USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 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 366 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 368 HIS : no HD1:sc= 0.846 K(o=0.85,f=-5.6!) USER MOD Set 2.1: A 116 TYR OH : rot -15:sc= 0.637 USER MOD Set 2.2: A 141 ASN : amide:sc= 2.02 K(o=2.7,f=-8.7!) USER MOD Set 3.1: A 111 ASN : amide:sc= 0.689 X(o=1.1,f=0.78) USER MOD Set 3.2: A 115 THR OG1 : rot 180:sc= 0.395 USER MOD Set 4.1: A 92 GLN : amide:sc= 1.82 K(o=3.1,f=2) USER MOD Set 4.2: A 121 TYR OH : rot -13:sc= 1.31 USER MOD Single : A 88 GLN : amide:sc= 0.814 K(o=0.81,f=0) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 96 SER OG : rot 35:sc= 0.0817 USER MOD Single : A 98 SER OG : rot 180:sc=0.000163 USER MOD Single : A 100 SER OG : rot -107:sc= 1.89 USER MOD Single : A 103 TYR OH : rot -8:sc= 1.26 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0.777 K(o=0.78,f=-0.35) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0903 X(o=-0.09,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.743 K(o=0.74,f=-4.1!) USER MOD Single : A 134 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.927) USER MOD Single : A 137 SER OG : rot 87:sc= 0.208 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 1.79 K(o=1.8,f=-3.9!) USER MOD Single : A 145 ASN : amide:sc= 0.706 K(o=0.71,f=-4.3!) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=-0.43) USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 86 1.051 2.549 -3.776 1.00 0.00 N ATOM 24 CA GLU A 86 1.762 2.355 -5.043 1.00 0.00 C ATOM 25 C GLU A 86 0.726 2.429 -6.166 1.00 0.00 C ATOM 26 O GLU A 86 0.400 1.436 -6.822 1.00 0.00 O ATOM 27 CB GLU A 86 2.586 1.054 -5.033 1.00 0.00 C ATOM 28 CG GLU A 86 3.707 1.077 -3.985 1.00 0.00 C ATOM 29 CD GLU A 86 4.575 -0.193 -4.059 1.00 0.00 C ATOM 30 OE1 GLU A 86 4.247 -1.203 -3.388 1.00 0.00 O ATOM 31 OE2 GLU A 86 5.597 -0.189 -4.789 1.00 0.00 O ATOM 0 HA GLU A 86 2.502 3.139 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.925 0.210 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.019 0.894 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.333 1.956 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.273 1.165 -2.989 1.00 0.00 H new ATOM 38 N PHE A 87 0.142 3.619 -6.292 1.00 0.00 N ATOM 39 CA PHE A 87 -0.976 3.971 -7.166 1.00 0.00 C ATOM 40 C PHE A 87 -0.672 3.568 -8.611 1.00 0.00 C ATOM 41 O PHE A 87 0.229 4.124 -9.235 1.00 0.00 O ATOM 42 CB PHE A 87 -1.255 5.477 -7.020 1.00 0.00 C ATOM 43 CG PHE A 87 -1.153 5.963 -5.583 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.185 5.708 -4.661 1.00 0.00 C ATOM 45 CD2 PHE A 87 -0.006 6.663 -5.164 1.00 0.00 C ATOM 46 CE1 PHE A 87 -2.061 6.139 -3.327 1.00 0.00 C ATOM 47 CE2 PHE A 87 0.109 7.102 -3.835 1.00 0.00 C ATOM 48 CZ PHE A 87 -0.918 6.847 -2.916 1.00 0.00 C ATOM 0 H PHE A 87 0.460 4.420 -5.747 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.874 3.425 -6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.549 6.033 -7.637 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.253 5.695 -7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.073 5.181 -4.977 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.789 6.863 -5.867 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.846 5.925 -2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.992 7.638 -3.520 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.832 7.193 -1.897 1.00 0.00 H new ATOM 58 N GLN A 88 -1.395 2.571 -9.121 1.00 0.00 N ATOM 59 CA GLN A 88 -1.241 1.944 -10.434 1.00 0.00 C ATOM 60 C GLN A 88 -2.645 1.560 -10.932 1.00 0.00 C ATOM 61 O GLN A 88 -3.641 1.861 -10.270 1.00 0.00 O ATOM 62 CB GLN A 88 -0.340 0.696 -10.288 1.00 0.00 C ATOM 63 CG GLN A 88 1.150 1.004 -10.068 1.00 0.00 C ATOM 64 CD GLN A 88 1.901 -0.250 -9.621 1.00 0.00 C ATOM 65 OE1 GLN A 88 2.544 -0.933 -10.417 1.00 0.00 O ATOM 66 NE2 GLN A 88 1.833 -0.577 -8.339 1.00 0.00 N ATOM 0 H GLN A 88 -2.158 2.151 -8.590 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.774 2.619 -11.151 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.702 0.099 -9.451 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.442 0.083 -11.184 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.587 1.386 -10.990 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.258 1.786 -9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.295 0.001 -7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.318 -1.407 -7.998 1.00 0.00 H new ATOM 75 N ILE A 89 -2.743 0.881 -12.081 1.00 0.00 N ATOM 76 CA ILE A 89 -3.998 0.275 -12.540 1.00 0.00 C ATOM 77 C ILE A 89 -4.534 -0.627 -11.415 1.00 0.00 C ATOM 78 O ILE A 89 -3.762 -1.300 -10.727 1.00 0.00 O ATOM 79 CB ILE A 89 -3.808 -0.477 -13.880 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.260 0.483 -14.966 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.127 -1.120 -14.352 1.00 0.00 C ATOM 82 CD1 ILE A 89 -3.032 -0.153 -16.344 1.00 0.00 C ATOM 0 H ILE A 89 -1.958 0.737 -12.716 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.737 1.048 -12.750 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.084 -1.275 -13.716 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.956 1.315 -15.078 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.316 0.902 -14.616 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.961 -1.640 -15.295 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.474 -1.830 -13.602 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.880 -0.344 -14.493 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.648 0.599 -17.033 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.311 -0.965 -16.255 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.975 -0.546 -16.724 1.00 0.00 H new ATOM 94 N ASN A 90 -5.862 -0.643 -11.257 1.00 0.00 N ATOM 95 CA ASN A 90 -6.585 -1.345 -10.193 1.00 0.00 C ATOM 96 C ASN A 90 -6.209 -0.863 -8.781 1.00 0.00 C ATOM 97 O ASN A 90 -6.441 -1.578 -7.806 1.00 0.00 O ATOM 98 CB ASN A 90 -6.526 -2.883 -10.361 1.00 0.00 C ATOM 99 CG ASN A 90 -7.264 -3.388 -11.598 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.381 -2.963 -11.880 1.00 0.00 O ATOM 101 ND2 ASN A 90 -6.677 -4.295 -12.366 1.00 0.00 N ATOM 0 H ASN A 90 -6.487 -0.147 -11.893 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.635 -1.073 -10.305 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -5.483 -3.195 -10.417 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -6.952 -3.354 -9.475 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.153 -4.644 -13.198 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.749 -4.643 -12.125 1.00 0.00 H new ATOM 108 N GLU A 91 -5.684 0.358 -8.640 1.00 0.00 N ATOM 109 CA GLU A 91 -5.479 1.035 -7.362 1.00 0.00 C ATOM 110 C GLU A 91 -6.052 2.455 -7.493 1.00 0.00 C ATOM 111 O GLU A 91 -6.479 2.858 -8.581 1.00 0.00 O ATOM 112 CB GLU A 91 -3.984 0.959 -6.987 1.00 0.00 C ATOM 113 CG GLU A 91 -3.593 1.491 -5.597 1.00 0.00 C ATOM 114 CD GLU A 91 -4.373 0.797 -4.468 1.00 0.00 C ATOM 115 OE1 GLU A 91 -5.539 1.197 -4.236 1.00 0.00 O ATOM 116 OE2 GLU A 91 -3.831 -0.134 -3.823 1.00 0.00 O ATOM 0 H GLU A 91 -5.382 0.917 -9.438 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.005 0.560 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.669 -0.082 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.417 1.513 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.524 1.344 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.776 2.565 -5.556 1.00 0.00 H new ATOM 123 N GLN A 92 -6.162 3.187 -6.383 1.00 0.00 N ATOM 124 CA GLN A 92 -6.883 4.462 -6.357 1.00 0.00 C ATOM 125 C GLN A 92 -6.011 5.600 -6.887 1.00 0.00 C ATOM 126 O GLN A 92 -4.785 5.553 -6.800 1.00 0.00 O ATOM 127 CB GLN A 92 -7.366 4.849 -4.946 1.00 0.00 C ATOM 128 CG GLN A 92 -7.828 3.707 -4.040 1.00 0.00 C ATOM 129 CD GLN A 92 -8.706 2.661 -4.733 1.00 0.00 C ATOM 130 OE1 GLN A 92 -9.767 2.970 -5.267 1.00 0.00 O ATOM 131 NE2 GLN A 92 -8.285 1.406 -4.742 1.00 0.00 N ATOM 0 H GLN A 92 -5.759 2.917 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.753 4.316 -6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.556 5.376 -4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.190 5.555 -5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.950 3.210 -3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.381 4.128 -3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.401 1.161 -4.295 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.844 0.684 -5.196 1.00 0.00 H new ATOM 140 N VAL A 93 -6.666 6.672 -7.320 1.00 0.00 N ATOM 141 CA VAL A 93 -6.088 7.958 -7.674 1.00 0.00 C ATOM 142 C VAL A 93 -7.094 9.048 -7.296 1.00 0.00 C ATOM 143 O VAL A 93 -8.250 8.753 -6.987 1.00 0.00 O ATOM 144 CB VAL A 93 -5.748 8.034 -9.182 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.416 7.334 -9.484 1.00 0.00 C ATOM 146 CG2 VAL A 93 -6.894 7.543 -10.084 1.00 0.00 C ATOM 0 H VAL A 93 -7.679 6.662 -7.440 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.152 8.096 -7.132 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.624 9.089 -9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.202 7.403 -10.551 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.616 7.816 -8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.482 6.285 -9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.594 7.621 -11.129 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.122 6.503 -9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.779 8.156 -9.914 1.00 0.00 H new ATOM 156 N LEU A 94 -6.660 10.302 -7.346 1.00 0.00 N ATOM 157 CA LEU A 94 -7.520 11.470 -7.237 1.00 0.00 C ATOM 158 C LEU A 94 -7.685 11.989 -8.660 1.00 0.00 C ATOM 159 O LEU A 94 -6.690 12.286 -9.325 1.00 0.00 O ATOM 160 CB LEU A 94 -6.860 12.530 -6.335 1.00 0.00 C ATOM 161 CG LEU A 94 -6.977 12.227 -4.836 1.00 0.00 C ATOM 162 CD1 LEU A 94 -6.106 13.199 -4.039 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.416 12.324 -4.316 1.00 0.00 C ATOM 0 H LEU A 94 -5.675 10.538 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.485 11.231 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.805 12.612 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.315 13.500 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.641 11.199 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.194 12.978 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.066 13.092 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.436 14.221 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.433 12.099 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.795 13.333 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.044 11.609 -4.848 1.00 0.00 H new ATOM 175 N ALA A 95 -8.925 12.091 -9.134 1.00 0.00 N ATOM 176 CA ALA A 95 -9.258 12.470 -10.500 1.00 0.00 C ATOM 177 C ALA A 95 -10.360 13.526 -10.457 1.00 0.00 C ATOM 178 O ALA A 95 -11.270 13.430 -9.629 1.00 0.00 O ATOM 179 CB ALA A 95 -9.731 11.234 -11.277 1.00 0.00 C ATOM 0 H ALA A 95 -9.747 11.906 -8.560 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.382 12.879 -11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.980 11.520 -12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.937 10.488 -11.292 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.613 10.815 -10.793 1.00 0.00 H new ATOM 185 N SER A 96 -10.269 14.545 -11.310 1.00 0.00 N ATOM 186 CA SER A 96 -11.227 15.637 -11.332 1.00 0.00 C ATOM 187 C SER A 96 -12.592 15.154 -11.837 1.00 0.00 C ATOM 188 O SER A 96 -12.679 14.428 -12.833 1.00 0.00 O ATOM 189 CB SER A 96 -10.650 16.792 -12.159 1.00 0.00 C ATOM 190 OG SER A 96 -9.659 17.435 -11.375 1.00 0.00 O ATOM 0 H SER A 96 -9.527 14.632 -12.004 1.00 0.00 H new ATOM 0 HA SER A 96 -11.399 16.008 -10.322 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.219 16.418 -13.088 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.436 17.496 -12.433 1.00 0.00 H new ATOM 0 HG SER A 96 -9.187 16.768 -10.833 1.00 0.00 H new ATOM 196 N TRP A 97 -13.647 15.574 -11.139 1.00 0.00 N ATOM 197 CA TRP A 97 -15.042 15.275 -11.435 1.00 0.00 C ATOM 198 C TRP A 97 -15.725 16.571 -11.867 1.00 0.00 C ATOM 199 O TRP A 97 -15.295 17.663 -11.476 1.00 0.00 O ATOM 200 CB TRP A 97 -15.703 14.661 -10.202 1.00 0.00 C ATOM 201 CG TRP A 97 -17.041 13.992 -10.355 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.447 13.160 -11.340 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.181 14.093 -9.455 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.723 12.699 -11.070 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.205 13.201 -9.879 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.422 14.841 -8.295 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.374 12.998 -9.121 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.584 14.653 -7.521 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.546 13.712 -7.922 1.00 0.00 C ATOM 0 H TRP A 97 -13.543 16.161 -10.311 1.00 0.00 H new ATOM 0 HA TRP A 97 -15.128 14.550 -12.244 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.012 13.926 -9.788 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.812 15.450 -9.458 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.862 12.895 -12.208 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -19.243 12.066 -11.677 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.698 15.581 -7.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -21.129 12.303 -9.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -19.735 15.231 -6.621 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.418 13.537 -7.309 1.00 0.00 H new ATOM 220 N SER A 98 -16.798 16.447 -12.650 1.00 0.00 N ATOM 221 CA SER A 98 -17.523 17.564 -13.247 1.00 0.00 C ATOM 222 C SER A 98 -18.065 18.556 -12.203 1.00 0.00 C ATOM 223 O SER A 98 -18.333 19.716 -12.535 1.00 0.00 O ATOM 224 CB SER A 98 -18.662 16.996 -14.106 1.00 0.00 C ATOM 225 OG SER A 98 -18.188 15.954 -14.956 1.00 0.00 O ATOM 0 H SER A 98 -17.196 15.539 -12.892 1.00 0.00 H new ATOM 0 HA SER A 98 -16.828 18.135 -13.862 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.453 16.613 -13.461 1.00 0.00 H new ATOM 0 HB3 SER A 98 -19.100 17.792 -14.709 1.00 0.00 H new ATOM 0 HG SER A 98 -18.931 15.606 -15.492 1.00 0.00 H new ATOM 231 N ASP A 99 -18.208 18.119 -10.946 1.00 0.00 N ATOM 232 CA ASP A 99 -18.596 18.965 -9.821 1.00 0.00 C ATOM 233 C ASP A 99 -17.653 20.161 -9.623 1.00 0.00 C ATOM 234 O ASP A 99 -18.130 21.288 -9.471 1.00 0.00 O ATOM 235 CB ASP A 99 -18.624 18.139 -8.544 1.00 0.00 C ATOM 236 CG ASP A 99 -18.829 19.039 -7.319 1.00 0.00 C ATOM 237 OD1 ASP A 99 -19.975 19.484 -7.066 1.00 0.00 O ATOM 238 OD2 ASP A 99 -17.823 19.294 -6.612 1.00 0.00 O ATOM 0 H ASP A 99 -18.053 17.146 -10.682 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.586 19.360 -10.049 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.426 17.403 -8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.690 17.586 -8.443 1.00 0.00 H new ATOM 243 N SER A 100 -16.330 19.932 -9.625 1.00 0.00 N ATOM 244 CA SER A 100 -15.343 20.970 -9.321 1.00 0.00 C ATOM 245 C SER A 100 -13.917 20.526 -9.676 1.00 0.00 C ATOM 246 O SER A 100 -13.301 21.067 -10.599 1.00 0.00 O ATOM 247 CB SER A 100 -15.426 21.349 -7.826 1.00 0.00 C ATOM 248 OG SER A 100 -15.435 20.210 -6.973 1.00 0.00 O ATOM 0 H SER A 100 -15.919 19.023 -9.837 1.00 0.00 H new ATOM 0 HA SER A 100 -15.576 21.841 -9.933 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.579 21.985 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.329 21.935 -7.653 1.00 0.00 H new ATOM 0 HG SER A 100 -16.334 20.085 -6.603 1.00 0.00 H new ATOM 254 N ARG A 101 -13.385 19.554 -8.925 1.00 0.00 N ATOM 255 CA ARG A 101 -11.986 19.112 -8.938 1.00 0.00 C ATOM 256 C ARG A 101 -11.912 17.662 -8.468 1.00 0.00 C ATOM 257 O ARG A 101 -12.887 16.931 -8.614 1.00 0.00 O ATOM 258 CB ARG A 101 -11.088 20.074 -8.113 1.00 0.00 C ATOM 259 CG ARG A 101 -11.108 19.994 -6.564 1.00 0.00 C ATOM 260 CD ARG A 101 -12.497 19.897 -5.924 1.00 0.00 C ATOM 261 NE ARG A 101 -12.437 19.498 -4.508 1.00 0.00 N ATOM 262 CZ ARG A 101 -13.506 19.264 -3.734 1.00 0.00 C ATOM 263 NH1 ARG A 101 -14.739 19.424 -4.215 1.00 0.00 N ATOM 264 NH2 ARG A 101 -13.325 18.863 -2.479 1.00 0.00 N ATOM 0 H ARG A 101 -13.948 19.028 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.594 19.147 -9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.059 19.918 -8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.358 21.093 -8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.524 19.127 -6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.605 20.875 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.000 20.861 -6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.099 19.176 -6.477 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.515 19.392 -4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.875 19.727 -5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.547 19.244 -3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.381 18.737 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.131 18.682 -1.880 1.00 0.00 H new ATOM 278 N PHE A 102 -10.752 17.249 -7.964 1.00 0.00 N ATOM 279 CA PHE A 102 -10.427 15.927 -7.465 1.00 0.00 C ATOM 280 C PHE A 102 -11.457 15.297 -6.522 1.00 0.00 C ATOM 281 O PHE A 102 -11.930 15.931 -5.577 1.00 0.00 O ATOM 282 CB PHE A 102 -9.068 16.016 -6.756 1.00 0.00 C ATOM 283 CG PHE A 102 -7.971 16.533 -7.664 1.00 0.00 C ATOM 284 CD1 PHE A 102 -7.711 15.860 -8.869 1.00 0.00 C ATOM 285 CD2 PHE A 102 -7.222 17.682 -7.331 1.00 0.00 C ATOM 286 CE1 PHE A 102 -6.766 16.368 -9.762 1.00 0.00 C ATOM 287 CE2 PHE A 102 -6.252 18.172 -8.226 1.00 0.00 C ATOM 288 CZ PHE A 102 -6.025 17.511 -9.447 1.00 0.00 C ATOM 0 H PHE A 102 -9.957 17.884 -7.891 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.414 15.267 -8.332 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.156 16.671 -5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.791 15.030 -6.383 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.242 14.950 -9.105 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.393 18.185 -6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.605 15.872 -10.708 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.682 19.055 -7.975 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.283 17.884 -10.137 1.00 0.00 H new ATOM 298 N TYR A 103 -11.678 14.002 -6.752 1.00 0.00 N ATOM 299 CA TYR A 103 -12.409 13.033 -5.942 1.00 0.00 C ATOM 300 C TYR A 103 -11.665 11.699 -6.134 1.00 0.00 C ATOM 301 O TYR A 103 -10.962 11.546 -7.140 1.00 0.00 O ATOM 302 CB TYR A 103 -13.858 12.892 -6.426 1.00 0.00 C ATOM 303 CG TYR A 103 -14.761 14.048 -6.053 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.855 15.153 -6.907 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.503 14.023 -4.860 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.689 16.239 -6.600 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.383 15.077 -4.562 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.464 16.204 -5.413 1.00 0.00 C ATOM 309 OH TYR A 103 -17.295 17.223 -5.056 1.00 0.00 O ATOM 0 H TYR A 103 -11.311 13.564 -7.597 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.451 13.342 -4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.856 12.784 -7.511 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.277 11.973 -6.015 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.275 15.170 -7.818 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.397 13.196 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.740 17.092 -7.260 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.001 15.026 -3.678 1.00 0.00 H new ATOM 0 HH TYR A 103 -17.161 17.982 -5.661 1.00 0.00 H new ATOM 319 N PRO A 104 -11.775 10.733 -5.210 1.00 0.00 N ATOM 320 CA PRO A 104 -11.123 9.440 -5.379 1.00 0.00 C ATOM 321 C PRO A 104 -11.797 8.633 -6.498 1.00 0.00 C ATOM 322 O PRO A 104 -13.015 8.712 -6.686 1.00 0.00 O ATOM 323 CB PRO A 104 -11.192 8.775 -4.000 1.00 0.00 C ATOM 324 CG PRO A 104 -12.437 9.397 -3.357 1.00 0.00 C ATOM 325 CD PRO A 104 -12.463 10.813 -3.929 1.00 0.00 C ATOM 0 HA PRO A 104 -10.084 9.521 -5.699 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.283 7.692 -4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.296 8.976 -3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.340 8.844 -3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.366 9.405 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.487 11.165 -4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.965 11.515 -3.260 1.00 0.00 H new ATOM 333 N ALA A 105 -11.000 7.852 -7.230 1.00 0.00 N ATOM 334 CA ALA A 105 -11.427 7.001 -8.330 1.00 0.00 C ATOM 335 C ALA A 105 -10.460 5.822 -8.458 1.00 0.00 C ATOM 336 O ALA A 105 -9.292 5.937 -8.080 1.00 0.00 O ATOM 337 CB ALA A 105 -11.398 7.820 -9.622 1.00 0.00 C ATOM 0 H ALA A 105 -9.996 7.797 -7.060 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.435 6.628 -8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.716 7.195 -10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.073 8.671 -9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.385 8.179 -9.803 1.00 0.00 H new ATOM 343 N LYS A 106 -10.921 4.713 -9.034 1.00 0.00 N ATOM 344 CA LYS A 106 -10.094 3.561 -9.380 1.00 0.00 C ATOM 345 C LYS A 106 -9.412 3.851 -10.720 1.00 0.00 C ATOM 346 O LYS A 106 -10.088 4.308 -11.643 1.00 0.00 O ATOM 347 CB LYS A 106 -11.030 2.336 -9.447 1.00 0.00 C ATOM 348 CG LYS A 106 -10.356 1.019 -9.865 1.00 0.00 C ATOM 349 CD LYS A 106 -11.341 -0.156 -9.747 1.00 0.00 C ATOM 350 CE LYS A 106 -10.671 -1.478 -10.155 1.00 0.00 C ATOM 351 NZ LYS A 106 -11.600 -2.642 -10.075 1.00 0.00 N ATOM 0 H LYS A 106 -11.903 4.589 -9.278 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.312 3.362 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.489 2.196 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.835 2.552 -10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.997 1.098 -10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.485 0.835 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.704 -0.229 -8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.209 0.027 -10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.292 -1.390 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.811 -1.659 -9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.098 -3.507 -10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.942 -2.746 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.408 -2.485 -10.710 1.00 0.00 H new ATOM 365 N VAL A 107 -8.115 3.584 -10.873 1.00 0.00 N ATOM 366 CA VAL A 107 -7.452 3.635 -12.181 1.00 0.00 C ATOM 367 C VAL A 107 -7.913 2.427 -12.993 1.00 0.00 C ATOM 368 O VAL A 107 -7.827 1.298 -12.501 1.00 0.00 O ATOM 369 CB VAL A 107 -5.919 3.581 -12.033 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.194 3.645 -13.384 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.339 4.720 -11.200 1.00 0.00 C ATOM 0 H VAL A 107 -7.497 3.328 -10.103 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.714 4.570 -12.676 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.754 2.626 -11.534 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.117 3.603 -13.221 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.501 2.801 -14.002 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.449 4.576 -13.890 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.256 4.613 -11.142 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.585 5.674 -11.667 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.761 4.688 -10.196 1.00 0.00 H new ATOM 381 N THR A 108 -8.290 2.641 -14.249 1.00 0.00 N ATOM 382 CA THR A 108 -8.593 1.569 -15.185 1.00 0.00 C ATOM 383 C THR A 108 -7.508 1.493 -16.281 1.00 0.00 C ATOM 384 O THR A 108 -7.199 0.390 -16.734 1.00 0.00 O ATOM 385 CB THR A 108 -10.031 1.748 -15.698 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.232 3.077 -16.140 1.00 0.00 O ATOM 387 CG2 THR A 108 -11.049 1.499 -14.582 1.00 0.00 C ATOM 0 H THR A 108 -8.394 3.574 -14.648 1.00 0.00 H new ATOM 0 HA THR A 108 -8.563 0.594 -14.699 1.00 0.00 H new ATOM 0 HB THR A 108 -10.170 1.034 -16.510 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.151 3.178 -16.466 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.058 1.633 -14.973 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.937 0.482 -14.208 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.878 2.205 -13.770 1.00 0.00 H new ATOM 395 N ALA A 109 -6.882 2.616 -16.672 1.00 0.00 N ATOM 396 CA ALA A 109 -5.690 2.638 -17.526 1.00 0.00 C ATOM 397 C ALA A 109 -4.846 3.880 -17.244 1.00 0.00 C ATOM 398 O ALA A 109 -5.329 4.857 -16.671 1.00 0.00 O ATOM 399 CB ALA A 109 -6.075 2.560 -19.012 1.00 0.00 C ATOM 0 H ALA A 109 -7.198 3.546 -16.398 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.089 1.759 -17.291 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.173 2.578 -19.623 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.621 1.635 -19.198 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.705 3.411 -19.270 1.00 0.00 H new ATOM 405 N VAL A 110 -3.596 3.854 -17.700 1.00 0.00 N ATOM 406 CA VAL A 110 -2.651 4.965 -17.659 1.00 0.00 C ATOM 407 C VAL A 110 -1.946 4.936 -19.019 1.00 0.00 C ATOM 408 O VAL A 110 -1.649 3.850 -19.528 1.00 0.00 O ATOM 409 CB VAL A 110 -1.653 4.782 -16.493 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.715 5.993 -16.350 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.351 4.571 -15.144 1.00 0.00 C ATOM 0 H VAL A 110 -3.197 3.019 -18.128 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.140 5.924 -17.487 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.082 3.889 -16.747 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -0.029 5.826 -15.520 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.146 6.123 -17.270 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.305 6.889 -16.158 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.602 4.448 -14.362 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.974 5.436 -14.917 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.974 3.678 -15.193 1.00 0.00 H new ATOM 421 N ASN A 111 -1.678 6.106 -19.608 1.00 0.00 N ATOM 422 CA ASN A 111 -1.163 6.230 -20.967 1.00 0.00 C ATOM 423 C ASN A 111 0.025 7.183 -20.906 1.00 0.00 C ATOM 424 O ASN A 111 -0.148 8.365 -20.596 1.00 0.00 O ATOM 425 CB ASN A 111 -2.240 6.793 -21.914 1.00 0.00 C ATOM 426 CG ASN A 111 -3.559 6.015 -21.946 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.580 4.785 -21.975 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.688 6.713 -21.939 1.00 0.00 N ATOM 0 H ASN A 111 -1.816 7.004 -19.144 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.869 5.254 -21.352 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.452 7.822 -21.625 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.831 6.824 -22.924 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.586 6.230 -21.958 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.657 7.732 -21.915 1.00 0.00 H new ATOM 435 N LYS A 112 1.230 6.691 -21.211 1.00 0.00 N ATOM 436 CA LYS A 112 2.474 7.467 -21.111 1.00 0.00 C ATOM 437 C LYS A 112 2.467 8.714 -22.010 1.00 0.00 C ATOM 438 O LYS A 112 3.194 9.669 -21.736 1.00 0.00 O ATOM 439 CB LYS A 112 3.666 6.533 -21.397 1.00 0.00 C ATOM 440 CG LYS A 112 5.013 7.148 -20.981 1.00 0.00 C ATOM 441 CD LYS A 112 6.159 6.141 -21.131 1.00 0.00 C ATOM 442 CE LYS A 112 7.480 6.777 -20.675 1.00 0.00 C ATOM 443 NZ LYS A 112 8.631 5.846 -20.807 1.00 0.00 N ATOM 0 H LYS A 112 1.372 5.735 -21.537 1.00 0.00 H new ATOM 0 HA LYS A 112 2.568 7.857 -20.098 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.521 5.592 -20.866 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.691 6.298 -22.461 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.217 8.027 -21.592 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.956 7.485 -19.946 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.951 5.250 -20.538 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.239 5.821 -22.170 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.671 7.673 -21.265 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.389 7.093 -19.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.500 6.320 -20.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.463 5.001 -20.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.737 5.564 -21.802 1.00 0.00 H new ATOM 457 N ASP A 113 1.616 8.733 -23.042 1.00 0.00 N ATOM 458 CA ASP A 113 1.357 9.915 -23.873 1.00 0.00 C ATOM 459 C ASP A 113 0.972 11.145 -23.039 1.00 0.00 C ATOM 460 O ASP A 113 1.311 12.271 -23.414 1.00 0.00 O ATOM 461 CB ASP A 113 0.246 9.604 -24.878 1.00 0.00 C ATOM 462 CG ASP A 113 -0.053 10.819 -25.775 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.776 11.132 -26.663 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.117 11.460 -25.603 1.00 0.00 O ATOM 0 H ASP A 113 1.079 7.914 -23.328 1.00 0.00 H new ATOM 0 HA ASP A 113 2.283 10.155 -24.396 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.539 8.756 -25.497 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.658 9.312 -24.345 1.00 0.00 H new ATOM 469 N GLY A 114 0.309 10.935 -21.895 1.00 0.00 N ATOM 470 CA GLY A 114 -0.007 11.976 -20.920 1.00 0.00 C ATOM 471 C GLY A 114 -1.452 11.907 -20.432 1.00 0.00 C ATOM 472 O GLY A 114 -1.990 12.935 -20.013 1.00 0.00 O ATOM 0 H GLY A 114 -0.029 10.013 -21.619 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.665 11.885 -20.067 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.175 12.954 -21.366 1.00 0.00 H new ATOM 476 N THR A 115 -2.109 10.745 -20.514 1.00 0.00 N ATOM 477 CA THR A 115 -3.536 10.620 -20.229 1.00 0.00 C ATOM 478 C THR A 115 -3.793 9.440 -19.286 1.00 0.00 C ATOM 479 O THR A 115 -2.902 8.641 -18.980 1.00 0.00 O ATOM 480 CB THR A 115 -4.361 10.614 -21.539 1.00 0.00 C ATOM 481 OG1 THR A 115 -4.014 9.515 -22.355 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.132 11.884 -22.370 1.00 0.00 C ATOM 0 H THR A 115 -1.663 9.867 -20.780 1.00 0.00 H new ATOM 0 HA THR A 115 -3.888 11.497 -19.686 1.00 0.00 H new ATOM 0 HB THR A 115 -5.405 10.554 -21.232 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.551 9.534 -23.175 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.731 11.836 -23.280 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.425 12.758 -21.788 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.077 11.961 -22.633 1.00 0.00 H new ATOM 490 N TYR A 116 -5.022 9.360 -18.795 1.00 0.00 N ATOM 491 CA TYR A 116 -5.468 8.489 -17.729 1.00 0.00 C ATOM 492 C TYR A 116 -6.874 8.029 -18.073 1.00 0.00 C ATOM 493 O TYR A 116 -7.629 8.781 -18.690 1.00 0.00 O ATOM 494 CB TYR A 116 -5.532 9.327 -16.440 1.00 0.00 C ATOM 495 CG TYR A 116 -4.342 9.181 -15.518 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.281 8.085 -14.636 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.303 10.131 -15.530 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.203 7.955 -13.745 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.223 10.010 -14.636 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.172 8.920 -13.740 1.00 0.00 C ATOM 501 OH TYR A 116 -1.127 8.806 -12.873 1.00 0.00 O ATOM 0 H TYR A 116 -5.778 9.941 -19.157 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.802 7.636 -17.602 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.633 10.377 -16.713 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.433 9.052 -15.891 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.065 7.342 -14.645 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.335 10.955 -16.227 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.163 7.118 -13.064 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.435 10.749 -14.635 1.00 0.00 H new ATOM 0 HH TYR A 116 -1.351 8.157 -12.174 1.00 0.00 H new ATOM 511 N THR A 117 -7.257 6.854 -17.586 1.00 0.00 N ATOM 512 CA THR A 117 -8.629 6.376 -17.644 1.00 0.00 C ATOM 513 C THR A 117 -8.954 5.913 -16.229 1.00 0.00 C ATOM 514 O THR A 117 -8.143 5.226 -15.590 1.00 0.00 O ATOM 515 CB THR A 117 -8.795 5.267 -18.701 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.064 5.578 -19.882 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.270 5.083 -19.078 1.00 0.00 C ATOM 0 H THR A 117 -6.615 6.202 -17.136 1.00 0.00 H new ATOM 0 HA THR A 117 -9.325 7.153 -17.960 1.00 0.00 H new ATOM 0 HB THR A 117 -8.412 4.346 -18.262 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.182 4.860 -20.538 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.359 4.295 -19.825 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.841 4.808 -18.191 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.660 6.015 -19.486 1.00 0.00 H new ATOM 525 N VAL A 118 -10.100 6.342 -15.703 1.00 0.00 N ATOM 526 CA VAL A 118 -10.479 6.104 -14.318 1.00 0.00 C ATOM 527 C VAL A 118 -11.960 5.748 -14.264 1.00 0.00 C ATOM 528 O VAL A 118 -12.737 6.165 -15.127 1.00 0.00 O ATOM 529 CB VAL A 118 -10.147 7.330 -13.437 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.637 7.580 -13.305 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.803 8.626 -13.939 1.00 0.00 C ATOM 0 H VAL A 118 -10.795 6.868 -16.233 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.905 5.268 -13.918 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.558 7.074 -12.461 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.466 8.453 -12.675 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.162 6.709 -12.854 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.210 7.756 -14.292 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.532 9.450 -13.279 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.456 8.841 -14.950 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.886 8.507 -13.945 1.00 0.00 H new ATOM 541 N LYS A 119 -12.348 5.029 -13.212 1.00 0.00 N ATOM 542 CA LYS A 119 -13.725 4.689 -12.891 1.00 0.00 C ATOM 543 C LYS A 119 -14.026 5.258 -11.513 1.00 0.00 C ATOM 544 O LYS A 119 -13.324 4.946 -10.553 1.00 0.00 O ATOM 545 CB LYS A 119 -13.873 3.161 -12.957 1.00 0.00 C ATOM 546 CG LYS A 119 -15.256 2.663 -12.519 1.00 0.00 C ATOM 547 CD LYS A 119 -15.386 1.159 -12.814 1.00 0.00 C ATOM 548 CE LYS A 119 -16.801 0.673 -12.449 1.00 0.00 C ATOM 549 NZ LYS A 119 -17.004 -0.772 -12.748 1.00 0.00 N ATOM 0 H LYS A 119 -11.682 4.655 -12.536 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.441 5.113 -13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.682 2.829 -13.977 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.113 2.702 -12.325 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.399 2.848 -11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -16.035 3.215 -13.045 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.187 0.968 -13.869 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.643 0.602 -12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.980 0.850 -11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.536 1.261 -12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.971 -1.049 -12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.861 -0.940 -13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.322 -1.338 -12.204 1.00 0.00 H new ATOM 563 N PHE A 120 -15.042 6.106 -11.417 1.00 0.00 N ATOM 564 CA PHE A 120 -15.572 6.555 -10.140 1.00 0.00 C ATOM 565 C PHE A 120 -16.447 5.430 -9.585 1.00 0.00 C ATOM 566 O PHE A 120 -17.096 4.712 -10.347 1.00 0.00 O ATOM 567 CB PHE A 120 -16.391 7.838 -10.339 1.00 0.00 C ATOM 568 CG PHE A 120 -15.566 9.058 -10.710 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.643 9.593 -9.788 1.00 0.00 C ATOM 570 CD2 PHE A 120 -15.713 9.666 -11.971 1.00 0.00 C ATOM 571 CE1 PHE A 120 -13.886 10.733 -10.116 1.00 0.00 C ATOM 572 CE2 PHE A 120 -14.957 10.804 -12.301 1.00 0.00 C ATOM 573 CZ PHE A 120 -14.045 11.338 -11.373 1.00 0.00 C ATOM 0 H PHE A 120 -15.522 6.502 -12.226 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.768 6.781 -9.440 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -17.132 7.664 -11.120 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.939 8.051 -9.421 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.516 9.125 -8.823 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -16.409 9.256 -12.688 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.185 11.141 -9.403 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -15.077 11.269 -13.268 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.467 12.214 -11.627 1.00 0.00 H new ATOM 583 N TYR A 121 -16.504 5.302 -8.260 1.00 0.00 N ATOM 584 CA TYR A 121 -17.188 4.191 -7.589 1.00 0.00 C ATOM 585 C TYR A 121 -18.707 4.208 -7.822 1.00 0.00 C ATOM 586 O TYR A 121 -19.358 3.167 -7.719 1.00 0.00 O ATOM 587 CB TYR A 121 -16.858 4.227 -6.092 1.00 0.00 C ATOM 588 CG TYR A 121 -15.384 4.459 -5.821 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.440 3.450 -6.100 1.00 0.00 C ATOM 590 CD2 TYR A 121 -14.955 5.693 -5.300 1.00 0.00 C ATOM 591 CE1 TYR A 121 -13.070 3.675 -5.880 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.587 5.929 -5.093 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.637 4.923 -5.378 1.00 0.00 C ATOM 594 OH TYR A 121 -11.315 5.168 -5.169 1.00 0.00 O ATOM 0 H TYR A 121 -16.076 5.968 -7.617 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.826 3.258 -8.022 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.439 5.016 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.163 3.286 -5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -14.772 2.497 -6.486 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.678 6.459 -5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.351 2.898 -6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.259 6.885 -4.714 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.815 4.327 -5.218 1.00 0.00 H new ATOM 604 N ASP A 122 -19.268 5.374 -8.169 1.00 0.00 N ATOM 605 CA ASP A 122 -20.671 5.514 -8.569 1.00 0.00 C ATOM 606 C ASP A 122 -20.994 4.727 -9.850 1.00 0.00 C ATOM 607 O ASP A 122 -22.134 4.299 -10.036 1.00 0.00 O ATOM 608 CB ASP A 122 -20.995 6.996 -8.771 1.00 0.00 C ATOM 609 CG ASP A 122 -22.489 7.204 -9.070 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.310 7.048 -8.133 1.00 0.00 O ATOM 611 OD2 ASP A 122 -22.843 7.524 -10.231 1.00 0.00 O ATOM 0 H ASP A 122 -18.754 6.255 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.288 5.098 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.719 7.556 -7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.399 7.392 -9.593 1.00 0.00 H new ATOM 616 N GLY A 123 -19.991 4.506 -10.714 1.00 0.00 N ATOM 617 CA GLY A 123 -20.093 3.703 -11.931 1.00 0.00 C ATOM 618 C GLY A 123 -19.592 4.443 -13.175 1.00 0.00 C ATOM 619 O GLY A 123 -19.313 3.800 -14.189 1.00 0.00 O ATOM 0 H GLY A 123 -19.059 4.896 -10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.519 2.785 -11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.132 3.411 -12.082 1.00 0.00 H new ATOM 623 N VAL A 124 -19.484 5.777 -13.121 1.00 0.00 N ATOM 624 CA VAL A 124 -19.030 6.614 -14.234 1.00 0.00 C ATOM 625 C VAL A 124 -17.569 6.267 -14.563 1.00 0.00 C ATOM 626 O VAL A 124 -16.767 6.011 -13.663 1.00 0.00 O ATOM 627 CB VAL A 124 -19.228 8.108 -13.873 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.770 9.065 -14.985 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.706 8.415 -13.571 1.00 0.00 C ATOM 0 H VAL A 124 -19.715 6.313 -12.285 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.620 6.422 -15.130 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.608 8.273 -12.991 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -18.936 10.095 -14.670 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.709 8.912 -15.183 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.340 8.867 -15.893 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.815 9.470 -13.321 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.312 8.186 -14.448 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -21.040 7.807 -12.730 1.00 0.00 H new ATOM 639 N VAL A 125 -17.206 6.319 -15.848 1.00 0.00 N ATOM 640 CA VAL A 125 -15.853 6.088 -16.353 1.00 0.00 C ATOM 641 C VAL A 125 -15.528 7.267 -17.279 1.00 0.00 C ATOM 642 O VAL A 125 -16.423 7.764 -17.972 1.00 0.00 O ATOM 643 CB VAL A 125 -15.796 4.727 -17.094 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.390 4.401 -17.627 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.232 3.554 -16.203 1.00 0.00 C ATOM 0 H VAL A 125 -17.872 6.531 -16.591 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.116 6.035 -15.551 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.490 4.841 -17.927 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.408 3.438 -18.137 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.078 5.176 -18.327 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.687 4.358 -16.795 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.174 2.625 -16.770 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.574 3.492 -15.336 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.258 3.712 -15.870 1.00 0.00 H new ATOM 655 N GLN A 126 -14.269 7.718 -17.296 1.00 0.00 N ATOM 656 CA GLN A 126 -13.817 8.795 -18.178 1.00 0.00 C ATOM 657 C GLN A 126 -12.348 8.604 -18.553 1.00 0.00 C ATOM 658 O GLN A 126 -11.585 8.015 -17.784 1.00 0.00 O ATOM 659 CB GLN A 126 -14.055 10.172 -17.513 1.00 0.00 C ATOM 660 CG GLN A 126 -13.383 10.364 -16.137 1.00 0.00 C ATOM 661 CD GLN A 126 -13.504 11.787 -15.577 1.00 0.00 C ATOM 662 OE1 GLN A 126 -14.260 12.626 -16.064 1.00 0.00 O ATOM 663 NE2 GLN A 126 -12.748 12.087 -14.530 1.00 0.00 N ATOM 0 H GLN A 126 -13.534 7.344 -16.696 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.400 8.761 -19.098 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.695 10.950 -18.187 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.129 10.321 -17.399 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.827 9.666 -15.427 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.327 10.106 -16.220 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -12.124 11.384 -14.133 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -12.790 13.021 -14.121 1.00 0.00 H new ATOM 672 N THR A 127 -11.952 9.166 -19.698 1.00 0.00 N ATOM 673 CA THR A 127 -10.561 9.287 -20.121 1.00 0.00 C ATOM 674 C THR A 127 -10.240 10.779 -19.996 1.00 0.00 C ATOM 675 O THR A 127 -11.012 11.623 -20.466 1.00 0.00 O ATOM 676 CB THR A 127 -10.348 8.751 -21.550 1.00 0.00 C ATOM 677 OG1 THR A 127 -11.025 7.517 -21.751 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.860 8.549 -21.857 1.00 0.00 C ATOM 0 H THR A 127 -12.610 9.559 -20.372 1.00 0.00 H new ATOM 0 HA THR A 127 -9.891 8.686 -19.506 1.00 0.00 H new ATOM 0 HB THR A 127 -10.759 9.502 -22.225 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.871 7.205 -22.667 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.746 8.170 -22.873 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.337 9.501 -21.764 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.437 7.832 -21.153 1.00 0.00 H new ATOM 686 N VAL A 128 -9.142 11.109 -19.324 1.00 0.00 N ATOM 687 CA VAL A 128 -8.781 12.464 -18.911 1.00 0.00 C ATOM 688 C VAL A 128 -7.251 12.611 -18.951 1.00 0.00 C ATOM 689 O VAL A 128 -6.543 11.655 -19.272 1.00 0.00 O ATOM 690 CB VAL A 128 -9.387 12.753 -17.510 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.874 13.123 -17.582 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.220 11.581 -16.523 1.00 0.00 C ATOM 0 H VAL A 128 -8.451 10.414 -19.040 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.193 13.207 -19.594 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.818 13.605 -17.137 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.250 13.315 -16.577 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.997 14.017 -18.193 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.433 12.300 -18.027 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.664 11.847 -15.564 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.718 10.697 -16.921 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.160 11.369 -16.385 1.00 0.00 H new ATOM 702 N LYS A 129 -6.720 13.802 -18.674 1.00 0.00 N ATOM 703 CA LYS A 129 -5.304 14.123 -18.879 1.00 0.00 C ATOM 704 C LYS A 129 -4.539 14.071 -17.559 1.00 0.00 C ATOM 705 O LYS A 129 -5.142 14.064 -16.488 1.00 0.00 O ATOM 706 CB LYS A 129 -5.198 15.507 -19.550 1.00 0.00 C ATOM 707 CG LYS A 129 -5.907 15.510 -20.915 1.00 0.00 C ATOM 708 CD LYS A 129 -5.695 16.833 -21.665 1.00 0.00 C ATOM 709 CE LYS A 129 -6.399 16.795 -23.032 1.00 0.00 C ATOM 710 NZ LYS A 129 -6.204 18.051 -23.806 1.00 0.00 N ATOM 0 H LYS A 129 -7.264 14.579 -18.298 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.848 13.381 -19.534 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.642 16.264 -18.903 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.149 15.773 -19.680 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.533 14.685 -21.521 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.974 15.341 -20.771 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.084 17.661 -21.072 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.629 17.013 -21.803 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.019 15.953 -23.610 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.465 16.625 -22.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.697 17.976 -24.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.590 18.853 -23.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.189 18.202 -23.972 1.00 0.00 H new ATOM 724 N HIS A 130 -3.205 14.107 -17.623 1.00 0.00 N ATOM 725 CA HIS A 130 -2.339 14.250 -16.445 1.00 0.00 C ATOM 726 C HIS A 130 -2.711 15.505 -15.638 1.00 0.00 C ATOM 727 O HIS A 130 -2.751 15.451 -14.412 1.00 0.00 O ATOM 728 CB HIS A 130 -0.867 14.270 -16.899 1.00 0.00 C ATOM 729 CG HIS A 130 0.147 14.588 -15.821 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.318 15.323 -16.032 1.00 0.00 N ATOM 731 CD2 HIS A 130 0.083 14.219 -14.505 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.928 15.388 -14.836 1.00 0.00 C ATOM 733 NE2 HIS A 130 1.205 14.744 -13.901 1.00 0.00 N ATOM 0 H HIS A 130 -2.690 14.037 -18.500 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.483 13.399 -15.780 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.624 13.297 -17.325 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.762 15.003 -17.699 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.692 13.633 -14.034 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.868 15.887 -14.651 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.446 14.659 -12.914 1.00 0.00 H new ATOM 741 N ILE A 131 -3.087 16.609 -16.298 1.00 0.00 N ATOM 742 CA ILE A 131 -3.558 17.815 -15.608 1.00 0.00 C ATOM 743 C ILE A 131 -4.878 17.614 -14.840 1.00 0.00 C ATOM 744 O ILE A 131 -5.291 18.518 -14.110 1.00 0.00 O ATOM 745 CB ILE A 131 -3.642 19.016 -16.578 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.540 18.735 -17.802 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.224 19.419 -16.999 1.00 0.00 C ATOM 748 CD1 ILE A 131 -4.912 19.999 -18.584 1.00 0.00 C ATOM 0 H ILE A 131 -3.073 16.690 -17.315 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.809 18.038 -14.848 1.00 0.00 H new ATOM 0 HB ILE A 131 -4.116 19.846 -16.053 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.027 18.042 -18.469 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.452 18.241 -17.469 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.275 20.266 -17.684 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.648 19.699 -16.117 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.740 18.579 -17.496 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.544 19.730 -19.431 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.452 20.685 -17.931 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.005 20.482 -18.947 1.00 0.00 H new ATOM 760 N HIS A 132 -5.544 16.460 -14.972 1.00 0.00 N ATOM 761 CA HIS A 132 -6.826 16.175 -14.334 1.00 0.00 C ATOM 762 C HIS A 132 -6.732 15.039 -13.310 1.00 0.00 C ATOM 763 O HIS A 132 -7.730 14.750 -12.652 1.00 0.00 O ATOM 764 CB HIS A 132 -7.870 15.778 -15.391 1.00 0.00 C ATOM 765 CG HIS A 132 -8.047 16.710 -16.560 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.237 16.290 -17.878 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.055 18.074 -16.522 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.367 17.413 -18.603 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.262 18.497 -17.817 1.00 0.00 N ATOM 0 H HIS A 132 -5.196 15.686 -15.538 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.122 17.088 -13.817 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.603 14.795 -15.779 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.834 15.673 -14.893 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -7.925 18.698 -15.650 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.533 17.441 -19.670 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.325 19.467 -18.126 1.00 0.00 H new ATOM 777 N VAL A 133 -5.599 14.335 -13.201 1.00 0.00 N ATOM 778 CA VAL A 133 -5.453 13.141 -12.354 1.00 0.00 C ATOM 779 C VAL A 133 -4.073 13.107 -11.694 1.00 0.00 C ATOM 780 O VAL A 133 -3.061 13.392 -12.335 1.00 0.00 O ATOM 781 CB VAL A 133 -5.692 11.848 -13.173 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.718 10.601 -12.273 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.013 11.892 -13.947 1.00 0.00 C ATOM 0 H VAL A 133 -4.746 14.580 -13.704 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.208 13.194 -11.570 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.858 11.787 -13.873 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.888 9.715 -12.884 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.764 10.507 -11.754 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.521 10.697 -11.542 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.138 10.965 -14.506 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.841 12.008 -13.248 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.002 12.734 -14.639 1.00 0.00 H new ATOM 793 N LYS A 134 -4.019 12.678 -10.428 1.00 0.00 N ATOM 794 CA LYS A 134 -2.772 12.411 -9.715 1.00 0.00 C ATOM 795 C LYS A 134 -2.990 11.308 -8.675 1.00 0.00 C ATOM 796 O LYS A 134 -4.100 10.803 -8.525 1.00 0.00 O ATOM 797 CB LYS A 134 -2.211 13.732 -9.130 1.00 0.00 C ATOM 798 CG LYS A 134 -3.144 14.451 -8.140 1.00 0.00 C ATOM 799 CD LYS A 134 -2.503 15.773 -7.695 1.00 0.00 C ATOM 800 CE LYS A 134 -3.414 16.534 -6.723 1.00 0.00 C ATOM 801 NZ LYS A 134 -2.802 17.819 -6.278 1.00 0.00 N ATOM 0 H LYS A 134 -4.852 12.505 -9.866 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.011 12.033 -10.398 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.268 13.518 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -1.987 14.410 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.109 14.643 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.331 13.816 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.544 15.572 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.300 16.393 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.371 16.735 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.620 15.909 -5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.527 18.409 -5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.038 17.623 -5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.414 18.322 -7.101 1.00 0.00 H new ATOM 815 N ALA A 135 -1.921 10.910 -7.985 1.00 0.00 N ATOM 816 CA ALA A 135 -1.952 9.944 -6.892 1.00 0.00 C ATOM 817 C ALA A 135 -2.861 10.428 -5.754 1.00 0.00 C ATOM 818 O ALA A 135 -3.249 11.595 -5.720 1.00 0.00 O ATOM 819 CB ALA A 135 -0.511 9.773 -6.393 1.00 0.00 C ATOM 0 H ALA A 135 -0.984 11.262 -8.178 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.356 8.993 -7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.493 9.056 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.115 9.409 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.130 10.733 -6.044 1.00 0.00 H new ATOM 825 N PHE A 136 -3.176 9.548 -4.788 1.00 0.00 N ATOM 826 CA PHE A 136 -3.836 10.006 -3.559 1.00 0.00 C ATOM 827 C PHE A 136 -2.917 10.985 -2.798 1.00 0.00 C ATOM 828 O PHE A 136 -3.397 11.834 -2.042 1.00 0.00 O ATOM 829 CB PHE A 136 -4.272 8.832 -2.670 1.00 0.00 C ATOM 830 CG PHE A 136 -5.157 9.271 -1.513 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.352 9.969 -1.773 1.00 0.00 C ATOM 832 CD2 PHE A 136 -4.795 8.995 -0.179 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.140 10.458 -0.720 1.00 0.00 C ATOM 834 CE2 PHE A 136 -5.610 9.441 0.877 1.00 0.00 C ATOM 835 CZ PHE A 136 -6.772 10.189 0.609 1.00 0.00 C ATOM 0 H PHE A 136 -2.990 8.546 -4.832 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.747 10.535 -3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -4.808 8.102 -3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.388 8.331 -2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.665 10.130 -2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -3.892 8.441 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.026 11.039 -0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -5.343 9.209 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 136 -7.379 10.555 1.423 1.00 0.00 H new ATOM 845 N SER A 137 -1.605 10.926 -3.064 1.00 0.00 N ATOM 846 CA SER A 137 -0.642 11.900 -2.598 1.00 0.00 C ATOM 847 C SER A 137 -0.952 13.284 -3.177 1.00 0.00 C ATOM 848 O SER A 137 -0.953 13.486 -4.393 1.00 0.00 O ATOM 849 CB SER A 137 0.760 11.446 -3.013 1.00 0.00 C ATOM 850 OG SER A 137 0.973 10.124 -2.560 1.00 0.00 O ATOM 0 H SER A 137 -1.188 10.180 -3.621 1.00 0.00 H new ATOM 0 HA SER A 137 -0.695 11.974 -1.512 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.865 11.493 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.511 12.113 -2.591 1.00 0.00 H new ATOM 0 HG SER A 137 0.632 9.491 -3.226 1.00 0.00 H new ATOM 856 N LYS A 138 -1.193 14.248 -2.279 1.00 0.00 N ATOM 857 CA LYS A 138 -1.532 15.626 -2.626 1.00 0.00 C ATOM 858 C LYS A 138 -0.455 16.278 -3.500 1.00 0.00 C ATOM 859 O LYS A 138 -0.795 17.014 -4.426 1.00 0.00 O ATOM 860 CB LYS A 138 -1.731 16.409 -1.314 1.00 0.00 C ATOM 861 CG LYS A 138 -2.136 17.882 -1.511 1.00 0.00 C ATOM 862 CD LYS A 138 -2.508 18.595 -0.200 1.00 0.00 C ATOM 863 CE LYS A 138 -1.378 18.578 0.846 1.00 0.00 C ATOM 864 NZ LYS A 138 -1.700 19.420 2.032 1.00 0.00 N ATOM 0 H LYS A 138 -1.156 14.084 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.448 15.637 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.496 15.910 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -0.806 16.372 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.313 18.417 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -2.984 17.930 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -2.774 19.629 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -3.393 18.121 0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -1.198 17.552 1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -0.455 18.935 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -0.913 19.380 2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -1.846 20.404 1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -2.566 19.065 2.485 1.00 0.00 H new ATOM 878 N ASP A 139 0.819 16.023 -3.188 1.00 0.00 N ATOM 879 CA ASP A 139 1.941 16.747 -3.782 1.00 0.00 C ATOM 880 C ASP A 139 2.131 16.475 -5.275 1.00 0.00 C ATOM 881 O ASP A 139 1.955 17.397 -6.075 1.00 0.00 O ATOM 882 CB ASP A 139 3.230 16.436 -3.013 1.00 0.00 C ATOM 883 CG ASP A 139 4.434 17.178 -3.623 1.00 0.00 C ATOM 884 OD1 ASP A 139 4.412 18.432 -3.678 1.00 0.00 O ATOM 885 OD2 ASP A 139 5.407 16.510 -4.044 1.00 0.00 O ATOM 0 H ASP A 139 1.099 15.308 -2.516 1.00 0.00 H new ATOM 0 HA ASP A 139 1.702 17.807 -3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 139 3.112 16.725 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.416 15.362 -3.028 1.00 0.00 H new ATOM 890 N GLN A 140 2.460 15.232 -5.665 1.00 0.00 N ATOM 891 CA GLN A 140 2.892 14.909 -7.030 1.00 0.00 C ATOM 892 C GLN A 140 2.519 13.477 -7.445 1.00 0.00 C ATOM 893 O GLN A 140 2.137 12.646 -6.621 1.00 0.00 O ATOM 894 CB GLN A 140 4.423 15.121 -7.124 1.00 0.00 C ATOM 895 CG GLN A 140 4.814 16.583 -7.414 1.00 0.00 C ATOM 896 CD GLN A 140 6.326 16.803 -7.487 1.00 0.00 C ATOM 897 OE1 GLN A 140 6.900 16.982 -8.562 1.00 0.00 O ATOM 898 NE2 GLN A 140 7.000 16.798 -6.347 1.00 0.00 N ATOM 0 H GLN A 140 2.433 14.425 -5.041 1.00 0.00 H new ATOM 0 HA GLN A 140 2.371 15.572 -7.721 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.885 14.806 -6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.825 14.481 -7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.363 16.892 -8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.398 17.224 -6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.510 16.648 -5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 140 8.010 16.944 -6.351 1.00 0.00 H new ATOM 907 N ASN A 141 2.625 13.214 -8.756 1.00 0.00 N ATOM 908 CA ASN A 141 2.264 11.955 -9.422 1.00 0.00 C ATOM 909 C ASN A 141 3.316 10.866 -9.169 1.00 0.00 C ATOM 910 O ASN A 141 4.490 11.188 -8.989 1.00 0.00 O ATOM 911 CB ASN A 141 2.156 12.250 -10.935 1.00 0.00 C ATOM 912 CG ASN A 141 1.538 11.109 -11.724 1.00 0.00 C ATOM 913 OD1 ASN A 141 2.190 10.112 -11.995 1.00 0.00 O ATOM 914 ND2 ASN A 141 0.280 11.219 -12.103 1.00 0.00 N ATOM 0 H ASN A 141 2.982 13.908 -9.412 1.00 0.00 H new ATOM 0 HA ASN A 141 1.319 11.584 -9.026 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.559 13.150 -11.081 1.00 0.00 H new ATOM 0 HB3 ASN A 141 3.150 12.460 -11.330 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.162 10.466 -12.630 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -0.252 12.058 -11.869 1.00 0.00 H new ATOM 921 N ILE A 142 2.935 9.578 -9.209 1.00 0.00 N ATOM 922 CA ILE A 142 3.846 8.452 -8.950 1.00 0.00 C ATOM 923 C ILE A 142 3.609 7.271 -9.932 1.00 0.00 C ATOM 924 O ILE A 142 3.974 6.139 -9.618 1.00 0.00 O ATOM 925 CB ILE A 142 3.825 8.027 -7.448 1.00 0.00 C ATOM 926 CG1 ILE A 142 3.456 9.158 -6.453 1.00 0.00 C ATOM 927 CG2 ILE A 142 5.220 7.483 -7.074 1.00 0.00 C ATOM 928 CD1 ILE A 142 3.441 8.724 -4.982 1.00 0.00 C ATOM 0 H ILE A 142 1.981 9.288 -9.423 1.00 0.00 H new ATOM 0 HA ILE A 142 4.861 8.797 -9.149 1.00 0.00 H new ATOM 0 HB ILE A 142 3.040 7.277 -7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 142 4.167 9.976 -6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.473 9.549 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 142 5.224 7.181 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 142 5.455 6.623 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 142 5.968 8.261 -7.230 1.00 0.00 H new ATOM 0 HD11 ILE A 142 3.174 9.574 -4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 142 2.709 7.928 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.429 8.361 -4.700 1.00 0.00 H new ATOM 940 N VAL A 143 3.036 7.497 -11.130 1.00 0.00 N ATOM 941 CA VAL A 143 2.986 6.452 -12.172 1.00 0.00 C ATOM 942 C VAL A 143 2.958 7.028 -13.598 1.00 0.00 C ATOM 943 O VAL A 143 3.797 6.638 -14.411 1.00 0.00 O ATOM 944 CB VAL A 143 1.847 5.440 -11.886 1.00 0.00 C ATOM 945 CG1 VAL A 143 0.433 6.044 -11.920 1.00 0.00 C ATOM 946 CG2 VAL A 143 1.891 4.225 -12.827 1.00 0.00 C ATOM 0 H VAL A 143 2.606 8.382 -11.399 1.00 0.00 H new ATOM 0 HA VAL A 143 3.921 5.894 -12.124 1.00 0.00 H new ATOM 0 HB VAL A 143 2.042 5.121 -10.862 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.300 5.266 -11.709 1.00 0.00 H new ATOM 0 HG12 VAL A 143 0.355 6.829 -11.168 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.241 6.466 -12.907 1.00 0.00 H new ATOM 0 HG21 VAL A 143 1.072 3.547 -12.585 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.791 4.560 -13.859 1.00 0.00 H new ATOM 0 HG23 VAL A 143 2.841 3.705 -12.705 1.00 0.00 H new ATOM 956 N GLY A 144 2.059 7.973 -13.909 1.00 0.00 N ATOM 957 CA GLY A 144 1.924 8.520 -15.261 1.00 0.00 C ATOM 958 C GLY A 144 3.090 9.439 -15.624 1.00 0.00 C ATOM 959 O GLY A 144 3.531 9.473 -16.775 1.00 0.00 O ATOM 0 H GLY A 144 1.410 8.376 -13.233 1.00 0.00 H new ATOM 0 HA2 GLY A 144 1.869 7.702 -15.980 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.988 9.074 -15.337 1.00 0.00 H new ATOM 963 N ASN A 145 3.621 10.156 -14.627 1.00 0.00 N ATOM 964 CA ASN A 145 4.775 11.050 -14.727 1.00 0.00 C ATOM 965 C ASN A 145 5.432 11.043 -13.345 1.00 0.00 C ATOM 966 O ASN A 145 5.411 12.040 -12.631 1.00 0.00 O ATOM 967 CB ASN A 145 4.314 12.453 -15.177 1.00 0.00 C ATOM 968 CG ASN A 145 5.473 13.436 -15.352 1.00 0.00 C ATOM 969 OD1 ASN A 145 5.549 14.464 -14.679 1.00 0.00 O ATOM 970 ND2 ASN A 145 6.403 13.158 -16.254 1.00 0.00 N ATOM 0 H ASN A 145 3.237 10.125 -13.683 1.00 0.00 H new ATOM 0 HA ASN A 145 5.499 10.727 -15.475 1.00 0.00 H new ATOM 0 HB2 ASN A 145 3.773 12.367 -16.119 1.00 0.00 H new ATOM 0 HB3 ASN A 145 3.614 12.852 -14.443 1.00 0.00 H new ATOM 0 HD21 ASN A 145 7.186 13.797 -16.393 1.00 0.00 H new ATOM 0 HD22 ASN A 145 6.336 12.305 -16.809 1.00 0.00 H new ATOM 977 N ALA A 146 5.867 9.858 -12.903 1.00 0.00 N ATOM 978 CA ALA A 146 6.306 9.614 -11.534 1.00 0.00 C ATOM 979 C ALA A 146 7.435 10.545 -11.075 1.00 0.00 C ATOM 980 O ALA A 146 8.479 10.626 -11.728 1.00 0.00 O ATOM 981 CB ALA A 146 6.713 8.142 -11.374 1.00 0.00 C ATOM 0 H ALA A 146 5.923 9.032 -13.499 1.00 0.00 H new ATOM 0 HA ALA A 146 5.458 9.837 -10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 146 7.040 7.964 -10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 146 5.860 7.502 -11.598 1.00 0.00 H new ATOM 0 HB3 ALA A 146 7.528 7.913 -12.060 1.00 0.00 H new ATOM 987 N ARG A 147 7.218 11.226 -9.939 1.00 0.00 N ATOM 988 CA ARG A 147 8.088 12.295 -9.429 1.00 0.00 C ATOM 989 C ARG A 147 7.812 12.642 -7.953 1.00 0.00 C ATOM 990 O ARG A 147 8.179 13.731 -7.512 1.00 0.00 O ATOM 991 CB ARG A 147 7.912 13.530 -10.345 1.00 0.00 C ATOM 992 CG ARG A 147 6.471 14.071 -10.348 1.00 0.00 C ATOM 993 CD ARG A 147 6.199 14.960 -11.559 1.00 0.00 C ATOM 994 NE ARG A 147 6.793 16.298 -11.398 1.00 0.00 N ATOM 995 CZ ARG A 147 7.044 17.166 -12.386 1.00 0.00 C ATOM 996 NH1 ARG A 147 6.737 16.868 -13.649 1.00 0.00 N ATOM 997 NH2 ARG A 147 7.609 18.337 -12.098 1.00 0.00 N ATOM 0 H ARG A 147 6.415 11.044 -9.337 1.00 0.00 H new ATOM 0 HA ARG A 147 9.122 11.950 -9.451 1.00 0.00 H new ATOM 0 HB2 ARG A 147 8.590 14.318 -10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 147 8.198 13.265 -11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 147 5.770 13.236 -10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 147 6.294 14.638 -9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 147 6.603 14.488 -12.455 1.00 0.00 H new ATOM 0 HD3 ARG A 147 5.123 15.055 -11.706 1.00 0.00 H new ATOM 0 HE ARG A 147 7.034 16.589 -10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 147 6.306 15.971 -13.871 1.00 0.00 H new ATOM 0 HH12 ARG A 147 6.933 17.538 -14.393 1.00 0.00 H new ATOM 0 HH21 ARG A 147 7.846 18.565 -11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 147 7.805 19.006 -12.843 1.00 0.00 H new ATOM 1011 N GLY A 200 7.136 11.772 -7.192 1.00 0.00 N ATOM 1012 CA GLY A 200 6.639 12.087 -5.851 1.00 0.00 C ATOM 1013 C GLY A 200 6.637 10.881 -4.926 1.00 0.00 C ATOM 1014 O GLY A 200 7.231 9.844 -5.237 1.00 0.00 O ATOM 0 H GLY A 200 6.918 10.823 -7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 200 7.256 12.873 -5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 200 5.626 12.482 -5.927 1.00 0.00 H new ATOM 1018 N SER A 201 5.994 11.046 -3.769 1.00 0.00 N ATOM 1019 CA SER A 201 6.047 10.119 -2.647 1.00 0.00 C ATOM 1020 C SER A 201 4.705 10.097 -1.894 1.00 0.00 C ATOM 1021 O SER A 201 3.803 10.879 -2.208 1.00 0.00 O ATOM 1022 CB SER A 201 7.238 10.561 -1.779 1.00 0.00 C ATOM 1023 OG SER A 201 7.104 11.902 -1.326 1.00 0.00 O ATOM 0 H SER A 201 5.403 11.857 -3.585 1.00 0.00 H new ATOM 0 HA SER A 201 6.199 9.088 -2.968 1.00 0.00 H new ATOM 0 HB2 SER A 201 7.326 9.896 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 201 8.160 10.464 -2.353 1.00 0.00 H new ATOM 0 HG SER A 201 7.880 12.141 -0.778 1.00 0.00 H new ATOM 1029 N ARG A 363 4.532 9.159 -0.952 1.00 0.00 N ATOM 1030 CA ARG A 363 3.266 8.953 -0.234 1.00 0.00 C ATOM 1031 C ARG A 363 2.816 10.227 0.495 1.00 0.00 C ATOM 1032 O ARG A 363 3.624 10.872 1.169 1.00 0.00 O ATOM 1033 CB ARG A 363 3.368 7.739 0.713 1.00 0.00 C ATOM 1034 CG ARG A 363 4.377 7.885 1.869 1.00 0.00 C ATOM 1035 CD ARG A 363 4.494 6.585 2.675 1.00 0.00 C ATOM 1036 NE ARG A 363 5.455 6.728 3.786 1.00 0.00 N ATOM 1037 CZ ARG A 363 5.765 5.783 4.686 1.00 0.00 C ATOM 1038 NH1 ARG A 363 5.200 4.576 4.632 1.00 0.00 N ATOM 1039 NH2 ARG A 363 6.648 6.048 5.645 1.00 0.00 N ATOM 0 H ARG A 363 5.271 8.518 -0.665 1.00 0.00 H new ATOM 0 HA ARG A 363 2.491 8.729 -0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 363 2.382 7.546 1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 363 3.640 6.863 0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 363 5.354 8.157 1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 363 4.065 8.696 2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 363 3.516 6.310 3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 363 4.812 5.775 2.019 1.00 0.00 H new ATOM 0 HE ARG A 363 5.927 7.628 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 363 4.523 4.362 3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 363 5.445 3.867 5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 363 7.087 6.967 5.694 1.00 0.00 H new ATOM 0 HH22 ARG A 363 6.886 5.332 6.331 1.00 0.00 H new ATOM 1053 N ALA A 364 1.525 10.561 0.393 1.00 0.00 N ATOM 1054 CA ALA A 364 0.831 11.614 1.139 1.00 0.00 C ATOM 1055 C ALA A 364 -0.686 11.346 1.054 1.00 0.00 C ATOM 1056 O ALA A 364 -1.104 10.303 0.543 1.00 0.00 O ATOM 1057 CB ALA A 364 1.208 12.995 0.564 1.00 0.00 C ATOM 0 H ALA A 364 0.901 10.074 -0.250 1.00 0.00 H new ATOM 0 HA ALA A 364 1.128 11.611 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 364 0.690 13.775 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 364 2.285 13.143 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 364 0.916 13.044 -0.485 1.00 0.00 H new ATOM 1063 N HIS A 365 -1.521 12.289 1.509 1.00 0.00 N ATOM 1064 CA HIS A 365 -2.986 12.203 1.468 1.00 0.00 C ATOM 1065 C HIS A 365 -3.595 13.609 1.381 1.00 0.00 C ATOM 1066 O HIS A 365 -2.867 14.601 1.483 1.00 0.00 O ATOM 1067 CB HIS A 365 -3.492 11.487 2.733 1.00 0.00 C ATOM 1068 CG HIS A 365 -3.171 12.218 4.017 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -3.896 13.295 4.540 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -2.124 11.940 4.850 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -3.255 13.649 5.668 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -2.193 12.852 5.881 1.00 0.00 N ATOM 0 H HIS A 365 -1.186 13.157 1.927 1.00 0.00 H new ATOM 0 HA HIS A 365 -3.288 11.637 0.587 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -4.572 11.358 2.659 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -3.054 10.490 2.774 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -1.388 11.160 4.725 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -3.552 14.462 6.314 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -1.549 12.912 6.670 1.00 0.00 H new ATOM 1080 N SER A 366 -4.916 13.701 1.205 1.00 0.00 N ATOM 1081 CA SER A 366 -5.676 14.944 1.319 1.00 0.00 C ATOM 1082 C SER A 366 -7.119 14.635 1.747 1.00 0.00 C ATOM 1083 O SER A 366 -7.562 13.481 1.716 1.00 0.00 O ATOM 1084 CB SER A 366 -5.629 15.732 -0.002 1.00 0.00 C ATOM 1085 OG SER A 366 -6.028 14.946 -1.114 1.00 0.00 O ATOM 0 H SER A 366 -5.497 12.895 0.974 1.00 0.00 H new ATOM 0 HA SER A 366 -5.223 15.573 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 366 -6.278 16.604 0.075 1.00 0.00 H new ATOM 0 HB3 SER A 366 -4.617 16.102 -0.166 1.00 0.00 H new ATOM 0 HG SER A 366 -5.984 15.487 -1.930 1.00 0.00 H new ATOM 1091 N SER A 367 -7.861 15.678 2.133 1.00 0.00 N ATOM 1092 CA SER A 367 -9.240 15.587 2.609 1.00 0.00 C ATOM 1093 C SER A 367 -10.272 15.451 1.473 1.00 0.00 C ATOM 1094 O SER A 367 -11.472 15.382 1.754 1.00 0.00 O ATOM 1095 CB SER A 367 -9.542 16.834 3.455 1.00 0.00 C ATOM 1096 OG SER A 367 -8.498 17.082 4.398 1.00 0.00 O ATOM 0 H SER A 367 -7.506 16.634 2.122 1.00 0.00 H new ATOM 0 HA SER A 367 -9.329 14.677 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 367 -9.660 17.699 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 367 -10.487 16.700 3.981 1.00 0.00 H new ATOM 0 HG SER A 367 -8.714 17.881 4.922 1.00 0.00 H new ATOM 1102 N HIS A 368 -9.845 15.451 0.204 1.00 0.00 N ATOM 1103 CA HIS A 368 -10.733 15.369 -0.959 1.00 0.00 C ATOM 1104 C HIS A 368 -11.291 13.948 -1.080 1.00 0.00 C ATOM 1105 O HIS A 368 -10.681 13.093 -1.726 1.00 0.00 O ATOM 1106 CB HIS A 368 -9.998 15.803 -2.239 1.00 0.00 C ATOM 1107 CG HIS A 368 -9.550 17.244 -2.219 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -10.393 18.362 -2.150 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -8.253 17.664 -2.266 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -9.572 19.428 -2.136 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -8.287 19.038 -2.214 1.00 0.00 N ATOM 0 H HIS A 368 -8.858 15.509 -0.046 1.00 0.00 H new ATOM 0 HA HIS A 368 -11.569 16.055 -0.822 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -9.128 15.163 -2.383 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -10.654 15.647 -3.095 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -7.373 17.041 -2.331 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -9.900 20.455 -2.071 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -7.476 19.656 -2.232 1.00 0.00 H new ATOM 1119 N LEU A 369 -12.433 13.686 -0.439 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.118 12.395 -0.390 1.00 0.00 C ATOM 1121 C LEU A 369 -14.626 12.639 -0.508 1.00 0.00 C ATOM 1122 O LEU A 369 -15.101 13.773 -0.395 1.00 0.00 O ATOM 1123 CB LEU A 369 -12.814 11.656 0.935 1.00 0.00 C ATOM 1124 CG LEU A 369 -11.340 11.272 1.182 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -11.183 10.723 2.606 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -10.850 10.209 0.188 1.00 0.00 C ATOM 0 H LEU A 369 -12.929 14.406 0.086 1.00 0.00 H new ATOM 0 HA LEU A 369 -12.766 11.772 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.147 12.284 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -13.414 10.746 0.965 1.00 0.00 H new ATOM 0 HG LEU A 369 -10.740 12.172 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -10.141 10.452 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -11.484 11.485 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -11.812 9.841 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -9.808 9.968 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -11.458 9.310 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -10.936 10.594 -0.828 1.00 0.00 H new