.075 6.462 1.00 0.00 O ATOM 238 CB GLU A 18 -1.272 17.276 6.079 1.00 0.00 C ATOM 239 CG GLU A 18 -0.811 18.559 6.812 1.00 0.00 C ATOM 240 CD GLU A 18 0.675 18.829 6.488 1.00 0.00 C ATOM 241 OE1 GLU A 18 1.484 18.003 6.881 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.917 19.847 5.862 1.00 0.00 O ATOM 0 H GLU A 18 -2.310 15.280 5.142 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.833 16.871 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.605 16.452 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.203 17.425 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.422 19.407 6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.945 18.445 7.888 1.00 0.00 H new ATOM 249 N TYR A 19 -4.516 17.585 4.990 1.00 0.00 N ATOM 250 CA TYR A 19 -5.554 18.477 4.384 1.00 0.00 C ATOM 251 C TYR A 19 -6.936 18.194 4.937 1.00 0.00 C ATOM 252 O TYR A 19 -7.729 19.105 5.078 1.00 0.00 O ATOM 253 CB TYR A 19 -5.579 18.266 2.870 1.00 0.00 C ATOM 254 CG TYR A 19 -4.782 19.385 2.223 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.407 19.391 2.315 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.421 20.392 1.541 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.680 20.395 1.731 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.698 21.397 0.958 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.319 21.409 1.045 1.00 0.00 C ATOM 260 OH TYR A 19 -2.592 22.424 0.455 1.00 0.00 O ATOM 0 H TYR A 19 -4.482 16.653 4.576 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.291 19.506 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.151 17.297 2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.605 18.268 2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.900 18.601 2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.498 20.390 1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.603 20.393 1.808 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.209 22.186 0.426 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.203 23.051 0.014 1.00 0.00 H new ATOM 270 N ARG A 20 -7.164 16.930 5.204 1.00 0.00 N ATOM 271 CA ARG A 20 -8.452 16.424 5.756 1.00 0.00 C ATOM 272 C ARG A 20 -9.226 17.535 6.483 1.00 0.00 C ATOM 273 O ARG A 20 -10.290 17.879 6.027 1.00 0.00 O ATOM 274 CB ARG A 20 -8.127 15.198 6.696 1.00 0.00 C ATOM 275 CG ARG A 20 -9.438 14.544 7.189 1.00 0.00 C ATOM 276 CD ARG A 20 -9.130 13.206 7.907 1.00 0.00 C ATOM 277 NE ARG A 20 -8.314 13.464 9.133 1.00 0.00 N ATOM 278 CZ ARG A 20 -8.735 13.036 10.293 1.00 0.00 C ATOM 279 NH1 ARG A 20 -8.501 11.796 10.628 1.00 0.00 N ATOM 280 NH2 ARG A 20 -9.375 13.858 11.077 1.00 0.00 N ATOM 0 H ARG A 20 -6.471 16.197 5.052 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.107 16.094 4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.527 14.465 6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.534 15.530 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.957 15.219 7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.105 14.367 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.060 12.705 8.177 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.592 12.538 7.235 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.432 13.972 9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.998 11.181 9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.821 11.442 11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.541 14.820 10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.710 13.539 11.986 1.00 0.00 H new ATOM 294 N PRO A 21 -8.712 18.115 7.546 1.00 0.00 N ATOM 295 CA PRO A 21 -9.539 18.920 8.487 1.00 0.00 C ATOM 296 C PRO A 21 -10.105 20.159 7.770 1.00 0.00 C ATOM 297 O PRO A 21 -11.241 20.538 7.974 1.00 0.00 O ATOM 298 CB PRO A 21 -8.568 19.243 9.635 1.00 0.00 C ATOM 299 CG PRO A 21 -7.483 18.142 9.506 1.00 0.00 C ATOM 300 CD PRO A 21 -7.291 18.088 7.997 1.00 0.00 C ATOM 0 HA PRO A 21 -10.423 18.408 8.866 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.142 20.241 9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.065 19.206 10.604 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.564 18.408 10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.816 17.187 9.912 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.719 18.936 7.620 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.771 17.185 7.677 1.00 0.00 H new ATOM 308 N LYS A 22 -9.271 20.739 6.944 1.00 0.00 N ATOM 309 CA LYS A 22 -9.658 21.956 6.167 1.00 0.00 C ATOM 310 C LYS A 22 -10.743 21.730 5.101 1.00 0.00 C ATOM 311 O LYS A 22 -11.554 22.612 4.900 1.00 0.00 O ATOM 312 CB LYS A 22 -8.413 22.546 5.460 1.00 0.00 C ATOM 313 CG LYS A 22 -7.418 23.175 6.470 1.00 0.00 C ATOM 314 CD LYS A 22 -6.187 22.265 6.682 1.00 0.00 C ATOM 315 CE LYS A 22 -5.154 23.007 7.556 1.00 0.00 C ATOM 316 NZ LYS A 22 -5.721 23.303 8.902 1.00 0.00 N ATOM 0 H LYS A 22 -8.320 20.414 6.772 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.078 22.637 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.910 21.761 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.728 23.303 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.094 24.150 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.920 23.341 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.486 21.334 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.745 22.000 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.255 22.400 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.857 23.936 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.960 23.614 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.434 24.056 8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.166 22.446 9.288 1.00 0.00 H new ATOM 330 N ILE A 23 -10.769 20.587 4.454 1.00 0.00 N ATOM 331 CA ILE A 23 -11.827 20.378 3.404 1.00 0.00 C ATOM 332 C ILE A 23 -13.008 19.621 3.975 1.00 0.00 C ATOM 333 O ILE A 23 -14.103 19.643 3.453 1.00 0.00 O ATOM 334 CB ILE A 23 -11.242 19.595 2.188 1.00 0.00 C ATOM 335 CG1 ILE A 23 -10.013 18.718 2.553 1.00 0.00 C ATOM 336 CG2 ILE A 23 -10.852 20.630 1.123 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.788 17.715 1.417 1.00 0.00 C ATOM 0 H ILE A 23 -10.125 19.809 4.599 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.166 21.358 3.069 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.001 18.902 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.129 19.341 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.185 18.195 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.437 20.119 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.735 21.195 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.107 21.311 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.928 17.087 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.674 17.090 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.601 18.253 0.488 1.00 0.00 H new ATOM 349 N LYS A 24 -12.709 18.965 5.048 1.00 0.00 N ATOM 350 CA LYS A 24 -13.686 18.153 5.809 1.00 0.00 C ATOM 351 C LYS A 24 -14.481 19.091 6.736 1.00 0.00 C ATOM 352 O LYS A 24 -15.543 18.739 7.210 1.00 0.00 O ATOM 353 CB LYS A 24 -12.878 17.148 6.592 1.00 0.00 C ATOM 354 CG LYS A 24 -13.748 16.089 7.324 1.00 0.00 C ATOM 355 CD LYS A 24 -14.459 15.144 6.319 1.00 0.00 C ATOM 356 CE LYS A 24 -13.420 14.284 5.567 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.114 13.374 4.612 1.00 0.00 N ATOM 0 H LYS A 24 -11.772 18.958 5.452 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.401 17.636 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.192 16.638 5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.268 17.676 7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.121 15.502 7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.492 16.592 7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.160 14.499 6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.040 15.730 5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.723 14.927 5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.834 13.702 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.410 12.797 4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.762 12.751 5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.655 13.938 3.926 1.00 0.00 H new ATOM 371 N GLY A 25 -13.932 20.261 6.955 1.00 0.00 N ATOM 372 CA GLY A 25 -14.581 21.285 7.833 1.00 0.00 C ATOM 373 C GLY A 25 -15.390 22.246 6.961 1.00 0.00 C ATOM 374 O GLY A 25 -16.484 22.642 7.318 1.00 0.00 O ATOM 0 H GLY A 25 -13.042 20.555 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.231 20.799 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.825 21.833 8.396 1.00 0.00 H new ATOM 378 N GLU A 26 -14.814 22.587 5.840 1.00 0.00 N ATOM 379 CA GLU A 26 -15.466 23.512 4.873 1.00 0.00 C ATOM 380 C GLU A 26 -16.474 22.743 4.019 1.00 0.00 C ATOM 381 O GLU A 26 -17.551 23.235 3.742 1.00 0.00 O ATOM 382 CB GLU A 26 -14.398 24.123 3.957 1.00 0.00 C ATOM 383 CG GLU A 26 -13.429 24.989 4.778 1.00 0.00 C ATOM 384 CD GLU A 26 -14.145 26.255 5.290 1.00 0.00 C ATOM 385 OE1 GLU A 26 -14.527 27.048 4.443 1.00 0.00 O ATOM 386 OE2 GLU A 26 -14.272 26.357 6.499 1.00 0.00 O ATOM 0 H GLU A 26 -13.895 22.253 5.549 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.981 24.300 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.848 23.331 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.873 24.728 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.043 24.415 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.573 25.270 4.165 1.00 0.00 H new ATOM 393 N HIS A 27 -16.075 21.557 3.635 1.00 0.00 N ATOM 394 CA HIS A 27 -16.939 20.684 2.791 1.00 0.00 C ATOM 395 C HIS A 27 -17.070 19.274 3.399 1.00 0.00 C ATOM 396 O HIS A 27 -16.474 18.329 2.919 1.00 0.00 O ATOM 397 CB HIS A 27 -16.311 20.640 1.376 1.00 0.00 C ATOM 398 CG HIS A 27 -16.017 22.078 0.938 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.911 22.977 0.693 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.810 22.722 0.725 1.00 0.00 C ATOM 401 CE1 HIS A 27 -16.332 24.085 0.357 1.00 0.00 C ATOM 402 NE2 HIS A 27 -15.026 23.973 0.366 1.00 0.00 N ATOM 0 H HIS A 27 -15.171 21.152 3.876 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.951 21.086 2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.394 20.050 1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.992 20.160 0.673 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.836 22.268 0.836 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -16.861 24.991 0.101 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -14.334 24.690 0.146 1.00 0.00 H new ATOM 410 N PRO A 28 -17.852 19.165 4.450 1.00 0.00 N ATOM 411 CA PRO A 28 -18.262 17.852 5.027 1.00 0.00 C ATOM 412 C PRO A 28 -19.370 17.226 4.149 1.00 0.00 C ATOM 413 O PRO A 28 -20.352 16.704 4.643 1.00 0.00 O ATOM 414 CB PRO A 28 -18.710 18.220 6.441 1.00 0.00 C ATOM 415 CG PRO A 28 -19.374 19.606 6.216 1.00 0.00 C ATOM 416 CD PRO A 28 -18.427 20.309 5.211 1.00 0.00 C ATOM 0 HA PRO A 28 -17.482 17.092 5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.411 17.493 6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.870 18.277 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.382 19.506 5.814 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.457 20.166 7.147 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.966 20.998 4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.655 20.887 5.718 1.00 0.00 H new ATOM 424 N GLY A 29 -19.154 17.315 2.859 1.00 0.00 N ATOM 425 CA GLY A 29 -20.097 16.777 1.844 1.00 0.00 C ATOM 426 C GLY A 29 -19.343 16.051 0.720 1.00 0.00 C ATOM 427 O GLY A 29 -19.967 15.609 -0.225 1.00 0.00 O ATOM 0 H GLY A 29 -18.327 17.758 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.796 16.090 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.687 17.591 1.424 1.00 0.00 H new ATOM 431 N LEU A 30 -18.038 15.939 0.838 1.00 0.00 N ATOM 432 CA LEU A 30 -17.236 15.250 -0.209 1.00 0.00 C ATOM 433 C LEU A 30 -17.129 13.751 0.105 1.00 0.00 C ATOM 434 O LEU A 30 -17.353 13.319 1.218 1.00 0.00 O ATOM 435 CB LEU A 30 -15.816 15.857 -0.250 1.00 0.00 C ATOM 436 CG LEU A 30 -15.779 17.386 -0.463 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.320 17.837 -0.702 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.684 17.873 -1.621 1.00 0.00 C ATOM 0 H LEU A 30 -17.497 16.301 1.623 1.00 0.00 H new ATOM 0 HA LEU A 30 -17.728 15.382 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.306 15.621 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.253 15.378 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.177 17.841 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.293 18.916 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.712 17.576 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.925 17.337 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.607 18.956 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.364 17.407 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.718 17.599 -1.414 1.00 0.00 H new ATOM 450 N SER A 31 -16.782 13.014 -0.917 1.00 0.00 N ATOM 451 CA SER A 31 -16.615 11.536 -0.839 1.00 0.00 C ATOM 452 C SER A 31 -15.128 11.256 -1.032 1.00 0.00 C ATOM 453 O SER A 31 -14.343 12.170 -1.181 1.00 0.00 O ATOM 454 CB SER A 31 -17.420 10.876 -1.968 1.00 0.00 C ATOM 455 OG SER A 31 -17.445 9.484 -1.675 1.00 0.00 O ATOM 0 H SER A 31 -16.600 13.398 -1.844 1.00 0.00 H new ATOM 0 HA SER A 31 -16.968 11.141 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.430 11.282 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.956 11.062 -2.937 1.00 0.00 H new ATOM 0 HG SER A 31 -17.952 9.013 -2.369 1.00 0.00 H new ATOM 461 N ILE A 32 -14.776 9.996 -1.036 1.00 0.00 N ATOM 462 CA ILE A 32 -13.344 9.603 -1.224 1.00 0.00 C ATOM 463 C ILE A 32 -12.939 9.731 -2.702 1.00 0.00 C ATOM 464 O ILE A 32 -11.869 9.346 -3.126 1.00 0.00 O ATOM 465 CB ILE A 32 -13.225 8.170 -0.711 1.00 0.00 C ATOM 466 CG1 ILE A 32 -11.765 7.656 -0.731 1.00 0.00 C ATOM 467 CG2 ILE A 32 -14.105 7.209 -1.555 1.00 0.00 C ATOM 468 CD1 ILE A 32 -10.818 8.590 0.053 1.00 0.00 C ATOM 0 H ILE A 32 -15.422 9.216 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.666 10.256 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.571 8.184 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.726 6.655 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.423 7.574 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.005 6.193 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -15.148 7.520 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -13.781 7.238 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.803 8.194 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.837 9.585 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.145 8.651 1.091 1.00 0.00 H new ATOM 480 N GLY A 33 -13.863 10.285 -3.426 1.00 0.00 N ATOM 481 CA GLY A 33 -13.711 10.529 -4.888 1.00 0.00 C ATOM 482 C GLY A 33 -13.671 12.043 -5.133 1.00 0.00 C ATOM 483 O GLY A 33 -13.234 12.502 -6.169 1.00 0.00 O ATOM 0 H GLY A 33 -14.759 10.593 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.797 10.063 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.540 10.080 -5.434 1.00 0.00 H new ATOM 487 N ASP A 34 -14.119 12.774 -4.144 1.00 0.00 N ATOM 488 CA ASP A 34 -14.160 14.264 -4.217 1.00 0.00 C ATOM 489 C ASP A 34 -12.911 14.777 -3.532 1.00 0.00 C ATOM 490 O ASP A 34 -12.181 15.575 -4.073 1.00 0.00 O ATOM 491 CB ASP A 34 -15.410 14.752 -3.493 1.00 0.00 C ATOM 492 CG ASP A 34 -16.700 14.319 -4.210 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.919 13.121 -4.266 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.396 15.215 -4.658 1.00 0.00 O ATOM 0 H ASP A 34 -14.467 12.388 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.194 14.622 -5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.414 14.363 -2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.384 15.839 -3.419 1.00 0.00 H new ATOM 499 N VAL A 35 -12.702 14.287 -2.347 1.00 0.00 N ATOM 500 CA VAL A 35 -11.521 14.659 -1.513 1.00 0.00 C ATOM 501 C VAL A 35 -10.261 14.185 -2.257 1.00 0.00 C ATOM 502 O VAL A 35 -9.187 14.735 -2.110 1.00 0.00 O ATOM 503 CB VAL A 35 -11.669 13.944 -0.157 1.00 0.00 C ATOM 504 CG1 VAL A 35 -10.405 14.087 0.712 1.00 0.00 C ATOM 505 CG2 VAL A 35 -12.869 14.505 0.626 1.00 0.00 C ATOM 0 H VAL A 35 -13.326 13.615 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.449 15.733 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.826 12.888 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.554 13.568 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.553 13.652 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.213 15.143 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.955 13.986 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.721 15.570 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.782 14.357 0.049 1.00 0.00 H new ATOM 515 N ALA A 36 -10.472 13.172 -3.056 1.00 0.00 N ATOM 516 CA ALA A 36 -9.389 12.549 -3.852 1.00 0.00 C ATOM 517 C ALA A 36 -9.156 13.312 -5.132 1.00 0.00 C ATOM 518 O ALA A 36 -8.030 13.437 -5.562 1.00 0.00 O ATOM 519 CB ALA A 36 -9.801 11.125 -4.134 1.00 0.00 C ATOM 0 H ALA A 36 -11.387 12.740 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.449 12.568 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.026 10.631 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.938 10.593 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.737 11.121 -4.693 1.00 0.00 H new ATOM 525 N LYS A 37 -10.220 13.791 -5.714 1.00 0.00 N ATOM 526 CA LYS A 37 -10.067 14.559 -6.970 1.00 0.00 C ATOM 527 C LYS A 37 -9.538 15.976 -6.647 1.00 0.00 C ATOM 528 O LYS A 37 -8.679 16.482 -7.337 1.00 0.00 O ATOM 529 CB LYS A 37 -11.450 14.588 -7.659 1.00 0.00 C ATOM 530 CG LYS A 37 -11.514 15.726 -8.683 1.00 0.00 C ATOM 531 CD LYS A 37 -12.614 15.461 -9.736 1.00 0.00 C ATOM 532 CE LYS A 37 -11.957 14.895 -11.015 1.00 0.00 C ATOM 533 NZ LYS A 37 -12.992 14.610 -12.049 1.00 0.00 N ATOM 0 H LYS A 37 -11.176 13.683 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.344 14.100 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.637 13.635 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.233 14.718 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.713 16.668 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.549 15.829 -9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.348 14.756 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.148 16.383 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.231 15.609 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.410 13.982 -10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.535 14.230 -12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.669 13.912 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.495 15.488 -12.288 1.00 0.00 H new ATOM 547 N LYS A 38 -10.064 16.566 -5.604 1.00 0.00 N ATOM 548 CA LYS A 38 -9.674 17.930 -5.162 1.00 0.00 C ATOM 549 C LYS A 38 -8.180 17.927 -4.902 1.00 0.00 C ATOM 550 O LYS A 38 -7.441 18.706 -5.464 1.00 0.00 O ATOM 551 CB LYS A 38 -10.482 18.249 -3.883 1.00 0.00 C ATOM 552 CG LYS A 38 -10.323 19.713 -3.424 1.00 0.00 C ATOM 553 CD LYS A 38 -10.924 20.662 -4.488 1.00 0.00 C ATOM 554 CE LYS A 38 -11.040 22.083 -3.918 1.00 0.00 C ATOM 555 NZ LYS A 38 -12.012 22.105 -2.785 1.00 0.00 N ATOM 0 H LYS A 38 -10.779 16.134 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.888 18.692 -5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.537 18.043 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.161 17.585 -3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.824 19.860 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.269 19.944 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.295 20.669 -5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.906 20.303 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.064 22.427 -3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.365 22.771 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.392 23.066 -2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.791 21.446 -2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.530 21.818 -1.909 1.00 0.00 H new ATOM 569 N LEU A 39 -7.779 17.024 -4.051 1.00 0.00 N ATOM 570 CA LEU A 39 -6.335 16.917 -3.713 1.00 0.00 C ATOM 571 C LEU A 39 -5.610 16.368 -4.906 1.00 0.00 C ATOM 572 O LEU A 39 -4.534 16.817 -5.221 1.00 0.00 O ATOM 573 CB LEU A 39 -6.183 15.996 -2.543 1.00 0.00 C ATOM 574 CG LEU A 39 -6.779 16.690 -1.338 1.00 0.00 C ATOM 575 CD1 LEU A 39 -6.902 15.666 -0.216 1.00 0.00 C ATOM 576 CD2 LEU A 39 -5.849 17.820 -0.818 1.00 0.00 C ATOM 0 H LEU A 39 -8.388 16.358 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.921 17.892 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.691 15.050 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.132 15.765 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.740 17.115 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.330 16.142 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.549 14.850 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.915 15.272 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.307 18.298 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.886 17.396 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.700 18.560 -1.605 1.00 0.00 H new ATOM 588 N GLY A 40 -6.231 15.407 -5.528 1.00 0.00 N ATOM 589 CA GLY A 40 -5.631 14.765 -6.741 1.00 0.00 C ATOM 590 C GLY A 40 -5.251 15.827 -7.780 1.00 0.00 C ATOM 591 O GLY A 40 -4.535 15.527 -8.711 1.00 0.00 O ATOM 0 H GLY A 40 -7.138 15.032 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.747 14.193 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.341 14.061 -7.175 1.00 0.00 H new ATOM 595 N GLU A 41 -5.751 17.025 -7.591 1.00 0.00 N ATOM 596 CA GLU A 41 -5.464 18.156 -8.509 1.00 0.00 C ATOM 597 C GLU A 41 -4.475 19.076 -7.789 1.00 0.00 C ATOM 598 O GLU A 41 -3.388 19.297 -8.284 1.00 0.00 O ATOM 599 CB GLU A 41 -6.737 18.925 -8.799 1.00 0.00 C ATOM 600 CG GLU A 41 -7.685 18.159 -9.744 1.00 0.00 C ATOM 601 CD GLU A 41 -7.043 17.997 -11.133 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.842 19.019 -11.770 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.788 16.854 -11.478 1.00 0.00 O ATOM 0 H GLU A 41 -6.364 17.265 -6.812 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.057 17.792 -9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.253 19.134 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.484 19.887 -9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.912 17.179 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.630 18.694 -9.834 1.00 0.00 H new ATOM 610 N MET A 42 -4.887 19.573 -6.643 1.00 0.00 N ATOM 611 CA MET A 42 -4.035 20.492 -5.818 1.00 0.00 C ATOM 612 C MET A 42 -2.604 19.997 -5.729 1.00 0.00 C ATOM 613 O MET A 42 -1.659 20.741 -5.887 1.00 0.00 O ATOM 614 CB MET A 42 -4.616 20.583 -4.432 1.00 0.00 C ATOM 615 CG MET A 42 -5.946 21.368 -4.489 1.00 0.00 C ATOM 616 SD MET A 42 -5.876 23.093 -5.040 1.00 0.00 S ATOM 617 CE MET A 42 -6.398 22.891 -6.764 1.00 0.00 C ATOM 0 H MET A 42 -5.801 19.374 -6.236 1.00 0.00 H new ATOM 0 HA MET A 42 -4.023 21.471 -6.297 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.786 19.584 -4.030 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.914 21.081 -3.763 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.626 20.831 -5.151 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.390 21.351 -3.494 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.865 23.606 -7.392 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.172 21.878 -7.096 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.471 23.068 -6.842 1.00 0.00 H new ATOM 627 N TRP A 43 -2.522 18.725 -5.463 1.00 0.00 N ATOM 628 CA TRP A 43 -1.248 18.001 -5.335 1.00 0.00 C ATOM 629 C TRP A 43 -0.366 18.266 -6.542 1.00 0.00 C ATOM 630 O TRP A 43 0.781 18.645 -6.404 1.00 0.00 O ATOM 631 CB TRP A 43 -1.612 16.547 -5.209 1.00 0.00 C ATOM 632 CG TRP A 43 -0.368 15.702 -5.354 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.151 14.892 -6.406 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.658 15.624 -4.489 1.00 0.00 C ATOM 635 NE1 TRP A 43 1.015 14.362 -6.113 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.594 14.729 -4.979 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.864 16.259 -3.270 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.742 14.459 -4.245 1.00 0.00 C ATOM 639 CZ3 TRP A 43 2.009 15.992 -2.533 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.952 15.091 -3.023 1.00 0.00 C ATOM 0 H TRP A 43 -3.341 18.134 -5.323 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.675 18.327 -4.467 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.080 16.361 -4.243 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.340 16.276 -5.974 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.776 14.721 -7.270 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.460 13.690 -6.738 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.133 16.960 -2.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.472 13.758 -4.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.169 16.481 -1.583 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.846 14.883 -2.454 1.00 0.00 H new ATOM 651 N ASN A 44 -0.964 18.072 -7.692 1.00 0.00 N ATOM 652 CA ASN A 44 -0.185 18.289 -8.951 1.00 0.00 C ATOM 653 C ASN A 44 0.297 19.732 -9.126 1.00 0.00 C ATOM 654 O ASN A 44 1.103 20.003 -9.994 1.00 0.00 O ATOM 655 CB ASN A 44 -1.044 17.868 -10.173 1.00 0.00 C ATOM 656 CG ASN A 44 -1.316 16.361 -10.071 1.00 0.00 C ATOM 657 OD1 ASN A 44 -2.537 15.930 -10.193 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -0.420 15.562 -9.881 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.934 17.780 -7.814 1.00 0.00 H new ATOM 0 HA ASN A 44 0.709 17.670 -8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.982 18.423 -10.188 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.522 18.098 -11.102 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.542 15.888 -9.784 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.630 14.566 -9.819 1.00 0.00 H new ATOM 665 N ASN A 45 -0.224 20.601 -8.294 1.00 0.00 N ATOM 666 CA ASN A 45 0.148 22.046 -8.324 1.00 0.00 C ATOM 667 C ASN A 45 0.415 22.555 -6.884 1.00 0.00 C ATOM 668 O ASN A 45 0.083 23.678 -6.554 1.00 0.00 O ATOM 669 CB ASN A 45 -1.016 22.821 -9.007 1.00 0.00 C ATOM 670 CG ASN A 45 -2.330 22.647 -8.228 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.502 23.167 -7.144 1.00 0.00 O ATOM 672 ND2 ASN A 45 -3.283 21.920 -8.742 1.00 0.00 N ATOM 0 H ASN A 45 -0.909 20.360 -7.578 1.00 0.00 H new ATOM 0 HA ASN A 45 1.065 22.204 -8.891 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.764 23.880 -9.070 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.145 22.463 -10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.159 21.794 -8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.153 21.477 -9.652 1.00 0.00 H new ATOM 679 N THR A 46 1.022 21.717 -6.071 1.00 0.00 N ATOM 680 CA THR A 46 1.325 22.114 -4.652 1.00 0.00 C ATOM 681 C THR A 46 2.579 22.998 -4.670 1.00 0.00 C ATOM 682 O THR A 46 2.652 23.995 -3.976 1.00 0.00 O ATOM 683 CB THR A 46 1.551 20.815 -3.779 1.00 0.00 C ATOM 684 OG1 THR A 46 1.869 21.315 -2.487 1.00 0.00 O ATOM 685 CG2 THR A 46 2.796 19.959 -4.149 1.00 0.00 C ATOM 0 H THR A 46 1.321 20.776 -6.328 1.00 0.00 H new ATOM 0 HA THR A 46 0.497 22.670 -4.212 1.00 0.00 H new ATOM 0 HB THR A 46 0.666 20.190 -3.899 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.579 20.768 -2.090 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.853 19.095 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.711 19.621 -5.182 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.698 20.561 -4.038 1.00 0.00 H new ATOM 693 N ALA A 47 3.511 22.574 -5.483 1.00 0.00 N ATOM 694 CA ALA A 47 4.821 23.262 -5.680 1.00 0.00 C ATOM 695 C ALA A 47 5.687 22.366 -6.563 1.00 0.00 C ATOM 696 O ALA A 47 6.230 22.814 -7.554 1.00 0.00 O ATOM 697 CB ALA A 47 5.570 23.472 -4.339 1.00 0.00 C ATOM 0 H ALA A 47 3.409 21.731 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 47 4.636 24.238 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.518 23.976 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.960 24.083 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.759 22.505 -3.873 1.00 0.00 H new ATOM 703 N ALA A 48 5.760 21.130 -6.129 1.00 0.00 N ATOM 704 CA ALA A 48 6.533 20.005 -6.759 1.00 0.00 C ATOM 705 C ALA A 48 7.691 19.853 -5.774 1.00 0.00 C ATOM 706 O ALA A 48 8.090 18.767 -5.394 1.00 0.00 O ATOM 707 CB ALA A 48 7.123 20.338 -8.160 1.00 0.00 C ATOM 0 H ALA A 48 5.269 20.833 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 48 5.902 19.131 -6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.665 19.473 -8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.314 20.591 -8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.805 21.184 -8.076 1.00 0.00 H new ATOM 713 N ASP A 49 8.177 21.008 -5.385 1.00 0.00 N ATOM 714 CA ASP A 49 9.305 21.109 -4.423 1.00 0.00 C ATOM 715 C ASP A 49 8.735 20.863 -3.001 1.00 0.00 C ATOM 716 O ASP A 49 9.469 20.776 -2.036 1.00 0.00 O ATOM 717 CB ASP A 49 9.909 22.524 -4.608 1.00 0.00 C ATOM 718 CG ASP A 49 11.194 22.706 -3.778 1.00 0.00 C ATOM 719 OD1 ASP A 49 11.059 22.928 -2.585 1.00 0.00 O ATOM 720 OD2 ASP A 49 12.247 22.607 -4.389 1.00 0.00 O ATOM 0 H ASP A 49 7.823 21.908 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 49 10.094 20.374 -4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.130 22.691 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.176 23.275 -4.313 1.00 0.00 H new ATOM 725 N ASP A 50 7.427 20.746 -2.938 1.00 0.00 N ATOM 726 CA ASP A 50 6.678 20.500 -1.662 1.00 0.00 C ATOM 727 C ASP A 50 6.131 19.062 -1.727 1.00 0.00 C ATOM 728 O ASP A 50 5.558 18.571 -0.772 1.00 0.00 O ATOM 729 CB ASP A 50 5.509 21.504 -1.538 1.00 0.00 C ATOM 730 CG ASP A 50 4.741 21.288 -0.217 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.322 21.593 0.811 1.00 0.00 O ATOM 732 OD2 ASP A 50 3.616 20.825 -0.314 1.00 0.00 O ATOM 0 H ASP A 50 6.823 20.814 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 50 7.329 20.628 -0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.893 22.523 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.830 21.385 -2.383 1.00 0.00 H new ATOM 737 N LYS A 51 6.331 18.426 -2.859 1.00 0.00 N ATOM 738 CA LYS A 51 5.854 17.025 -3.047 1.00 0.00 C ATOM 739 C LYS A 51 7.004 16.194 -2.537 1.00 0.00 C ATOM 740 O LYS A 51 6.789 15.345 -1.708 1.00 0.00 O ATOM 741 CB LYS A 51 5.658 16.622 -4.513 1.00 0.00 C ATOM 742 CG LYS A 51 4.463 17.306 -5.165 1.00 0.00 C ATOM 743 CD LYS A 51 4.391 16.763 -6.606 1.00 0.00 C ATOM 744 CE LYS A 51 3.186 17.344 -7.332 1.00 0.00 C ATOM 745 NZ LYS A 51 3.217 16.933 -8.762 1.00 0.00 N ATOM 0 H LYS A 51 6.810 18.826 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 51 4.892 16.899 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.560 16.866 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.528 15.541 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.544 17.088 -4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.585 18.389 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.305 17.017 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.324 15.675 -6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.265 16.997 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.193 18.431 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.841 17.702 -9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.197 16.728 -9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.635 16.081 -8.891 1.00 0.00 H new ATOM 759 N GLN A 52 8.172 16.476 -3.067 1.00 0.00 N ATOM 760 CA GLN A 52 9.436 15.766 -2.691 1.00 0.00 C ATOM 761 C GLN A 52 9.381 15.075 -1.300 1.00 0.00 C ATOM 762 O GLN A 52 9.534 13.875 -1.259 1.00 0.00 O ATOM 763 CB GLN A 52 10.602 16.806 -2.754 1.00 0.00 C ATOM 764 CG GLN A 52 11.893 16.138 -3.290 1.00 0.00 C ATOM 765 CD GLN A 52 11.750 15.709 -4.766 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.644 15.944 -5.424 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.661 15.145 -5.338 1.00 0.00 N flip ATOM 0 H GLN A 52 8.304 17.200 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 52 9.593 14.952 -3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.321 17.638 -3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.784 17.219 -1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.728 16.832 -3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.131 15.266 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.532 14.952 -4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.555 14.864 -6.313 1.00 0.00 H new ATOM 776 N PRO A 53 9.163 15.802 -0.217 1.00 0.00 N ATOM 777 CA PRO A 53 9.034 15.224 1.158 1.00 0.00 C ATOM 778 C PRO A 53 8.090 14.018 1.262 1.00 0.00 C ATOM 779 O PRO A 53 8.418 12.991 1.824 1.00 0.00 O ATOM 780 CB PRO A 53 8.570 16.407 2.024 1.00 0.00 C ATOM 781 CG PRO A 53 7.972 17.395 0.993 1.00 0.00 C ATOM 782 CD PRO A 53 8.973 17.281 -0.158 1.00 0.00 C ATOM 0 HA PRO A 53 9.983 14.801 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.829 16.099 2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.400 16.853 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.964 17.111 0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.912 18.410 1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.578 17.685 -1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.904 17.809 0.050 1.00 0.00 H new ATOM 790 N TYR A 54 6.937 14.215 0.686 1.00 0.00 N ATOM 791 CA TYR A 54 5.866 13.172 0.678 1.00 0.00 C ATOM 792 C TYR A 54 6.191 12.092 -0.357 1.00 0.00 C ATOM 793 O TYR A 54 6.134 10.914 -0.074 1.00 0.00 O ATOM 794 CB TYR A 54 4.529 13.848 0.338 1.00 0.00 C ATOM 795 CG TYR A 54 4.197 14.962 1.354 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.131 14.689 2.709 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.949 16.255 0.929 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.824 15.682 3.617 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.641 17.250 1.839 1.00 0.00 C ATOM 800 CZ TYR A 54 3.576 16.969 3.190 1.00 0.00 C ATOM 801 OH TYR A 54 3.265 17.963 4.099 1.00 0.00 O ATOM 0 H TYR A 54 6.683 15.079 0.207 1.00 0.00 H new ATOM 0 HA TYR A 54 5.802 12.698 1.657 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.576 14.269 -0.666 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.732 13.104 0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.322 13.686 3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.996 16.490 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.778 15.449 4.671 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.450 18.254 1.491 1.00 0.00 H new ATOM 0 HH TYR A 54 3.122 18.808 3.624 1.00 0.00 H new ATOM 811 N GLU A 55 6.515 12.532 -1.539 1.00 0.00 N ATOM 812 CA GLU A 55 6.868 11.598 -2.652 1.00 0.00 C ATOM 813 C GLU A 55 7.918 10.563 -2.191 1.00 0.00 C ATOM 814 O GLU A 55 7.714 9.365 -2.266 1.00 0.00 O ATOM 815 CB GLU A 55 7.375 12.484 -3.813 1.00 0.00 C ATOM 816 CG GLU A 55 6.400 12.398 -5.019 1.00 0.00 C ATOM 817 CD GLU A 55 6.755 13.403 -6.143 1.00 0.00 C ATOM 818 OE1 GLU A 55 7.681 14.186 -5.972 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.054 13.330 -7.137 1.00 0.00 O ATOM 0 H GLU A 55 6.552 13.520 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 55 6.009 11.011 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.462 13.518 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.371 12.162 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.416 11.386 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.384 12.588 -4.674 1.00 0.00 H new ATOM 826 N LYS A 56 9.019 11.083 -1.719 1.00 0.00 N ATOM 827 CA LYS A 56 10.160 10.261 -1.216 1.00 0.00 C ATOM 828 C LYS A 56 9.668 9.237 -0.174 1.00 0.00 C ATOM 829 O LYS A 56 10.178 8.137 -0.066 1.00 0.00 O ATOM 830 CB LYS A 56 11.191 11.233 -0.587 1.00 0.00 C ATOM 831 CG LYS A 56 12.454 10.501 -0.044 1.00 0.00 C ATOM 832 CD LYS A 56 13.679 10.695 -0.971 1.00 0.00 C ATOM 833 CE LYS A 56 13.443 10.068 -2.356 1.00 0.00 C ATOM 834 NZ LYS A 56 14.661 10.251 -3.195 1.00 0.00 N ATOM 0 H LYS A 56 9.180 12.088 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 56 10.617 9.700 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.494 11.967 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.717 11.783 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.690 10.875 0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.241 9.437 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.887 11.759 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.559 10.245 -0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.215 9.007 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.583 10.534 -2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.504 9.828 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.859 11.266 -3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.471 9.787 -2.737 1.00 0.00 H new ATOM 848 N LYS A 57 8.660 9.645 0.560 1.00 0.00 N ATOM 849 CA LYS A 57 8.084 8.764 1.623 1.00 0.00 C ATOM 850 C LYS A 57 7.308 7.623 0.969 1.00 0.00 C ATOM 851 O LYS A 57 7.534 6.470 1.290 1.00 0.00 O ATOM 852 CB LYS A 57 7.182 9.643 2.514 1.00 0.00 C ATOM 853 CG LYS A 57 6.915 8.930 3.854 1.00 0.00 C ATOM 854 CD LYS A 57 6.713 10.008 4.939 1.00 0.00 C ATOM 855 CE LYS A 57 6.588 9.344 6.319 1.00 0.00 C ATOM 856 NZ LYS A 57 6.656 10.385 7.385 1.00 0.00 N ATOM 0 H LYS A 57 8.210 10.556 0.467 1.00 0.00 H new ATOM 0 HA LYS A 57 8.861 8.312 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.660 10.606 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.239 9.845 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.032 8.296 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.752 8.281 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.553 10.703 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.817 10.590 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.646 8.800 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.387 8.616 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.571 9.933 8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.566 10.885 7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.879 11.064 7.257 1.00 0.00 H new ATOM 870 N ALA A 58 6.408 7.971 0.081 1.00 0.00 N ATOM 871 CA ALA A 58 5.601 6.932 -0.630 1.00 0.00 C ATOM 872 C ALA A 58 6.544 5.821 -1.098 1.00 0.00 C ATOM 873 O ALA A 58 6.280 4.660 -0.872 1.00 0.00 O ATOM 874 CB ALA A 58 4.900 7.563 -1.837 1.00 0.00 C ATOM 0 H ALA A 58 6.198 8.934 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 58 4.846 6.520 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.312 6.804 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.242 8.363 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.646 7.971 -2.519 1.00 0.00 H new ATOM 880 N ALA A 59 7.618 6.211 -1.742 1.00 0.00 N ATOM 881 CA ALA A 59 8.609 5.197 -2.233 1.00 0.00 C ATOM 882 C ALA A 59 8.982 4.229 -1.081 1.00 0.00 C ATOM 883 O ALA A 59 8.692 3.055 -1.159 1.00 0.00 O ATOM 884 CB ALA A 59 9.863 5.927 -2.732 1.00 0.00 C ATOM 0 H ALA A 59 7.852 7.182 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 59 8.174 4.620 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.590 5.198 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.592 6.601 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.299 6.502 -1.915 1.00 0.00 H new ATOM 890 N LYS A 60 9.607 4.767 -0.062 1.00 0.00 N ATOM 891 CA LYS A 60 10.057 4.010 1.158 1.00 0.00 C ATOM 892 C LYS A 60 9.131 2.844 1.561 1.00 0.00 C ATOM 893 O LYS A 60 9.572 1.721 1.719 1.00 0.00 O ATOM 894 CB LYS A 60 10.172 5.021 2.329 1.00 0.00 C ATOM 895 CG LYS A 60 10.864 4.369 3.551 1.00 0.00 C ATOM 896 CD LYS A 60 10.888 5.387 4.716 1.00 0.00 C ATOM 897 CE LYS A 60 11.617 4.782 5.928 1.00 0.00 C ATOM 898 NZ LYS A 60 11.603 5.750 7.063 1.00 0.00 N ATOM 0 H LYS A 60 9.838 5.760 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 60 11.015 3.547 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.739 5.894 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.179 5.372 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.330 3.467 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.879 4.068 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.388 6.302 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.870 5.660 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.135 3.851 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.645 4.537 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.097 5.335 7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.083 6.627 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.619 5.963 7.326 1.00 0.00 H new ATOM 912 N LEU A 61 7.867 3.156 1.712 1.00 0.00 N ATOM 913 CA LEU A 61 6.886 2.095 2.107 1.00 0.00 C ATOM 914 C LEU A 61 6.463 1.239 0.900 1.00 0.00 C ATOM 915 O LEU A 61 6.377 0.037 1.037 1.00 0.00 O ATOM 916 CB LEU A 61 5.689 2.809 2.790 1.00 0.00 C ATOM 917 CG LEU A 61 5.076 3.917 1.905 1.00 0.00 C ATOM 918 CD1 LEU A 61 3.900 3.365 1.071 1.00 0.00 C ATOM 919 CD2 LEU A 61 4.619 5.074 2.797 1.00 0.00 C ATOM 0 H LEU A 61 7.474 4.088 1.581 1.00 0.00 H new ATOM 0 HA LEU A 61 7.336 1.391 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.921 2.074 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.020 3.244 3.733 1.00 0.00 H new ATOM 0 HG LEU A 61 5.830 4.279 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.484 4.163 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.256 2.560 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.128 2.982 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.185 5.860 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.872 4.715 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.474 5.472 3.343 1.00 0.00 H new ATOM 931 N LYS A 62 6.200 1.840 -0.241 1.00 0.00 N ATOM 932 CA LYS A 62 5.798 1.067 -1.475 1.00 0.00 C ATOM 933 C LYS A 62 6.797 -0.105 -1.578 1.00 0.00 C ATOM 934 O LYS A 62 6.458 -1.260 -1.724 1.00 0.00 O ATOM 935 CB LYS A 62 5.922 1.982 -2.706 1.00 0.00 C ATOM 936 CG LYS A 62 5.377 1.266 -3.971 1.00 0.00 C ATOM 937 CD LYS A 62 5.843 2.008 -5.254 1.00 0.00 C ATOM 938 CE LYS A 62 7.356 1.778 -5.485 1.00 0.00 C ATOM 939 NZ LYS A 62 7.786 2.441 -6.748 1.00 0.00 N ATOM 0 H LYS A 62 6.247 2.850 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 62 4.770 0.708 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.369 2.906 -2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.965 2.258 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.727 0.234 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.288 1.233 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.278 1.651 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.640 3.075 -5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.925 2.175 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.566 0.710 -5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.803 2.281 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.254 2.043 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.602 3.463 -6.684 1.00 0.00 H new ATOM 953 N GLU A 63 8.038 0.291 -1.485 1.00 0.00 N ATOM 954 CA GLU A 63 9.207 -0.625 -1.541 1.00 0.00 C ATOM 955 C GLU A 63 8.993 -1.738 -0.504 1.00 0.00 C ATOM 956 O GLU A 63 9.154 -2.905 -0.802 1.00 0.00 O ATOM 957 CB GLU A 63 10.477 0.256 -1.255 1.00 0.00 C ATOM 958 CG GLU A 63 11.828 -0.526 -1.244 1.00 0.00 C ATOM 959 CD GLU A 63 12.165 -1.086 0.161 1.00 0.00 C ATOM 960 OE1 GLU A 63 11.597 -2.103 0.527 1.00 0.00 O ATOM 961 OE2 GLU A 63 12.987 -0.453 0.803 1.00 0.00 O ATOM 0 H GLU A 63 8.298 1.270 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 63 9.334 -1.113 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.534 1.041 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.351 0.748 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.777 -1.347 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.631 0.133 -1.573 1.00 0.00 H new ATOM 968 N LYS A 64 8.621 -1.335 0.689 1.00 0.00 N ATOM 969 CA LYS A 64 8.390 -2.326 1.793 1.00 0.00 C ATOM 970 C LYS A 64 7.391 -3.417 1.369 1.00 0.00 C ATOM 971 O LYS A 64 7.633 -4.598 1.526 1.00 0.00 O ATOM 972 CB LYS A 64 7.848 -1.575 3.038 1.00 0.00 C ATOM 973 CG LYS A 64 8.433 -2.179 4.333 1.00 0.00 C ATOM 974 CD LYS A 64 9.928 -1.766 4.451 1.00 0.00 C ATOM 975 CE LYS A 64 10.551 -2.337 5.731 1.00 0.00 C ATOM 976 NZ LYS A 64 9.841 -1.814 6.933 1.00 0.00 N ATOM 0 H LYS A 64 8.467 -0.360 0.947 1.00 0.00 H new ATOM 0 HA LYS A 64 9.336 -2.814 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.107 -0.518 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.760 -1.636 3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.875 -1.825 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.342 -3.265 4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.479 -2.125 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.011 -0.679 4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.498 -3.426 5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.607 -2.070 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.422 -1.980 7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.676 -0.793 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.929 -2.303 7.038 1.00 0.00 H new ATOM 990 N TYR A 65 6.294 -2.949 0.836 1.00 0.00 N ATOM 991 CA TYR A 65 5.182 -3.812 0.349 1.00 0.00 C ATOM 992 C TYR A 65 5.731 -4.867 -0.604 1.00 0.00 C ATOM 993 O TYR A 65 5.531 -6.047 -0.407 1.00 0.00 O ATOM 994 CB TYR A 65 4.154 -2.814 -0.279 1.00 0.00 C ATOM 995 CG TYR A 65 3.305 -3.343 -1.441 1.00 0.00 C ATOM 996 CD1 TYR A 65 2.617 -4.532 -1.370 1.00 0.00 C ATOM 997 CD2 TYR A 65 3.215 -2.598 -2.609 1.00 0.00 C ATOM 998 CE1 TYR A 65 1.870 -4.942 -2.440 1.00 0.00 C ATOM 999 CE2 TYR A 65 2.458 -3.026 -3.674 1.00 0.00 C ATOM 1000 CZ TYR A 65 1.780 -4.208 -3.595 1.00 0.00 C ATOM 1001 OH TYR A 65 1.024 -4.639 -4.666 1.00 0.00 O ATOM 0 H TYR A 65 6.118 -1.952 0.714 1.00 0.00 H new ATOM 0 HA TYR A 65 4.684 -4.394 1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.481 -2.478 0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.700 -1.937 -0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.666 -5.137 -0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.751 -1.663 -2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.332 -5.876 -2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.400 -2.428 -4.571 1.00 0.00 H new ATOM 0 HH TYR A 65 1.083 -3.984 -5.393 1.00 0.00 H new ATOM 1011 N GLU A 66 6.410 -4.401 -1.613 1.00 0.00 N ATOM 1012 CA GLU A 66 7.011 -5.321 -2.623 1.00 0.00 C ATOM 1013 C GLU A 66 7.955 -6.376 -1.997 1.00 0.00 C ATOM 1014 O GLU A 66 8.174 -7.426 -2.569 1.00 0.00 O ATOM 1015 CB GLU A 66 7.803 -4.520 -3.634 1.00 0.00 C ATOM 1016 CG GLU A 66 6.930 -3.378 -4.193 1.00 0.00 C ATOM 1017 CD GLU A 66 7.560 -2.813 -5.474 1.00 0.00 C ATOM 1018 OE1 GLU A 66 7.556 -3.545 -6.450 1.00 0.00 O ATOM 1019 OE2 GLU A 66 8.015 -1.683 -5.403 1.00 0.00 O ATOM 0 H GLU A 66 6.577 -3.410 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 66 6.181 -5.848 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.698 -4.110 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.135 -5.168 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.926 -3.747 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.830 -2.588 -3.448 1.00 0.00 H new ATOM 1026 N LYS A 67 8.483 -6.069 -0.839 1.00 0.00 N ATOM 1027 CA LYS A 67 9.416 -7.003 -0.125 1.00 0.00 C ATOM 1028 C LYS A 67 8.691 -7.940 0.830 1.00 0.00 C ATOM 1029 O LYS A 67 9.220 -8.935 1.285 1.00 0.00 O ATOM 1030 CB LYS A 67 10.434 -6.196 0.690 1.00 0.00 C ATOM 1031 CG LYS A 67 11.718 -6.006 -0.092 1.00 0.00 C ATOM 1032 CD LYS A 67 11.539 -5.081 -1.314 1.00 0.00 C ATOM 1033 CE LYS A 67 12.888 -4.955 -2.047 1.00 0.00 C ATOM 1034 NZ LYS A 67 13.932 -4.401 -1.134 1.00 0.00 N ATOM 0 H LYS A 67 8.305 -5.194 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 67 9.904 -7.602 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.012 -5.224 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.646 -6.710 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.481 -5.589 0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.082 -6.977 -0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.782 -5.486 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.190 -4.099 -0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.201 -5.932 -2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.777 -4.307 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.721 -4.024 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.521 -3.638 -0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.282 -5.155 -0.509 1.00 0.00 H new ATOM 1048 N ASP A 68 7.479 -7.562 1.075 1.00 0.00 N ATOM 1049 CA ASP A 68 6.567 -8.300 1.977 1.00 0.00 C ATOM 1050 C ASP A 68 5.804 -9.279 1.117 1.00 0.00 C ATOM 1051 O ASP A 68 5.354 -10.295 1.604 1.00 0.00 O ATOM 1052 CB ASP A 68 5.644 -7.299 2.619 1.00 0.00 C ATOM 1053 CG ASP A 68 4.958 -7.888 3.868 1.00 0.00 C ATOM 1054 OD1 ASP A 68 4.171 -8.806 3.694 1.00 0.00 O ATOM 1055 OD2 ASP A 68 5.263 -7.384 4.936 1.00 0.00 O ATOM 0 H ASP A 68 7.062 -6.727 0.665 1.00 0.00 H new ATOM 0 HA ASP A 68 7.093 -8.839 2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.207 -6.408 2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.887 -6.986 1.900 1.00 0.00 H new ATOM 1060 N ILE A 69 5.682 -8.944 -0.144 1.00 0.00 N ATOM 1061 CA ILE A 69 4.952 -9.858 -1.057 1.00 0.00 C ATOM 1062 C ILE A 69 6.004 -10.850 -1.508 1.00 0.00 C ATOM 1063 O ILE A 69 5.767 -12.036 -1.560 1.00 0.00 O ATOM 1064 CB ILE A 69 4.347 -9.052 -2.253 1.00 0.00 C ATOM 1065 CG1 ILE A 69 3.775 -9.988 -3.320 1.00 0.00 C ATOM 1066 CG2 ILE A 69 5.366 -8.173 -2.938 1.00 0.00 C ATOM 1067 CD1 ILE A 69 2.932 -11.075 -2.670 1.00 0.00 C ATOM 0 H ILE A 69 6.050 -8.093 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 69 4.108 -10.361 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 69 3.565 -8.433 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.168 -9.420 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.587 -10.440 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.891 -7.637 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.768 -7.456 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.176 -8.790 -3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.531 -11.734 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.550 -11.653 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.110 -10.618 -2.120 1.00 0.00 H new ATOM 1079 N ALA A 70 7.154 -10.334 -1.821 1.00 0.00 N ATOM 1080 CA ALA A 70 8.271 -11.220 -2.265 1.00 0.00 C ATOM 1081 C ALA A 70 8.452 -12.261 -1.143 1.00 0.00 C ATOM 1082 O ALA A 70 8.727 -13.425 -1.379 1.00 0.00 O ATOM 1083 CB ALA A 70 9.542 -10.388 -2.441 1.00 0.00 C ATOM 0 H ALA A 70 7.374 -9.338 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 70 8.061 -11.704 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.358 -11.034 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.371 -9.616 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.805 -9.920 -1.492 1.00 0.00 H new ATOM 1089 N ALA A 71 8.263 -11.781 0.065 1.00 0.00 N ATOM 1090 CA ALA A 71 8.403 -12.656 1.257 1.00 0.00 C ATOM 1091 C ALA A 71 7.166 -13.553 1.353 1.00 0.00 C ATOM 1092 O ALA A 71 7.301 -14.732 1.592 1.00 0.00 O ATOM 1093 CB ALA A 71 8.524 -11.784 2.515 1.00 0.00 C ATOM 0 H ALA A 71 8.016 -10.813 0.270 1.00 0.00 H new ATOM 0 HA ALA A 71 9.296 -13.275 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.627 -12.423 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.400 -11.141 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.631 -11.168 2.618 1.00 0.00 H new ATOM 1099 N TYR A 72 6.008 -12.970 1.165 1.00 0.00 N ATOM 1100 CA TYR A 72 4.705 -13.710 1.226 1.00 0.00 C ATOM 1101 C TYR A 72 4.743 -14.956 0.342 1.00 0.00 C ATOM 1102 O TYR A 72 4.354 -16.032 0.755 1.00 0.00 O ATOM 1103 CB TYR A 72 3.613 -12.736 0.778 1.00 0.00 C ATOM 1104 CG TYR A 72 2.254 -13.416 0.544 1.00 0.00 C ATOM 1105 CD1 TYR A 72 1.945 -14.001 -0.668 1.00 0.00 C ATOM 1106 CD2 TYR A 72 1.316 -13.444 1.559 1.00 0.00 C ATOM 1107 CE1 TYR A 72 0.718 -14.602 -0.857 1.00 0.00 C ATOM 1108 CE2 TYR A 72 0.092 -14.044 1.370 1.00 0.00 C ATOM 1109 CZ TYR A 72 -0.215 -14.627 0.160 1.00 0.00 C ATOM 1110 OH TYR A 72 -1.446 -15.223 -0.024 1.00 0.00 O ATOM 0 H TYR A 72 5.908 -11.975 0.964 1.00 0.00 H new ATOM 0 HA TYR A 72 4.505 -14.059 2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.498 -11.958 1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.929 -12.244 -0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.667 -13.988 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.546 -12.990 2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.485 -15.057 -1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.630 -14.058 2.173 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.770 -15.575 0.831 1.00 0.00 H new ATOM 1120 N ARG A 73 5.223 -14.746 -0.857 1.00 0.00 N ATOM 1121 CA ARG A 73 5.335 -15.841 -1.854 1.00 0.00 C ATOM 1122 C ARG A 73 6.321 -16.854 -1.296 1.00 0.00 C ATOM 1123 O ARG A 73 6.199 -18.047 -1.497 1.00 0.00 O ATOM 1124 CB ARG A 73 5.863 -15.283 -3.185 1.00 0.00 C ATOM 1125 CG ARG A 73 4.844 -14.320 -3.819 1.00 0.00 C ATOM 1126 CD ARG A 73 5.398 -13.856 -5.176 1.00 0.00 C ATOM 1127 NE ARG A 73 4.412 -12.913 -5.782 1.00 0.00 N ATOM 1128 CZ ARG A 73 3.821 -13.226 -6.903 1.00 0.00 C ATOM 1129 NH1 ARG A 73 4.472 -13.085 -8.025 1.00 0.00 N ATOM 1130 NH2 ARG A 73 2.596 -13.674 -6.859 1.00 0.00 N ATOM 0 H ARG A 73 5.548 -13.838 -1.189 1.00 0.00 H new ATOM 0 HA ARG A 73 4.364 -16.301 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.806 -14.762 -3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.070 -16.104 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.883 -14.817 -3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.673 -13.464 -3.166 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.363 -13.366 -5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.561 -14.710 -5.833 1.00 0.00 H new ATOM 0 HE ARG A 73 4.201 -12.028 -5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.430 -12.734 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.023 -13.326 -8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.121 -13.773 -5.962 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.113 -13.925 -7.722 1.00 0.00 H new ATOM 1144 N ALA A 74 7.274 -16.294 -0.600 1.00 0.00 N ATOM 1145 CA ALA A 74 8.344 -17.103 0.032 1.00 0.00 C ATOM 1146 C ALA A 74 8.079 -17.348 1.539 1.00 0.00 C ATOM 1147 O ALA A 74 9.007 -17.404 2.324 1.00 0.00 O ATOM 1148 CB ALA A 74 9.634 -16.331 -0.201 1.00 0.00 C ATOM 0 H ALA A 74 7.353 -15.289 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 74 8.394 -18.100 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.468 -16.875 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.802 -16.218 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.557 -15.346 0.260 1.00 0.00 H new ATOM 1154 N LYS A 75 6.815 -17.483 1.889 1.00 0.00 N ATOM 1155 CA LYS A 75 6.378 -17.726 3.298 1.00 0.00 C ATOM 1156 C LYS A 75 6.832 -16.502 4.093 1.00 0.00 C ATOM 1157 O LYS A 75 7.743 -16.539 4.898 1.00 0.00 O ATOM 1158 CB LYS A 75 7.026 -19.058 3.815 1.00 0.00 C ATOM 1159 CG LYS A 75 6.524 -19.375 5.248 1.00 0.00 C ATOM 1160 CD LYS A 75 7.063 -20.743 5.765 1.00 0.00 C ATOM 1161 CE LYS A 75 6.155 -21.924 5.331 1.00 0.00 C ATOM 1162 NZ LYS A 75 6.203 -22.160 3.861 1.00 0.00 N ATOM 0 H LYS A 75 6.043 -17.431 1.224 1.00 0.00 H new ATOM 0 HA LYS A 75 5.300 -17.849 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.774 -19.879 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.112 -18.967 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.838 -18.582 5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.434 -19.388 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.072 -20.902 5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.132 -20.719 6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.465 -22.829 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.127 -21.719 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.957 -23.150 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.524 -21.532 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.162 -21.963 3.509 1.00 0.00 H new ATOM 1176 N GLY A 76 6.130 -15.439 3.799 1.00 0.00 N ATOM 1177 CA GLY A 76 6.393 -14.130 4.441 1.00 0.00 C ATOM 1178 C GLY A 76 5.456 -13.935 5.609 1.00 0.00 C ATOM 1179 O GLY A 76 4.660 -13.015 5.645 1.00 0.00 O ATOM 0 H GLY A 76 5.367 -15.430 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.427 -14.083 4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.259 -13.326 3.717 1.00 0.00 H new ATOM 1183 N LYS A 77 5.605 -14.843 6.531 1.00 0.00 N ATOM 1184 CA LYS A 77 4.783 -14.827 7.764 1.00 0.00 C ATOM 1185 C LYS A 77 5.589 -14.117 8.869 1.00 0.00 C ATOM 1186 O LYS A 77 6.783 -13.932 8.716 1.00 0.00 O ATOM 1187 CB LYS A 77 4.472 -16.282 8.186 1.00 0.00 C ATOM 1188 CG LYS A 77 3.751 -17.075 7.064 1.00 0.00 C ATOM 1189 CD LYS A 77 2.448 -16.351 6.610 1.00 0.00 C ATOM 1190 CE LYS A 77 1.283 -17.352 6.521 1.00 0.00 C ATOM 1191 NZ LYS A 77 0.943 -17.851 7.885 1.00 0.00 N ATOM 0 H LYS A 77 6.276 -15.609 6.478 1.00 0.00 H new ATOM 0 HA LYS A 77 3.843 -14.301 7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.401 -16.789 8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.850 -16.274 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.420 -17.194 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.508 -18.076 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.201 -15.557 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.605 -15.879 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.413 -16.873 6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.557 -18.187 5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.058 -18.133 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.540 -18.672 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.110 -17.097 8.582 1.00 0.00 H new ATOM 1205 N PRO A 78 4.938 -13.737 9.950 1.00 0.00 N ATOM 1206 CA PRO A 78 5.612 -13.094 11.116 1.00 0.00 C ATOM 1207 C PRO A 78 6.732 -13.975 11.685 1.00 0.00 C ATOM 1208 O PRO A 78 7.606 -13.505 12.388 1.00 0.00 O ATOM 1209 CB PRO A 78 4.453 -12.819 12.104 1.00 0.00 C ATOM 1210 CG PRO A 78 3.228 -12.704 11.161 1.00 0.00 C ATOM 1211 CD PRO A 78 3.469 -13.859 10.183 1.00 0.00 C ATOM 0 HA PRO A 78 6.136 -12.173 10.862 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.335 -13.627 12.826 1.00 0.00 H new ATOM 0 HB3 PRO A 78 4.614 -11.904 12.674 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.287 -12.815 11.699 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.193 -11.740 10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.199 -14.824 10.611 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.895 -13.746 9.263 1.00 0.00 H new ATOM 1219 N ASP A 79 6.650 -15.237 11.352 1.00 0.00 N ATOM 1220 CA ASP A 79 7.655 -16.236 11.811 1.00 0.00 C ATOM 1221 C ASP A 79 8.354 -16.869 10.593 1.00 0.00 C ATOM 1222 O ASP A 79 8.330 -18.069 10.404 1.00 0.00 O ATOM 1223 CB ASP A 79 6.899 -17.281 12.661 1.00 0.00 C ATOM 1224 CG ASP A 79 6.159 -16.534 13.788 1.00 0.00 C ATOM 1225 OD1 ASP A 79 6.848 -16.012 14.651 1.00 0.00 O ATOM 1226 OD2 ASP A 79 4.941 -16.525 13.715 1.00 0.00 O ATOM 0 H ASP A 79 5.909 -15.624 10.767 1.00 0.00 H new ATOM 0 HA ASP A 79 8.437 -15.777 12.415 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.192 -17.835 12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.595 -18.008 13.079 1.00 0.00 H new ATOM 1231 N ALA A 80 8.941 -16.006 9.798 1.00 0.00 N ATOM 1232 CA ALA A 80 9.696 -16.390 8.556 1.00 0.00 C ATOM 1233 C ALA A 80 10.465 -17.728 8.628 1.00 0.00 C ATOM 1234 O ALA A 80 10.500 -18.469 7.664 1.00 0.00 O ATOM 1235 CB ALA A 80 10.682 -15.257 8.222 1.00 0.00 C ATOM 0 H ALA A 80 8.927 -15.000 9.968 1.00 0.00 H new ATOM 0 HA ALA A 80 8.944 -16.539 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.241 -15.515 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.130 -14.332 8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.374 -15.120 9.053 1.00 0.00 H new ATOM 1241 N ALA A 81 11.055 -17.987 9.771 1.00 0.00 N ATOM 1242 CA ALA A 81 11.845 -19.246 9.991 1.00 0.00 C ATOM 1243 C ALA A 81 11.074 -20.297 10.826 1.00 0.00 C ATOM 1244 O ALA A 81 10.018 -19.956 11.330 1.00 0.00 O ATOM 1245 CB ALA A 81 13.147 -18.867 10.709 1.00 0.00 C ATOM 1246 OXT ALA A 81 11.593 -21.399 10.918 1.00 0.00 O ATOM 0 H ALA A 81 11.022 -17.366 10.580 1.00 0.00 H new ATOM 0 HA ALA A 81 12.042 -19.703 9.021 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.742 -19.764 10.882 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.713 -18.170 10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.912 -18.398 11.664 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -7.913 10.644 4.198 1.00 0.00 C HETATM 1254 C2 BME A 82 -6.592 11.146 3.600 1.00 0.00 C HETATM 1255 O1 BME A 82 -8.897 11.483 3.611 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.397 11.041 1.804 1.00 0.00 S HETATM 0 HO1 BME A 82 -8.663 11.656 2.675 1.00 0.00 H new HETATM 0 H22 BME A 82 -6.465 12.188 3.892 1.00 0.00 H new HETATM 0 H21 BME A 82 -5.779 10.584 4.060 1.00 0.00 H new HETATM 0 H12 BME A 82 -8.087 9.595 3.957 1.00 0.00 H new HETATM 0 H11 BME A 82 -7.916 10.726 5.285 1.00 0.00 H new