USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 92 ASN : amide:sc= -6.51! C(o=-8.5!,f=-20!) USER MOD Set 1.2: A 94 SER OG : rot 130:sc= -2 USER MOD Set 2.1: A 8 SER OG : rot 119:sc= -1.22! USER MOD Set 2.2: A 23 CYS SG : rot 50:sc= -1.57 USER MOD Set 2.3: A 33 SER OG : rot -112:sc= 1.15 USER MOD Single : A 3 ASN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 5 HIS : no HE2:sc= -3.9! X(o=-3.9!,f=-4) USER MOD Single : A 7 SER OG : rot -47:sc= 0.0216 USER MOD Single : A 9 ASN :FLIP amide:sc= -1.42 F(o=-2.8,f=-1.4) USER MOD Single : A 10 ASN :FLIP amide:sc= -5.07! C(o=-7.6!,f=-5.1!) USER MOD Single : A 17 HIS : no HE2:sc= -6.77! C(o=-6.8!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -6.56 K(o=-6.6,f=-9.4!) USER MOD Single : A 25 ASN : amide:sc= -2.29 K(o=-2.3,f=-4.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 79:sc= 0.591 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -4.24! C(o=-4.2!,f=-7.3!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0292 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.764 X(o=-0.76,f=-0.43) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0433 F(o=-0.68,f=-0.043) USER MOD Single : A 80 ASN : amide:sc= -0.622 K(o=-0.62,f=-2.4!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.9 X(o=-0.9,f=-0.46) USER MOD Single : A 99 ASN : amide:sc= -2.11 K(o=-2.1,f=-5.9!) USER MOD Single : A 101 CYS SG : rot 180:sc= -0.093 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.743 -8.663 -4.131 1.00 0.00 N ATOM 21 CA GLY A 2 -5.297 -7.338 -3.929 1.00 0.00 C ATOM 22 C GLY A 2 -5.809 -6.721 -5.209 1.00 0.00 C ATOM 23 O GLY A 2 -5.334 -5.672 -5.646 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.111 -7.395 -3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.533 -6.691 -3.498 1.00 0.00 H new ATOM 27 N ASN A 3 -6.800 -7.372 -5.793 1.00 0.00 N ATOM 28 CA ASN A 3 -7.427 -6.905 -7.017 1.00 0.00 C ATOM 29 C ASN A 3 -8.067 -5.537 -6.811 1.00 0.00 C ATOM 30 O ASN A 3 -8.425 -4.862 -7.774 1.00 0.00 O ATOM 31 CB ASN A 3 -8.475 -7.909 -7.495 1.00 0.00 C ATOM 32 CG ASN A 3 -7.885 -8.975 -8.398 1.00 0.00 C ATOM 33 OD1 ASN A 3 -7.215 -9.897 -7.933 1.00 0.00 O ATOM 34 ND2 ASN A 3 -8.132 -8.853 -9.697 1.00 0.00 N ATOM 0 H ASN A 3 -7.193 -8.241 -5.431 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.654 -6.812 -7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.939 -8.385 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.264 -7.380 -8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.761 -9.540 -10.353 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.693 -8.072 -10.038 1.00 0.00 H new ATOM 41 N PHE A 4 -8.241 -5.142 -5.548 1.00 0.00 N ATOM 42 CA PHE A 4 -8.874 -3.868 -5.227 1.00 0.00 C ATOM 43 C PHE A 4 -8.316 -2.739 -6.093 1.00 0.00 C ATOM 44 O PHE A 4 -9.035 -1.807 -6.448 1.00 0.00 O ATOM 45 CB PHE A 4 -8.675 -3.536 -3.741 1.00 0.00 C ATOM 46 CG PHE A 4 -7.461 -2.691 -3.458 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.188 -3.181 -3.699 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.597 -1.405 -2.959 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.073 -2.405 -3.447 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.485 -0.624 -2.706 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.221 -1.125 -2.949 1.00 0.00 C ATOM 0 H PHE A 4 -7.952 -5.687 -4.735 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.940 -3.961 -5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.560 -3.016 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.596 -4.467 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.066 -4.181 -4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.583 -1.009 -2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.086 -2.799 -3.639 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.604 0.377 -2.319 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.350 -0.518 -2.750 1.00 0.00 H new ATOM 61 N HIS A 5 -7.038 -2.833 -6.435 1.00 0.00 N ATOM 62 CA HIS A 5 -6.399 -1.822 -7.263 1.00 0.00 C ATOM 63 C HIS A 5 -7.070 -1.744 -8.632 1.00 0.00 C ATOM 64 O HIS A 5 -7.194 -0.666 -9.214 1.00 0.00 O ATOM 65 CB HIS A 5 -4.904 -2.129 -7.414 1.00 0.00 C ATOM 66 CG HIS A 5 -4.576 -3.021 -8.575 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.119 -2.541 -9.785 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.645 -4.367 -8.708 1.00 0.00 C ATOM 69 CE1 HIS A 5 -3.923 -3.552 -10.612 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.234 -4.671 -9.983 1.00 0.00 N ATOM 0 H HIS A 5 -6.425 -3.598 -6.152 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.509 -0.854 -6.774 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.361 -1.191 -7.526 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.546 -2.597 -6.497 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -3.958 -1.558 -10.006 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.964 -5.070 -7.953 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.569 -3.477 -11.629 1.00 0.00 H new ATOM 79 N GLU A 6 -7.497 -2.896 -9.140 1.00 0.00 N ATOM 80 CA GLU A 6 -8.152 -2.960 -10.440 1.00 0.00 C ATOM 81 C GLU A 6 -9.625 -2.571 -10.335 1.00 0.00 C ATOM 82 O GLU A 6 -10.236 -2.150 -11.317 1.00 0.00 O ATOM 83 CB GLU A 6 -8.010 -4.366 -11.034 1.00 0.00 C ATOM 84 CG GLU A 6 -8.914 -5.409 -10.391 1.00 0.00 C ATOM 85 CD GLU A 6 -9.775 -6.139 -11.402 1.00 0.00 C ATOM 86 OE1 GLU A 6 -9.300 -6.361 -12.536 1.00 0.00 O ATOM 87 OE2 GLU A 6 -10.925 -6.489 -11.061 1.00 0.00 O ATOM 0 H GLU A 6 -7.401 -3.797 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.664 -2.245 -11.103 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.228 -4.321 -12.101 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.974 -4.688 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.302 -6.132 -9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.556 -4.924 -9.656 1.00 0.00 H new ATOM 94 N SER A 7 -10.191 -2.718 -9.140 1.00 0.00 N ATOM 95 CA SER A 7 -11.593 -2.384 -8.913 1.00 0.00 C ATOM 96 C SER A 7 -11.737 -1.123 -8.062 1.00 0.00 C ATOM 97 O SER A 7 -12.825 -0.822 -7.571 1.00 0.00 O ATOM 98 CB SER A 7 -12.311 -3.552 -8.236 1.00 0.00 C ATOM 99 OG SER A 7 -13.700 -3.528 -8.515 1.00 0.00 O ATOM 0 H SER A 7 -9.701 -3.066 -8.316 1.00 0.00 H new ATOM 0 HA SER A 7 -12.050 -2.191 -9.884 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.884 -4.494 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.153 -3.505 -7.159 1.00 0.00 H new ATOM 0 HG SER A 7 -14.045 -2.621 -8.380 1.00 0.00 H new ATOM 105 N SER A 8 -10.642 -0.384 -7.893 1.00 0.00 N ATOM 106 CA SER A 8 -10.668 0.842 -7.103 1.00 0.00 C ATOM 107 C SER A 8 -10.137 2.020 -7.910 1.00 0.00 C ATOM 108 O SER A 8 -9.382 1.842 -8.866 1.00 0.00 O ATOM 109 CB SER A 8 -9.845 0.677 -5.824 1.00 0.00 C ATOM 110 OG SER A 8 -9.973 1.812 -4.986 1.00 0.00 O ATOM 0 H SER A 8 -9.731 -0.612 -8.291 1.00 0.00 H new ATOM 0 HA SER A 8 -11.705 1.043 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.174 -0.213 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.796 0.526 -6.080 1.00 0.00 H new ATOM 0 HG SER A 8 -10.372 1.545 -4.132 1.00 0.00 H new ATOM 116 N ASN A 9 -10.533 3.225 -7.515 1.00 0.00 N ATOM 117 CA ASN A 9 -10.096 4.434 -8.195 1.00 0.00 C ATOM 118 C ASN A 9 -9.389 5.371 -7.220 1.00 0.00 C ATOM 119 O ASN A 9 -9.552 5.260 -6.006 1.00 0.00 O ATOM 120 CB ASN A 9 -11.289 5.137 -8.850 1.00 0.00 C ATOM 121 CG ASN A 9 -10.953 6.529 -9.348 1.00 0.00 C ATOM 122 OD1 ASN A 9 -11.182 7.526 -8.504 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.492 6.705 -10.476 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.157 3.388 -6.725 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.388 4.156 -8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.646 4.534 -9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.106 5.201 -8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.332 5.908 -11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.270 7.648 -10.795 1.00 0.00 H new ATOM 130 N ASN A 10 -8.599 6.285 -7.766 1.00 0.00 N ATOM 131 CA ASN A 10 -7.851 7.245 -6.964 1.00 0.00 C ATOM 132 C ASN A 10 -6.920 6.525 -5.982 1.00 0.00 C ATOM 133 O ASN A 10 -6.984 6.719 -4.772 1.00 0.00 O ATOM 134 CB ASN A 10 -8.825 8.221 -6.263 1.00 0.00 C ATOM 135 CG ASN A 10 -9.036 7.969 -4.782 1.00 0.00 C ATOM 136 OD1 ASN A 10 -10.068 7.207 -4.460 1.00 0.00 O flip ATOM 137 ND2 ASN A 10 -8.291 8.471 -3.939 1.00 0.00 N flip ATOM 0 H ASN A 10 -8.458 6.382 -8.772 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.210 7.840 -7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.452 9.237 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.791 8.169 -6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.506 9.053 -4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.459 8.305 -2.947 1.00 0.00 H new ATOM 144 N ILE A 11 -6.037 5.692 -6.524 1.00 0.00 N ATOM 145 CA ILE A 11 -5.085 4.952 -5.701 1.00 0.00 C ATOM 146 C ILE A 11 -3.777 5.728 -5.575 1.00 0.00 C ATOM 147 O ILE A 11 -3.090 5.967 -6.569 1.00 0.00 O ATOM 148 CB ILE A 11 -4.779 3.548 -6.277 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.933 3.043 -7.147 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.502 2.562 -5.150 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.225 2.853 -6.385 1.00 0.00 C ATOM 0 H ILE A 11 -5.960 5.513 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.547 4.828 -4.722 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.891 3.629 -6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.101 3.749 -7.960 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.646 2.095 -7.602 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.289 1.579 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.644 2.903 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.375 2.497 -4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.998 2.494 -7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.074 2.124 -5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.535 3.804 -5.952 1.00 0.00 H new ATOM 163 N TRP A 12 -3.439 6.125 -4.353 1.00 0.00 N ATOM 164 CA TRP A 12 -2.214 6.880 -4.109 1.00 0.00 C ATOM 165 C TRP A 12 -1.833 6.842 -2.633 1.00 0.00 C ATOM 166 O TRP A 12 -2.452 6.134 -1.840 1.00 0.00 O ATOM 167 CB TRP A 12 -2.385 8.331 -4.565 1.00 0.00 C ATOM 168 CG TRP A 12 -3.439 9.072 -3.802 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.773 8.787 -3.762 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.249 10.222 -2.969 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.425 9.688 -2.955 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.511 10.579 -2.457 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.135 10.984 -2.605 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.689 11.664 -1.601 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.312 12.061 -1.756 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.581 12.392 -1.263 1.00 0.00 C ATOM 0 H TRP A 12 -3.994 5.938 -3.518 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.412 6.416 -4.684 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.434 8.853 -4.457 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.637 8.344 -5.625 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.247 7.972 -4.288 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.426 9.693 -2.759 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.153 10.736 -2.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.666 11.921 -1.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.458 12.657 -1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.687 13.240 -0.602 1.00 0.00 H new ATOM 187 N LEU A 13 -0.809 7.609 -2.271 1.00 0.00 N ATOM 188 CA LEU A 13 -0.346 7.660 -0.890 1.00 0.00 C ATOM 189 C LEU A 13 -0.141 9.100 -0.431 1.00 0.00 C ATOM 190 O LEU A 13 0.339 9.943 -1.190 1.00 0.00 O ATOM 191 CB LEU A 13 0.956 6.872 -0.740 1.00 0.00 C ATOM 192 CG LEU A 13 1.093 6.091 0.568 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.088 5.149 0.756 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.404 5.320 0.591 1.00 0.00 C ATOM 0 H LEU A 13 -0.285 8.203 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.113 7.208 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.038 6.174 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.794 7.565 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 13 1.097 6.801 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.028 4.602 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.012 5.726 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.126 4.443 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.486 4.770 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.429 4.620 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.238 6.017 0.505 1.00 0.00 H new ATOM 206 N GLU A 14 -0.506 9.374 0.818 1.00 0.00 N ATOM 207 CA GLU A 14 -0.362 10.709 1.385 1.00 0.00 C ATOM 208 C GLU A 14 0.691 10.713 2.488 1.00 0.00 C ATOM 209 O GLU A 14 0.577 9.982 3.472 1.00 0.00 O ATOM 210 CB GLU A 14 -1.704 11.203 1.933 1.00 0.00 C ATOM 211 CG GLU A 14 -1.606 12.501 2.719 1.00 0.00 C ATOM 212 CD GLU A 14 -2.921 12.892 3.366 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.508 12.048 4.075 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.363 14.043 3.163 1.00 0.00 O ATOM 0 H GLU A 14 -0.905 8.687 1.457 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.037 11.384 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.395 11.344 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.130 10.432 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.843 12.398 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.281 13.301 2.054 1.00 0.00 H new ATOM 221 N ASP A 15 1.717 11.537 2.313 1.00 0.00 N ATOM 222 CA ASP A 15 2.797 11.636 3.289 1.00 0.00 C ATOM 223 C ASP A 15 3.496 10.290 3.473 1.00 0.00 C ATOM 224 O ASP A 15 4.201 10.077 4.460 1.00 0.00 O ATOM 225 CB ASP A 15 2.256 12.138 4.630 1.00 0.00 C ATOM 226 CG ASP A 15 2.854 13.472 5.032 1.00 0.00 C ATOM 227 OD1 ASP A 15 3.131 14.293 4.133 1.00 0.00 O ATOM 228 OD2 ASP A 15 3.043 13.696 6.246 1.00 0.00 O ATOM 0 H ASP A 15 1.825 12.148 1.503 1.00 0.00 H new ATOM 0 HA ASP A 15 3.529 12.350 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.172 12.233 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.468 11.400 5.403 1.00 0.00 H new ATOM 233 N GLY A 16 3.304 9.387 2.514 1.00 0.00 N ATOM 234 CA GLY A 16 3.929 8.081 2.586 1.00 0.00 C ATOM 235 C GLY A 16 3.521 7.293 3.817 1.00 0.00 C ATOM 236 O GLY A 16 4.375 6.865 4.594 1.00 0.00 O ATOM 0 H GLY A 16 2.725 9.539 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.669 7.511 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.012 8.202 2.582 1.00 0.00 H new ATOM 240 N HIS A 17 2.218 7.090 3.991 1.00 0.00 N ATOM 241 CA HIS A 17 1.714 6.335 5.135 1.00 0.00 C ATOM 242 C HIS A 17 0.196 6.161 5.070 1.00 0.00 C ATOM 243 O HIS A 17 -0.340 5.166 5.557 1.00 0.00 O ATOM 244 CB HIS A 17 2.121 7.010 6.450 1.00 0.00 C ATOM 245 CG HIS A 17 1.364 8.266 6.760 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.256 9.321 5.878 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.684 8.635 7.871 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.543 10.285 6.435 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.185 9.893 7.643 1.00 0.00 N ATOM 0 H HIS A 17 1.496 7.435 3.359 1.00 0.00 H new ATOM 0 HA HIS A 17 2.163 5.343 5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.978 6.303 7.267 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.185 7.242 6.411 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.662 9.352 4.943 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.558 8.049 8.769 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.296 11.232 5.979 1.00 0.00 H new ATOM 258 N ILE A 18 -0.494 7.128 4.470 1.00 0.00 N ATOM 259 CA ILE A 18 -1.948 7.063 4.352 1.00 0.00 C ATOM 260 C ILE A 18 -2.370 6.642 2.946 1.00 0.00 C ATOM 261 O ILE A 18 -1.882 7.179 1.951 1.00 0.00 O ATOM 262 CB ILE A 18 -2.600 8.418 4.700 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.328 8.770 6.164 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.099 8.385 4.426 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.102 7.920 7.150 1.00 0.00 C ATOM 0 H ILE A 18 -0.072 7.961 4.060 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.292 6.313 5.064 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.159 9.188 4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.262 8.660 6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.577 9.818 6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.536 9.351 4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.271 8.174 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.563 7.607 5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.857 8.228 8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.171 8.048 6.980 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.836 6.872 7.014 1.00 0.00 H new ATOM 277 N LEU A 19 -3.283 5.678 2.877 1.00 0.00 N ATOM 278 CA LEU A 19 -3.781 5.177 1.601 1.00 0.00 C ATOM 279 C LEU A 19 -5.233 5.593 1.387 1.00 0.00 C ATOM 280 O LEU A 19 -6.045 5.537 2.309 1.00 0.00 O ATOM 281 CB LEU A 19 -3.662 3.649 1.554 1.00 0.00 C ATOM 282 CG LEU A 19 -4.019 3.000 0.213 1.00 0.00 C ATOM 283 CD1 LEU A 19 -5.526 2.993 0.003 1.00 0.00 C ATOM 284 CD2 LEU A 19 -3.322 3.718 -0.933 1.00 0.00 C ATOM 0 H LEU A 19 -3.694 5.227 3.694 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.177 5.608 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.639 3.374 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.308 3.228 2.325 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.672 1.967 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.758 2.528 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.002 2.429 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.899 4.017 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.589 3.242 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.635 4.762 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.242 3.665 -0.792 1.00 0.00 H new ATOM 296 N HIS A 20 -5.554 6.007 0.165 1.00 0.00 N ATOM 297 CA HIS A 20 -6.913 6.428 -0.167 1.00 0.00 C ATOM 298 C HIS A 20 -7.322 5.899 -1.538 1.00 0.00 C ATOM 299 O HIS A 20 -6.567 6.001 -2.504 1.00 0.00 O ATOM 300 CB HIS A 20 -7.042 7.957 -0.141 1.00 0.00 C ATOM 301 CG HIS A 20 -5.858 8.664 0.442 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.617 8.671 -0.157 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.730 9.394 1.576 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.777 9.372 0.581 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.427 9.823 1.638 1.00 0.00 N ATOM 0 H HIS A 20 -4.894 6.060 -0.611 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.580 6.011 0.588 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.199 8.314 -1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.930 8.226 0.432 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.384 8.206 -1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.508 9.600 2.297 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.735 9.547 0.358 1.00 0.00 H new ATOM 314 N ALA A 21 -8.521 5.332 -1.610 1.00 0.00 N ATOM 315 CA ALA A 21 -9.041 4.783 -2.857 1.00 0.00 C ATOM 316 C ALA A 21 -10.528 4.466 -2.723 1.00 0.00 C ATOM 317 O ALA A 21 -10.980 4.027 -1.666 1.00 0.00 O ATOM 318 CB ALA A 21 -8.269 3.531 -3.243 1.00 0.00 C ATOM 0 H ALA A 21 -9.154 5.240 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.916 5.529 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.667 3.131 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.216 3.779 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.370 2.784 -2.456 1.00 0.00 H new ATOM 324 N GLU A 22 -11.286 4.680 -3.793 1.00 0.00 N ATOM 325 CA GLU A 22 -12.718 4.403 -3.770 1.00 0.00 C ATOM 326 C GLU A 22 -13.016 3.047 -4.403 1.00 0.00 C ATOM 327 O GLU A 22 -12.928 2.883 -5.619 1.00 0.00 O ATOM 328 CB GLU A 22 -13.498 5.508 -4.489 1.00 0.00 C ATOM 329 CG GLU A 22 -13.010 5.792 -5.901 1.00 0.00 C ATOM 330 CD GLU A 22 -14.143 6.096 -6.864 1.00 0.00 C ATOM 331 OE1 GLU A 22 -15.315 5.867 -6.498 1.00 0.00 O ATOM 332 OE2 GLU A 22 -13.857 6.565 -7.986 1.00 0.00 O ATOM 0 H GLU A 22 -10.937 5.041 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.039 4.377 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.551 5.228 -4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.434 6.424 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.321 6.636 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.449 4.932 -6.267 1.00 0.00 H new ATOM 339 N CYS A 23 -13.363 2.074 -3.566 1.00 0.00 N ATOM 340 CA CYS A 23 -13.669 0.730 -4.041 1.00 0.00 C ATOM 341 C CYS A 23 -15.175 0.492 -4.076 1.00 0.00 C ATOM 342 O CYS A 23 -15.918 1.030 -3.255 1.00 0.00 O ATOM 343 CB CYS A 23 -12.998 -0.315 -3.147 1.00 0.00 C ATOM 344 SG CYS A 23 -11.270 0.046 -2.757 1.00 0.00 S ATOM 0 H CYS A 23 -13.439 2.192 -2.556 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.281 0.635 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.560 -0.396 -2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.053 -1.287 -3.638 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.168 1.270 -2.332 1.00 0.00 H new ATOM 350 N GLY A 24 -15.617 -0.319 -5.031 1.00 0.00 N ATOM 351 CA GLY A 24 -17.032 -0.616 -5.154 1.00 0.00 C ATOM 352 C GLY A 24 -17.475 -1.727 -4.222 1.00 0.00 C ATOM 353 O GLY A 24 -16.646 -2.394 -3.603 1.00 0.00 O ATOM 0 H GLY A 24 -15.021 -0.776 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.609 0.284 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.252 -0.900 -6.183 1.00 0.00 H new ATOM 357 N ASN A 25 -18.785 -1.928 -4.124 1.00 0.00 N ATOM 358 CA ASN A 25 -19.335 -2.969 -3.259 1.00 0.00 C ATOM 359 C ASN A 25 -19.872 -4.135 -4.086 1.00 0.00 C ATOM 360 O ASN A 25 -19.920 -5.271 -3.615 1.00 0.00 O ATOM 361 CB ASN A 25 -20.448 -2.414 -2.356 1.00 0.00 C ATOM 362 CG ASN A 25 -20.817 -0.977 -2.677 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.514 -0.061 -1.912 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.474 -0.775 -3.811 1.00 0.00 N ATOM 0 H ASN A 25 -19.485 -1.386 -4.631 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.524 -3.329 -2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.334 -3.041 -2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.128 -2.477 -1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.749 0.170 -4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.704 -1.564 -4.415 1.00 0.00 H new ATOM 433 N VAL A 31 -17.284 3.296 -2.914 1.00 0.00 N ATOM 434 CA VAL A 31 -17.151 3.705 -1.520 1.00 0.00 C ATOM 435 C VAL A 31 -15.731 4.166 -1.210 1.00 0.00 C ATOM 436 O VAL A 31 -14.771 3.417 -1.392 1.00 0.00 O ATOM 437 CB VAL A 31 -17.521 2.557 -0.563 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.640 3.068 0.864 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.813 1.885 -1.005 1.00 0.00 C ATOM 0 HA VAL A 31 -17.840 4.536 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.724 1.814 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.902 2.242 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.688 3.496 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.415 3.832 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.057 1.077 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.621 2.616 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.687 1.480 -2.009 1.00 0.00 H new ATOM 449 N GLU A 32 -15.605 5.401 -0.734 1.00 0.00 N ATOM 450 CA GLU A 32 -14.304 5.959 -0.392 1.00 0.00 C ATOM 451 C GLU A 32 -13.734 5.279 0.848 1.00 0.00 C ATOM 452 O GLU A 32 -14.331 5.327 1.924 1.00 0.00 O ATOM 453 CB GLU A 32 -14.422 7.467 -0.157 1.00 0.00 C ATOM 454 CG GLU A 32 -13.628 8.299 -1.148 1.00 0.00 C ATOM 455 CD GLU A 32 -14.470 8.777 -2.315 1.00 0.00 C ATOM 456 OE1 GLU A 32 -14.879 7.931 -3.138 1.00 0.00 O ATOM 457 OE2 GLU A 32 -14.720 9.998 -2.406 1.00 0.00 O ATOM 0 H GLU A 32 -16.390 6.034 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.625 5.781 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.472 7.754 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.082 7.697 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.203 9.161 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.793 7.709 -1.525 1.00 0.00 H new ATOM 464 N SER A 33 -12.576 4.645 0.692 1.00 0.00 N ATOM 465 CA SER A 33 -11.928 3.955 1.801 1.00 0.00 C ATOM 466 C SER A 33 -10.481 4.412 1.956 1.00 0.00 C ATOM 467 O SER A 33 -9.901 4.994 1.039 1.00 0.00 O ATOM 468 CB SER A 33 -11.978 2.439 1.589 1.00 0.00 C ATOM 469 OG SER A 33 -12.603 2.113 0.359 1.00 0.00 O ATOM 0 H SER A 33 -12.068 4.595 -0.191 1.00 0.00 H new ATOM 0 HA SER A 33 -12.468 4.204 2.714 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.966 2.034 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.521 1.972 2.411 1.00 0.00 H new ATOM 0 HG SER A 33 -13.462 1.676 0.534 1.00 0.00 H new ATOM 475 N THR A 34 -9.904 4.144 3.122 1.00 0.00 N ATOM 476 CA THR A 34 -8.525 4.526 3.399 1.00 0.00 C ATOM 477 C THR A 34 -7.864 3.527 4.342 1.00 0.00 C ATOM 478 O THR A 34 -8.495 3.026 5.273 1.00 0.00 O ATOM 479 CB THR A 34 -8.474 5.931 4.004 1.00 0.00 C ATOM 480 OG1 THR A 34 -9.158 5.968 5.244 1.00 0.00 O ATOM 481 CG2 THR A 34 -9.086 6.989 3.111 1.00 0.00 C ATOM 0 H THR A 34 -10.371 3.663 3.891 1.00 0.00 H new ATOM 0 HA THR A 34 -7.977 4.525 2.457 1.00 0.00 H new ATOM 0 HB THR A 34 -7.414 6.153 4.131 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.113 6.874 5.616 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.017 7.961 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.549 7.020 2.163 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.133 6.749 2.927 1.00 0.00 H new ATOM 489 N LEU A 35 -6.590 3.238 4.094 1.00 0.00 N ATOM 490 CA LEU A 35 -5.846 2.294 4.921 1.00 0.00 C ATOM 491 C LEU A 35 -4.523 2.893 5.384 1.00 0.00 C ATOM 492 O LEU A 35 -3.823 3.550 4.613 1.00 0.00 O ATOM 493 CB LEU A 35 -5.587 1.000 4.147 1.00 0.00 C ATOM 494 CG LEU A 35 -5.318 -0.231 5.017 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.506 -1.181 4.986 1.00 0.00 C ATOM 496 CD2 LEU A 35 -4.053 -0.943 4.560 1.00 0.00 C ATOM 0 H LEU A 35 -6.052 3.643 3.328 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.449 2.072 5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.449 0.796 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.733 1.154 3.487 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.173 0.102 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.294 -2.049 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.391 -0.669 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.685 -1.506 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.878 -1.815 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.169 -1.261 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.204 -0.263 4.638 1.00 0.00 H new ATOM 508 N ASP A 36 -4.184 2.656 6.646 1.00 0.00 N ATOM 509 CA ASP A 36 -2.943 3.165 7.216 1.00 0.00 C ATOM 510 C ASP A 36 -1.855 2.100 7.168 1.00 0.00 C ATOM 511 O ASP A 36 -2.033 0.992 7.664 1.00 0.00 O ATOM 512 CB ASP A 36 -3.166 3.619 8.659 1.00 0.00 C ATOM 513 CG ASP A 36 -2.043 4.501 9.167 1.00 0.00 C ATOM 514 OD1 ASP A 36 -0.875 4.061 9.121 1.00 0.00 O ATOM 515 OD2 ASP A 36 -2.330 5.633 9.611 1.00 0.00 O ATOM 0 H ASP A 36 -4.753 2.113 7.295 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.621 4.021 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.109 4.162 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.257 2.744 9.303 1.00 0.00 H new ATOM 520 N LEU A 37 -0.733 2.442 6.558 1.00 0.00 N ATOM 521 CA LEU A 37 0.389 1.519 6.447 1.00 0.00 C ATOM 522 C LEU A 37 1.304 1.634 7.652 1.00 0.00 C ATOM 523 O LEU A 37 1.979 0.677 8.029 1.00 0.00 O ATOM 524 CB LEU A 37 1.173 1.789 5.178 1.00 0.00 C ATOM 525 CG LEU A 37 0.324 2.245 4.002 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.024 3.362 3.265 1.00 0.00 C ATOM 527 CD2 LEU A 37 0.022 1.069 3.092 1.00 0.00 C ATOM 0 H LEU A 37 -0.572 3.354 6.130 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.011 0.506 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.925 2.550 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.707 0.882 4.895 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.628 2.633 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.410 3.684 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.181 4.202 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.987 3.008 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.587 1.405 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.956 0.649 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.521 0.306 3.651 1.00 0.00 H new ATOM 539 N ASP A 38 1.317 2.818 8.258 1.00 0.00 N ATOM 540 CA ASP A 38 2.147 3.064 9.430 1.00 0.00 C ATOM 541 C ASP A 38 1.815 2.074 10.541 1.00 0.00 C ATOM 542 O ASP A 38 2.552 1.958 11.520 1.00 0.00 O ATOM 543 CB ASP A 38 1.953 4.496 9.929 1.00 0.00 C ATOM 544 CG ASP A 38 2.970 4.883 10.985 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.130 4.428 10.887 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.608 5.641 11.909 1.00 0.00 O ATOM 0 H ASP A 38 0.763 3.620 7.957 1.00 0.00 H new ATOM 0 HA ASP A 38 3.190 2.929 9.144 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.028 5.184 9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.949 4.602 10.339 1.00 0.00 H new ATOM 551 N TYR A 39 0.704 1.360 10.381 1.00 0.00 N ATOM 552 CA TYR A 39 0.288 0.378 11.376 1.00 0.00 C ATOM 553 C TYR A 39 -0.007 -0.983 10.736 1.00 0.00 C ATOM 554 O TYR A 39 -0.422 -1.920 11.417 1.00 0.00 O ATOM 555 CB TYR A 39 -0.930 0.898 12.153 1.00 0.00 C ATOM 556 CG TYR A 39 -2.269 0.482 11.582 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.512 0.549 10.219 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.287 0.027 12.409 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.733 0.174 9.692 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.512 -0.350 11.892 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.730 -0.275 10.532 1.00 0.00 C ATOM 562 OH TYR A 39 -5.947 -0.649 10.012 1.00 0.00 O ATOM 0 H TYR A 39 0.080 1.442 9.578 1.00 0.00 H new ATOM 0 HA TYR A 39 1.112 0.232 12.074 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.864 0.546 13.183 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.886 1.987 12.185 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.734 0.900 9.558 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.119 -0.033 13.474 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.906 0.232 8.627 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.294 -0.701 12.549 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.878 -1.550 9.633 1.00 0.00 H new ATOM 572 N TYR A 40 0.215 -1.086 9.426 1.00 0.00 N ATOM 573 CA TYR A 40 -0.024 -2.332 8.704 1.00 0.00 C ATOM 574 C TYR A 40 1.269 -2.867 8.087 1.00 0.00 C ATOM 575 O TYR A 40 1.416 -4.072 7.884 1.00 0.00 O ATOM 576 CB TYR A 40 -1.077 -2.121 7.613 1.00 0.00 C ATOM 577 CG TYR A 40 -2.443 -2.671 7.967 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.898 -2.669 9.281 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.277 -3.191 6.986 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.144 -3.170 9.605 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.525 -3.694 7.303 1.00 0.00 C ATOM 582 CZ TYR A 40 -4.953 -3.681 8.613 1.00 0.00 C ATOM 583 OH TYR A 40 -6.195 -4.181 8.932 1.00 0.00 O ATOM 0 H TYR A 40 0.560 -0.322 8.845 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.393 -3.069 9.418 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.167 -1.054 7.409 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.733 -2.593 6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.267 -2.269 10.061 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.945 -3.203 5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.482 -3.161 10.631 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.161 -4.095 6.528 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.638 -4.501 8.118 1.00 0.00 H new ATOM 593 N ILE A 41 2.202 -1.965 7.791 1.00 0.00 N ATOM 594 CA ILE A 41 3.479 -2.352 7.200 1.00 0.00 C ATOM 595 C ILE A 41 4.645 -1.903 8.078 1.00 0.00 C ATOM 596 O ILE A 41 4.611 -0.823 8.668 1.00 0.00 O ATOM 597 CB ILE A 41 3.644 -1.757 5.784 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.594 -2.346 4.841 1.00 0.00 C ATOM 599 CG2 ILE A 41 5.046 -2.015 5.248 1.00 0.00 C ATOM 600 CD1 ILE A 41 2.067 -1.354 3.829 1.00 0.00 C ATOM 0 H ILE A 41 2.097 -0.963 7.951 1.00 0.00 H new ATOM 0 HA ILE A 41 3.484 -3.440 7.127 1.00 0.00 H new ATOM 0 HB ILE A 41 3.498 -0.678 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.027 -3.196 4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.761 -2.728 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.138 -1.587 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.779 -1.554 5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.225 -3.089 5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.327 -1.841 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.604 -0.515 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.890 -0.990 3.214 1.00 0.00 H new ATOM 612 N GLY A 42 5.675 -2.741 8.161 1.00 0.00 N ATOM 613 CA GLY A 42 6.835 -2.413 8.971 1.00 0.00 C ATOM 614 C GLY A 42 8.139 -2.561 8.213 1.00 0.00 C ATOM 615 O GLY A 42 8.150 -2.985 7.057 1.00 0.00 O ATOM 0 H GLY A 42 5.727 -3.640 7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.743 -1.388 9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.854 -3.059 9.849 1.00 0.00 H new ATOM 619 N ASN A 43 9.241 -2.212 8.869 1.00 0.00 N ATOM 620 CA ASN A 43 10.562 -2.305 8.256 1.00 0.00 C ATOM 621 C ASN A 43 11.235 -3.627 8.611 1.00 0.00 C ATOM 622 O ASN A 43 11.678 -3.826 9.742 1.00 0.00 O ATOM 623 CB ASN A 43 11.440 -1.136 8.711 1.00 0.00 C ATOM 624 CG ASN A 43 12.850 -1.209 8.153 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.500 -2.253 8.205 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.333 -0.095 7.619 1.00 0.00 N ATOM 0 H ASN A 43 9.246 -1.862 9.827 1.00 0.00 H new ATOM 0 HA ASN A 43 10.437 -2.260 7.174 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.979 -0.198 8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.485 -1.123 9.800 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.276 -0.083 7.232 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.761 0.749 7.596 1.00 0.00 H new ATOM 633 N ASP A 44 11.317 -4.523 7.635 1.00 0.00 N ATOM 634 CA ASP A 44 11.947 -5.821 7.842 1.00 0.00 C ATOM 635 C ASP A 44 13.242 -5.927 7.044 1.00 0.00 C ATOM 636 O ASP A 44 13.223 -6.226 5.850 1.00 0.00 O ATOM 637 CB ASP A 44 10.992 -6.947 7.441 1.00 0.00 C ATOM 638 CG ASP A 44 11.470 -8.307 7.911 1.00 0.00 C ATOM 639 OD1 ASP A 44 11.779 -8.444 9.114 1.00 0.00 O ATOM 640 OD2 ASP A 44 11.535 -9.234 7.077 1.00 0.00 O ATOM 0 H ASP A 44 10.955 -4.375 6.693 1.00 0.00 H new ATOM 0 HA ASP A 44 12.184 -5.918 8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.005 -6.748 7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.883 -6.958 6.356 1.00 0.00 H new ATOM 645 N ASP A 45 14.367 -5.680 7.710 1.00 0.00 N ATOM 646 CA ASP A 45 15.671 -5.747 7.061 1.00 0.00 C ATOM 647 C ASP A 45 15.720 -4.832 5.840 1.00 0.00 C ATOM 648 O ASP A 45 16.167 -5.235 4.766 1.00 0.00 O ATOM 649 CB ASP A 45 15.983 -7.187 6.648 1.00 0.00 C ATOM 650 CG ASP A 45 17.378 -7.334 6.072 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.221 -6.448 6.324 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.627 -8.336 5.368 1.00 0.00 O ATOM 0 H ASP A 45 14.401 -5.432 8.699 1.00 0.00 H new ATOM 0 HA ASP A 45 16.423 -5.409 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.880 -7.841 7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.252 -7.517 5.910 1.00 0.00 H new ATOM 657 N GLY A 46 15.254 -3.600 6.013 1.00 0.00 N ATOM 658 CA GLY A 46 15.250 -2.650 4.916 1.00 0.00 C ATOM 659 C GLY A 46 14.274 -3.034 3.820 1.00 0.00 C ATOM 660 O GLY A 46 14.380 -2.555 2.691 1.00 0.00 O ATOM 0 H GLY A 46 14.879 -3.243 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.994 -1.661 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.254 -2.580 4.496 1.00 0.00 H new ATOM 664 N SER A 47 13.322 -3.901 4.153 1.00 0.00 N ATOM 665 CA SER A 47 12.323 -4.348 3.189 1.00 0.00 C ATOM 666 C SER A 47 10.915 -4.186 3.752 1.00 0.00 C ATOM 667 O SER A 47 10.734 -4.020 4.958 1.00 0.00 O ATOM 668 CB SER A 47 12.567 -5.810 2.810 1.00 0.00 C ATOM 669 OG SER A 47 11.722 -6.209 1.744 1.00 0.00 O ATOM 0 H SER A 47 13.222 -4.308 5.083 1.00 0.00 H new ATOM 0 HA SER A 47 12.413 -3.729 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.609 -5.945 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.391 -6.448 3.676 1.00 0.00 H new ATOM 0 HG SER A 47 11.899 -7.146 1.520 1.00 0.00 H new ATOM 675 N PHE A 48 9.923 -4.234 2.870 1.00 0.00 N ATOM 676 CA PHE A 48 8.530 -4.091 3.278 1.00 0.00 C ATOM 677 C PHE A 48 7.975 -5.414 3.795 1.00 0.00 C ATOM 678 O PHE A 48 8.266 -6.477 3.247 1.00 0.00 O ATOM 679 CB PHE A 48 7.684 -3.593 2.106 1.00 0.00 C ATOM 680 CG PHE A 48 7.859 -2.129 1.817 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.720 -1.189 2.825 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.163 -1.694 0.537 1.00 0.00 C ATOM 683 CE1 PHE A 48 7.881 0.158 2.562 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.324 -0.348 0.268 1.00 0.00 C ATOM 685 CZ PHE A 48 8.183 0.579 1.282 1.00 0.00 C ATOM 0 H PHE A 48 10.057 -4.371 1.868 1.00 0.00 H new ATOM 0 HA PHE A 48 8.487 -3.360 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.942 -4.164 1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.633 -3.790 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.483 -1.513 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.275 -2.415 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.771 0.881 3.357 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.560 -0.021 -0.734 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.309 1.631 1.074 1.00 0.00 H new ATOM 695 N SER A 49 7.173 -5.340 4.852 1.00 0.00 N ATOM 696 CA SER A 49 6.575 -6.532 5.443 1.00 0.00 C ATOM 697 C SER A 49 5.075 -6.344 5.652 1.00 0.00 C ATOM 698 O SER A 49 4.644 -5.384 6.291 1.00 0.00 O ATOM 699 CB SER A 49 7.250 -6.858 6.776 1.00 0.00 C ATOM 700 OG SER A 49 7.274 -8.256 7.007 1.00 0.00 O ATOM 0 H SER A 49 6.922 -4.467 5.317 1.00 0.00 H new ATOM 0 HA SER A 49 6.725 -7.363 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.268 -6.469 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.718 -6.361 7.588 1.00 0.00 H new ATOM 0 HG SER A 49 7.712 -8.438 7.864 1.00 0.00 H new ATOM 706 N TRP A 50 4.286 -7.268 5.113 1.00 0.00 N ATOM 707 CA TRP A 50 2.836 -7.206 5.243 1.00 0.00 C ATOM 708 C TRP A 50 2.402 -7.595 6.652 1.00 0.00 C ATOM 709 O TRP A 50 2.637 -8.718 7.096 1.00 0.00 O ATOM 710 CB TRP A 50 2.174 -8.130 4.218 1.00 0.00 C ATOM 711 CG TRP A 50 2.023 -7.506 2.864 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.602 -7.925 1.700 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.243 -6.352 2.532 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.229 -7.101 0.665 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.395 -6.129 1.150 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.429 -5.485 3.268 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.764 -5.076 0.492 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.196 -4.441 2.613 1.00 0.00 C ATOM 719 CH2 TRP A 50 -0.026 -4.245 1.237 1.00 0.00 C ATOM 0 H TRP A 50 4.628 -8.069 4.582 1.00 0.00 H new ATOM 0 HA TRP A 50 2.520 -6.180 5.055 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.765 -9.041 4.126 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.191 -8.424 4.586 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.257 -8.779 1.607 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.525 -7.198 -0.306 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.291 -5.629 4.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.894 -4.921 -0.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.826 -3.765 3.172 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.529 -3.420 0.754 1.00 0.00 H new ATOM 730 N GLY A 51 1.771 -6.658 7.351 1.00 0.00 N ATOM 731 CA GLY A 51 1.318 -6.922 8.704 1.00 0.00 C ATOM 732 C GLY A 51 2.196 -6.266 9.754 1.00 0.00 C ATOM 733 O GLY A 51 2.059 -6.543 10.946 1.00 0.00 O ATOM 0 H GLY A 51 1.565 -5.721 7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.295 -6.564 8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.299 -7.999 8.873 1.00 0.00 H new ATOM 737 N GLY A 52 3.099 -5.393 9.315 1.00 0.00 N ATOM 738 CA GLY A 52 3.983 -4.712 10.241 1.00 0.00 C ATOM 739 C GLY A 52 3.460 -3.345 10.634 1.00 0.00 C ATOM 740 O GLY A 52 2.251 -3.114 10.635 1.00 0.00 O ATOM 0 H GLY A 52 3.233 -5.146 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.108 -5.322 11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.968 -4.605 9.788 1.00 0.00 H new ATOM 744 N GLU A 53 4.370 -2.436 10.969 1.00 0.00 N ATOM 745 CA GLU A 53 3.987 -1.087 11.365 1.00 0.00 C ATOM 746 C GLU A 53 5.215 -0.233 11.663 1.00 0.00 C ATOM 747 O GLU A 53 6.292 -0.755 11.952 1.00 0.00 O ATOM 748 CB GLU A 53 3.073 -1.136 12.589 1.00 0.00 C ATOM 749 CG GLU A 53 3.569 -2.068 13.683 1.00 0.00 C ATOM 750 CD GLU A 53 2.908 -1.798 15.021 1.00 0.00 C ATOM 751 OE1 GLU A 53 3.050 -0.669 15.537 1.00 0.00 O ATOM 752 OE2 GLU A 53 2.250 -2.716 15.554 1.00 0.00 O ATOM 0 H GLU A 53 5.375 -2.609 10.974 1.00 0.00 H new ATOM 0 HA GLU A 53 3.448 -0.631 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.973 -0.130 12.998 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.078 -1.453 12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.379 -3.100 13.390 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.649 -1.959 13.786 1.00 0.00 H new ATOM 759 N ASN A 54 5.044 1.084 11.589 1.00 0.00 N ATOM 760 CA ASN A 54 6.135 2.018 11.849 1.00 0.00 C ATOM 761 C ASN A 54 7.232 1.886 10.798 1.00 0.00 C ATOM 762 O ASN A 54 8.404 2.143 11.075 1.00 0.00 O ATOM 763 CB ASN A 54 6.718 1.784 13.244 1.00 0.00 C ATOM 764 CG ASN A 54 5.663 1.850 14.330 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.393 2.915 14.885 1.00 0.00 O ATOM 766 ND2 ASN A 54 5.062 0.708 14.640 1.00 0.00 N ATOM 0 H ASN A 54 4.158 1.529 11.350 1.00 0.00 H new ATOM 0 HA ASN A 54 5.729 3.028 11.798 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.204 0.809 13.273 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.487 2.530 13.443 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.344 0.690 15.365 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.318 -0.151 14.154 1.00 0.00 H new ATOM 773 N PHE A 55 6.846 1.487 9.590 1.00 0.00 N ATOM 774 CA PHE A 55 7.801 1.327 8.500 1.00 0.00 C ATOM 775 C PHE A 55 8.457 2.661 8.155 1.00 0.00 C ATOM 776 O PHE A 55 9.664 2.731 7.925 1.00 0.00 O ATOM 777 CB PHE A 55 7.105 0.742 7.266 1.00 0.00 C ATOM 778 CG PHE A 55 6.280 1.741 6.501 1.00 0.00 C ATOM 779 CD1 PHE A 55 5.019 2.104 6.944 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.770 2.317 5.339 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.260 3.022 6.243 1.00 0.00 C ATOM 782 CE2 PHE A 55 6.016 3.236 4.634 1.00 0.00 C ATOM 783 CZ PHE A 55 4.760 3.589 5.086 1.00 0.00 C ATOM 0 H PHE A 55 5.881 1.269 9.342 1.00 0.00 H new ATOM 0 HA PHE A 55 8.580 0.637 8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.859 0.322 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.463 -0.081 7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.624 1.664 7.848 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.752 2.045 4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.278 3.296 6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.409 3.678 3.730 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.169 4.307 4.536 1.00 0.00 H new ATOM 793 N SER A 56 7.650 3.717 8.122 1.00 0.00 N ATOM 794 CA SER A 56 8.146 5.052 7.806 1.00 0.00 C ATOM 795 C SER A 56 9.114 5.546 8.877 1.00 0.00 C ATOM 796 O SER A 56 9.959 6.401 8.614 1.00 0.00 O ATOM 797 CB SER A 56 6.980 6.032 7.666 1.00 0.00 C ATOM 798 OG SER A 56 7.445 7.342 7.390 1.00 0.00 O ATOM 0 H SER A 56 6.648 3.674 8.310 1.00 0.00 H new ATOM 0 HA SER A 56 8.682 4.995 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.317 5.702 6.866 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.393 6.037 8.584 1.00 0.00 H new ATOM 0 HG SER A 56 6.681 7.949 7.304 1.00 0.00 H new ATOM 804 N GLY A 57 8.986 5.003 10.085 1.00 0.00 N ATOM 805 CA GLY A 57 9.857 5.404 11.177 1.00 0.00 C ATOM 806 C GLY A 57 11.327 5.352 10.802 1.00 0.00 C ATOM 807 O GLY A 57 12.146 6.069 11.377 1.00 0.00 O ATOM 0 H GLY A 57 8.295 4.293 10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.601 6.417 11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.681 4.754 12.034 1.00 0.00 H new ATOM 811 N SER A 58 11.659 4.504 9.834 1.00 0.00 N ATOM 812 CA SER A 58 13.038 4.363 9.382 1.00 0.00 C ATOM 813 C SER A 58 13.116 4.376 7.859 1.00 0.00 C ATOM 814 O SER A 58 14.003 3.759 7.268 1.00 0.00 O ATOM 815 CB SER A 58 13.646 3.069 9.924 1.00 0.00 C ATOM 816 OG SER A 58 13.076 2.722 11.175 1.00 0.00 O ATOM 0 H SER A 58 10.992 3.904 9.348 1.00 0.00 H new ATOM 0 HA SER A 58 13.607 5.211 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.484 2.261 9.211 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.724 3.188 10.032 1.00 0.00 H new ATOM 0 HG SER A 58 13.480 1.890 11.499 1.00 0.00 H new ATOM 822 N ALA A 59 12.183 5.083 7.228 1.00 0.00 N ATOM 823 CA ALA A 59 12.147 5.176 5.774 1.00 0.00 C ATOM 824 C ALA A 59 12.265 6.625 5.314 1.00 0.00 C ATOM 825 O ALA A 59 12.115 7.553 6.109 1.00 0.00 O ATOM 826 CB ALA A 59 10.868 4.553 5.238 1.00 0.00 C ATOM 0 H ALA A 59 11.442 5.600 7.702 1.00 0.00 H new ATOM 0 HA ALA A 59 13.000 4.626 5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.854 4.629 4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.825 3.503 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.007 5.079 5.650 1.00 0.00 H new ATOM 832 N SER A 60 12.535 6.813 4.027 1.00 0.00 N ATOM 833 CA SER A 60 12.672 8.150 3.461 1.00 0.00 C ATOM 834 C SER A 60 12.002 8.234 2.094 1.00 0.00 C ATOM 835 O SER A 60 11.932 7.244 1.366 1.00 0.00 O ATOM 836 CB SER A 60 14.150 8.527 3.342 1.00 0.00 C ATOM 837 OG SER A 60 14.775 8.552 4.614 1.00 0.00 O ATOM 0 H SER A 60 12.663 6.056 3.356 1.00 0.00 H new ATOM 0 HA SER A 60 12.177 8.853 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.660 7.812 2.697 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.242 9.505 2.869 1.00 0.00 H new ATOM 0 HG SER A 60 15.719 8.794 4.510 1.00 0.00 H new ATOM 843 N ASN A 61 11.513 9.427 1.754 1.00 0.00 N ATOM 844 CA ASN A 61 10.843 9.664 0.472 1.00 0.00 C ATOM 845 C ASN A 61 9.955 8.486 0.075 1.00 0.00 C ATOM 846 O ASN A 61 10.198 7.822 -0.933 1.00 0.00 O ATOM 847 CB ASN A 61 11.872 9.942 -0.629 1.00 0.00 C ATOM 848 CG ASN A 61 13.074 9.020 -0.553 1.00 0.00 C ATOM 849 OD1 ASN A 61 14.156 9.427 -0.131 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.888 7.771 -0.961 1.00 0.00 N ATOM 0 H ASN A 61 11.569 10.251 2.353 1.00 0.00 H new ATOM 0 HA ASN A 61 10.205 10.540 0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.395 9.831 -1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.207 10.976 -0.554 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.660 7.105 -0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.973 7.477 -1.303 1.00 0.00 H new ATOM 857 N ILE A 62 8.924 8.233 0.876 1.00 0.00 N ATOM 858 CA ILE A 62 8.000 7.136 0.608 1.00 0.00 C ATOM 859 C ILE A 62 6.870 7.588 -0.310 1.00 0.00 C ATOM 860 O ILE A 62 6.085 8.469 0.042 1.00 0.00 O ATOM 861 CB ILE A 62 7.396 6.567 1.911 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.431 6.585 3.039 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.879 5.153 1.682 1.00 0.00 C ATOM 864 CD1 ILE A 62 7.927 5.988 4.335 1.00 0.00 C ATOM 0 H ILE A 62 8.708 8.772 1.715 1.00 0.00 H new ATOM 0 HA ILE A 62 8.576 6.351 0.118 1.00 0.00 H new ATOM 0 HB ILE A 62 6.558 7.198 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.316 6.037 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.741 7.614 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.456 4.766 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.109 5.168 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.701 4.512 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.714 6.035 5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.060 6.550 4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.644 4.948 4.171 1.00 0.00 H new ATOM 876 N THR A 63 6.798 6.983 -1.491 1.00 0.00 N ATOM 877 CA THR A 63 5.767 7.327 -2.466 1.00 0.00 C ATOM 878 C THR A 63 5.296 6.091 -3.226 1.00 0.00 C ATOM 879 O THR A 63 5.990 5.075 -3.271 1.00 0.00 O ATOM 880 CB THR A 63 6.294 8.374 -3.448 1.00 0.00 C ATOM 881 OG1 THR A 63 7.692 8.231 -3.629 1.00 0.00 O ATOM 882 CG2 THR A 63 6.031 9.797 -3.005 1.00 0.00 C ATOM 0 H THR A 63 7.441 6.252 -1.797 1.00 0.00 H new ATOM 0 HA THR A 63 4.917 7.741 -1.924 1.00 0.00 H new ATOM 0 HB THR A 63 5.754 8.196 -4.378 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.011 8.908 -4.262 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.430 10.489 -3.747 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.957 9.954 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.516 9.975 -2.045 1.00 0.00 H new ATOM 890 N LEU A 64 4.112 6.184 -3.824 1.00 0.00 N ATOM 891 CA LEU A 64 3.546 5.072 -4.581 1.00 0.00 C ATOM 892 C LEU A 64 3.652 5.324 -6.082 1.00 0.00 C ATOM 893 O LEU A 64 3.367 6.422 -6.560 1.00 0.00 O ATOM 894 CB LEU A 64 2.083 4.857 -4.191 1.00 0.00 C ATOM 895 CG LEU A 64 1.457 3.564 -4.713 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.769 2.406 -3.779 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.047 3.729 -4.880 1.00 0.00 C ATOM 0 H LEU A 64 3.526 7.018 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 64 4.116 4.174 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.008 4.866 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.497 5.700 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 64 1.888 3.342 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.315 1.494 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.849 2.274 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.367 2.619 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.476 2.799 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.495 3.975 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.248 4.531 -5.590 1.00 0.00 H new ATOM 909 N ASP A 65 4.067 4.298 -6.820 1.00 0.00 N ATOM 910 CA ASP A 65 4.216 4.405 -8.267 1.00 0.00 C ATOM 911 C ASP A 65 3.487 3.270 -8.980 1.00 0.00 C ATOM 912 O ASP A 65 3.295 2.192 -8.417 1.00 0.00 O ATOM 913 CB ASP A 65 5.697 4.387 -8.648 1.00 0.00 C ATOM 914 CG ASP A 65 6.326 5.764 -8.588 1.00 0.00 C ATOM 915 OD1 ASP A 65 6.724 6.188 -7.482 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.422 6.420 -9.646 1.00 0.00 O ATOM 0 H ASP A 65 4.306 3.383 -6.439 1.00 0.00 H new ATOM 0 HA ASP A 65 3.773 5.350 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.234 3.716 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.805 3.985 -9.655 1.00 0.00 H new ATOM 921 N ILE A 66 3.088 3.517 -10.224 1.00 0.00 N ATOM 922 CA ILE A 66 2.390 2.514 -11.017 1.00 0.00 C ATOM 923 C ILE A 66 3.387 1.647 -11.783 1.00 0.00 C ATOM 924 O ILE A 66 4.282 2.159 -12.456 1.00 0.00 O ATOM 925 CB ILE A 66 1.396 3.174 -12.003 1.00 0.00 C ATOM 926 CG1 ILE A 66 0.077 3.485 -11.289 1.00 0.00 C ATOM 927 CG2 ILE A 66 1.149 2.288 -13.219 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.766 2.259 -11.004 1.00 0.00 C ATOM 0 H ILE A 66 3.237 4.405 -10.704 1.00 0.00 H new ATOM 0 HA ILE A 66 1.825 1.883 -10.331 1.00 0.00 H new ATOM 0 HB ILE A 66 1.837 4.106 -12.357 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.294 3.992 -10.349 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.501 4.179 -11.899 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.447 2.781 -13.891 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.090 2.115 -13.741 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.733 1.334 -12.895 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.684 2.558 -10.497 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.015 1.762 -11.942 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.207 1.573 -10.367 1.00 0.00 H new ATOM 940 N GLU A 67 3.225 0.334 -11.675 1.00 0.00 N ATOM 941 CA GLU A 67 4.110 -0.604 -12.356 1.00 0.00 C ATOM 942 C GLU A 67 3.311 -1.712 -13.034 1.00 0.00 C ATOM 943 O GLU A 67 2.294 -2.167 -12.512 1.00 0.00 O ATOM 944 CB GLU A 67 5.109 -1.207 -11.365 1.00 0.00 C ATOM 945 CG GLU A 67 6.538 -0.738 -11.582 1.00 0.00 C ATOM 946 CD GLU A 67 7.267 -1.558 -12.628 1.00 0.00 C ATOM 947 OE1 GLU A 67 6.631 -1.938 -13.634 1.00 0.00 O ATOM 948 OE2 GLU A 67 8.474 -1.821 -12.442 1.00 0.00 O ATOM 0 H GLU A 67 2.489 -0.106 -11.122 1.00 0.00 H new ATOM 0 HA GLU A 67 4.658 -0.057 -13.123 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.801 -0.952 -10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.076 -2.294 -11.444 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.531 0.309 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.082 -0.792 -10.639 1.00 0.00 H new ATOM 955 N GLY A 68 3.780 -2.142 -14.201 1.00 0.00 N ATOM 956 CA GLY A 68 3.098 -3.193 -14.931 1.00 0.00 C ATOM 957 C GLY A 68 2.036 -2.653 -15.868 1.00 0.00 C ATOM 958 O GLY A 68 1.501 -1.566 -15.650 1.00 0.00 O ATOM 0 H GLY A 68 4.620 -1.781 -14.653 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.827 -3.765 -15.505 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.637 -3.883 -14.224 1.00 0.00 H new ATOM 962 N ASP A 69 1.732 -3.413 -16.914 1.00 0.00 N ATOM 963 CA ASP A 69 0.728 -3.005 -17.890 1.00 0.00 C ATOM 964 C ASP A 69 -0.675 -3.026 -17.284 1.00 0.00 C ATOM 965 O ASP A 69 -1.619 -2.495 -17.870 1.00 0.00 O ATOM 966 CB ASP A 69 0.779 -3.921 -19.114 1.00 0.00 C ATOM 967 CG ASP A 69 0.618 -3.157 -20.414 1.00 0.00 C ATOM 968 OD1 ASP A 69 1.630 -2.632 -20.923 1.00 0.00 O ATOM 969 OD2 ASP A 69 -0.520 -3.085 -20.922 1.00 0.00 O ATOM 0 H ASP A 69 2.166 -4.315 -17.108 1.00 0.00 H new ATOM 0 HA ASP A 69 0.953 -1.983 -18.194 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.729 -4.456 -19.125 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.008 -4.671 -19.036 1.00 0.00 H new ATOM 974 N ASP A 70 -0.810 -3.640 -16.111 1.00 0.00 N ATOM 975 CA ASP A 70 -2.101 -3.725 -15.437 1.00 0.00 C ATOM 976 C ASP A 70 -2.308 -2.551 -14.480 1.00 0.00 C ATOM 977 O ASP A 70 -3.387 -2.391 -13.910 1.00 0.00 O ATOM 978 CB ASP A 70 -2.211 -5.047 -14.673 1.00 0.00 C ATOM 979 CG ASP A 70 -3.159 -6.023 -15.341 1.00 0.00 C ATOM 980 OD1 ASP A 70 -4.219 -5.581 -15.830 1.00 0.00 O ATOM 981 OD2 ASP A 70 -2.840 -7.231 -15.375 1.00 0.00 O ATOM 0 H ASP A 70 -0.042 -4.085 -15.609 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.880 -3.682 -16.199 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.223 -5.501 -14.593 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.554 -4.849 -13.657 1.00 0.00 H new ATOM 986 N ASN A 71 -1.271 -1.734 -14.302 1.00 0.00 N ATOM 987 CA ASN A 71 -1.350 -0.584 -13.408 1.00 0.00 C ATOM 988 C ASN A 71 -1.485 -1.037 -11.964 1.00 0.00 C ATOM 989 O ASN A 71 -2.573 -1.007 -11.388 1.00 0.00 O ATOM 990 CB ASN A 71 -2.527 0.317 -13.789 1.00 0.00 C ATOM 991 CG ASN A 71 -2.533 0.669 -15.263 1.00 0.00 C ATOM 992 OD1 ASN A 71 -3.258 -0.112 -16.055 1.00 0.00 O flip ATOM 993 ND2 ASN A 71 -1.892 1.631 -15.686 1.00 0.00 N flip ATOM 0 H ASN A 71 -0.369 -1.848 -14.765 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.427 -0.013 -13.510 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.461 -0.183 -13.534 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.485 1.233 -13.200 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.348 2.205 -15.041 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.905 1.854 -16.681 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.370 -1.462 -11.386 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.356 -1.932 -10.009 1.00 0.00 C ATOM 1002 C ILE A 72 0.283 -0.900 -9.081 1.00 0.00 C ATOM 1003 O ILE A 72 1.462 -0.577 -9.220 1.00 0.00 O ATOM 1004 CB ILE A 72 0.406 -3.265 -9.875 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.259 -4.107 -11.146 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.101 -4.033 -8.668 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.163 -4.546 -11.421 1.00 0.00 C ATOM 0 H ILE A 72 0.538 -1.491 -11.851 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.395 -2.086 -9.719 1.00 0.00 H new ATOM 0 HB ILE A 72 1.465 -3.046 -9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.624 -3.532 -11.997 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.893 -4.990 -11.062 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.443 -4.974 -8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.054 -3.439 -7.767 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.165 -4.239 -8.788 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.191 -5.138 -12.336 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.525 -5.149 -10.588 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.799 -3.668 -11.537 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.488 -0.369 -8.112 1.00 0.00 N ATOM 1020 CA PRO A 73 0.019 0.627 -7.161 1.00 0.00 C ATOM 1021 C PRO A 73 1.091 0.048 -6.245 1.00 0.00 C ATOM 1022 O PRO A 73 0.787 -0.684 -5.303 1.00 0.00 O ATOM 1023 CB PRO A 73 -1.221 1.020 -6.352 1.00 0.00 C ATOM 1024 CG PRO A 73 -2.150 -0.136 -6.492 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.904 -0.696 -7.864 1.00 0.00 C ATOM 0 HA PRO A 73 0.493 1.469 -7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.970 1.201 -5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.669 1.936 -6.736 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.960 -0.886 -5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.187 0.180 -6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.081 -1.771 -7.898 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.559 -0.242 -8.608 1.00 0.00 H new ATOM 1033 N VAL A 74 2.347 0.374 -6.532 1.00 0.00 N ATOM 1034 CA VAL A 74 3.464 -0.121 -5.737 1.00 0.00 C ATOM 1035 C VAL A 74 4.131 1.005 -4.951 1.00 0.00 C ATOM 1036 O VAL A 74 4.409 2.076 -5.490 1.00 0.00 O ATOM 1037 CB VAL A 74 4.511 -0.823 -6.628 1.00 0.00 C ATOM 1038 CG1 VAL A 74 4.903 0.065 -7.796 1.00 0.00 C ATOM 1039 CG2 VAL A 74 5.735 -1.230 -5.818 1.00 0.00 C ATOM 0 H VAL A 74 2.616 0.978 -7.308 1.00 0.00 H new ATOM 0 HA VAL A 74 3.058 -0.845 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 74 4.060 -1.731 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.642 -0.448 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.021 0.286 -8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.328 0.995 -7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.456 -1.722 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.191 -0.343 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.435 -1.916 -5.026 1.00 0.00 H new ATOM 1049 N LEU A 75 4.380 0.749 -3.670 1.00 0.00 N ATOM 1050 CA LEU A 75 5.011 1.731 -2.796 1.00 0.00 C ATOM 1051 C LEU A 75 6.520 1.515 -2.734 1.00 0.00 C ATOM 1052 O LEU A 75 6.987 0.399 -2.506 1.00 0.00 O ATOM 1053 CB LEU A 75 4.412 1.644 -1.390 1.00 0.00 C ATOM 1054 CG LEU A 75 5.048 2.570 -0.352 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.998 4.015 -0.824 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.350 2.419 0.992 1.00 0.00 C ATOM 0 H LEU A 75 4.153 -0.134 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 75 4.823 2.723 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.348 1.870 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.499 0.616 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 75 6.094 2.287 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.455 4.659 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.543 4.110 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.960 4.313 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.814 3.084 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.296 2.676 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.439 1.388 1.334 1.00 0.00 H new ATOM 1068 N ARG A 76 7.277 2.588 -2.938 1.00 0.00 N ATOM 1069 CA ARG A 76 8.734 2.515 -2.905 1.00 0.00 C ATOM 1070 C ARG A 76 9.308 3.503 -1.896 1.00 0.00 C ATOM 1071 O ARG A 76 8.860 4.646 -1.807 1.00 0.00 O ATOM 1072 CB ARG A 76 9.310 2.800 -4.293 1.00 0.00 C ATOM 1073 CG ARG A 76 9.438 1.561 -5.163 1.00 0.00 C ATOM 1074 CD ARG A 76 9.019 1.843 -6.597 1.00 0.00 C ATOM 1075 NE ARG A 76 8.410 0.675 -7.227 1.00 0.00 N ATOM 1076 CZ ARG A 76 9.106 -0.334 -7.747 1.00 0.00 C ATOM 1077 NH1 ARG A 76 10.433 -0.321 -7.714 1.00 0.00 N ATOM 1078 NH2 ARG A 76 8.474 -1.360 -8.301 1.00 0.00 N ATOM 0 H ARG A 76 6.906 3.519 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 76 9.014 1.507 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.674 3.526 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.292 3.260 -4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.469 1.208 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.821 0.761 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.313 2.673 -6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.889 2.154 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 76 7.392 0.629 -7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.925 0.465 -7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.961 -1.097 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.455 -1.376 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.007 -2.133 -8.699 1.00 0.00 H new ATOM 1092 N ALA A 77 10.305 3.056 -1.139 1.00 0.00 N ATOM 1093 CA ALA A 77 10.940 3.906 -0.139 1.00 0.00 C ATOM 1094 C ALA A 77 12.251 3.303 0.353 1.00 0.00 C ATOM 1095 O ALA A 77 12.420 2.083 0.365 1.00 0.00 O ATOM 1096 CB ALA A 77 9.996 4.135 1.031 1.00 0.00 C ATOM 0 H ALA A 77 10.689 2.113 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 77 11.167 4.863 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.481 4.771 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.087 4.620 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.742 3.178 1.486 1.00 0.00 H new ATOM 1102 N GLU A 78 13.172 4.166 0.768 1.00 0.00 N ATOM 1103 CA GLU A 78 14.465 3.721 1.274 1.00 0.00 C ATOM 1104 C GLU A 78 14.352 3.323 2.741 1.00 0.00 C ATOM 1105 O GLU A 78 14.280 4.179 3.622 1.00 0.00 O ATOM 1106 CB GLU A 78 15.511 4.825 1.109 1.00 0.00 C ATOM 1107 CG GLU A 78 16.028 4.967 -0.313 1.00 0.00 C ATOM 1108 CD GLU A 78 17.484 4.564 -0.449 1.00 0.00 C ATOM 1109 OE1 GLU A 78 18.258 4.807 0.501 1.00 0.00 O ATOM 1110 OE2 GLU A 78 17.850 4.006 -1.505 1.00 0.00 O ATOM 0 H GLU A 78 13.047 5.178 0.764 1.00 0.00 H new ATOM 0 HA GLU A 78 14.780 2.851 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.078 5.774 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.351 4.620 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.422 4.353 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.910 6.001 -0.637 1.00 0.00 H new ATOM 1117 N LEU A 79 14.324 2.019 2.996 1.00 0.00 N ATOM 1118 CA LEU A 79 14.205 1.510 4.357 1.00 0.00 C ATOM 1119 C LEU A 79 15.574 1.262 4.982 1.00 0.00 C ATOM 1120 O LEU A 79 16.526 0.889 4.295 1.00 0.00 O ATOM 1121 CB LEU A 79 13.392 0.214 4.364 1.00 0.00 C ATOM 1122 CG LEU A 79 11.886 0.393 4.166 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.247 -0.919 3.738 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.239 0.913 5.440 1.00 0.00 C ATOM 0 H LEU A 79 14.382 1.296 2.279 1.00 0.00 H new ATOM 0 HA LEU A 79 13.692 2.266 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.771 -0.439 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.560 -0.297 5.312 1.00 0.00 H new ATOM 0 HG LEU A 79 11.726 1.127 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.175 -0.774 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.691 -1.251 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.416 -1.674 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.168 1.034 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.407 0.203 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.678 1.875 5.704 1.00 0.00 H new ATOM 1136 N ASN A 80 15.660 1.466 6.293 1.00 0.00 N ATOM 1137 CA ASN A 80 16.904 1.260 7.023 1.00 0.00 C ATOM 1138 C ASN A 80 16.954 -0.152 7.605 1.00 0.00 C ATOM 1139 O ASN A 80 16.251 -0.457 8.569 1.00 0.00 O ATOM 1140 CB ASN A 80 17.036 2.289 8.148 1.00 0.00 C ATOM 1141 CG ASN A 80 17.747 3.550 7.698 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.974 3.635 7.745 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.976 4.539 7.260 1.00 0.00 N ATOM 0 H ASN A 80 14.879 1.775 6.872 1.00 0.00 H new ATOM 0 HA ASN A 80 17.734 1.385 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 80 16.044 2.547 8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.582 1.845 8.981 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.397 5.413 6.945 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.963 4.424 7.239 1.00 0.00 H new ATOM 1150 N PRO A 81 17.782 -1.038 7.025 1.00 0.00 N ATOM 1151 CA PRO A 81 17.908 -2.420 7.493 1.00 0.00 C ATOM 1152 C PRO A 81 18.726 -2.527 8.774 1.00 0.00 C ATOM 1153 O PRO A 81 19.412 -1.584 9.168 1.00 0.00 O ATOM 1154 CB PRO A 81 18.633 -3.111 6.340 1.00 0.00 C ATOM 1155 CG PRO A 81 19.460 -2.034 5.729 1.00 0.00 C ATOM 1156 CD PRO A 81 18.657 -0.768 5.867 1.00 0.00 C ATOM 0 HA PRO A 81 16.941 -2.860 7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.252 -3.935 6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.929 -3.529 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.421 -1.944 6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.671 -2.250 4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.298 0.096 6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.078 -0.560 4.967 1.00 0.00 H new ATOM 1164 N MET A 82 18.652 -3.686 9.417 1.00 0.00 N ATOM 1165 CA MET A 82 19.389 -3.925 10.652 1.00 0.00 C ATOM 1166 C MET A 82 20.864 -4.188 10.363 1.00 0.00 C ATOM 1167 O MET A 82 21.718 -4.006 11.231 1.00 0.00 O ATOM 1168 CB MET A 82 18.786 -5.110 11.409 1.00 0.00 C ATOM 1169 CG MET A 82 18.596 -6.348 10.548 1.00 0.00 C ATOM 1170 SD MET A 82 18.509 -7.863 11.521 1.00 0.00 S ATOM 1171 CE MET A 82 16.749 -7.962 11.836 1.00 0.00 C ATOM 0 H MET A 82 18.088 -4.476 9.103 1.00 0.00 H new ATOM 0 HA MET A 82 19.312 -3.031 11.271 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.431 -5.359 12.251 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.822 -4.814 11.823 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.682 -6.243 9.964 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.420 -6.423 9.839 1.00 0.00 H new ATOM 0 HE1 MET A 82 16.535 -8.851 12.430 1.00 0.00 H new ATOM 0 HE2 MET A 82 16.426 -7.075 12.381 1.00 0.00 H new ATOM 0 HE3 MET A 82 16.213 -8.021 10.889 1.00 0.00 H new ATOM 1181 N ASP A 83 21.158 -4.617 9.138 1.00 0.00 N ATOM 1182 CA ASP A 83 22.530 -4.904 8.737 1.00 0.00 C ATOM 1183 C ASP A 83 23.325 -3.613 8.565 1.00 0.00 C ATOM 1184 O ASP A 83 24.468 -3.512 9.012 1.00 0.00 O ATOM 1185 CB ASP A 83 22.544 -5.707 7.435 1.00 0.00 C ATOM 1186 CG ASP A 83 23.414 -6.945 7.530 1.00 0.00 C ATOM 1187 OD1 ASP A 83 24.361 -6.945 8.345 1.00 0.00 O ATOM 1188 OD2 ASP A 83 23.149 -7.916 6.790 1.00 0.00 O ATOM 0 H ASP A 83 20.464 -4.773 8.407 1.00 0.00 H new ATOM 0 HA ASP A 83 22.999 -5.495 9.523 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.525 -6.000 7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 83 22.905 -5.074 6.624 1.00 0.00 H new ATOM 1193 N GLY A 84 22.712 -2.628 7.917 1.00 0.00 N ATOM 1194 CA GLY A 84 23.377 -1.358 7.699 1.00 0.00 C ATOM 1195 C GLY A 84 23.175 -0.828 6.293 1.00 0.00 C ATOM 1196 O GLY A 84 22.945 -1.597 5.359 1.00 0.00 O ATOM 0 H GLY A 84 21.766 -2.687 7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 84 23.002 -0.628 8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.444 -1.473 7.890 1.00 0.00 H new ATOM 1200 N ASP A 85 23.262 0.490 6.143 1.00 0.00 N ATOM 1201 CA ASP A 85 23.088 1.129 4.843 1.00 0.00 C ATOM 1202 C ASP A 85 21.664 0.933 4.324 1.00 0.00 C ATOM 1203 O ASP A 85 21.270 -0.182 3.981 1.00 0.00 O ATOM 1204 CB ASP A 85 24.093 0.566 3.834 1.00 0.00 C ATOM 1205 CG ASP A 85 25.316 1.449 3.682 1.00 0.00 C ATOM 1206 OD1 ASP A 85 25.148 2.645 3.362 1.00 0.00 O ATOM 1207 OD2 ASP A 85 26.441 0.945 3.881 1.00 0.00 O ATOM 0 H ASP A 85 23.452 1.138 6.908 1.00 0.00 H new ATOM 0 HA ASP A 85 23.267 2.197 4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.404 -0.429 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.607 0.454 2.865 1.00 0.00 H new ATOM 1212 N PRO A 86 20.867 2.017 4.257 1.00 0.00 N ATOM 1213 CA PRO A 86 19.484 1.948 3.773 1.00 0.00 C ATOM 1214 C PRO A 86 19.381 1.263 2.415 1.00 0.00 C ATOM 1215 O PRO A 86 20.290 1.359 1.590 1.00 0.00 O ATOM 1216 CB PRO A 86 19.069 3.416 3.664 1.00 0.00 C ATOM 1217 CG PRO A 86 19.941 4.130 4.637 1.00 0.00 C ATOM 1218 CD PRO A 86 21.249 3.390 4.642 1.00 0.00 C ATOM 0 HA PRO A 86 18.849 1.362 4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.213 3.794 2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.015 3.548 3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.082 5.170 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.493 4.137 5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 86 21.958 3.823 3.936 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.721 3.415 5.624 1.00 0.00 H new ATOM 1226 N VAL A 87 18.269 0.573 2.187 1.00 0.00 N ATOM 1227 CA VAL A 87 18.049 -0.127 0.927 1.00 0.00 C ATOM 1228 C VAL A 87 16.692 0.229 0.332 1.00 0.00 C ATOM 1229 O VAL A 87 15.694 0.318 1.047 1.00 0.00 O ATOM 1230 CB VAL A 87 18.133 -1.654 1.110 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.569 -2.084 1.368 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.221 -2.107 2.241 1.00 0.00 C ATOM 0 H VAL A 87 17.506 0.483 2.858 1.00 0.00 H new ATOM 0 HA VAL A 87 18.837 0.193 0.245 1.00 0.00 H new ATOM 0 HB VAL A 87 17.796 -2.131 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.608 -3.166 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.193 -1.795 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.937 -1.599 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.293 -3.189 2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.524 -1.622 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.191 -1.835 2.009 1.00 0.00 H new ATOM 1242 N GLU A 88 16.661 0.429 -0.981 1.00 0.00 N ATOM 1243 CA GLU A 88 15.425 0.775 -1.671 1.00 0.00 C ATOM 1244 C GLU A 88 14.426 -0.376 -1.601 1.00 0.00 C ATOM 1245 O GLU A 88 14.648 -1.440 -2.180 1.00 0.00 O ATOM 1246 CB GLU A 88 15.712 1.131 -3.132 1.00 0.00 C ATOM 1247 CG GLU A 88 15.094 2.450 -3.569 1.00 0.00 C ATOM 1248 CD GLU A 88 15.349 2.756 -5.032 1.00 0.00 C ATOM 1249 OE1 GLU A 88 16.431 2.388 -5.536 1.00 0.00 O ATOM 1250 OE2 GLU A 88 14.467 3.364 -5.674 1.00 0.00 O ATOM 0 H GLU A 88 17.478 0.357 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 88 14.990 1.642 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.791 1.178 -3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.336 0.333 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.019 2.421 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.498 3.257 -2.957 1.00 0.00 H new ATOM 1257 N ALA A 89 13.326 -0.155 -0.890 1.00 0.00 N ATOM 1258 CA ALA A 89 12.294 -1.172 -0.746 1.00 0.00 C ATOM 1259 C ALA A 89 11.076 -0.838 -1.598 1.00 0.00 C ATOM 1260 O ALA A 89 10.682 0.324 -1.706 1.00 0.00 O ATOM 1261 CB ALA A 89 11.895 -1.316 0.715 1.00 0.00 C ATOM 0 H ALA A 89 13.127 0.720 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 89 12.701 -2.121 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.123 -2.080 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.766 -1.607 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.510 -0.365 1.083 1.00 0.00 H new ATOM 1267 N ASN A 90 10.483 -1.861 -2.203 1.00 0.00 N ATOM 1268 CA ASN A 90 9.310 -1.672 -3.047 1.00 0.00 C ATOM 1269 C ASN A 90 8.279 -2.770 -2.802 1.00 0.00 C ATOM 1270 O ASN A 90 8.572 -3.956 -2.956 1.00 0.00 O ATOM 1271 CB ASN A 90 9.714 -1.641 -4.526 1.00 0.00 C ATOM 1272 CG ASN A 90 10.043 -3.017 -5.079 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.374 -3.509 -5.987 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.078 -3.644 -4.532 1.00 0.00 N ATOM 0 H ASN A 90 10.795 -2.829 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 90 8.857 -0.715 -2.788 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.903 -1.205 -5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.580 -0.990 -4.647 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.346 -4.571 -4.863 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.605 -3.199 -3.781 1.00 0.00 H new ATOM 1281 N VAL A 91 7.071 -2.368 -2.422 1.00 0.00 N ATOM 1282 CA VAL A 91 5.999 -3.320 -2.159 1.00 0.00 C ATOM 1283 C VAL A 91 4.720 -2.923 -2.887 1.00 0.00 C ATOM 1284 O VAL A 91 4.289 -1.771 -2.824 1.00 0.00 O ATOM 1285 CB VAL A 91 5.706 -3.436 -0.650 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.193 -2.115 -0.097 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.710 -4.556 -0.385 1.00 0.00 C ATOM 0 H VAL A 91 6.810 -1.391 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 91 6.338 -4.288 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 91 6.637 -3.677 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.993 -2.220 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.944 -1.340 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.274 -1.837 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.515 -4.624 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.779 -4.347 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.122 -5.501 -0.739 1.00 0.00 H new ATOM 1297 N ASN A 92 4.115 -3.885 -3.574 1.00 0.00 N ATOM 1298 CA ASN A 92 2.884 -3.637 -4.310 1.00 0.00 C ATOM 1299 C ASN A 92 1.670 -3.845 -3.406 1.00 0.00 C ATOM 1300 O ASN A 92 1.326 -4.974 -3.062 1.00 0.00 O ATOM 1301 CB ASN A 92 2.820 -4.552 -5.543 1.00 0.00 C ATOM 1302 CG ASN A 92 1.403 -4.858 -5.993 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.507 -4.021 -5.881 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.196 -6.065 -6.505 1.00 0.00 N ATOM 0 H ASN A 92 4.458 -4.844 -3.636 1.00 0.00 H new ATOM 0 HA ASN A 92 2.873 -2.601 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.361 -4.081 -6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.332 -5.488 -5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.265 -6.330 -6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.968 -6.727 -6.579 1.00 0.00 H new ATOM 1311 N LEU A 93 1.027 -2.743 -3.024 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.148 -2.799 -2.156 1.00 0.00 C ATOM 1313 C LEU A 93 -1.156 -3.826 -2.663 1.00 0.00 C ATOM 1314 O LEU A 93 -1.781 -4.539 -1.878 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.808 -1.421 -2.069 1.00 0.00 C ATOM 1316 CG LEU A 93 -0.127 -0.434 -1.120 1.00 0.00 C ATOM 1317 CD1 LEU A 93 0.013 -1.037 0.269 1.00 0.00 C ATOM 1318 CD2 LEU A 93 1.233 -0.024 -1.665 1.00 0.00 C ATOM 0 H LEU A 93 1.300 -1.800 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 93 0.181 -3.103 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.832 -0.983 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.843 -1.550 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.751 0.457 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.500 -0.320 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.974 -1.280 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.614 -1.944 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.704 0.679 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.864 -0.907 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.107 0.450 -2.638 1.00 0.00 H new ATOM 1330 N SER A 94 -1.301 -3.901 -3.981 1.00 0.00 N ATOM 1331 CA SER A 94 -2.226 -4.844 -4.601 1.00 0.00 C ATOM 1332 C SER A 94 -1.877 -6.289 -4.238 1.00 0.00 C ATOM 1333 O SER A 94 -2.667 -7.202 -4.470 1.00 0.00 O ATOM 1334 CB SER A 94 -2.225 -4.668 -6.123 1.00 0.00 C ATOM 1335 OG SER A 94 -1.312 -5.556 -6.745 1.00 0.00 O ATOM 0 H SER A 94 -0.788 -3.318 -4.643 1.00 0.00 H new ATOM 0 HA SER A 94 -3.224 -4.632 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.228 -4.844 -6.512 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.962 -3.640 -6.372 1.00 0.00 H new ATOM 0 HG SER A 94 -1.762 -6.029 -7.476 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.687 -6.496 -3.684 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.246 -7.833 -3.308 1.00 0.00 C ATOM 1343 C GLU A 95 -1.130 -8.428 -2.216 1.00 0.00 C ATOM 1344 O GLU A 95 -1.524 -9.592 -2.293 1.00 0.00 O ATOM 1345 CB GLU A 95 1.205 -7.799 -2.829 1.00 0.00 C ATOM 1346 CG GLU A 95 2.216 -7.661 -3.956 1.00 0.00 C ATOM 1347 CD GLU A 95 3.289 -8.732 -3.914 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.757 -9.060 -2.803 1.00 0.00 O ATOM 1349 OE2 GLU A 95 3.662 -9.242 -4.991 1.00 0.00 O ATOM 0 H GLU A 95 -0.013 -5.757 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.323 -8.464 -4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.330 -6.967 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.416 -8.712 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.696 -7.710 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.686 -6.679 -3.899 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.426 -7.633 -1.190 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.249 -8.103 -0.080 1.00 0.00 C ATOM 1358 C ARG A 96 -3.247 -7.041 0.369 1.00 0.00 C ATOM 1359 O ARG A 96 -3.509 -6.890 1.563 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.361 -8.502 1.099 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.390 -9.626 0.779 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.906 -10.963 1.282 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.357 -11.301 2.594 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.374 -12.528 3.110 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -0.911 -13.534 2.430 1.00 0.00 N ATOM 1366 NH2 ARG A 96 0.148 -12.750 4.308 1.00 0.00 N ATOM 0 H ARG A 96 -1.110 -6.667 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.810 -8.970 -0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.797 -7.630 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.994 -8.807 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.232 -9.677 -0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.578 -9.413 1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.994 -10.933 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.646 -11.744 0.568 1.00 0.00 H new ATOM 0 HE ARG A 96 0.063 -10.553 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.313 -13.369 1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.921 -14.472 2.830 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.563 -11.981 4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.135 -13.690 4.704 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.809 -6.311 -0.586 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.782 -5.275 -0.270 1.00 0.00 C ATOM 1382 C ILE A 97 -6.078 -5.504 -1.039 1.00 0.00 C ATOM 1383 O ILE A 97 -6.092 -5.484 -2.266 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.222 -3.873 -0.594 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -3.043 -3.553 0.327 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.306 -2.809 -0.461 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.436 -3.380 1.779 1.00 0.00 C ATOM 0 H ILE A 97 -3.609 -6.417 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.989 -5.328 0.799 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.874 -3.872 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.307 -4.353 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.559 -2.640 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.886 -1.831 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.119 -3.029 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.689 -2.805 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.549 -3.155 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.149 -2.560 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.893 -4.300 2.144 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.166 -5.721 -0.310 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.447 -5.956 -0.948 1.00 0.00 C ATOM 1401 C GLY A 98 -9.483 -4.908 -0.597 1.00 0.00 C ATOM 1402 O GLY A 98 -9.209 -3.984 0.169 1.00 0.00 O ATOM 0 H GLY A 98 -7.184 -5.738 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.310 -5.976 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.818 -6.938 -0.655 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.680 -5.057 -1.157 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.769 -4.123 -0.901 1.00 0.00 C ATOM 1408 C ASN A 99 -13.059 -4.874 -0.581 1.00 0.00 C ATOM 1409 O ASN A 99 -13.723 -5.395 -1.477 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.982 -3.211 -2.110 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.186 -3.992 -3.394 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.353 -4.816 -3.771 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.299 -3.736 -4.072 1.00 0.00 N ATOM 0 H ASN A 99 -10.920 -5.818 -1.792 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.499 -3.512 -0.040 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.849 -2.575 -1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.121 -2.553 -2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.491 -4.231 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.962 -3.044 -3.722 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.405 -4.929 0.701 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.613 -5.620 1.138 1.00 0.00 C ATOM 1422 C ASP A 100 -15.798 -4.663 1.205 1.00 0.00 C ATOM 1423 O ASP A 100 -15.797 -3.712 1.987 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.388 -6.268 2.505 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.568 -7.112 2.946 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.340 -7.558 2.070 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.721 -7.327 4.166 1.00 0.00 O ATOM 0 H ASP A 100 -12.866 -4.504 1.455 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.840 -6.396 0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.494 -6.890 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.203 -5.491 3.247 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.809 -4.923 0.381 1.00 0.00 N ATOM 1433 CA CYS A 101 -18.005 -4.086 0.346 1.00 0.00 C ATOM 1434 C CYS A 101 -17.642 -2.620 0.136 1.00 0.00 C ATOM 1435 O CYS A 101 -18.336 -1.723 0.615 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.801 -4.245 1.643 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.528 -3.726 1.517 1.00 0.00 S ATOM 0 H CYS A 101 -16.824 -5.707 -0.272 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.619 -4.411 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.768 -5.290 1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.315 -3.666 2.428 1.00 0.00 H new ATOM 0 HG CYS A 101 -21.118 -3.900 2.662 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.549 -2.383 -0.582 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.112 -1.024 -0.840 1.00 0.00 C ATOM 1445 C GLY A 102 -15.106 -0.530 0.182 1.00 0.00 C ATOM 1446 O GLY A 102 -14.422 0.469 -0.045 1.00 0.00 O ATOM 0 H GLY A 102 -15.958 -3.108 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.669 -0.971 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.978 -0.362 -0.841 1.00 0.00 H new ATOM 1450 N THR A 103 -15.012 -1.228 1.311 1.00 0.00 N ATOM 1451 CA THR A 103 -14.081 -0.850 2.368 1.00 0.00 C ATOM 1452 C THR A 103 -12.706 -1.463 2.124 1.00 0.00 C ATOM 1453 O THR A 103 -12.595 -2.592 1.647 1.00 0.00 O ATOM 1454 CB THR A 103 -14.615 -1.294 3.730 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.992 -0.983 3.854 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.893 -0.651 4.894 1.00 0.00 C ATOM 0 H THR A 103 -15.569 -2.057 1.516 1.00 0.00 H new ATOM 0 HA THR A 103 -13.983 0.236 2.361 1.00 0.00 H new ATOM 0 HB THR A 103 -14.448 -2.370 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.316 -1.276 4.731 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.321 -1.009 5.830 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.835 -0.912 4.855 1.00 0.00 H new ATOM 0 HG23 THR A 103 -14.002 0.432 4.836 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.662 -0.710 2.453 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.293 -1.178 2.269 1.00 0.00 C ATOM 1466 C LEU A 104 -9.937 -2.244 3.301 1.00 0.00 C ATOM 1467 O LEU A 104 -10.119 -2.045 4.502 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.316 -0.003 2.367 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.626 0.377 1.055 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.687 -0.732 0.606 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.657 0.676 -0.024 1.00 0.00 C ATOM 0 H LEU A 104 -11.738 0.227 2.849 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.216 -1.624 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.855 0.867 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.551 -0.247 3.105 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.037 1.278 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.205 -0.445 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.927 -0.897 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.255 -1.650 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.148 0.944 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.274 -0.207 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.289 1.505 0.296 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.427 -3.374 2.823 1.00 0.00 N ATOM 1484 CA ILE A 105 -9.043 -4.472 3.703 1.00 0.00 C ATOM 1485 C ILE A 105 -7.673 -5.026 3.323 1.00 0.00 C ATOM 1486 O ILE A 105 -7.120 -4.679 2.279 1.00 0.00 O ATOM 1487 CB ILE A 105 -10.076 -5.614 3.663 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.213 -6.163 2.242 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.422 -5.129 4.181 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.371 -7.667 2.186 1.00 0.00 C ATOM 0 H ILE A 105 -9.270 -3.554 1.831 1.00 0.00 H new ATOM 0 HA ILE A 105 -9.002 -4.067 4.714 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.727 -6.419 4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.074 -5.698 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.334 -5.877 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.141 -5.947 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.313 -4.784 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.777 -4.307 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.463 -7.985 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.498 -8.141 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.266 -7.960 2.735 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.131 -5.887 4.178 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.827 -6.488 3.935 1.00 0.00 C ATOM 1504 C PHE A 106 -5.941 -8.011 3.867 1.00 0.00 C ATOM 1505 O PHE A 106 -6.658 -8.625 4.656 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.844 -6.068 5.035 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.700 -7.021 5.232 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.817 -8.083 6.111 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.514 -6.856 4.538 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.770 -8.966 6.296 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.463 -7.734 4.718 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.591 -8.791 5.598 1.00 0.00 C ATOM 0 H PHE A 106 -7.576 -6.184 5.046 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.451 -6.134 2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.445 -5.083 4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.387 -5.970 5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.737 -8.224 6.659 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.409 -6.032 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.873 -9.791 6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.542 -7.594 4.171 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.771 -9.479 5.740 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.229 -8.611 2.918 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.252 -10.059 2.747 1.00 0.00 C ATOM 1524 C LEU A 107 -4.584 -10.755 3.928 1.00 0.00 C ATOM 1525 O LEU A 107 -3.361 -10.735 4.062 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.550 -10.451 1.445 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.453 -10.495 0.211 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.574 -11.503 0.406 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -6.020 -9.114 -0.083 1.00 0.00 C ATOM 0 H LEU A 107 -4.630 -8.117 2.257 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.293 -10.379 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.741 -9.745 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.093 -11.432 1.577 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.854 -10.810 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.206 -11.520 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.149 -12.493 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.172 -11.219 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.660 -9.163 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.604 -8.771 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.203 -8.417 -0.267 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.396 -11.369 4.782 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.885 -12.071 5.953 1.00 0.00 C ATOM 1543 C ALA A 108 -5.347 -13.524 5.967 1.00 0.00 C ATOM 1544 O ALA A 108 -6.521 -13.767 6.317 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.325 -11.363 7.225 1.00 0.00 C ATOM 1546 OXT ALA A 108 -4.531 -14.407 5.627 1.00 0.00 O ATOM 0 H ALA A 108 -6.411 -11.395 4.685 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.796 -12.064 5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.937 -11.898 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.940 -10.343 7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.414 -11.340 7.271 1.00 0.00 H new