USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 903 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 76 SER OG : rot -167:sc= 0.614 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0.0874 USER MOD Set 2.1: A 17 THR OG1 : rot 83:sc= 0.646 USER MOD Set 2.2: A 18 GLN : amide:sc= -1.48! C(o=-0.84!,f=-2.9!) USER MOD Set 3.1: A 3 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.21) USER MOD Set 3.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.286 K(o=-0.29,f=-3.4!) USER MOD Single : A 13 THR OG1 : rot -73:sc= 0.778 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.73! C(o=-2.7!,f=-7.3!) USER MOD Single : A 43 GLN : amide:sc= -0.404 K(o=-0.4,f=-3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 66 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.0021) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -121:sc= -0.0341 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -16:sc= -0.677! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 5:sc= 0.486 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 130:sc= 0.366 USER MOD Single : A 100 TYR OH : rot 180:sc= -0.503 USER MOD Single : A 101 ASN : amide:sc= -0.193 K(o=-0.19,f=-5.1!) USER MOD Single : A 103 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0499) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 14 N TRP A 2 9.136 5.292 -1.164 1.00 0.00 N ATOM 15 CA TRP A 2 9.159 4.302 -2.277 1.00 0.00 C ATOM 16 C TRP A 2 9.465 5.020 -3.593 1.00 0.00 C ATOM 17 O TRP A 2 9.020 4.611 -4.643 1.00 0.00 O ATOM 18 CB TRP A 2 7.793 3.622 -2.390 1.00 0.00 C ATOM 19 CG TRP A 2 7.695 2.507 -1.399 1.00 0.00 C ATOM 20 CD1 TRP A 2 7.642 1.193 -1.714 1.00 0.00 C ATOM 21 CD2 TRP A 2 7.633 2.583 0.053 1.00 0.00 C ATOM 22 NE1 TRP A 2 7.551 0.457 -0.547 1.00 0.00 N ATOM 23 CE2 TRP A 2 7.542 1.268 0.570 1.00 0.00 C ATOM 24 CE3 TRP A 2 7.645 3.655 0.963 1.00 0.00 C ATOM 25 CZ2 TRP A 2 7.465 1.025 1.942 1.00 0.00 C ATOM 26 CZ3 TRP A 2 7.570 3.413 2.345 1.00 0.00 C ATOM 27 CH2 TRP A 2 7.480 2.102 2.833 1.00 0.00 C ATOM 0 HA TRP A 2 9.926 3.555 -2.075 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.000 4.348 -2.213 1.00 0.00 H new ATOM 0 HB3 TRP A 2 7.652 3.236 -3.400 1.00 0.00 H new ATOM 0 HD1 TRP A 2 7.667 0.785 -2.714 1.00 0.00 H new ATOM 0 HE1 TRP A 2 7.497 -0.561 -0.515 1.00 0.00 H new ATOM 0 HE3 TRP A 2 7.712 4.669 0.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 7.394 0.013 2.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 7.582 4.243 3.036 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.422 1.924 3.897 1.00 0.00 H new ATOM 38 N GLN A 3 10.216 6.088 -3.552 1.00 0.00 N ATOM 39 CA GLN A 3 10.536 6.815 -4.815 1.00 0.00 C ATOM 40 C GLN A 3 11.562 6.008 -5.616 1.00 0.00 C ATOM 41 O GLN A 3 11.236 5.376 -6.603 1.00 0.00 O ATOM 42 CB GLN A 3 11.103 8.201 -4.488 1.00 0.00 C ATOM 43 CG GLN A 3 10.832 9.151 -5.658 1.00 0.00 C ATOM 44 CD GLN A 3 12.107 9.328 -6.486 1.00 0.00 C ATOM 45 OE1 GLN A 3 12.066 9.279 -7.699 1.00 0.00 O ATOM 46 NE2 GLN A 3 13.243 9.535 -5.881 1.00 0.00 N ATOM 0 H GLN A 3 10.620 6.487 -2.704 1.00 0.00 H new ATOM 0 HA GLN A 3 9.628 6.936 -5.406 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.645 8.588 -3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.175 8.133 -4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.033 8.754 -6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.493 10.117 -5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.278 9.576 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.097 9.656 -6.426 1.00 0.00 H new ATOM 55 N THR A 4 12.797 6.013 -5.196 1.00 0.00 N ATOM 56 CA THR A 4 13.832 5.237 -5.933 1.00 0.00 C ATOM 57 C THR A 4 13.571 3.743 -5.735 1.00 0.00 C ATOM 58 O THR A 4 14.182 2.906 -6.370 1.00 0.00 O ATOM 59 CB THR A 4 15.219 5.598 -5.395 1.00 0.00 C ATOM 60 OG1 THR A 4 15.313 7.007 -5.249 1.00 0.00 O ATOM 61 CG2 THR A 4 16.290 5.112 -6.371 1.00 0.00 C ATOM 0 H THR A 4 13.133 6.519 -4.377 1.00 0.00 H new ATOM 0 HA THR A 4 13.788 5.476 -6.996 1.00 0.00 H new ATOM 0 HB THR A 4 15.371 5.120 -4.427 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.199 7.242 -4.903 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.277 5.370 -5.986 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.216 4.030 -6.484 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.142 5.589 -7.340 1.00 0.00 H new ATOM 69 N TYR A 5 12.661 3.403 -4.861 1.00 0.00 N ATOM 70 CA TYR A 5 12.354 1.966 -4.626 1.00 0.00 C ATOM 71 C TYR A 5 11.264 1.519 -5.607 1.00 0.00 C ATOM 72 O TYR A 5 11.258 0.397 -6.074 1.00 0.00 O ATOM 73 CB TYR A 5 11.862 1.776 -3.188 1.00 0.00 C ATOM 74 CG TYR A 5 12.883 2.314 -2.211 1.00 0.00 C ATOM 75 CD1 TYR A 5 14.224 2.441 -2.592 1.00 0.00 C ATOM 76 CD2 TYR A 5 12.485 2.677 -0.919 1.00 0.00 C ATOM 77 CE1 TYR A 5 15.168 2.932 -1.681 1.00 0.00 C ATOM 78 CE2 TYR A 5 13.428 3.167 -0.007 1.00 0.00 C ATOM 79 CZ TYR A 5 14.769 3.295 -0.388 1.00 0.00 C ATOM 80 OH TYR A 5 15.698 3.777 0.512 1.00 0.00 O ATOM 0 H TYR A 5 12.118 4.060 -4.301 1.00 0.00 H new ATOM 0 HA TYR A 5 13.252 1.368 -4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.911 2.290 -3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 5 11.684 0.718 -2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 5 14.531 2.160 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 5 11.450 2.579 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 5 16.202 3.031 -1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.121 3.446 0.990 1.00 0.00 H new ATOM 0 HH TYR A 5 15.255 3.982 1.362 1.00 0.00 H new ATOM 90 N VAL A 6 10.347 2.395 -5.930 1.00 0.00 N ATOM 91 CA VAL A 6 9.262 2.028 -6.888 1.00 0.00 C ATOM 92 C VAL A 6 9.895 1.659 -8.229 1.00 0.00 C ATOM 93 O VAL A 6 9.403 0.823 -8.957 1.00 0.00 O ATOM 94 CB VAL A 6 8.308 3.231 -7.055 1.00 0.00 C ATOM 95 CG1 VAL A 6 8.017 3.523 -8.536 1.00 0.00 C ATOM 96 CG2 VAL A 6 6.985 2.932 -6.347 1.00 0.00 C ATOM 0 H VAL A 6 10.303 3.349 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 6 8.693 1.177 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 6 8.793 4.104 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.342 4.376 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.950 3.750 -9.052 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.552 2.650 -8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.310 3.780 -6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.530 2.044 -6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.171 2.759 -5.287 1.00 0.00 H new ATOM 106 N ASP A 7 10.970 2.303 -8.566 1.00 0.00 N ATOM 107 CA ASP A 7 11.625 2.017 -9.868 1.00 0.00 C ATOM 108 C ASP A 7 11.802 0.510 -10.059 1.00 0.00 C ATOM 109 O ASP A 7 10.953 -0.154 -10.619 1.00 0.00 O ATOM 110 CB ASP A 7 12.987 2.711 -9.918 1.00 0.00 C ATOM 111 CG ASP A 7 12.793 4.228 -9.848 1.00 0.00 C ATOM 112 OD1 ASP A 7 11.789 4.702 -10.354 1.00 0.00 O ATOM 113 OD2 ASP A 7 13.653 4.890 -9.290 1.00 0.00 O ATOM 0 H ASP A 7 11.425 3.016 -7.997 1.00 0.00 H new ATOM 0 HA ASP A 7 10.993 2.396 -10.671 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.608 2.375 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.510 2.443 -10.836 1.00 0.00 H new ATOM 118 N THR A 8 12.901 -0.035 -9.621 1.00 0.00 N ATOM 119 CA THR A 8 13.119 -1.499 -9.812 1.00 0.00 C ATOM 120 C THR A 8 13.617 -2.141 -8.517 1.00 0.00 C ATOM 121 O THR A 8 14.078 -3.265 -8.514 1.00 0.00 O ATOM 122 CB THR A 8 14.156 -1.715 -10.915 1.00 0.00 C ATOM 123 OG1 THR A 8 15.219 -0.787 -10.750 1.00 0.00 O ATOM 124 CG2 THR A 8 13.501 -1.507 -12.282 1.00 0.00 C ATOM 0 H THR A 8 13.653 0.462 -9.143 1.00 0.00 H new ATOM 0 HA THR A 8 12.173 -1.962 -10.092 1.00 0.00 H new ATOM 0 HB THR A 8 14.547 -2.731 -10.854 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.886 -0.925 -11.455 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.241 -1.661 -13.067 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.686 -2.219 -12.407 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.109 -0.492 -12.347 1.00 0.00 H new ATOM 132 N ASN A 9 13.528 -1.450 -7.416 1.00 0.00 N ATOM 133 CA ASN A 9 13.997 -2.053 -6.138 1.00 0.00 C ATOM 134 C ASN A 9 12.804 -2.650 -5.400 1.00 0.00 C ATOM 135 O ASN A 9 12.558 -3.826 -5.493 1.00 0.00 O ATOM 136 CB ASN A 9 14.674 -0.989 -5.271 1.00 0.00 C ATOM 137 CG ASN A 9 16.182 -0.997 -5.535 1.00 0.00 C ATOM 138 OD1 ASN A 9 16.704 -1.930 -6.111 1.00 0.00 O ATOM 139 ND2 ASN A 9 16.909 0.010 -5.134 1.00 0.00 N ATOM 0 H ASN A 9 13.155 -0.503 -7.345 1.00 0.00 H new ATOM 0 HA ASN A 9 14.723 -2.838 -6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.260 -0.006 -5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.478 -1.185 -4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.915 0.013 -5.305 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.472 0.794 -4.650 1.00 0.00 H new ATOM 146 N LEU A 10 12.054 -1.861 -4.672 1.00 0.00 N ATOM 147 CA LEU A 10 10.877 -2.432 -3.949 1.00 0.00 C ATOM 148 C LEU A 10 9.850 -2.918 -4.963 1.00 0.00 C ATOM 149 O LEU A 10 9.046 -3.784 -4.682 1.00 0.00 O ATOM 150 CB LEU A 10 10.232 -1.371 -3.060 1.00 0.00 C ATOM 151 CG LEU A 10 10.825 -1.459 -1.653 1.00 0.00 C ATOM 152 CD1 LEU A 10 12.349 -1.366 -1.733 1.00 0.00 C ATOM 153 CD2 LEU A 10 10.287 -0.308 -0.803 1.00 0.00 C ATOM 0 H LEU A 10 12.203 -0.860 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 10 11.216 -3.261 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.403 -0.379 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.153 -1.520 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 10 10.545 -2.409 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.771 -1.429 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.732 -2.186 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.632 -0.416 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.708 -0.369 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.568 0.642 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.201 -0.375 -0.745 1.00 0.00 H new ATOM 165 N VAL A 11 9.870 -2.375 -6.145 1.00 0.00 N ATOM 166 CA VAL A 11 8.892 -2.822 -7.168 1.00 0.00 C ATOM 167 C VAL A 11 9.457 -4.055 -7.868 1.00 0.00 C ATOM 168 O VAL A 11 8.856 -5.110 -7.860 1.00 0.00 O ATOM 169 CB VAL A 11 8.643 -1.689 -8.182 1.00 0.00 C ATOM 170 CG1 VAL A 11 8.135 -2.269 -9.507 1.00 0.00 C ATOM 171 CG2 VAL A 11 7.594 -0.728 -7.617 1.00 0.00 C ATOM 0 H VAL A 11 10.517 -1.646 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 11 7.941 -3.073 -6.699 1.00 0.00 H new ATOM 0 HB VAL A 11 9.578 -1.158 -8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.962 -1.459 -10.216 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.879 -2.955 -9.913 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.202 -2.806 -9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.415 0.076 -8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.665 -1.268 -7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.955 -0.306 -6.679 1.00 0.00 H new ATOM 181 N GLY A 12 10.616 -3.942 -8.454 1.00 0.00 N ATOM 182 CA GLY A 12 11.210 -5.128 -9.122 1.00 0.00 C ATOM 183 C GLY A 12 11.107 -6.304 -8.156 1.00 0.00 C ATOM 184 O GLY A 12 10.868 -7.428 -8.551 1.00 0.00 O ATOM 0 H GLY A 12 11.172 -3.088 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.683 -5.348 -10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.251 -4.938 -9.384 1.00 0.00 H new ATOM 188 N THR A 13 11.265 -6.033 -6.882 1.00 0.00 N ATOM 189 CA THR A 13 11.162 -7.105 -5.848 1.00 0.00 C ATOM 190 C THR A 13 11.954 -6.726 -4.600 1.00 0.00 C ATOM 191 O THR A 13 12.711 -7.514 -4.069 1.00 0.00 O ATOM 192 CB THR A 13 11.721 -8.410 -6.388 1.00 0.00 C ATOM 193 OG1 THR A 13 12.026 -9.287 -5.312 1.00 0.00 O ATOM 194 CG2 THR A 13 12.987 -8.116 -7.200 1.00 0.00 C ATOM 0 H THR A 13 11.463 -5.103 -6.513 1.00 0.00 H new ATOM 0 HA THR A 13 10.109 -7.223 -5.594 1.00 0.00 H new ATOM 0 HB THR A 13 10.980 -8.888 -7.030 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.827 -8.967 -4.846 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.394 -9.049 -7.591 1.00 0.00 H new ATOM 0 HG22 THR A 13 12.742 -7.452 -8.029 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.728 -7.638 -6.559 1.00 0.00 H new ATOM 202 N GLY A 14 11.762 -5.553 -4.094 1.00 0.00 N ATOM 203 CA GLY A 14 12.478 -5.177 -2.850 1.00 0.00 C ATOM 204 C GLY A 14 11.531 -5.478 -1.700 1.00 0.00 C ATOM 205 O GLY A 14 11.649 -4.939 -0.617 1.00 0.00 O ATOM 0 H GLY A 14 11.145 -4.839 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.404 -5.743 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.750 -4.122 -2.863 1.00 0.00 H new ATOM 209 N ALA A 15 10.575 -6.340 -1.955 1.00 0.00 N ATOM 210 CA ALA A 15 9.569 -6.704 -0.925 1.00 0.00 C ATOM 211 C ALA A 15 8.309 -7.129 -1.667 1.00 0.00 C ATOM 212 O ALA A 15 7.555 -7.967 -1.217 1.00 0.00 O ATOM 213 CB ALA A 15 9.253 -5.498 -0.035 1.00 0.00 C ATOM 0 H ALA A 15 10.454 -6.811 -2.852 1.00 0.00 H new ATOM 0 HA ALA A 15 9.947 -7.504 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.514 -5.782 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.164 -5.164 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.856 -4.688 -0.647 1.00 0.00 H new ATOM 219 N VAL A 16 8.086 -6.552 -2.819 1.00 0.00 N ATOM 220 CA VAL A 16 6.890 -6.911 -3.613 1.00 0.00 C ATOM 221 C VAL A 16 7.299 -6.988 -5.083 1.00 0.00 C ATOM 222 O VAL A 16 8.228 -6.331 -5.509 1.00 0.00 O ATOM 223 CB VAL A 16 5.828 -5.827 -3.424 1.00 0.00 C ATOM 224 CG1 VAL A 16 5.193 -5.970 -2.037 1.00 0.00 C ATOM 225 CG2 VAL A 16 6.492 -4.452 -3.534 1.00 0.00 C ATOM 0 H VAL A 16 8.688 -5.845 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 16 6.484 -7.870 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 16 5.059 -5.930 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.436 -5.197 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.729 -6.952 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.962 -5.862 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.741 -3.673 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.257 -4.355 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.952 -4.348 -4.517 1.00 0.00 H new ATOM 235 N THR A 17 6.614 -7.768 -5.871 1.00 0.00 N ATOM 236 CA THR A 17 6.977 -7.856 -7.315 1.00 0.00 C ATOM 237 C THR A 17 6.387 -6.651 -8.055 1.00 0.00 C ATOM 238 O THR A 17 6.358 -6.607 -9.266 1.00 0.00 O ATOM 239 CB THR A 17 6.413 -9.146 -7.911 1.00 0.00 C ATOM 240 OG1 THR A 17 5.006 -9.181 -7.715 1.00 0.00 O ATOM 241 CG2 THR A 17 7.055 -10.352 -7.225 1.00 0.00 C ATOM 0 H THR A 17 5.824 -8.345 -5.582 1.00 0.00 H new ATOM 0 HA THR A 17 8.062 -7.858 -7.419 1.00 0.00 H new ATOM 0 HB THR A 17 6.633 -9.179 -8.978 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.564 -8.664 -8.421 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.652 -11.270 -7.651 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.134 -10.325 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.838 -10.322 -6.157 1.00 0.00 H new ATOM 249 N GLN A 18 5.920 -5.675 -7.322 1.00 0.00 N ATOM 250 CA GLN A 18 5.325 -4.458 -7.944 1.00 0.00 C ATOM 251 C GLN A 18 5.067 -3.435 -6.836 1.00 0.00 C ATOM 252 O GLN A 18 5.282 -3.709 -5.673 1.00 0.00 O ATOM 253 CB GLN A 18 3.999 -4.818 -8.623 1.00 0.00 C ATOM 254 CG GLN A 18 4.247 -5.185 -10.089 1.00 0.00 C ATOM 255 CD GLN A 18 3.733 -6.601 -10.351 1.00 0.00 C ATOM 256 OE1 GLN A 18 4.377 -7.570 -10.003 1.00 0.00 O ATOM 257 NE2 GLN A 18 2.587 -6.765 -10.952 1.00 0.00 N ATOM 0 H GLN A 18 5.926 -5.671 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 18 6.004 -4.048 -8.692 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.530 -5.654 -8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.309 -3.977 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.741 -4.475 -10.744 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.311 -5.125 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.044 -5.953 -11.245 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.234 -7.705 -11.129 1.00 0.00 H new ATOM 266 N ALA A 19 4.608 -2.263 -7.171 1.00 0.00 N ATOM 267 CA ALA A 19 4.343 -1.247 -6.110 1.00 0.00 C ATOM 268 C ALA A 19 3.699 -0.008 -6.730 1.00 0.00 C ATOM 269 O ALA A 19 3.800 0.224 -7.918 1.00 0.00 O ATOM 270 CB ALA A 19 5.659 -0.850 -5.438 1.00 0.00 C ATOM 0 H ALA A 19 4.405 -1.964 -8.125 1.00 0.00 H new ATOM 0 HA ALA A 19 3.668 -1.674 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.463 -0.108 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.118 -1.731 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.335 -0.428 -6.182 1.00 0.00 H new ATOM 276 N ALA A 20 3.039 0.794 -5.939 1.00 0.00 N ATOM 277 CA ALA A 20 2.397 2.013 -6.502 1.00 0.00 C ATOM 278 C ALA A 20 2.282 3.091 -5.421 1.00 0.00 C ATOM 279 O ALA A 20 1.670 2.887 -4.393 1.00 0.00 O ATOM 280 CB ALA A 20 1.000 1.656 -7.014 1.00 0.00 C ATOM 0 H ALA A 20 2.918 0.659 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 20 3.006 2.394 -7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.526 2.546 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.080 0.894 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.397 1.273 -6.190 1.00 0.00 H new ATOM 286 N ILE A 21 2.845 4.250 -5.654 1.00 0.00 N ATOM 287 CA ILE A 21 2.740 5.342 -4.642 1.00 0.00 C ATOM 288 C ILE A 21 1.384 6.022 -4.819 1.00 0.00 C ATOM 289 O ILE A 21 1.205 6.851 -5.691 1.00 0.00 O ATOM 290 CB ILE A 21 3.856 6.373 -4.843 1.00 0.00 C ATOM 291 CG1 ILE A 21 5.156 5.671 -5.242 1.00 0.00 C ATOM 292 CG2 ILE A 21 4.082 7.136 -3.536 1.00 0.00 C ATOM 293 CD1 ILE A 21 5.700 4.887 -4.050 1.00 0.00 C ATOM 0 H ILE A 21 3.370 4.485 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 21 2.837 4.924 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 21 3.562 7.064 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.976 4.999 -6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.891 6.405 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.875 7.870 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.162 7.646 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.369 6.436 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.626 4.387 -4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.896 5.570 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.967 4.143 -3.739 1.00 0.00 H new ATOM 305 N LEU A 22 0.423 5.658 -4.013 1.00 0.00 N ATOM 306 CA LEU A 22 -0.935 6.256 -4.144 1.00 0.00 C ATOM 307 C LEU A 22 -0.948 7.679 -3.569 1.00 0.00 C ATOM 308 O LEU A 22 -0.897 8.648 -4.300 1.00 0.00 O ATOM 309 CB LEU A 22 -1.942 5.374 -3.395 1.00 0.00 C ATOM 310 CG LEU A 22 -2.367 4.197 -4.287 1.00 0.00 C ATOM 311 CD1 LEU A 22 -1.144 3.591 -4.983 1.00 0.00 C ATOM 312 CD2 LEU A 22 -3.042 3.121 -3.428 1.00 0.00 C ATOM 0 H LEU A 22 0.522 4.969 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.208 6.311 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.497 5.001 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.815 5.962 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.064 4.561 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.459 2.758 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.663 4.350 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.439 3.233 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.343 2.286 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.342 2.768 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.921 3.543 -2.941 1.00 0.00 H new ATOM 324 N GLY A 23 -1.025 7.821 -2.271 1.00 0.00 N ATOM 325 CA GLY A 23 -1.050 9.192 -1.672 1.00 0.00 C ATOM 326 C GLY A 23 -2.030 9.222 -0.494 1.00 0.00 C ATOM 327 O GLY A 23 -3.017 8.515 -0.482 1.00 0.00 O ATOM 0 H GLY A 23 -1.071 7.053 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.052 9.470 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.347 9.923 -2.424 1.00 0.00 H new ATOM 331 N LEU A 24 -1.771 10.037 0.496 1.00 0.00 N ATOM 332 CA LEU A 24 -2.700 10.103 1.663 1.00 0.00 C ATOM 333 C LEU A 24 -3.488 11.415 1.627 1.00 0.00 C ATOM 334 O LEU A 24 -4.498 11.558 2.288 1.00 0.00 O ATOM 335 CB LEU A 24 -1.909 10.019 2.975 1.00 0.00 C ATOM 336 CG LEU A 24 -0.793 11.066 2.983 1.00 0.00 C ATOM 337 CD1 LEU A 24 -1.036 12.061 4.121 1.00 0.00 C ATOM 338 CD2 LEU A 24 0.554 10.370 3.196 1.00 0.00 C ATOM 0 H LEU A 24 -0.962 10.656 0.547 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.391 9.262 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.576 10.180 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.484 9.022 3.089 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.784 11.597 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.242 12.807 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.997 12.555 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.043 11.530 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.351 11.114 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.544 9.841 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.728 9.659 2.389 1.00 0.00 H new ATOM 350 N ASP A 25 -3.039 12.376 0.867 1.00 0.00 N ATOM 351 CA ASP A 25 -3.775 13.670 0.803 1.00 0.00 C ATOM 352 C ASP A 25 -3.619 14.288 -0.588 1.00 0.00 C ATOM 353 O ASP A 25 -3.600 15.493 -0.744 1.00 0.00 O ATOM 354 CB ASP A 25 -3.209 14.629 1.854 1.00 0.00 C ATOM 355 CG ASP A 25 -4.084 14.585 3.108 1.00 0.00 C ATOM 356 OD1 ASP A 25 -5.280 14.786 2.978 1.00 0.00 O ATOM 357 OD2 ASP A 25 -3.543 14.351 4.175 1.00 0.00 O ATOM 0 H ASP A 25 -2.199 12.322 0.291 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.832 13.493 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.185 14.350 2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.176 15.643 1.456 1.00 0.00 H new ATOM 362 N GLY A 26 -3.509 13.474 -1.602 1.00 0.00 N ATOM 363 CA GLY A 26 -3.358 14.019 -2.980 1.00 0.00 C ATOM 364 C GLY A 26 -4.068 13.098 -3.974 1.00 0.00 C ATOM 365 O GLY A 26 -5.278 13.005 -3.994 1.00 0.00 O ATOM 0 H GLY A 26 -3.517 12.456 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.779 15.023 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.302 14.102 -3.236 1.00 0.00 H new ATOM 369 N ASN A 27 -3.321 12.419 -4.798 1.00 0.00 N ATOM 370 CA ASN A 27 -3.949 11.504 -5.790 1.00 0.00 C ATOM 371 C ASN A 27 -2.932 10.441 -6.206 1.00 0.00 C ATOM 372 O ASN A 27 -3.119 9.263 -5.971 1.00 0.00 O ATOM 373 CB ASN A 27 -4.384 12.302 -7.020 1.00 0.00 C ATOM 374 CG ASN A 27 -5.806 11.899 -7.415 1.00 0.00 C ATOM 375 OD1 ASN A 27 -6.759 12.565 -7.060 1.00 0.00 O ATOM 376 ND2 ASN A 27 -5.992 10.829 -8.141 1.00 0.00 N ATOM 0 H ASN A 27 -2.302 12.458 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.821 11.025 -5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.344 13.370 -6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.699 12.117 -7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.936 10.553 -8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.193 10.270 -8.439 1.00 0.00 H new ATOM 383 N THR A 28 -1.854 10.846 -6.821 1.00 0.00 N ATOM 384 CA THR A 28 -0.824 9.858 -7.248 1.00 0.00 C ATOM 385 C THR A 28 0.567 10.379 -6.882 1.00 0.00 C ATOM 386 O THR A 28 0.714 11.433 -6.295 1.00 0.00 O ATOM 387 CB THR A 28 -0.912 9.648 -8.761 1.00 0.00 C ATOM 388 OG1 THR A 28 -2.223 9.967 -9.206 1.00 0.00 O ATOM 389 CG2 THR A 28 -0.598 8.188 -9.093 1.00 0.00 C ATOM 0 H THR A 28 -1.643 11.818 -7.046 1.00 0.00 H new ATOM 0 HA THR A 28 -1.000 8.909 -6.741 1.00 0.00 H new ATOM 0 HB THR A 28 -0.192 10.295 -9.262 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.281 9.835 -10.175 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.661 8.038 -10.171 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.408 7.945 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.317 7.539 -8.594 1.00 0.00 H new ATOM 397 N TRP A 29 1.589 9.646 -7.224 1.00 0.00 N ATOM 398 CA TRP A 29 2.975 10.090 -6.898 1.00 0.00 C ATOM 399 C TRP A 29 3.956 9.409 -7.850 1.00 0.00 C ATOM 400 O TRP A 29 4.745 10.050 -8.515 1.00 0.00 O ATOM 401 CB TRP A 29 3.312 9.687 -5.461 1.00 0.00 C ATOM 402 CG TRP A 29 3.300 10.895 -4.581 1.00 0.00 C ATOM 403 CD1 TRP A 29 4.377 11.665 -4.302 1.00 0.00 C ATOM 404 CD2 TRP A 29 2.181 11.478 -3.856 1.00 0.00 C ATOM 405 NE1 TRP A 29 3.988 12.683 -3.450 1.00 0.00 N ATOM 406 CE2 TRP A 29 2.644 12.610 -3.147 1.00 0.00 C ATOM 407 CE3 TRP A 29 0.822 11.137 -3.746 1.00 0.00 C ATOM 408 CZ2 TRP A 29 1.788 13.377 -2.357 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -0.043 11.910 -2.951 1.00 0.00 C ATOM 410 CH2 TRP A 29 0.442 13.027 -2.258 1.00 0.00 C ATOM 0 H TRP A 29 1.525 8.755 -7.717 1.00 0.00 H new ATOM 0 HA TRP A 29 3.047 11.173 -7.003 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.589 8.955 -5.100 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.292 9.211 -5.427 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.376 11.510 -4.682 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.618 13.400 -3.090 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.440 10.276 -4.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.166 14.237 -1.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.086 11.641 -2.874 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.226 13.616 -1.648 1.00 0.00 H new ATOM 421 N ALA A 30 3.909 8.108 -7.916 1.00 0.00 N ATOM 422 CA ALA A 30 4.833 7.365 -8.819 1.00 0.00 C ATOM 423 C ALA A 30 4.448 5.888 -8.805 1.00 0.00 C ATOM 424 O ALA A 30 5.056 5.084 -8.128 1.00 0.00 O ATOM 425 CB ALA A 30 6.271 7.519 -8.318 1.00 0.00 C ATOM 0 H ALA A 30 3.267 7.524 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 30 4.761 7.761 -9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.947 6.976 -8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.542 8.575 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.349 7.117 -7.308 1.00 0.00 H new ATOM 431 N THR A 31 3.430 5.524 -9.531 1.00 0.00 N ATOM 432 CA THR A 31 2.996 4.100 -9.535 1.00 0.00 C ATOM 433 C THR A 31 3.894 3.270 -10.451 1.00 0.00 C ATOM 434 O THR A 31 4.654 3.790 -11.243 1.00 0.00 O ATOM 435 CB THR A 31 1.551 4.012 -10.028 1.00 0.00 C ATOM 436 OG1 THR A 31 1.407 4.791 -11.207 1.00 0.00 O ATOM 437 CG2 THR A 31 0.605 4.540 -8.949 1.00 0.00 C ATOM 0 H THR A 31 2.880 6.149 -10.121 1.00 0.00 H new ATOM 0 HA THR A 31 3.068 3.707 -8.521 1.00 0.00 H new ATOM 0 HB THR A 31 1.305 2.972 -10.244 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.482 4.734 -11.525 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.424 4.476 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.715 3.942 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.848 5.579 -8.729 1.00 0.00 H new ATOM 445 N SER A 32 3.802 1.972 -10.342 1.00 0.00 N ATOM 446 CA SER A 32 4.635 1.079 -11.194 1.00 0.00 C ATOM 447 C SER A 32 4.161 -0.363 -11.008 1.00 0.00 C ATOM 448 O SER A 32 4.927 -1.243 -10.671 1.00 0.00 O ATOM 449 CB SER A 32 6.101 1.192 -10.779 1.00 0.00 C ATOM 450 OG SER A 32 6.890 1.515 -11.917 1.00 0.00 O ATOM 0 H SER A 32 3.180 1.489 -9.693 1.00 0.00 H new ATOM 0 HA SER A 32 4.537 1.371 -12.240 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.216 1.959 -10.013 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.440 0.253 -10.342 1.00 0.00 H new ATOM 0 HG SER A 32 7.831 1.590 -11.652 1.00 0.00 H new ATOM 456 N ALA A 33 2.899 -0.607 -11.220 1.00 0.00 N ATOM 457 CA ALA A 33 2.366 -1.987 -11.054 1.00 0.00 C ATOM 458 C ALA A 33 1.678 -2.432 -12.348 1.00 0.00 C ATOM 459 O ALA A 33 1.829 -1.818 -13.386 1.00 0.00 O ATOM 460 CB ALA A 33 1.354 -2.004 -9.906 1.00 0.00 C ATOM 0 H ALA A 33 2.212 0.092 -11.502 1.00 0.00 H new ATOM 0 HA ALA A 33 3.186 -2.669 -10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.962 -3.013 -9.782 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.844 -1.689 -8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.535 -1.322 -10.133 1.00 0.00 H new ATOM 466 N GLY A 34 0.924 -3.496 -12.295 1.00 0.00 N ATOM 467 CA GLY A 34 0.231 -3.980 -13.523 1.00 0.00 C ATOM 468 C GLY A 34 -1.197 -3.430 -13.564 1.00 0.00 C ATOM 469 O GLY A 34 -1.791 -3.300 -14.616 1.00 0.00 O ATOM 0 H GLY A 34 0.758 -4.051 -11.455 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.779 -3.662 -14.410 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.211 -5.070 -13.535 1.00 0.00 H new ATOM 473 N PHE A 35 -1.757 -3.107 -12.428 1.00 0.00 N ATOM 474 CA PHE A 35 -3.148 -2.569 -12.410 1.00 0.00 C ATOM 475 C PHE A 35 -3.118 -1.069 -12.709 1.00 0.00 C ATOM 476 O PHE A 35 -2.083 -0.503 -12.999 1.00 0.00 O ATOM 477 CB PHE A 35 -3.769 -2.805 -11.032 1.00 0.00 C ATOM 478 CG PHE A 35 -2.811 -2.340 -9.963 1.00 0.00 C ATOM 479 CD1 PHE A 35 -2.504 -0.978 -9.843 1.00 0.00 C ATOM 480 CD2 PHE A 35 -2.228 -3.268 -9.093 1.00 0.00 C ATOM 481 CE1 PHE A 35 -1.615 -0.547 -8.853 1.00 0.00 C ATOM 482 CE2 PHE A 35 -1.338 -2.835 -8.102 1.00 0.00 C ATOM 483 CZ PHE A 35 -1.032 -1.474 -7.982 1.00 0.00 C ATOM 0 H PHE A 35 -1.312 -3.192 -11.514 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.745 -3.078 -13.167 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.713 -2.266 -10.949 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.994 -3.863 -10.899 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.954 -0.262 -10.515 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.464 -4.318 -9.186 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.378 0.503 -8.761 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.888 -3.551 -7.430 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.346 -1.140 -7.217 1.00 0.00 H new ATOM 493 N ALA A 36 -4.250 -0.418 -12.642 1.00 0.00 N ATOM 494 CA ALA A 36 -4.287 1.045 -12.926 1.00 0.00 C ATOM 495 C ALA A 36 -5.267 1.730 -11.970 1.00 0.00 C ATOM 496 O ALA A 36 -6.456 1.771 -12.213 1.00 0.00 O ATOM 497 CB ALA A 36 -4.746 1.268 -14.370 1.00 0.00 C ATOM 0 H ALA A 36 -5.149 -0.837 -12.403 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.292 1.467 -12.787 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.774 2.337 -14.582 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.049 0.781 -15.053 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.741 0.845 -14.505 1.00 0.00 H new ATOM 503 N VAL A 37 -4.778 2.274 -10.887 1.00 0.00 N ATOM 504 CA VAL A 37 -5.683 2.960 -9.921 1.00 0.00 C ATOM 505 C VAL A 37 -5.916 4.400 -10.379 1.00 0.00 C ATOM 506 O VAL A 37 -5.494 5.343 -9.739 1.00 0.00 O ATOM 507 CB VAL A 37 -5.037 2.963 -8.534 1.00 0.00 C ATOM 508 CG1 VAL A 37 -6.076 3.357 -7.484 1.00 0.00 C ATOM 509 CG2 VAL A 37 -4.502 1.564 -8.222 1.00 0.00 C ATOM 0 H VAL A 37 -3.791 2.273 -10.630 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.637 2.434 -9.876 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.217 3.681 -8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.613 3.358 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.459 4.353 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.898 2.641 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.041 1.563 -7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.324 0.848 -8.240 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.760 1.283 -8.969 1.00 0.00 H new ATOM 519 N THR A 38 -6.580 4.576 -11.490 1.00 0.00 N ATOM 520 CA THR A 38 -6.834 5.952 -11.999 1.00 0.00 C ATOM 521 C THR A 38 -8.196 6.522 -11.524 1.00 0.00 C ATOM 522 O THR A 38 -8.330 7.727 -11.441 1.00 0.00 O ATOM 523 CB THR A 38 -6.768 5.948 -13.536 1.00 0.00 C ATOM 524 OG1 THR A 38 -6.383 7.238 -13.990 1.00 0.00 O ATOM 525 CG2 THR A 38 -8.129 5.585 -14.141 1.00 0.00 C ATOM 0 H THR A 38 -6.957 3.824 -12.067 1.00 0.00 H new ATOM 0 HA THR A 38 -6.061 6.603 -11.591 1.00 0.00 H new ATOM 0 HB THR A 38 -6.038 5.202 -13.851 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.338 7.240 -14.969 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.056 5.589 -15.229 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.425 4.593 -13.801 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.874 6.315 -13.824 1.00 0.00 H new ATOM 533 N PRO A 39 -9.180 5.684 -11.237 1.00 0.00 N ATOM 534 CA PRO A 39 -10.497 6.187 -10.800 1.00 0.00 C ATOM 535 C PRO A 39 -10.354 7.011 -9.516 1.00 0.00 C ATOM 536 O PRO A 39 -9.268 7.400 -9.135 1.00 0.00 O ATOM 537 CB PRO A 39 -11.348 4.934 -10.561 1.00 0.00 C ATOM 538 CG PRO A 39 -10.488 3.703 -10.937 1.00 0.00 C ATOM 539 CD PRO A 39 -9.087 4.210 -11.311 1.00 0.00 C ATOM 0 HA PRO A 39 -10.954 6.845 -11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.662 4.878 -9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.255 4.966 -11.165 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.432 3.006 -10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.936 3.164 -11.772 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.332 3.827 -10.624 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.803 3.882 -12.311 1.00 0.00 H new ATOM 547 N ALA A 40 -11.444 7.291 -8.855 1.00 0.00 N ATOM 548 CA ALA A 40 -11.370 8.104 -7.608 1.00 0.00 C ATOM 549 C ALA A 40 -11.065 7.204 -6.407 1.00 0.00 C ATOM 550 O ALA A 40 -11.700 7.298 -5.376 1.00 0.00 O ATOM 551 CB ALA A 40 -12.707 8.812 -7.384 1.00 0.00 C ATOM 0 H ALA A 40 -12.381 6.992 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.573 8.841 -7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.655 9.407 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.920 9.464 -8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.500 8.070 -7.288 1.00 0.00 H new ATOM 557 N GLN A 41 -10.097 6.337 -6.525 1.00 0.00 N ATOM 558 CA GLN A 41 -9.760 5.448 -5.380 1.00 0.00 C ATOM 559 C GLN A 41 -8.876 6.214 -4.394 1.00 0.00 C ATOM 560 O GLN A 41 -8.714 5.823 -3.255 1.00 0.00 O ATOM 561 CB GLN A 41 -9.011 4.216 -5.890 1.00 0.00 C ATOM 562 CG GLN A 41 -9.694 3.692 -7.155 1.00 0.00 C ATOM 563 CD GLN A 41 -11.112 3.227 -6.817 1.00 0.00 C ATOM 564 OE1 GLN A 41 -11.593 3.449 -5.724 1.00 0.00 O ATOM 565 NE2 GLN A 41 -11.808 2.587 -7.717 1.00 0.00 N ATOM 0 H GLN A 41 -9.528 6.207 -7.361 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.675 5.130 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.973 4.471 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.998 3.441 -5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.728 4.475 -7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.120 2.866 -7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.405 2.400 -8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.755 2.274 -7.502 1.00 0.00 H new ATOM 574 N GLY A 42 -8.303 7.306 -4.826 1.00 0.00 N ATOM 575 CA GLY A 42 -7.427 8.100 -3.917 1.00 0.00 C ATOM 576 C GLY A 42 -8.210 8.504 -2.666 1.00 0.00 C ATOM 577 O GLY A 42 -7.701 8.458 -1.564 1.00 0.00 O ATOM 0 H GLY A 42 -8.404 7.682 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.552 7.514 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.063 8.989 -4.432 1.00 0.00 H new ATOM 581 N GLN A 43 -9.443 8.902 -2.824 1.00 0.00 N ATOM 582 CA GLN A 43 -10.250 9.309 -1.639 1.00 0.00 C ATOM 583 C GLN A 43 -10.565 8.080 -0.784 1.00 0.00 C ATOM 584 O GLN A 43 -10.749 8.176 0.411 1.00 0.00 O ATOM 585 CB GLN A 43 -11.558 9.954 -2.106 1.00 0.00 C ATOM 586 CG GLN A 43 -11.731 11.311 -1.420 1.00 0.00 C ATOM 587 CD GLN A 43 -13.085 11.357 -0.708 1.00 0.00 C ATOM 588 OE1 GLN A 43 -13.679 10.331 -0.440 1.00 0.00 O ATOM 589 NE2 GLN A 43 -13.600 12.512 -0.387 1.00 0.00 N ATOM 0 H GLN A 43 -9.926 8.963 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.682 10.026 -1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.547 10.081 -3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.401 9.305 -1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.926 11.473 -0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.668 12.113 -2.156 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.101 13.373 -0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.501 12.554 0.089 1.00 0.00 H new ATOM 598 N THR A 44 -10.632 6.925 -1.386 1.00 0.00 N ATOM 599 CA THR A 44 -10.937 5.694 -0.602 1.00 0.00 C ATOM 600 C THR A 44 -9.818 5.445 0.416 1.00 0.00 C ATOM 601 O THR A 44 -10.007 4.771 1.408 1.00 0.00 O ATOM 602 CB THR A 44 -11.038 4.500 -1.555 1.00 0.00 C ATOM 603 OG1 THR A 44 -12.205 4.633 -2.355 1.00 0.00 O ATOM 604 CG2 THR A 44 -11.117 3.203 -0.749 1.00 0.00 C ATOM 0 H THR A 44 -10.489 6.780 -2.385 1.00 0.00 H new ATOM 0 HA THR A 44 -11.883 5.821 -0.075 1.00 0.00 H new ATOM 0 HB THR A 44 -10.157 4.472 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.271 3.870 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.189 2.355 -1.430 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.222 3.101 -0.135 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.997 3.227 -0.106 1.00 0.00 H new ATOM 612 N LEU A 45 -8.653 5.978 0.171 1.00 0.00 N ATOM 613 CA LEU A 45 -7.519 5.765 1.115 1.00 0.00 C ATOM 614 C LEU A 45 -7.602 6.760 2.279 1.00 0.00 C ATOM 615 O LEU A 45 -7.391 6.407 3.422 1.00 0.00 O ATOM 616 CB LEU A 45 -6.198 5.967 0.368 1.00 0.00 C ATOM 617 CG LEU A 45 -5.666 4.617 -0.120 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.105 3.829 1.065 1.00 0.00 C ATOM 619 CD2 LEU A 45 -6.802 3.822 -0.770 1.00 0.00 C ATOM 0 H LEU A 45 -8.437 6.553 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.572 4.751 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.347 6.637 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.467 6.440 1.024 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.876 4.784 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.727 2.868 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.294 4.393 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.894 3.664 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.422 2.861 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.594 3.656 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.200 4.382 -1.616 1.00 0.00 H new ATOM 631 N ALA A 46 -7.897 8.002 2.001 1.00 0.00 N ATOM 632 CA ALA A 46 -7.975 9.012 3.097 1.00 0.00 C ATOM 633 C ALA A 46 -9.233 8.777 3.933 1.00 0.00 C ATOM 634 O ALA A 46 -9.172 8.626 5.137 1.00 0.00 O ATOM 635 CB ALA A 46 -8.024 10.417 2.492 1.00 0.00 C ATOM 0 H ALA A 46 -8.087 8.360 1.065 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.096 8.916 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.081 11.156 3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.124 10.590 1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.901 10.507 1.852 1.00 0.00 H new ATOM 641 N SER A 47 -10.374 8.749 3.306 1.00 0.00 N ATOM 642 CA SER A 47 -11.634 8.530 4.067 1.00 0.00 C ATOM 643 C SER A 47 -11.517 7.238 4.877 1.00 0.00 C ATOM 644 O SER A 47 -12.112 7.096 5.926 1.00 0.00 O ATOM 645 CB SER A 47 -12.806 8.420 3.090 1.00 0.00 C ATOM 646 OG SER A 47 -13.358 9.713 2.874 1.00 0.00 O ATOM 0 H SER A 47 -10.489 8.868 2.300 1.00 0.00 H new ATOM 0 HA SER A 47 -11.805 9.368 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.469 7.993 2.145 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.566 7.749 3.490 1.00 0.00 H new ATOM 0 HG SER A 47 -14.108 9.648 2.247 1.00 0.00 H new ATOM 652 N ALA A 48 -10.752 6.296 4.398 1.00 0.00 N ATOM 653 CA ALA A 48 -10.592 5.015 5.142 1.00 0.00 C ATOM 654 C ALA A 48 -9.955 5.289 6.508 1.00 0.00 C ATOM 655 O ALA A 48 -10.313 4.689 7.501 1.00 0.00 O ATOM 656 CB ALA A 48 -9.695 4.070 4.340 1.00 0.00 C ATOM 0 H ALA A 48 -10.231 6.358 3.523 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.570 4.555 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.577 3.132 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.150 3.873 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.718 4.531 4.195 1.00 0.00 H new ATOM 662 N PHE A 49 -9.012 6.191 6.564 1.00 0.00 N ATOM 663 CA PHE A 49 -8.350 6.500 7.865 1.00 0.00 C ATOM 664 C PHE A 49 -9.408 6.841 8.919 1.00 0.00 C ATOM 665 O PHE A 49 -9.161 6.757 10.106 1.00 0.00 O ATOM 666 CB PHE A 49 -7.413 7.696 7.692 1.00 0.00 C ATOM 667 CG PHE A 49 -6.408 7.403 6.603 1.00 0.00 C ATOM 668 CD1 PHE A 49 -6.014 6.084 6.347 1.00 0.00 C ATOM 669 CD2 PHE A 49 -5.868 8.453 5.850 1.00 0.00 C ATOM 670 CE1 PHE A 49 -5.082 5.816 5.338 1.00 0.00 C ATOM 671 CE2 PHE A 49 -4.936 8.185 4.841 1.00 0.00 C ATOM 672 CZ PHE A 49 -4.542 6.865 4.586 1.00 0.00 C ATOM 0 H PHE A 49 -8.671 6.727 5.766 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.780 5.629 8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.988 8.587 7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.897 7.905 8.629 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.429 5.274 6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.171 9.470 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.779 4.798 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.521 8.995 4.260 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.821 6.657 3.809 1.00 0.00 H new ATOM 682 N ASN A 50 -10.581 7.230 8.501 1.00 0.00 N ATOM 683 CA ASN A 50 -11.645 7.578 9.486 1.00 0.00 C ATOM 684 C ASN A 50 -12.308 6.297 9.997 1.00 0.00 C ATOM 685 O ASN A 50 -12.311 6.019 11.181 1.00 0.00 O ATOM 686 CB ASN A 50 -12.693 8.469 8.815 1.00 0.00 C ATOM 687 CG ASN A 50 -12.446 9.929 9.203 1.00 0.00 C ATOM 688 OD1 ASN A 50 -11.773 10.652 8.496 1.00 0.00 O ATOM 689 ND2 ASN A 50 -12.964 10.395 10.307 1.00 0.00 N ATOM 0 H ASN A 50 -10.849 7.322 7.521 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.201 8.114 10.325 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.642 8.356 7.732 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.694 8.165 9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.804 11.366 10.576 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.529 9.788 10.901 1.00 0.00 H new ATOM 696 N ASN A 51 -12.867 5.512 9.116 1.00 0.00 N ATOM 697 CA ASN A 51 -13.527 4.249 9.554 1.00 0.00 C ATOM 698 C ASN A 51 -12.963 3.073 8.753 1.00 0.00 C ATOM 699 O ASN A 51 -12.841 3.133 7.545 1.00 0.00 O ATOM 700 CB ASN A 51 -15.035 4.352 9.313 1.00 0.00 C ATOM 701 CG ASN A 51 -15.716 4.902 10.567 1.00 0.00 C ATOM 702 OD1 ASN A 51 -15.637 6.081 10.851 1.00 0.00 O ATOM 703 ND2 ASN A 51 -16.390 4.091 11.336 1.00 0.00 N ATOM 0 H ASN A 51 -12.895 5.691 8.112 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.337 4.090 10.616 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.234 5.004 8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.442 3.372 9.065 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.850 4.447 12.174 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -16.457 3.101 11.099 1.00 0.00 H new ATOM 710 N ALA A 52 -12.620 2.001 9.415 1.00 0.00 N ATOM 711 CA ALA A 52 -12.067 0.824 8.687 1.00 0.00 C ATOM 712 C ALA A 52 -13.064 -0.333 8.758 1.00 0.00 C ATOM 713 O ALA A 52 -12.691 -1.489 8.731 1.00 0.00 O ATOM 714 CB ALA A 52 -10.747 0.393 9.331 1.00 0.00 C ATOM 0 H ALA A 52 -12.699 1.890 10.426 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.892 1.095 7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.345 -0.468 8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.033 1.215 9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.921 0.124 10.373 1.00 0.00 H new ATOM 720 N ASP A 53 -14.330 -0.033 8.850 1.00 0.00 N ATOM 721 CA ASP A 53 -15.348 -1.117 8.926 1.00 0.00 C ATOM 722 C ASP A 53 -15.672 -1.654 7.524 1.00 0.00 C ATOM 723 O ASP A 53 -15.742 -2.852 7.336 1.00 0.00 O ATOM 724 CB ASP A 53 -16.626 -0.583 9.577 1.00 0.00 C ATOM 725 CG ASP A 53 -17.419 -1.752 10.165 1.00 0.00 C ATOM 726 OD1 ASP A 53 -17.019 -2.250 11.205 1.00 0.00 O ATOM 727 OD2 ASP A 53 -18.412 -2.130 9.565 1.00 0.00 O ATOM 0 H ASP A 53 -14.703 0.916 8.876 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.943 -1.930 9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.377 0.133 10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -17.229 -0.053 8.840 1.00 0.00 H new ATOM 732 N PRO A 54 -15.875 -0.765 6.577 1.00 0.00 N ATOM 733 CA PRO A 54 -16.205 -1.169 5.199 1.00 0.00 C ATOM 734 C PRO A 54 -15.017 -1.897 4.557 1.00 0.00 C ATOM 735 O PRO A 54 -15.115 -2.414 3.463 1.00 0.00 O ATOM 736 CB PRO A 54 -16.494 0.145 4.461 1.00 0.00 C ATOM 737 CG PRO A 54 -16.242 1.308 5.453 1.00 0.00 C ATOM 738 CD PRO A 54 -15.797 0.694 6.789 1.00 0.00 C ATOM 0 HA PRO A 54 -17.052 -1.855 5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.850 0.242 3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -17.523 0.164 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -15.476 1.981 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.148 1.900 5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -14.784 1.003 7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.446 1.011 7.606 1.00 0.00 H new ATOM 746 N ILE A 55 -13.897 -1.940 5.228 1.00 0.00 N ATOM 747 CA ILE A 55 -12.709 -2.633 4.649 1.00 0.00 C ATOM 748 C ILE A 55 -12.528 -3.998 5.322 1.00 0.00 C ATOM 749 O ILE A 55 -12.066 -4.942 4.711 1.00 0.00 O ATOM 750 CB ILE A 55 -11.437 -1.791 4.852 1.00 0.00 C ATOM 751 CG1 ILE A 55 -11.708 -0.618 5.805 1.00 0.00 C ATOM 752 CG2 ILE A 55 -10.967 -1.242 3.504 1.00 0.00 C ATOM 753 CD1 ILE A 55 -12.642 0.392 5.134 1.00 0.00 C ATOM 0 H ILE A 55 -13.753 -1.527 6.149 1.00 0.00 H new ATOM 0 HA ILE A 55 -12.875 -2.768 3.580 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.667 -2.428 5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.157 -0.984 6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.770 -0.134 6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.066 -0.646 3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.750 -2.070 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.750 -0.618 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -12.830 1.222 5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -12.177 0.769 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.585 -0.094 4.885 1.00 0.00 H new ATOM 765 N ARG A 56 -12.886 -4.116 6.575 1.00 0.00 N ATOM 766 CA ARG A 56 -12.726 -5.428 7.270 1.00 0.00 C ATOM 767 C ARG A 56 -13.756 -6.422 6.729 1.00 0.00 C ATOM 768 O ARG A 56 -13.549 -7.619 6.757 1.00 0.00 O ATOM 769 CB ARG A 56 -12.936 -5.246 8.777 1.00 0.00 C ATOM 770 CG ARG A 56 -14.226 -4.462 9.027 1.00 0.00 C ATOM 771 CD ARG A 56 -14.659 -4.633 10.486 1.00 0.00 C ATOM 772 NE ARG A 56 -13.581 -4.135 11.387 1.00 0.00 N ATOM 773 CZ ARG A 56 -13.837 -3.893 12.646 1.00 0.00 C ATOM 774 NH1 ARG A 56 -15.034 -4.097 13.125 1.00 0.00 N ATOM 775 NH2 ARG A 56 -12.891 -3.448 13.428 1.00 0.00 N ATOM 0 H ARG A 56 -13.280 -3.366 7.143 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.721 -5.809 7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.989 -6.218 9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.088 -4.717 9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.070 -3.406 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.013 -4.815 8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.583 -4.084 10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.866 -5.683 10.694 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.641 -3.983 11.020 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.774 -4.447 12.516 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.229 -3.907 14.108 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.954 -3.290 13.056 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.089 -3.259 14.411 1.00 0.00 H new ATOM 789 N ALA A 57 -14.865 -5.939 6.241 1.00 0.00 N ATOM 790 CA ALA A 57 -15.905 -6.862 5.702 1.00 0.00 C ATOM 791 C ALA A 57 -15.497 -7.346 4.309 1.00 0.00 C ATOM 792 O ALA A 57 -15.284 -8.522 4.089 1.00 0.00 O ATOM 793 CB ALA A 57 -17.241 -6.124 5.612 1.00 0.00 C ATOM 0 H ALA A 57 -15.097 -4.947 6.192 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.004 -7.720 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.003 -6.797 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.536 -5.783 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.138 -5.265 4.949 1.00 0.00 H new ATOM 799 N SER A 58 -15.391 -6.451 3.364 1.00 0.00 N ATOM 800 CA SER A 58 -15.002 -6.867 1.987 1.00 0.00 C ATOM 801 C SER A 58 -13.632 -6.277 1.644 1.00 0.00 C ATOM 802 O SER A 58 -12.850 -6.873 0.929 1.00 0.00 O ATOM 803 CB SER A 58 -16.040 -6.355 0.989 1.00 0.00 C ATOM 804 OG SER A 58 -16.845 -5.365 1.618 1.00 0.00 O ATOM 0 H SER A 58 -15.557 -5.452 3.486 1.00 0.00 H new ATOM 0 HA SER A 58 -14.953 -7.955 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.544 -5.935 0.114 1.00 0.00 H new ATOM 0 HB3 SER A 58 -16.662 -7.178 0.639 1.00 0.00 H new ATOM 0 HG SER A 58 -17.511 -5.032 0.981 1.00 0.00 H new ATOM 810 N GLY A 59 -13.334 -5.112 2.150 1.00 0.00 N ATOM 811 CA GLY A 59 -12.015 -4.486 1.854 1.00 0.00 C ATOM 812 C GLY A 59 -12.218 -3.247 0.978 1.00 0.00 C ATOM 813 O GLY A 59 -13.241 -2.594 1.037 1.00 0.00 O ATOM 0 H GLY A 59 -13.947 -4.567 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.516 -4.209 2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.368 -5.201 1.346 1.00 0.00 H new ATOM 817 N PHE A 60 -11.249 -2.919 0.167 1.00 0.00 N ATOM 818 CA PHE A 60 -11.384 -1.723 -0.713 1.00 0.00 C ATOM 819 C PHE A 60 -11.201 -2.143 -2.175 1.00 0.00 C ATOM 820 O PHE A 60 -10.751 -3.234 -2.463 1.00 0.00 O ATOM 821 CB PHE A 60 -10.315 -0.696 -0.341 1.00 0.00 C ATOM 822 CG PHE A 60 -8.952 -1.335 -0.442 1.00 0.00 C ATOM 823 CD1 PHE A 60 -8.374 -1.554 -1.698 1.00 0.00 C ATOM 824 CD2 PHE A 60 -8.267 -1.710 0.720 1.00 0.00 C ATOM 825 CE1 PHE A 60 -7.110 -2.147 -1.793 1.00 0.00 C ATOM 826 CE2 PHE A 60 -7.003 -2.302 0.625 1.00 0.00 C ATOM 827 CZ PHE A 60 -6.424 -2.521 -0.632 1.00 0.00 C ATOM 0 H PHE A 60 -10.370 -3.428 0.076 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.373 -1.283 -0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.375 0.166 -1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.483 -0.330 0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.904 -1.265 -2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.714 -1.542 1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.664 -2.316 -2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.473 -2.590 1.521 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.448 -2.978 -0.705 1.00 0.00 H new ATOM 837 N ASP A 61 -11.550 -1.288 -3.099 1.00 0.00 N ATOM 838 CA ASP A 61 -11.398 -1.646 -4.540 1.00 0.00 C ATOM 839 C ASP A 61 -10.607 -0.557 -5.267 1.00 0.00 C ATOM 840 O ASP A 61 -10.631 0.598 -4.893 1.00 0.00 O ATOM 841 CB ASP A 61 -12.781 -1.781 -5.178 1.00 0.00 C ATOM 842 CG ASP A 61 -13.638 -0.571 -4.801 1.00 0.00 C ATOM 843 OD1 ASP A 61 -13.371 0.502 -5.316 1.00 0.00 O ATOM 844 OD2 ASP A 61 -14.545 -0.738 -4.002 1.00 0.00 O ATOM 0 H ASP A 61 -11.933 -0.360 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.862 -2.592 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.688 -1.850 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.261 -2.699 -4.840 1.00 0.00 H new ATOM 849 N LEU A 62 -9.908 -0.919 -6.310 1.00 0.00 N ATOM 850 CA LEU A 62 -9.114 0.089 -7.071 1.00 0.00 C ATOM 851 C LEU A 62 -9.544 0.073 -8.542 1.00 0.00 C ATOM 852 O LEU A 62 -10.714 -0.058 -8.844 1.00 0.00 O ATOM 853 CB LEU A 62 -7.626 -0.255 -6.958 1.00 0.00 C ATOM 854 CG LEU A 62 -7.268 -0.503 -5.492 1.00 0.00 C ATOM 855 CD1 LEU A 62 -5.757 -0.710 -5.363 1.00 0.00 C ATOM 856 CD2 LEU A 62 -7.690 0.705 -4.654 1.00 0.00 C ATOM 0 H LEU A 62 -9.853 -1.872 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.288 1.084 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.401 -1.140 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.022 0.560 -7.358 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.788 -1.393 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.502 -0.887 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.455 -1.570 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.236 0.179 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.435 0.530 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.170 1.594 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.766 0.853 -4.745 1.00 0.00 H new ATOM 868 N ALA A 63 -8.605 0.217 -9.449 1.00 0.00 N ATOM 869 CA ALA A 63 -8.926 0.222 -10.913 1.00 0.00 C ATOM 870 C ALA A 63 -10.182 -0.603 -11.205 1.00 0.00 C ATOM 871 O ALA A 63 -11.221 -0.069 -11.538 1.00 0.00 O ATOM 872 CB ALA A 63 -7.750 -0.377 -11.686 1.00 0.00 C ATOM 0 H ALA A 63 -7.615 0.333 -9.233 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.105 1.252 -11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.977 -0.376 -12.752 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.855 0.218 -11.505 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.579 -1.400 -11.352 1.00 0.00 H new ATOM 878 N GLY A 64 -10.099 -1.900 -11.090 1.00 0.00 N ATOM 879 CA GLY A 64 -11.295 -2.745 -11.370 1.00 0.00 C ATOM 880 C GLY A 64 -11.155 -4.097 -10.668 1.00 0.00 C ATOM 881 O GLY A 64 -11.782 -5.068 -11.043 1.00 0.00 O ATOM 0 H GLY A 64 -9.259 -2.410 -10.816 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.197 -2.239 -11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.403 -2.893 -12.445 1.00 0.00 H new ATOM 885 N VAL A 65 -10.340 -4.171 -9.652 1.00 0.00 N ATOM 886 CA VAL A 65 -10.170 -5.466 -8.932 1.00 0.00 C ATOM 887 C VAL A 65 -10.607 -5.301 -7.476 1.00 0.00 C ATOM 888 O VAL A 65 -10.735 -4.201 -6.976 1.00 0.00 O ATOM 889 CB VAL A 65 -8.700 -5.893 -8.977 1.00 0.00 C ATOM 890 CG1 VAL A 65 -8.615 -7.418 -8.927 1.00 0.00 C ATOM 891 CG2 VAL A 65 -8.058 -5.390 -10.272 1.00 0.00 C ATOM 0 H VAL A 65 -9.786 -3.395 -9.290 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.782 -6.229 -9.413 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.172 -5.468 -8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.570 -7.725 -8.959 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.071 -7.778 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.144 -7.840 -9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.012 -5.695 -10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.584 -5.814 -11.127 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.120 -4.302 -10.310 1.00 0.00 H new ATOM 901 N HIS A 66 -10.834 -6.387 -6.789 1.00 0.00 N ATOM 902 CA HIS A 66 -11.260 -6.289 -5.364 1.00 0.00 C ATOM 903 C HIS A 66 -10.067 -6.595 -4.456 1.00 0.00 C ATOM 904 O HIS A 66 -9.134 -7.269 -4.847 1.00 0.00 O ATOM 905 CB HIS A 66 -12.376 -7.300 -5.092 1.00 0.00 C ATOM 906 CG HIS A 66 -13.556 -7.002 -5.977 1.00 0.00 C ATOM 907 ND1 HIS A 66 -14.591 -7.908 -6.156 1.00 0.00 N ATOM 908 CD2 HIS A 66 -13.881 -5.907 -6.738 1.00 0.00 C ATOM 909 CE1 HIS A 66 -15.481 -7.346 -6.994 1.00 0.00 C ATOM 910 NE2 HIS A 66 -15.097 -6.126 -7.380 1.00 0.00 N ATOM 0 H HIS A 66 -10.743 -7.336 -7.152 1.00 0.00 H new ATOM 0 HA HIS A 66 -11.625 -5.282 -5.163 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -12.016 -8.312 -5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -12.674 -7.255 -4.044 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.284 -5.011 -6.826 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -16.395 -7.823 -7.316 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -15.589 -5.492 -8.009 1.00 0.00 H new ATOM 918 N TYR A 67 -10.091 -6.110 -3.246 1.00 0.00 N ATOM 919 CA TYR A 67 -8.959 -6.375 -2.315 1.00 0.00 C ATOM 920 C TYR A 67 -9.506 -6.600 -0.904 1.00 0.00 C ATOM 921 O TYR A 67 -10.534 -6.067 -0.535 1.00 0.00 O ATOM 922 CB TYR A 67 -8.009 -5.176 -2.313 1.00 0.00 C ATOM 923 CG TYR A 67 -7.410 -5.006 -3.689 1.00 0.00 C ATOM 924 CD1 TYR A 67 -6.567 -5.993 -4.215 1.00 0.00 C ATOM 925 CD2 TYR A 67 -7.696 -3.859 -4.440 1.00 0.00 C ATOM 926 CE1 TYR A 67 -6.014 -5.835 -5.491 1.00 0.00 C ATOM 927 CE2 TYR A 67 -7.143 -3.701 -5.715 1.00 0.00 C ATOM 928 CZ TYR A 67 -6.300 -4.688 -6.240 1.00 0.00 C ATOM 929 OH TYR A 67 -5.755 -4.533 -7.498 1.00 0.00 O ATOM 0 H TYR A 67 -10.846 -5.542 -2.861 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.418 -7.263 -2.640 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.547 -4.273 -2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.219 -5.325 -1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.343 -6.877 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.344 -3.096 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.367 -6.598 -5.897 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.366 -2.818 -6.295 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.055 -3.683 -7.882 1.00 0.00 H new ATOM 939 N VAL A 68 -8.831 -7.387 -0.113 1.00 0.00 N ATOM 940 CA VAL A 68 -9.317 -7.647 1.271 1.00 0.00 C ATOM 941 C VAL A 68 -8.587 -6.731 2.256 1.00 0.00 C ATOM 942 O VAL A 68 -7.537 -6.196 1.961 1.00 0.00 O ATOM 943 CB VAL A 68 -9.043 -9.106 1.641 1.00 0.00 C ATOM 944 CG1 VAL A 68 -9.595 -9.393 3.038 1.00 0.00 C ATOM 945 CG2 VAL A 68 -9.725 -10.028 0.628 1.00 0.00 C ATOM 0 H VAL A 68 -7.964 -7.861 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.388 -7.450 1.319 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.968 -9.284 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.399 -10.433 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.110 -8.739 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.670 -9.213 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.529 -11.067 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.800 -9.847 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.332 -9.827 -0.369 1.00 0.00 H new ATOM 955 N THR A 69 -9.135 -6.553 3.426 1.00 0.00 N ATOM 956 CA THR A 69 -8.476 -5.678 4.437 1.00 0.00 C ATOM 957 C THR A 69 -8.743 -6.237 5.836 1.00 0.00 C ATOM 958 O THR A 69 -9.735 -5.920 6.462 1.00 0.00 O ATOM 959 CB THR A 69 -9.046 -4.262 4.339 1.00 0.00 C ATOM 960 OG1 THR A 69 -9.026 -3.836 2.983 1.00 0.00 O ATOM 961 CG2 THR A 69 -8.202 -3.310 5.188 1.00 0.00 C ATOM 0 H THR A 69 -10.013 -6.977 3.727 1.00 0.00 H new ATOM 0 HA THR A 69 -7.402 -5.649 4.250 1.00 0.00 H new ATOM 0 HB THR A 69 -10.073 -4.258 4.705 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.492 -3.018 2.905 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.609 -2.301 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.220 -3.637 6.228 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.174 -3.313 4.825 1.00 0.00 H new ATOM 969 N LEU A 70 -7.869 -7.071 6.330 1.00 0.00 N ATOM 970 CA LEU A 70 -8.079 -7.650 7.686 1.00 0.00 C ATOM 971 C LEU A 70 -7.062 -7.055 8.661 1.00 0.00 C ATOM 972 O LEU A 70 -6.713 -7.658 9.657 1.00 0.00 O ATOM 973 CB LEU A 70 -7.902 -9.169 7.624 1.00 0.00 C ATOM 974 CG LEU A 70 -8.710 -9.823 8.745 1.00 0.00 C ATOM 975 CD1 LEU A 70 -9.263 -11.164 8.260 1.00 0.00 C ATOM 976 CD2 LEU A 70 -7.803 -10.054 9.955 1.00 0.00 C ATOM 0 H LEU A 70 -7.020 -7.376 5.854 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.087 -7.415 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.233 -9.545 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.848 -9.427 7.723 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.536 -9.171 9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.839 -11.630 9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.907 -11.001 7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.437 -11.818 7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.377 -10.520 10.756 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.978 -10.707 9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.407 -9.099 10.301 1.00 0.00 H new ATOM 988 N ARG A 71 -6.584 -5.873 8.382 1.00 0.00 N ATOM 989 CA ARG A 71 -5.591 -5.236 9.291 1.00 0.00 C ATOM 990 C ARG A 71 -5.589 -3.722 9.062 1.00 0.00 C ATOM 991 O ARG A 71 -4.592 -3.143 8.681 1.00 0.00 O ATOM 992 CB ARG A 71 -4.200 -5.802 9.001 1.00 0.00 C ATOM 993 CG ARG A 71 -4.119 -7.237 9.525 1.00 0.00 C ATOM 994 CD ARG A 71 -2.656 -7.616 9.761 1.00 0.00 C ATOM 995 NE ARG A 71 -2.273 -8.728 8.846 1.00 0.00 N ATOM 996 CZ ARG A 71 -1.013 -9.018 8.655 1.00 0.00 C ATOM 997 NH1 ARG A 71 -0.082 -8.333 9.264 1.00 0.00 N ATOM 998 NH2 ARG A 71 -0.684 -9.995 7.857 1.00 0.00 N ATOM 0 H ARG A 71 -6.839 -5.321 7.563 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.857 -5.444 10.327 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.003 -5.782 7.929 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.437 -5.185 9.477 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.683 -7.328 10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.572 -7.922 8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.014 -6.752 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.511 -7.919 10.798 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.996 -9.265 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.338 -7.570 9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.901 -8.562 9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.410 -10.532 7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.299 -10.222 7.707 1.00 0.00 H new ATOM 1012 N ALA A 72 -6.703 -3.081 9.291 1.00 0.00 N ATOM 1013 CA ALA A 72 -6.773 -1.605 9.087 1.00 0.00 C ATOM 1014 C ALA A 72 -7.377 -0.948 10.330 1.00 0.00 C ATOM 1015 O ALA A 72 -8.495 -1.231 10.713 1.00 0.00 O ATOM 1016 CB ALA A 72 -7.651 -1.298 7.872 1.00 0.00 C ATOM 0 H ALA A 72 -7.569 -3.516 9.611 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.770 -1.214 8.918 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.702 -0.219 7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.223 -1.767 6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.655 -1.689 8.040 1.00 0.00 H new ATOM 1022 N ASP A 73 -6.646 -0.071 10.965 1.00 0.00 N ATOM 1023 CA ASP A 73 -7.179 0.602 12.183 1.00 0.00 C ATOM 1024 C ASP A 73 -6.053 1.367 12.877 1.00 0.00 C ATOM 1025 O ASP A 73 -6.099 2.574 13.011 1.00 0.00 O ATOM 1026 CB ASP A 73 -7.746 -0.449 13.140 1.00 0.00 C ATOM 1027 CG ASP A 73 -9.274 -0.444 13.058 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -9.850 0.625 13.172 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -9.841 -1.510 12.882 1.00 0.00 O ATOM 0 H ASP A 73 -5.703 0.208 10.692 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.968 1.297 11.897 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.361 -1.436 12.883 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.425 -0.238 14.160 1.00 0.00 H new ATOM 1034 N ASP A 74 -5.038 0.676 13.321 1.00 0.00 N ATOM 1035 CA ASP A 74 -3.911 1.367 14.006 1.00 0.00 C ATOM 1036 C ASP A 74 -3.340 2.444 13.081 1.00 0.00 C ATOM 1037 O ASP A 74 -3.692 3.602 13.174 1.00 0.00 O ATOM 1038 CB ASP A 74 -2.821 0.350 14.351 1.00 0.00 C ATOM 1039 CG ASP A 74 -2.704 0.226 15.871 1.00 0.00 C ATOM 1040 OD1 ASP A 74 -3.633 0.628 16.553 1.00 0.00 O ATOM 1041 OD2 ASP A 74 -1.687 -0.270 16.329 1.00 0.00 O ATOM 0 H ASP A 74 -4.942 -0.336 13.239 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.270 1.832 14.924 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.061 -0.619 13.914 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.868 0.664 13.926 1.00 0.00 H new ATOM 1046 N ARG A 75 -2.464 2.077 12.186 1.00 0.00 N ATOM 1047 CA ARG A 75 -1.887 3.095 11.261 1.00 0.00 C ATOM 1048 C ARG A 75 -1.555 2.455 9.907 1.00 0.00 C ATOM 1049 O ARG A 75 -1.672 3.083 8.874 1.00 0.00 O ATOM 1050 CB ARG A 75 -0.618 3.695 11.882 1.00 0.00 C ATOM 1051 CG ARG A 75 0.530 2.682 11.823 1.00 0.00 C ATOM 1052 CD ARG A 75 0.326 1.612 12.895 1.00 0.00 C ATOM 1053 NE ARG A 75 1.525 1.561 13.790 1.00 0.00 N ATOM 1054 CZ ARG A 75 2.737 1.501 13.298 1.00 0.00 C ATOM 1055 NH1 ARG A 75 2.934 1.299 12.021 1.00 0.00 N ATOM 1056 NH2 ARG A 75 3.761 1.590 14.101 1.00 0.00 N ATOM 0 H ARG A 75 -2.125 1.124 12.055 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.620 3.886 11.102 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.338 4.604 11.349 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.810 3.978 12.917 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.570 2.220 10.837 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.483 3.188 11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.567 1.834 13.479 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.167 0.640 12.427 1.00 0.00 H new ATOM 0 HE ARG A 75 1.395 1.573 14.802 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.138 1.186 11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.884 1.255 11.652 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.614 1.705 15.104 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.709 1.544 13.726 1.00 0.00 H new ATOM 1070 N SER A 76 -1.138 1.215 9.896 1.00 0.00 N ATOM 1071 CA SER A 76 -0.800 0.559 8.599 1.00 0.00 C ATOM 1072 C SER A 76 -1.988 -0.275 8.114 1.00 0.00 C ATOM 1073 O SER A 76 -2.884 -0.595 8.869 1.00 0.00 O ATOM 1074 CB SER A 76 0.414 -0.348 8.789 1.00 0.00 C ATOM 1075 OG SER A 76 1.553 0.449 9.085 1.00 0.00 O ATOM 0 H SER A 76 -1.018 0.632 10.724 1.00 0.00 H new ATOM 0 HA SER A 76 -0.572 1.325 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.231 -1.056 9.598 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.590 -0.934 7.887 1.00 0.00 H new ATOM 0 HG SER A 76 2.364 -0.094 8.997 1.00 0.00 H new ATOM 1081 N ILE A 77 -2.000 -0.631 6.856 1.00 0.00 N ATOM 1082 CA ILE A 77 -3.130 -1.446 6.321 1.00 0.00 C ATOM 1083 C ILE A 77 -2.618 -2.390 5.228 1.00 0.00 C ATOM 1084 O ILE A 77 -2.716 -2.099 4.051 1.00 0.00 O ATOM 1085 CB ILE A 77 -4.194 -0.518 5.723 1.00 0.00 C ATOM 1086 CG1 ILE A 77 -4.823 0.331 6.831 1.00 0.00 C ATOM 1087 CG2 ILE A 77 -5.282 -1.358 5.052 1.00 0.00 C ATOM 1088 CD1 ILE A 77 -4.228 1.740 6.796 1.00 0.00 C ATOM 0 H ILE A 77 -1.277 -0.393 6.177 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.563 -2.030 7.133 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.727 0.136 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.904 0.378 6.698 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.641 -0.128 7.803 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.039 -0.700 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.839 -1.961 4.260 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.744 -2.012 5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.676 2.344 7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.150 1.684 6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.433 2.198 5.828 1.00 0.00 H new ATOM 1100 N TYR A 78 -2.088 -3.526 5.599 1.00 0.00 N ATOM 1101 CA TYR A 78 -1.593 -4.484 4.568 1.00 0.00 C ATOM 1102 C TYR A 78 -2.718 -5.467 4.230 1.00 0.00 C ATOM 1103 O TYR A 78 -2.926 -6.447 4.916 1.00 0.00 O ATOM 1104 CB TYR A 78 -0.383 -5.262 5.102 1.00 0.00 C ATOM 1105 CG TYR A 78 0.456 -4.374 5.994 1.00 0.00 C ATOM 1106 CD1 TYR A 78 0.114 -4.216 7.342 1.00 0.00 C ATOM 1107 CD2 TYR A 78 1.581 -3.714 5.476 1.00 0.00 C ATOM 1108 CE1 TYR A 78 0.891 -3.401 8.172 1.00 0.00 C ATOM 1109 CE2 TYR A 78 2.360 -2.900 6.309 1.00 0.00 C ATOM 1110 CZ TYR A 78 2.014 -2.744 7.656 1.00 0.00 C ATOM 1111 OH TYR A 78 2.782 -1.943 8.476 1.00 0.00 O ATOM 0 H TYR A 78 -1.977 -3.830 6.566 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.291 -3.933 3.678 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.720 -6.136 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 78 0.219 -5.628 4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.751 -4.724 7.742 1.00 0.00 H new ATOM 0 HD2 TYR A 78 1.846 -3.833 4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.624 -3.279 9.211 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.227 -2.393 5.912 1.00 0.00 H new ATOM 0 HH TYR A 78 3.524 -1.563 7.960 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.454 -5.205 3.183 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.574 -6.117 2.809 1.00 0.00 C ATOM 1123 C GLY A 79 -4.026 -7.501 2.455 1.00 0.00 C ATOM 1124 O GLY A 79 -2.831 -7.715 2.405 1.00 0.00 O ATOM 0 H GLY A 79 -3.328 -4.399 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.280 -6.197 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.121 -5.706 1.961 1.00 0.00 H new ATOM 1128 N LYS A 80 -4.896 -8.444 2.209 1.00 0.00 N ATOM 1129 CA LYS A 80 -4.436 -9.817 1.857 1.00 0.00 C ATOM 1130 C LYS A 80 -5.457 -10.474 0.926 1.00 0.00 C ATOM 1131 O LYS A 80 -6.336 -11.194 1.361 1.00 0.00 O ATOM 1132 CB LYS A 80 -4.301 -10.649 3.133 1.00 0.00 C ATOM 1133 CG LYS A 80 -3.016 -11.473 3.072 1.00 0.00 C ATOM 1134 CD LYS A 80 -3.353 -12.956 3.241 1.00 0.00 C ATOM 1135 CE LYS A 80 -3.707 -13.556 1.881 1.00 0.00 C ATOM 1136 NZ LYS A 80 -2.865 -14.761 1.635 1.00 0.00 N ATOM 0 H LYS A 80 -5.908 -8.321 2.237 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.470 -9.760 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.285 -9.996 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.163 -11.307 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.512 -11.310 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.329 -11.154 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.505 -13.486 3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.189 -13.074 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.763 -13.825 1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.546 -12.820 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.106 -15.170 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.861 -14.490 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.040 -15.465 2.380 1.00 0.00 H new ATOM 1150 N LYS A 81 -5.352 -10.232 -0.352 1.00 0.00 N ATOM 1151 CA LYS A 81 -6.317 -10.842 -1.308 1.00 0.00 C ATOM 1152 C LYS A 81 -6.236 -12.368 -1.212 1.00 0.00 C ATOM 1153 O LYS A 81 -5.449 -12.911 -0.462 1.00 0.00 O ATOM 1154 CB LYS A 81 -5.973 -10.398 -2.733 1.00 0.00 C ATOM 1155 CG LYS A 81 -7.262 -10.150 -3.521 1.00 0.00 C ATOM 1156 CD LYS A 81 -7.110 -10.699 -4.942 1.00 0.00 C ATOM 1157 CE LYS A 81 -8.464 -10.664 -5.652 1.00 0.00 C ATOM 1158 NZ LYS A 81 -8.253 -10.671 -7.128 1.00 0.00 N ATOM 0 H LYS A 81 -4.639 -9.638 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.328 -10.517 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.371 -9.490 -2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.374 -11.162 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.103 -10.632 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.480 -9.083 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.382 -10.106 -5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.731 -11.721 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.064 -11.524 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.018 -9.773 -5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.174 -10.647 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.696 -9.837 -7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.741 -11.534 -7.401 1.00 0.00 H new ATOM 1172 N GLY A 82 -7.048 -13.063 -1.959 1.00 0.00 N ATOM 1173 CA GLY A 82 -7.020 -14.552 -1.905 1.00 0.00 C ATOM 1174 C GLY A 82 -5.586 -15.049 -2.101 1.00 0.00 C ATOM 1175 O GLY A 82 -5.122 -15.925 -1.398 1.00 0.00 O ATOM 0 H GLY A 82 -7.730 -12.665 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.407 -14.898 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.667 -14.966 -2.678 1.00 0.00 H new ATOM 1179 N SER A 83 -4.882 -14.504 -3.056 1.00 0.00 N ATOM 1180 CA SER A 83 -3.481 -14.958 -3.296 1.00 0.00 C ATOM 1181 C SER A 83 -2.533 -13.755 -3.361 1.00 0.00 C ATOM 1182 O SER A 83 -1.337 -13.893 -3.195 1.00 0.00 O ATOM 1183 CB SER A 83 -3.417 -15.725 -4.618 1.00 0.00 C ATOM 1184 OG SER A 83 -4.713 -15.766 -5.201 1.00 0.00 O ATOM 0 H SER A 83 -5.214 -13.767 -3.678 1.00 0.00 H new ATOM 0 HA SER A 83 -3.174 -15.605 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.715 -15.242 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.050 -16.737 -4.447 1.00 0.00 H new ATOM 0 HG SER A 83 -4.675 -16.255 -6.049 1.00 0.00 H new ATOM 1190 N ALA A 84 -3.045 -12.578 -3.607 1.00 0.00 N ATOM 1191 CA ALA A 84 -2.152 -11.385 -3.688 1.00 0.00 C ATOM 1192 C ALA A 84 -2.186 -10.619 -2.363 1.00 0.00 C ATOM 1193 O ALA A 84 -3.026 -10.852 -1.517 1.00 0.00 O ATOM 1194 CB ALA A 84 -2.629 -10.468 -4.815 1.00 0.00 C ATOM 0 H ALA A 84 -4.037 -12.392 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.132 -11.714 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.977 -9.596 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.600 -11.009 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.650 -10.145 -4.613 1.00 0.00 H new ATOM 1200 N GLY A 85 -1.274 -9.700 -2.182 1.00 0.00 N ATOM 1201 CA GLY A 85 -1.243 -8.909 -0.920 1.00 0.00 C ATOM 1202 C GLY A 85 -0.925 -7.450 -1.252 1.00 0.00 C ATOM 1203 O GLY A 85 -0.304 -7.153 -2.252 1.00 0.00 O ATOM 0 H GLY A 85 -0.547 -9.464 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.204 -8.978 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.492 -9.313 -0.241 1.00 0.00 H new ATOM 1207 N VAL A 86 -1.351 -6.534 -0.425 1.00 0.00 N ATOM 1208 CA VAL A 86 -1.073 -5.098 -0.706 1.00 0.00 C ATOM 1209 C VAL A 86 -0.628 -4.394 0.578 1.00 0.00 C ATOM 1210 O VAL A 86 -1.244 -4.525 1.618 1.00 0.00 O ATOM 1211 CB VAL A 86 -2.343 -4.433 -1.237 1.00 0.00 C ATOM 1212 CG1 VAL A 86 -3.502 -4.698 -0.272 1.00 0.00 C ATOM 1213 CG2 VAL A 86 -2.115 -2.925 -1.359 1.00 0.00 C ATOM 0 H VAL A 86 -1.877 -6.717 0.429 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.279 -5.022 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.586 -4.845 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.407 -4.224 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.665 -5.772 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.260 -4.287 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.020 -2.450 -1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.871 -2.513 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.291 -2.736 -2.047 1.00 0.00 H new ATOM 1223 N ILE A 87 0.437 -3.642 0.510 1.00 0.00 N ATOM 1224 CA ILE A 87 0.930 -2.924 1.717 1.00 0.00 C ATOM 1225 C ILE A 87 0.637 -1.429 1.569 1.00 0.00 C ATOM 1226 O ILE A 87 1.201 -0.759 0.726 1.00 0.00 O ATOM 1227 CB ILE A 87 2.439 -3.137 1.850 1.00 0.00 C ATOM 1228 CG1 ILE A 87 2.722 -4.627 2.066 1.00 0.00 C ATOM 1229 CG2 ILE A 87 2.968 -2.338 3.043 1.00 0.00 C ATOM 1230 CD1 ILE A 87 4.231 -4.847 2.188 1.00 0.00 C ATOM 0 H ILE A 87 0.989 -3.494 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 87 0.428 -3.308 2.605 1.00 0.00 H new ATOM 0 HB ILE A 87 2.936 -2.798 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.219 -4.977 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.325 -5.208 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.043 -2.491 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.765 -1.278 2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.474 -2.675 3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.433 -5.907 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.722 -4.513 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.614 -4.278 3.035 1.00 0.00 H new ATOM 1242 N THR A 88 -0.241 -0.900 2.377 1.00 0.00 N ATOM 1243 CA THR A 88 -0.564 0.551 2.272 1.00 0.00 C ATOM 1244 C THR A 88 -0.245 1.245 3.596 1.00 0.00 C ATOM 1245 O THR A 88 -0.825 0.945 4.621 1.00 0.00 O ATOM 1246 CB THR A 88 -2.051 0.723 1.952 1.00 0.00 C ATOM 1247 OG1 THR A 88 -2.793 0.753 3.163 1.00 0.00 O ATOM 1248 CG2 THR A 88 -2.529 -0.444 1.087 1.00 0.00 C ATOM 0 H THR A 88 -0.747 -1.408 3.103 1.00 0.00 H new ATOM 0 HA THR A 88 0.033 0.996 1.476 1.00 0.00 H new ATOM 0 HB THR A 88 -2.200 1.657 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.241 0.404 3.894 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.588 -0.319 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.959 -0.465 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.381 -1.380 1.625 1.00 0.00 H new ATOM 1256 N VAL A 89 0.669 2.175 3.582 1.00 0.00 N ATOM 1257 CA VAL A 89 1.025 2.893 4.841 1.00 0.00 C ATOM 1258 C VAL A 89 1.351 4.355 4.522 1.00 0.00 C ATOM 1259 O VAL A 89 1.884 4.667 3.475 1.00 0.00 O ATOM 1260 CB VAL A 89 2.245 2.229 5.488 1.00 0.00 C ATOM 1261 CG1 VAL A 89 1.966 0.741 5.711 1.00 0.00 C ATOM 1262 CG2 VAL A 89 3.457 2.388 4.567 1.00 0.00 C ATOM 0 H VAL A 89 1.186 2.470 2.754 1.00 0.00 H new ATOM 0 HA VAL A 89 0.182 2.849 5.530 1.00 0.00 H new ATOM 0 HB VAL A 89 2.449 2.704 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.836 0.273 6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.103 0.627 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.760 0.262 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.326 1.916 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.250 1.913 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.659 3.448 4.411 1.00 0.00 H new ATOM 1272 N LYS A 90 1.040 5.253 5.418 1.00 0.00 N ATOM 1273 CA LYS A 90 1.335 6.694 5.172 1.00 0.00 C ATOM 1274 C LYS A 90 2.826 6.952 5.401 1.00 0.00 C ATOM 1275 O LYS A 90 3.467 6.275 6.180 1.00 0.00 O ATOM 1276 CB LYS A 90 0.516 7.555 6.136 1.00 0.00 C ATOM 1277 CG LYS A 90 -0.912 7.702 5.609 1.00 0.00 C ATOM 1278 CD LYS A 90 -1.880 7.851 6.787 1.00 0.00 C ATOM 1279 CE LYS A 90 -1.473 9.059 7.633 1.00 0.00 C ATOM 1280 NZ LYS A 90 -2.506 10.126 7.506 1.00 0.00 N ATOM 0 H LYS A 90 0.593 5.050 6.312 1.00 0.00 H new ATOM 0 HA LYS A 90 1.073 6.949 4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.504 7.098 7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.977 8.537 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.982 8.571 4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.182 6.831 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.899 7.977 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.870 6.947 7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.365 8.765 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.504 9.436 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.229 10.947 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.588 10.413 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.422 9.763 7.838 1.00 0.00 H new ATOM 1294 N THR A 91 3.386 7.924 4.732 1.00 0.00 N ATOM 1295 CA THR A 91 4.836 8.212 4.922 1.00 0.00 C ATOM 1296 C THR A 91 5.093 9.718 4.758 1.00 0.00 C ATOM 1297 O THR A 91 4.682 10.510 5.580 1.00 0.00 O ATOM 1298 CB THR A 91 5.648 7.420 3.895 1.00 0.00 C ATOM 1299 OG1 THR A 91 5.106 7.632 2.599 1.00 0.00 O ATOM 1300 CG2 THR A 91 5.592 5.933 4.241 1.00 0.00 C ATOM 0 H THR A 91 2.905 8.528 4.066 1.00 0.00 H new ATOM 0 HA THR A 91 5.141 7.914 5.925 1.00 0.00 H new ATOM 0 HB THR A 91 6.685 7.755 3.911 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.388 8.297 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.170 5.367 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.010 5.775 5.235 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.556 5.594 4.225 1.00 0.00 H new ATOM 1308 N SER A 92 5.772 10.126 3.716 1.00 0.00 N ATOM 1309 CA SER A 92 6.048 11.581 3.533 1.00 0.00 C ATOM 1310 C SER A 92 4.967 12.209 2.647 1.00 0.00 C ATOM 1311 O SER A 92 5.118 12.314 1.447 1.00 0.00 O ATOM 1312 CB SER A 92 7.416 11.754 2.871 1.00 0.00 C ATOM 1313 OG SER A 92 8.053 12.909 3.402 1.00 0.00 O ATOM 0 H SER A 92 6.145 9.517 2.988 1.00 0.00 H new ATOM 0 HA SER A 92 6.044 12.075 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.032 10.872 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.301 11.852 1.792 1.00 0.00 H new ATOM 0 HG SER A 92 8.931 13.021 2.981 1.00 0.00 H new ATOM 1319 N LYS A 93 3.878 12.629 3.234 1.00 0.00 N ATOM 1320 CA LYS A 93 2.786 13.253 2.431 1.00 0.00 C ATOM 1321 C LYS A 93 2.432 12.342 1.260 1.00 0.00 C ATOM 1322 O LYS A 93 1.879 12.773 0.268 1.00 0.00 O ATOM 1323 CB LYS A 93 3.247 14.610 1.895 1.00 0.00 C ATOM 1324 CG LYS A 93 2.339 15.707 2.453 1.00 0.00 C ATOM 1325 CD LYS A 93 1.058 15.780 1.619 1.00 0.00 C ATOM 1326 CE LYS A 93 0.031 16.657 2.339 1.00 0.00 C ATOM 1327 NZ LYS A 93 -0.781 17.397 1.333 1.00 0.00 N ATOM 0 H LYS A 93 3.697 12.567 4.236 1.00 0.00 H new ATOM 0 HA LYS A 93 1.910 13.394 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.281 14.796 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.215 14.614 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.096 15.498 3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.855 16.667 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.276 16.191 0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.654 14.779 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.616 16.040 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.537 17.359 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.479 17.993 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.157 17.996 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.275 16.719 0.718 1.00 0.00 H new ATOM 1341 N SER A 94 2.748 11.084 1.367 1.00 0.00 N ATOM 1342 CA SER A 94 2.430 10.141 0.261 1.00 0.00 C ATOM 1343 C SER A 94 2.364 8.717 0.812 1.00 0.00 C ATOM 1344 O SER A 94 3.064 8.365 1.741 1.00 0.00 O ATOM 1345 CB SER A 94 3.516 10.225 -0.811 1.00 0.00 C ATOM 1346 OG SER A 94 3.011 9.709 -2.035 1.00 0.00 O ATOM 0 H SER A 94 3.213 10.667 2.173 1.00 0.00 H new ATOM 0 HA SER A 94 1.468 10.406 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.833 11.259 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.394 9.659 -0.500 1.00 0.00 H new ATOM 0 HG SER A 94 3.194 10.345 -2.758 1.00 0.00 H new ATOM 1352 N ILE A 95 1.527 7.898 0.246 1.00 0.00 N ATOM 1353 CA ILE A 95 1.411 6.498 0.730 1.00 0.00 C ATOM 1354 C ILE A 95 2.012 5.558 -0.313 1.00 0.00 C ATOM 1355 O ILE A 95 2.046 5.861 -1.489 1.00 0.00 O ATOM 1356 CB ILE A 95 -0.069 6.162 0.933 1.00 0.00 C ATOM 1357 CG1 ILE A 95 -0.726 7.265 1.764 1.00 0.00 C ATOM 1358 CG2 ILE A 95 -0.205 4.827 1.669 1.00 0.00 C ATOM 1359 CD1 ILE A 95 -2.139 6.835 2.164 1.00 0.00 C ATOM 0 H ILE A 95 0.916 8.139 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 95 1.944 6.382 1.674 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.557 6.087 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.131 7.467 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.766 8.191 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.261 4.595 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.265 4.038 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.284 4.896 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.605 7.623 2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.732 6.656 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.088 5.920 2.754 1.00 0.00 H new ATOM 1371 N LEU A 96 2.470 4.413 0.102 1.00 0.00 N ATOM 1372 CA LEU A 96 3.046 3.451 -0.875 1.00 0.00 C ATOM 1373 C LEU A 96 2.153 2.215 -0.914 1.00 0.00 C ATOM 1374 O LEU A 96 1.492 1.884 0.052 1.00 0.00 O ATOM 1375 CB LEU A 96 4.491 3.064 -0.501 1.00 0.00 C ATOM 1376 CG LEU A 96 4.653 2.880 1.013 1.00 0.00 C ATOM 1377 CD1 LEU A 96 4.570 4.236 1.718 1.00 0.00 C ATOM 1378 CD2 LEU A 96 3.564 1.944 1.542 1.00 0.00 C ATOM 0 H LEU A 96 2.471 4.102 1.073 1.00 0.00 H new ATOM 0 HA LEU A 96 3.086 3.918 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.765 2.141 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.177 3.836 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 96 5.629 2.439 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.686 4.095 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.363 4.887 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.602 4.693 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.684 1.817 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.584 2.373 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.647 0.975 1.051 1.00 0.00 H new ATOM 1390 N VAL A 97 2.102 1.545 -2.031 1.00 0.00 N ATOM 1391 CA VAL A 97 1.225 0.348 -2.134 1.00 0.00 C ATOM 1392 C VAL A 97 2.012 -0.834 -2.692 1.00 0.00 C ATOM 1393 O VAL A 97 1.874 -1.189 -3.844 1.00 0.00 O ATOM 1394 CB VAL A 97 0.059 0.665 -3.072 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -0.703 -0.620 -3.402 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -0.891 1.649 -2.387 1.00 0.00 C ATOM 0 H VAL A 97 2.628 1.774 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 97 0.851 0.090 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 97 0.447 1.104 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.533 -0.390 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.031 -1.327 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.089 -1.060 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.723 1.876 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.274 1.205 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.354 2.568 -2.150 1.00 0.00 H new ATOM 1406 N GLY A 98 2.822 -1.463 -1.887 1.00 0.00 N ATOM 1407 CA GLY A 98 3.584 -2.636 -2.392 1.00 0.00 C ATOM 1408 C GLY A 98 2.576 -3.676 -2.876 1.00 0.00 C ATOM 1409 O GLY A 98 1.514 -3.825 -2.308 1.00 0.00 O ATOM 0 H GLY A 98 2.988 -1.218 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.247 -2.339 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.212 -3.051 -1.604 1.00 0.00 H new ATOM 1413 N VAL A 99 2.873 -4.385 -3.924 1.00 0.00 N ATOM 1414 CA VAL A 99 1.892 -5.388 -4.420 1.00 0.00 C ATOM 1415 C VAL A 99 2.631 -6.628 -4.936 1.00 0.00 C ATOM 1416 O VAL A 99 3.412 -6.562 -5.866 1.00 0.00 O ATOM 1417 CB VAL A 99 1.039 -4.772 -5.544 1.00 0.00 C ATOM 1418 CG1 VAL A 99 -0.424 -5.170 -5.348 1.00 0.00 C ATOM 1419 CG2 VAL A 99 1.138 -3.242 -5.508 1.00 0.00 C ATOM 0 H VAL A 99 3.741 -4.317 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 99 1.236 -5.684 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 99 1.407 -5.139 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.029 -4.735 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.513 -6.256 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.775 -4.804 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.530 -2.819 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.777 -2.877 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.177 -2.941 -5.644 1.00 0.00 H new ATOM 1429 N TYR A 100 2.385 -7.759 -4.327 1.00 0.00 N ATOM 1430 CA TYR A 100 3.057 -9.021 -4.756 1.00 0.00 C ATOM 1431 C TYR A 100 1.999 -10.121 -4.896 1.00 0.00 C ATOM 1432 O TYR A 100 0.890 -9.980 -4.423 1.00 0.00 O ATOM 1433 CB TYR A 100 4.075 -9.437 -3.688 1.00 0.00 C ATOM 1434 CG TYR A 100 3.335 -9.893 -2.451 1.00 0.00 C ATOM 1435 CD1 TYR A 100 2.877 -11.213 -2.358 1.00 0.00 C ATOM 1436 CD2 TYR A 100 3.099 -8.995 -1.404 1.00 0.00 C ATOM 1437 CE1 TYR A 100 2.185 -11.635 -1.216 1.00 0.00 C ATOM 1438 CE2 TYR A 100 2.406 -9.416 -0.264 1.00 0.00 C ATOM 1439 CZ TYR A 100 1.949 -10.736 -0.170 1.00 0.00 C ATOM 1440 OH TYR A 100 1.266 -11.150 0.956 1.00 0.00 O ATOM 0 H TYR A 100 1.741 -7.863 -3.543 1.00 0.00 H new ATOM 0 HA TYR A 100 3.565 -8.868 -5.708 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.708 -10.240 -4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.731 -8.600 -3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.057 -11.906 -3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.452 -7.977 -1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.834 -12.654 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.224 -8.723 0.544 1.00 0.00 H new ATOM 0 HH TYR A 100 1.189 -10.403 1.585 1.00 0.00 H new ATOM 1450 N ASN A 101 2.326 -11.221 -5.524 1.00 0.00 N ATOM 1451 CA ASN A 101 1.315 -12.309 -5.659 1.00 0.00 C ATOM 1452 C ASN A 101 1.991 -13.674 -5.718 1.00 0.00 C ATOM 1453 O ASN A 101 2.943 -13.892 -6.442 1.00 0.00 O ATOM 1454 CB ASN A 101 0.494 -12.115 -6.924 1.00 0.00 C ATOM 1455 CG ASN A 101 -0.545 -13.234 -7.035 1.00 0.00 C ATOM 1456 OD1 ASN A 101 -1.369 -13.403 -6.158 1.00 0.00 O ATOM 1457 ND2 ASN A 101 -0.542 -14.009 -8.086 1.00 0.00 N ATOM 0 H ASN A 101 3.236 -11.411 -5.943 1.00 0.00 H new ATOM 0 HA ASN A 101 0.664 -12.266 -4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -0.002 -11.145 -6.903 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.146 -12.121 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -1.231 -14.756 -8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 101 0.150 -13.867 -8.822 1.00 0.00 H new ATOM 1464 N GLU A 102 1.475 -14.588 -4.960 1.00 0.00 N ATOM 1465 CA GLU A 102 2.022 -15.975 -4.926 1.00 0.00 C ATOM 1466 C GLU A 102 3.542 -15.928 -5.013 1.00 0.00 C ATOM 1467 O GLU A 102 4.176 -16.827 -5.528 1.00 0.00 O ATOM 1468 CB GLU A 102 1.464 -16.769 -6.109 1.00 0.00 C ATOM 1469 CG GLU A 102 0.368 -17.716 -5.616 1.00 0.00 C ATOM 1470 CD GLU A 102 0.831 -19.163 -5.780 1.00 0.00 C ATOM 1471 OE1 GLU A 102 1.485 -19.447 -6.770 1.00 0.00 O ATOM 1472 OE2 GLU A 102 0.524 -19.965 -4.913 1.00 0.00 O ATOM 0 H GLU A 102 0.676 -14.434 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 102 1.731 -16.458 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.061 -16.089 -6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.262 -17.337 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.141 -17.512 -4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.550 -17.551 -6.180 1.00 0.00 H new ATOM 1479 N LYS A 103 4.130 -14.880 -4.519 1.00 0.00 N ATOM 1480 CA LYS A 103 5.613 -14.769 -4.580 1.00 0.00 C ATOM 1481 C LYS A 103 6.161 -14.267 -3.245 1.00 0.00 C ATOM 1482 O LYS A 103 7.065 -14.846 -2.677 1.00 0.00 O ATOM 1483 CB LYS A 103 5.996 -13.788 -5.687 1.00 0.00 C ATOM 1484 CG LYS A 103 5.933 -14.500 -7.039 1.00 0.00 C ATOM 1485 CD LYS A 103 7.350 -14.673 -7.582 1.00 0.00 C ATOM 1486 CE LYS A 103 7.350 -15.725 -8.693 1.00 0.00 C ATOM 1487 NZ LYS A 103 6.597 -15.204 -9.867 1.00 0.00 N ATOM 0 H LYS A 103 3.651 -14.096 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 103 6.037 -15.751 -4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.319 -12.934 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.000 -13.401 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.451 -15.472 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.330 -13.923 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.721 -13.723 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.023 -14.977 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.373 -15.966 -8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 103 6.894 -16.648 -8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.667 -15.881 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 5.598 -15.075 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.999 -14.291 -10.160 1.00 0.00 H new ATOM 1501 N ILE A 104 5.631 -13.188 -2.742 1.00 0.00 N ATOM 1502 CA ILE A 104 6.137 -12.649 -1.449 1.00 0.00 C ATOM 1503 C ILE A 104 5.061 -12.795 -0.368 1.00 0.00 C ATOM 1504 O ILE A 104 4.422 -11.837 0.019 1.00 0.00 O ATOM 1505 CB ILE A 104 6.503 -11.172 -1.635 1.00 0.00 C ATOM 1506 CG1 ILE A 104 7.863 -11.080 -2.334 1.00 0.00 C ATOM 1507 CG2 ILE A 104 6.583 -10.475 -0.276 1.00 0.00 C ATOM 1508 CD1 ILE A 104 7.654 -10.878 -3.835 1.00 0.00 C ATOM 0 H ILE A 104 4.872 -12.657 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 104 7.020 -13.206 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 104 5.738 -10.684 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 104 8.440 -10.252 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.438 -11.989 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.844 -9.426 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.618 -10.544 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.345 -10.958 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 104 8.622 -10.813 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.094 -11.720 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 104 7.097 -9.957 -4.004 1.00 0.00 H new ATOM 1520 N GLN A 105 4.865 -13.985 0.130 1.00 0.00 N ATOM 1521 CA GLN A 105 3.839 -14.187 1.191 1.00 0.00 C ATOM 1522 C GLN A 105 4.124 -13.229 2.352 1.00 0.00 C ATOM 1523 O GLN A 105 5.236 -12.763 2.506 1.00 0.00 O ATOM 1524 CB GLN A 105 3.899 -15.631 1.692 1.00 0.00 C ATOM 1525 CG GLN A 105 3.976 -16.583 0.496 1.00 0.00 C ATOM 1526 CD GLN A 105 3.307 -17.911 0.858 1.00 0.00 C ATOM 1527 OE1 GLN A 105 3.785 -18.632 1.711 1.00 0.00 O ATOM 1528 NE2 GLN A 105 2.213 -18.266 0.241 1.00 0.00 N ATOM 0 H GLN A 105 5.370 -14.825 -0.152 1.00 0.00 H new ATOM 0 HA GLN A 105 2.847 -13.988 0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.768 -15.768 2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.018 -15.856 2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.483 -16.139 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.016 -16.751 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.812 -17.660 -0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.759 -19.149 0.475 1.00 0.00 H new ATOM 1537 N PRO A 106 3.109 -12.961 3.133 1.00 0.00 N ATOM 1538 CA PRO A 106 3.228 -12.054 4.287 1.00 0.00 C ATOM 1539 C PRO A 106 4.267 -12.584 5.277 1.00 0.00 C ATOM 1540 O PRO A 106 4.393 -13.774 5.484 1.00 0.00 O ATOM 1541 CB PRO A 106 1.834 -12.040 4.924 1.00 0.00 C ATOM 1542 CG PRO A 106 0.926 -12.976 4.087 1.00 0.00 C ATOM 1543 CD PRO A 106 1.768 -13.538 2.932 1.00 0.00 C ATOM 0 HA PRO A 106 3.554 -11.056 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.883 -12.379 5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.430 -11.028 4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.538 -13.785 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.066 -12.429 3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.798 -14.627 2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.355 -13.252 1.965 1.00 0.00 H new ATOM 1551 N GLY A 107 5.011 -11.707 5.891 1.00 0.00 N ATOM 1552 CA GLY A 107 6.043 -12.156 6.869 1.00 0.00 C ATOM 1553 C GLY A 107 7.411 -11.607 6.460 1.00 0.00 C ATOM 1554 O GLY A 107 8.310 -11.487 7.269 1.00 0.00 O ATOM 0 H GLY A 107 4.950 -10.698 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.785 -11.809 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.073 -13.245 6.907 1.00 0.00 H new ATOM 1558 N THR A 108 7.580 -11.274 5.209 1.00 0.00 N ATOM 1559 CA THR A 108 8.893 -10.735 4.754 1.00 0.00 C ATOM 1560 C THR A 108 8.720 -9.283 4.301 1.00 0.00 C ATOM 1561 O THR A 108 9.422 -8.396 4.747 1.00 0.00 O ATOM 1562 CB THR A 108 9.412 -11.578 3.586 1.00 0.00 C ATOM 1563 OG1 THR A 108 9.399 -12.952 3.951 1.00 0.00 O ATOM 1564 CG2 THR A 108 10.841 -11.155 3.243 1.00 0.00 C ATOM 0 H THR A 108 6.867 -11.352 4.484 1.00 0.00 H new ATOM 0 HA THR A 108 9.608 -10.775 5.576 1.00 0.00 H new ATOM 0 HB THR A 108 8.772 -11.426 2.717 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.729 -13.492 3.203 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.209 -11.756 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.851 -10.102 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.483 -11.305 4.111 1.00 0.00 H new ATOM 1572 N ALA A 109 7.792 -9.032 3.417 1.00 0.00 N ATOM 1573 CA ALA A 109 7.577 -7.637 2.937 1.00 0.00 C ATOM 1574 C ALA A 109 6.918 -6.811 4.044 1.00 0.00 C ATOM 1575 O ALA A 109 7.107 -5.615 4.135 1.00 0.00 O ATOM 1576 CB ALA A 109 6.666 -7.659 1.708 1.00 0.00 C ATOM 0 H ALA A 109 7.174 -9.732 3.007 1.00 0.00 H new ATOM 0 HA ALA A 109 8.536 -7.191 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.507 -6.640 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.134 -8.248 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.707 -8.105 1.974 1.00 0.00 H new ATOM 1582 N ALA A 110 6.146 -7.440 4.885 1.00 0.00 N ATOM 1583 CA ALA A 110 5.475 -6.689 5.982 1.00 0.00 C ATOM 1584 C ALA A 110 6.513 -6.271 7.027 1.00 0.00 C ATOM 1585 O ALA A 110 6.303 -5.346 7.786 1.00 0.00 O ATOM 1586 CB ALA A 110 4.420 -7.581 6.637 1.00 0.00 C ATOM 0 H ALA A 110 5.951 -8.441 4.860 1.00 0.00 H new ATOM 0 HA ALA A 110 4.996 -5.799 5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.928 -7.033 7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.680 -7.876 5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.899 -8.471 7.045 1.00 0.00 H new ATOM 1592 N ASN A 111 7.631 -6.944 7.074 1.00 0.00 N ATOM 1593 CA ASN A 111 8.677 -6.581 8.074 1.00 0.00 C ATOM 1594 C ASN A 111 9.629 -5.544 7.471 1.00 0.00 C ATOM 1595 O ASN A 111 9.897 -4.516 8.061 1.00 0.00 O ATOM 1596 CB ASN A 111 9.472 -7.829 8.462 1.00 0.00 C ATOM 1597 CG ASN A 111 10.061 -7.647 9.862 1.00 0.00 C ATOM 1598 OD1 ASN A 111 9.345 -7.669 10.844 1.00 0.00 O ATOM 1599 ND2 ASN A 111 11.346 -7.464 9.997 1.00 0.00 N ATOM 0 H ASN A 111 7.865 -7.728 6.465 1.00 0.00 H new ATOM 0 HA ASN A 111 8.196 -6.164 8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.825 -8.706 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.270 -8.003 7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.749 -7.340 10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.948 -7.445 9.174 1.00 0.00 H new ATOM 1606 N VAL A 112 10.144 -5.807 6.301 1.00 0.00 N ATOM 1607 CA VAL A 112 11.080 -4.839 5.661 1.00 0.00 C ATOM 1608 C VAL A 112 10.365 -3.506 5.431 1.00 0.00 C ATOM 1609 O VAL A 112 10.941 -2.446 5.584 1.00 0.00 O ATOM 1610 CB VAL A 112 11.557 -5.400 4.320 1.00 0.00 C ATOM 1611 CG1 VAL A 112 10.350 -5.660 3.416 1.00 0.00 C ATOM 1612 CG2 VAL A 112 12.486 -4.385 3.648 1.00 0.00 C ATOM 0 H VAL A 112 9.957 -6.651 5.760 1.00 0.00 H new ATOM 0 HA VAL A 112 11.937 -4.681 6.315 1.00 0.00 H new ATOM 0 HB VAL A 112 12.094 -6.334 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.690 -6.060 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 112 9.685 -6.379 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.813 -4.726 3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.828 -4.782 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.947 -3.452 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 112 13.346 -4.197 4.291 1.00 0.00 H new ATOM 1622 N VAL A 113 9.114 -3.547 5.060 1.00 0.00 N ATOM 1623 CA VAL A 113 8.368 -2.280 4.819 1.00 0.00 C ATOM 1624 C VAL A 113 8.069 -1.598 6.156 1.00 0.00 C ATOM 1625 O VAL A 113 7.999 -0.388 6.246 1.00 0.00 O ATOM 1626 CB VAL A 113 7.054 -2.592 4.097 1.00 0.00 C ATOM 1627 CG1 VAL A 113 6.150 -1.357 4.116 1.00 0.00 C ATOM 1628 CG2 VAL A 113 7.354 -2.982 2.646 1.00 0.00 C ATOM 0 H VAL A 113 8.577 -4.402 4.914 1.00 0.00 H new ATOM 0 HA VAL A 113 8.972 -1.615 4.202 1.00 0.00 H new ATOM 0 HB VAL A 113 6.549 -3.416 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.216 -1.582 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.938 -1.077 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 113 6.652 -0.531 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.421 -3.205 2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 113 7.859 -2.156 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.996 -3.863 2.631 1.00 0.00 H new ATOM 1638 N GLU A 114 7.891 -2.364 7.197 1.00 0.00 N ATOM 1639 CA GLU A 114 7.597 -1.765 8.524 1.00 0.00 C ATOM 1640 C GLU A 114 8.806 -0.964 9.011 1.00 0.00 C ATOM 1641 O GLU A 114 8.669 0.119 9.545 1.00 0.00 O ATOM 1642 CB GLU A 114 7.294 -2.882 9.523 1.00 0.00 C ATOM 1643 CG GLU A 114 6.244 -2.398 10.521 1.00 0.00 C ATOM 1644 CD GLU A 114 5.522 -3.600 11.131 1.00 0.00 C ATOM 1645 OE1 GLU A 114 5.292 -4.556 10.408 1.00 0.00 O ATOM 1646 OE2 GLU A 114 5.210 -3.545 12.309 1.00 0.00 O ATOM 0 H GLU A 114 7.937 -3.383 7.183 1.00 0.00 H new ATOM 0 HA GLU A 114 6.737 -1.101 8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.933 -3.766 8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.204 -3.172 10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.718 -1.809 11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.527 -1.745 10.022 1.00 0.00 H new ATOM 1653 N LYS A 115 9.990 -1.488 8.840 1.00 0.00 N ATOM 1654 CA LYS A 115 11.202 -0.756 9.304 1.00 0.00 C ATOM 1655 C LYS A 115 11.520 0.388 8.339 1.00 0.00 C ATOM 1656 O LYS A 115 11.948 1.450 8.746 1.00 0.00 O ATOM 1657 CB LYS A 115 12.393 -1.716 9.366 1.00 0.00 C ATOM 1658 CG LYS A 115 12.467 -2.528 8.072 1.00 0.00 C ATOM 1659 CD LYS A 115 13.850 -3.170 7.954 1.00 0.00 C ATOM 1660 CE LYS A 115 13.745 -4.669 8.241 1.00 0.00 C ATOM 1661 NZ LYS A 115 14.397 -4.971 9.546 1.00 0.00 N ATOM 0 H LYS A 115 10.169 -2.390 8.399 1.00 0.00 H new ATOM 0 HA LYS A 115 11.012 -0.348 10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.317 -1.156 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.290 -2.384 10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.695 -3.298 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.279 -1.883 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.253 -3.008 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.540 -2.702 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.699 -4.973 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.223 -5.237 7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.326 -5.990 9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.399 -4.695 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.922 -4.439 10.303 1.00 0.00 H new ATOM 1675 N LEU A 116 11.311 0.189 7.067 1.00 0.00 N ATOM 1676 CA LEU A 116 11.600 1.278 6.094 1.00 0.00 C ATOM 1677 C LEU A 116 10.737 2.490 6.441 1.00 0.00 C ATOM 1678 O LEU A 116 11.233 3.548 6.777 1.00 0.00 O ATOM 1679 CB LEU A 116 11.268 0.800 4.679 1.00 0.00 C ATOM 1680 CG LEU A 116 11.538 1.927 3.681 1.00 0.00 C ATOM 1681 CD1 LEU A 116 13.041 2.034 3.426 1.00 0.00 C ATOM 1682 CD2 LEU A 116 10.819 1.626 2.365 1.00 0.00 C ATOM 0 H LEU A 116 10.954 -0.676 6.661 1.00 0.00 H new ATOM 0 HA LEU A 116 12.655 1.549 6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.870 -0.073 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.223 0.494 4.623 1.00 0.00 H new ATOM 0 HG LEU A 116 11.171 2.868 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.233 2.837 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.555 2.249 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.409 1.093 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.011 2.429 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.186 0.684 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.747 1.550 2.545 1.00 0.00 H new ATOM 1694 N ALA A 117 9.445 2.341 6.371 1.00 0.00 N ATOM 1695 CA ALA A 117 8.547 3.477 6.705 1.00 0.00 C ATOM 1696 C ALA A 117 8.788 3.902 8.153 1.00 0.00 C ATOM 1697 O ALA A 117 8.483 5.010 8.538 1.00 0.00 O ATOM 1698 CB ALA A 117 7.091 3.041 6.540 1.00 0.00 C ATOM 0 H ALA A 117 8.972 1.480 6.096 1.00 0.00 H new ATOM 0 HA ALA A 117 8.754 4.314 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 117 6.432 3.874 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 117 6.918 2.732 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.883 2.205 7.208 1.00 0.00 H new ATOM 1704 N ASP A 118 9.334 3.031 8.958 1.00 0.00 N ATOM 1705 CA ASP A 118 9.591 3.391 10.382 1.00 0.00 C ATOM 1706 C ASP A 118 10.497 4.622 10.443 1.00 0.00 C ATOM 1707 O ASP A 118 10.193 5.598 11.101 1.00 0.00 O ATOM 1708 CB ASP A 118 10.272 2.217 11.090 1.00 0.00 C ATOM 1709 CG ASP A 118 9.628 2.012 12.461 1.00 0.00 C ATOM 1710 OD1 ASP A 118 8.543 1.455 12.507 1.00 0.00 O ATOM 1711 OD2 ASP A 118 10.228 2.419 13.443 1.00 0.00 O ATOM 0 H ASP A 118 9.613 2.087 8.692 1.00 0.00 H new ATOM 0 HA ASP A 118 8.646 3.614 10.877 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.176 1.311 10.491 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.338 2.414 11.202 1.00 0.00 H new ATOM 1716 N TYR A 119 11.608 4.587 9.759 1.00 0.00 N ATOM 1717 CA TYR A 119 12.531 5.756 9.772 1.00 0.00 C ATOM 1718 C TYR A 119 11.787 6.983 9.244 1.00 0.00 C ATOM 1719 O TYR A 119 12.072 8.105 9.612 1.00 0.00 O ATOM 1720 CB TYR A 119 13.735 5.455 8.875 1.00 0.00 C ATOM 1721 CG TYR A 119 14.663 6.647 8.837 1.00 0.00 C ATOM 1722 CD1 TYR A 119 14.918 7.378 10.005 1.00 0.00 C ATOM 1723 CD2 TYR A 119 15.273 7.017 7.632 1.00 0.00 C ATOM 1724 CE1 TYR A 119 15.784 8.478 9.966 1.00 0.00 C ATOM 1725 CE2 TYR A 119 16.138 8.116 7.594 1.00 0.00 C ATOM 1726 CZ TYR A 119 16.394 8.847 8.761 1.00 0.00 C ATOM 1727 OH TYR A 119 17.249 9.929 8.722 1.00 0.00 O ATOM 0 H TYR A 119 11.916 3.798 9.191 1.00 0.00 H new ATOM 0 HA TYR A 119 12.877 5.949 10.787 1.00 0.00 H new ATOM 0 HB2 TYR A 119 14.268 4.581 9.249 1.00 0.00 H new ATOM 0 HB3 TYR A 119 13.397 5.215 7.867 1.00 0.00 H new ATOM 0 HD1 TYR A 119 14.447 7.093 10.934 1.00 0.00 H new ATOM 0 HD2 TYR A 119 15.076 6.454 6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 119 15.981 9.042 10.866 1.00 0.00 H new ATOM 0 HE2 TYR A 119 16.608 8.401 6.665 1.00 0.00 H new ATOM 0 HH TYR A 119 17.586 10.047 7.809 1.00 0.00 H new ATOM 1737 N LEU A 120 10.832 6.775 8.379 1.00 0.00 N ATOM 1738 CA LEU A 120 10.062 7.920 7.818 1.00 0.00 C ATOM 1739 C LEU A 120 8.991 8.372 8.817 1.00 0.00 C ATOM 1740 O LEU A 120 8.532 9.496 8.777 1.00 0.00 O ATOM 1741 CB LEU A 120 9.387 7.485 6.518 1.00 0.00 C ATOM 1742 CG LEU A 120 10.174 8.034 5.330 1.00 0.00 C ATOM 1743 CD1 LEU A 120 9.663 7.393 4.040 1.00 0.00 C ATOM 1744 CD2 LEU A 120 9.983 9.550 5.255 1.00 0.00 C ATOM 0 H LEU A 120 10.551 5.857 8.036 1.00 0.00 H new ATOM 0 HA LEU A 120 10.743 8.749 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 120 9.340 6.397 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.360 7.850 6.488 1.00 0.00 H new ATOM 0 HG LEU A 120 11.232 7.804 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.225 7.785 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.794 6.312 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 120 8.605 7.624 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.543 9.946 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.925 9.778 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.345 10.008 6.175 1.00 0.00 H new ATOM 1756 N ILE A 121 8.587 7.509 9.709 1.00 0.00 N ATOM 1757 CA ILE A 121 7.545 7.900 10.701 1.00 0.00 C ATOM 1758 C ILE A 121 8.223 8.542 11.912 1.00 0.00 C ATOM 1759 O ILE A 121 7.592 9.200 12.715 1.00 0.00 O ATOM 1760 CB ILE A 121 6.758 6.655 11.136 1.00 0.00 C ATOM 1761 CG1 ILE A 121 5.731 6.301 10.056 1.00 0.00 C ATOM 1762 CG2 ILE A 121 6.026 6.930 12.452 1.00 0.00 C ATOM 1763 CD1 ILE A 121 6.083 4.948 9.436 1.00 0.00 C ATOM 0 H ILE A 121 8.932 6.553 9.794 1.00 0.00 H new ATOM 0 HA ILE A 121 6.855 8.615 10.252 1.00 0.00 H new ATOM 0 HB ILE A 121 7.452 5.826 11.276 1.00 0.00 H new ATOM 0 HG12 ILE A 121 4.731 6.265 10.489 1.00 0.00 H new ATOM 0 HG13 ILE A 121 5.717 7.073 9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.471 6.041 12.752 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.751 7.183 13.226 1.00 0.00 H new ATOM 0 HG23 ILE A 121 5.334 7.761 12.317 1.00 0.00 H new ATOM 0 HD11 ILE A 121 5.351 4.698 8.668 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.075 5.000 8.988 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.074 4.180 10.209 1.00 0.00 H new ATOM 1775 N GLY A 122 9.508 8.358 12.047 1.00 0.00 N ATOM 1776 CA GLY A 122 10.222 8.963 13.204 1.00 0.00 C ATOM 1777 C GLY A 122 9.880 10.451 13.282 1.00 0.00 C ATOM 1778 O GLY A 122 9.898 11.049 14.340 1.00 0.00 O ATOM 0 H GLY A 122 10.091 7.817 11.408 1.00 0.00 H new ATOM 0 HA2 GLY A 122 9.933 8.462 14.128 1.00 0.00 H new ATOM 0 HA3 GLY A 122 11.298 8.830 13.093 1.00 0.00 H new ATOM 1782 N GLN A 123 9.563 11.052 12.167 1.00 0.00 N ATOM 1783 CA GLN A 123 9.215 12.500 12.172 1.00 0.00 C ATOM 1784 C GLN A 123 7.753 12.669 12.590 1.00 0.00 C ATOM 1785 O GLN A 123 7.458 13.124 13.678 1.00 0.00 O ATOM 1786 CB GLN A 123 9.413 13.078 10.769 1.00 0.00 C ATOM 1787 CG GLN A 123 10.865 12.872 10.333 1.00 0.00 C ATOM 1788 CD GLN A 123 11.784 13.760 11.175 1.00 0.00 C ATOM 1789 OE1 GLN A 123 12.464 13.281 12.060 1.00 0.00 O ATOM 1790 NE2 GLN A 123 11.835 15.041 10.934 1.00 0.00 N ATOM 0 H GLN A 123 9.530 10.601 11.253 1.00 0.00 H new ATOM 0 HA GLN A 123 9.860 13.027 12.876 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.738 12.591 10.065 1.00 0.00 H new ATOM 0 HB3 GLN A 123 9.168 14.140 10.764 1.00 0.00 H new ATOM 0 HG2 GLN A 123 11.146 11.825 10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 123 10.976 13.115 9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 123 11.264 15.443 10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 123 12.446 15.640 11.489 1.00 0.00 H new ATOM 1799 N GLY A 124 6.834 12.305 11.737 1.00 0.00 N ATOM 1800 CA GLY A 124 5.393 12.445 12.089 1.00 0.00 C ATOM 1801 C GLY A 124 4.590 12.813 10.842 1.00 0.00 C ATOM 1802 O GLY A 124 4.462 13.969 10.492 1.00 0.00 O ATOM 0 H GLY A 124 7.019 11.917 10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.020 11.512 12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.268 13.213 12.853 1.00 0.00 H new ATOM 1806 N PHE A 125 4.041 11.839 10.168 1.00 0.00 N ATOM 1807 CA PHE A 125 3.241 12.138 8.948 1.00 0.00 C ATOM 1808 C PHE A 125 1.956 11.310 8.969 1.00 0.00 C ATOM 1809 O PHE A 125 1.747 10.602 9.942 1.00 0.00 O ATOM 1810 CB PHE A 125 4.053 11.786 7.700 1.00 0.00 C ATOM 1811 CG PHE A 125 5.207 12.750 7.560 1.00 0.00 C ATOM 1812 CD1 PHE A 125 4.987 14.126 7.698 1.00 0.00 C ATOM 1813 CD2 PHE A 125 6.494 12.270 7.291 1.00 0.00 C ATOM 1814 CE1 PHE A 125 6.054 15.021 7.566 1.00 0.00 C ATOM 1815 CE2 PHE A 125 7.561 13.167 7.159 1.00 0.00 C ATOM 1816 CZ PHE A 125 7.342 14.543 7.297 1.00 0.00 C ATOM 1817 OXT PHE A 125 1.201 11.399 8.015 1.00 0.00 O ATOM 0 H PHE A 125 4.112 10.851 10.410 1.00 0.00 H new ATOM 0 HA PHE A 125 2.993 13.199 8.929 1.00 0.00 H new ATOM 0 HB2 PHE A 125 4.426 10.764 7.772 1.00 0.00 H new ATOM 0 HB3 PHE A 125 3.418 11.832 6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.994 14.496 7.906 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.664 11.209 7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 125 5.884 16.082 7.672 1.00 0.00 H new ATOM 0 HE2 PHE A 125 8.554 12.797 6.951 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.165 15.235 7.196 1.00 0.00 H new