USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 642 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 54 ASN :FLIP amide:sc= 0.905 F(o=-0.53,f=1.7) USER MOD Set 1.2: A 57 HIS : no HD1:sc= 0.774 K(o=1.7,f=-1) USER MOD Set 2.1: A 43 ASN : amide:sc= -1.63 X(o=-2.1,f=-2) USER MOD Set 2.2: A 58 SER OG : rot -76:sc= 0.316 USER MOD Set 2.3: A 59 SER OG : rot 5:sc= 0.162 USER MOD Set 2.4: A 73 CYS SG : rot -51:sc= -0.908 USER MOD Set 3.1: A 7 SER OG : rot 125:sc= 1.05 USER MOD Set 3.2: A 23 CYS SG : rot -90:sc= -0.666 USER MOD Set 4.1: A 14 ASN : amide:sc= 1.17 K(o=3.3,f=0.75) USER MOD Set 4.2: A 18 THR OG1 : rot -75:sc= 2.13 USER MOD Single : A 2 SER OG : rot 36:sc= -1.4 USER MOD Single : A 3 TYR OH : rot -150:sc= -0.105 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 13 THR OG1 : rot 168:sc= -0.929! USER MOD Single : A 25 ASN : amide:sc= -1.49 K(o=-1.5,f=-12!) USER MOD Single : A 29 ASN : amide:sc= -0.0981 K(o=-0.098,f=-1.1) USER MOD Single : A 32 THR OG1 : rot -89:sc= 1.24 USER MOD Single : A 33 SER OG : rot 151:sc= 1.22 USER MOD Single : A 39 THR OG1 : rot -40:sc= 0.264 USER MOD Single : A 40 CYS SG : rot -156:sc= 0.243 USER MOD Single : A 45 ASN : amide:sc= -0.0411 K(o=-0.041,f=-1.2) USER MOD Single : A 52 MET CE :methyl -169:sc= -0.0396 (180deg=-0.103) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 56 SER OG : rot 150:sc= -0.11 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.0339 (180deg=-0.226) USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= 1.19 (180deg=0.876) USER MOD Single : A 72 THR OG1 : rot 12:sc= 0.824 USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 1.09 (180deg=0.58) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -3.9! C(o=-8.1!,f=-3.9!) USER MOD Single : A 91 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.987 K(o=-0.99,f=-6.1!) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 1.846 11.357 -1.812 1.00 0.00 N ATOM 17 CA SER A 2 2.291 10.202 -1.058 1.00 0.00 C ATOM 18 C SER A 2 3.807 10.180 -0.939 1.00 0.00 C ATOM 19 O SER A 2 4.483 11.071 -1.448 1.00 0.00 O ATOM 20 CB SER A 2 1.796 8.913 -1.712 1.00 0.00 C ATOM 21 OG SER A 2 0.387 8.915 -1.840 1.00 0.00 O ATOM 0 HA SER A 2 1.869 10.273 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.253 8.802 -2.695 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.109 8.056 -1.116 1.00 0.00 H new ATOM 0 HG SER A 2 0.078 9.824 -2.035 1.00 0.00 H new ATOM 26 N TYR A 3 4.332 9.177 -0.254 1.00 0.00 N ATOM 27 CA TYR A 3 5.774 9.021 -0.086 1.00 0.00 C ATOM 28 C TYR A 3 6.483 9.017 -1.441 1.00 0.00 C ATOM 29 O TYR A 3 7.583 9.548 -1.578 1.00 0.00 O ATOM 30 CB TYR A 3 6.074 7.715 0.659 1.00 0.00 C ATOM 31 CG TYR A 3 5.708 6.459 -0.114 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.381 6.127 -0.360 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.696 5.614 -0.603 1.00 0.00 C ATOM 34 CE1 TYR A 3 4.049 4.994 -1.069 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.371 4.476 -1.315 1.00 0.00 C ATOM 36 CZ TYR A 3 5.048 4.169 -1.545 1.00 0.00 C ATOM 37 OH TYR A 3 4.723 3.035 -2.249 1.00 0.00 O ATOM 0 H TYR A 3 3.778 8.451 0.200 1.00 0.00 H new ATOM 0 HA TYR A 3 6.145 9.865 0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.137 7.683 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.532 7.717 1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.596 6.769 0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.734 5.850 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.012 4.752 -1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.151 3.830 -1.690 1.00 0.00 H new ATOM 0 HH TYR A 3 5.410 2.352 -2.104 1.00 0.00 H new ATOM 46 N ALA A 4 5.813 8.451 -2.443 1.00 0.00 N ATOM 47 CA ALA A 4 6.347 8.341 -3.798 1.00 0.00 C ATOM 48 C ALA A 4 6.722 9.699 -4.389 1.00 0.00 C ATOM 49 O ALA A 4 7.498 9.773 -5.338 1.00 0.00 O ATOM 50 CB ALA A 4 5.332 7.639 -4.682 1.00 0.00 C ATOM 0 H ALA A 4 4.880 8.054 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 4 7.266 7.757 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.727 7.555 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.132 6.643 -4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.406 8.214 -4.701 1.00 0.00 H new ATOM 56 N ASP A 5 6.179 10.770 -3.821 1.00 0.00 N ATOM 57 CA ASP A 5 6.462 12.116 -4.287 1.00 0.00 C ATOM 58 C ASP A 5 7.891 12.521 -3.942 1.00 0.00 C ATOM 59 O ASP A 5 8.441 13.460 -4.516 1.00 0.00 O ATOM 60 CB ASP A 5 5.459 13.087 -3.673 1.00 0.00 C ATOM 61 CG ASP A 5 4.144 13.099 -4.421 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.250 12.291 -4.087 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.008 13.902 -5.366 1.00 0.00 O ATOM 0 H ASP A 5 5.535 10.727 -3.031 1.00 0.00 H new ATOM 0 HA ASP A 5 6.365 12.144 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.281 12.814 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.883 14.091 -3.670 1.00 0.00 H new ATOM 67 N SER A 6 8.480 11.806 -2.997 1.00 0.00 N ATOM 68 CA SER A 6 9.846 12.047 -2.574 1.00 0.00 C ATOM 69 C SER A 6 10.531 10.709 -2.324 1.00 0.00 C ATOM 70 O SER A 6 11.373 10.572 -1.435 1.00 0.00 O ATOM 71 CB SER A 6 9.870 12.911 -1.312 1.00 0.00 C ATOM 72 OG SER A 6 9.191 14.136 -1.531 1.00 0.00 O ATOM 0 H SER A 6 8.022 11.041 -2.502 1.00 0.00 H new ATOM 0 HA SER A 6 10.381 12.585 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.402 12.373 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.901 13.108 -1.020 1.00 0.00 H new ATOM 0 HG SER A 6 9.215 14.674 -0.713 1.00 0.00 H new ATOM 77 N SER A 7 10.144 9.721 -3.121 1.00 0.00 N ATOM 78 CA SER A 7 10.687 8.380 -3.010 1.00 0.00 C ATOM 79 C SER A 7 10.759 7.750 -4.399 1.00 0.00 C ATOM 80 O SER A 7 10.056 8.174 -5.315 1.00 0.00 O ATOM 81 CB SER A 7 9.805 7.536 -2.079 1.00 0.00 C ATOM 82 OG SER A 7 10.433 6.318 -1.721 1.00 0.00 O ATOM 0 H SER A 7 9.448 9.829 -3.858 1.00 0.00 H new ATOM 0 HA SER A 7 11.691 8.422 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.578 8.106 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.855 7.325 -2.571 1.00 0.00 H new ATOM 0 HG SER A 7 10.472 6.245 -0.745 1.00 0.00 H new ATOM 87 N ARG A 8 11.614 6.754 -4.555 1.00 0.00 N ATOM 88 CA ARG A 8 11.771 6.082 -5.837 1.00 0.00 C ATOM 89 C ARG A 8 11.868 4.577 -5.654 1.00 0.00 C ATOM 90 O ARG A 8 12.210 4.098 -4.570 1.00 0.00 O ATOM 91 CB ARG A 8 13.029 6.577 -6.549 1.00 0.00 C ATOM 92 CG ARG A 8 14.282 6.482 -5.693 1.00 0.00 C ATOM 93 CD ARG A 8 15.543 6.665 -6.515 1.00 0.00 C ATOM 94 NE ARG A 8 15.442 7.779 -7.448 1.00 0.00 N ATOM 95 CZ ARG A 8 16.493 8.405 -7.978 1.00 0.00 C ATOM 96 NH1 ARG A 8 17.728 8.043 -7.654 1.00 0.00 N ATOM 97 NH2 ARG A 8 16.302 9.404 -8.830 1.00 0.00 N ATOM 0 H ARG A 8 12.211 6.392 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 8 10.893 6.313 -6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.175 5.996 -7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.882 7.614 -6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.245 7.240 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.310 5.512 -5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.388 6.830 -5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.749 5.749 -7.069 1.00 0.00 H new ATOM 0 HE ARG A 8 14.510 8.100 -7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.879 7.280 -6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.526 8.528 -8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.354 9.690 -9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.103 9.886 -9.238 1.00 0.00 H new ATOM 108 N ASN A 9 11.567 3.849 -6.727 1.00 0.00 N ATOM 109 CA ASN A 9 11.641 2.390 -6.732 1.00 0.00 C ATOM 110 C ASN A 9 10.755 1.791 -5.645 1.00 0.00 C ATOM 111 O ASN A 9 11.237 1.119 -4.730 1.00 0.00 O ATOM 112 CB ASN A 9 13.098 1.946 -6.547 1.00 0.00 C ATOM 113 CG ASN A 9 14.009 2.495 -7.629 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.624 2.586 -8.795 1.00 0.00 O ATOM 115 ND2 ASN A 9 15.205 2.911 -7.243 1.00 0.00 N ATOM 0 H ASN A 9 11.266 4.252 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 9 11.276 2.027 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.455 2.277 -5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.147 0.857 -6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.845 3.325 -7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.487 2.818 -6.267 1.00 0.00 H new ATOM 121 N ALA A 10 9.458 2.046 -5.749 1.00 0.00 N ATOM 122 CA ALA A 10 8.500 1.541 -4.779 1.00 0.00 C ATOM 123 C ALA A 10 7.976 0.173 -5.194 1.00 0.00 C ATOM 124 O ALA A 10 7.361 0.021 -6.254 1.00 0.00 O ATOM 125 CB ALA A 10 7.353 2.522 -4.618 1.00 0.00 C ATOM 0 H ALA A 10 9.045 2.602 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 10 9.007 1.432 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.642 2.134 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.740 3.481 -4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.853 2.657 -5.577 1.00 0.00 H new ATOM 131 N VAL A 11 8.228 -0.819 -4.358 1.00 0.00 N ATOM 132 CA VAL A 11 7.791 -2.178 -4.626 1.00 0.00 C ATOM 133 C VAL A 11 6.923 -2.696 -3.488 1.00 0.00 C ATOM 134 O VAL A 11 6.828 -2.069 -2.431 1.00 0.00 O ATOM 135 CB VAL A 11 8.984 -3.137 -4.832 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.855 -2.677 -5.992 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.808 -3.267 -3.559 1.00 0.00 C ATOM 0 H VAL A 11 8.737 -0.707 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 11 7.210 -2.148 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 11 8.583 -4.121 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.689 -3.368 -6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.262 -2.654 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.240 -1.678 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.641 -3.948 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.193 -2.288 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.181 -3.658 -2.758 1.00 0.00 H new ATOM 147 N LEU A 12 6.311 -3.848 -3.713 1.00 0.00 N ATOM 148 CA LEU A 12 5.439 -4.470 -2.727 1.00 0.00 C ATOM 149 C LEU A 12 6.139 -5.656 -2.083 1.00 0.00 C ATOM 150 O LEU A 12 6.565 -6.581 -2.776 1.00 0.00 O ATOM 151 CB LEU A 12 4.137 -4.955 -3.384 1.00 0.00 C ATOM 152 CG LEU A 12 3.105 -3.880 -3.749 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.768 -3.023 -2.540 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.591 -3.020 -4.906 1.00 0.00 C ATOM 0 H LEU A 12 6.404 -4.377 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 12 5.202 -3.725 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.397 -5.499 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.661 -5.668 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 12 2.195 -4.386 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.035 -2.268 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.356 -3.652 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.672 -2.533 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.838 -2.268 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.522 -2.527 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.761 -3.649 -5.780 1.00 0.00 H new ATOM 165 N THR A 13 6.270 -5.624 -0.768 1.00 0.00 N ATOM 166 CA THR A 13 6.912 -6.705 -0.046 1.00 0.00 C ATOM 167 C THR A 13 5.923 -7.397 0.892 1.00 0.00 C ATOM 168 O THR A 13 4.842 -6.862 1.178 1.00 0.00 O ATOM 169 CB THR A 13 8.138 -6.198 0.752 1.00 0.00 C ATOM 170 OG1 THR A 13 7.776 -5.077 1.569 1.00 0.00 O ATOM 171 CG2 THR A 13 9.266 -5.797 -0.189 1.00 0.00 C ATOM 0 H THR A 13 5.939 -4.859 -0.179 1.00 0.00 H new ATOM 0 HA THR A 13 7.260 -7.429 -0.783 1.00 0.00 H new ATOM 0 HB THR A 13 8.482 -7.012 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.500 -4.885 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.117 -5.444 0.393 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.566 -6.659 -0.785 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.923 -5.001 -0.850 1.00 0.00 H new ATOM 179 N ASN A 14 6.278 -8.609 1.322 1.00 0.00 N ATOM 180 CA ASN A 14 5.448 -9.397 2.237 1.00 0.00 C ATOM 181 C ASN A 14 4.104 -9.766 1.618 1.00 0.00 C ATOM 182 O ASN A 14 3.110 -9.915 2.324 1.00 0.00 O ATOM 183 CB ASN A 14 5.221 -8.641 3.551 1.00 0.00 C ATOM 184 CG ASN A 14 6.436 -8.636 4.456 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.228 -9.580 4.461 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.590 -7.573 5.228 1.00 0.00 N ATOM 0 H ASN A 14 7.145 -9.071 1.048 1.00 0.00 H new ATOM 0 HA ASN A 14 5.990 -10.321 2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.939 -7.612 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.383 -9.092 4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.389 -7.513 5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.910 -6.814 5.192 1.00 0.00 H new ATOM 192 N GLY A 15 4.067 -9.901 0.300 1.00 0.00 N ATOM 193 CA GLY A 15 2.832 -10.263 -0.373 1.00 0.00 C ATOM 194 C GLY A 15 2.097 -9.059 -0.922 1.00 0.00 C ATOM 195 O GLY A 15 1.196 -9.195 -1.750 1.00 0.00 O ATOM 0 H GLY A 15 4.868 -9.767 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.054 -10.952 -1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.184 -10.793 0.325 1.00 0.00 H new ATOM 199 N GLY A 16 2.475 -7.877 -0.453 1.00 0.00 N ATOM 200 CA GLY A 16 1.843 -6.658 -0.920 1.00 0.00 C ATOM 201 C GLY A 16 1.228 -5.864 0.204 1.00 0.00 C ATOM 202 O GLY A 16 0.347 -5.037 -0.012 1.00 0.00 O ATOM 0 H GLY A 16 3.208 -7.740 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.581 -6.043 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.072 -6.908 -1.649 1.00 0.00 H new ATOM 206 N ARG A 17 1.693 -6.120 1.410 1.00 0.00 N ATOM 207 CA ARG A 17 1.192 -5.428 2.585 1.00 0.00 C ATOM 208 C ARG A 17 2.187 -4.378 3.050 1.00 0.00 C ATOM 209 O ARG A 17 1.824 -3.415 3.729 1.00 0.00 O ATOM 210 CB ARG A 17 0.937 -6.431 3.704 1.00 0.00 C ATOM 211 CG ARG A 17 2.120 -7.347 3.960 1.00 0.00 C ATOM 212 CD ARG A 17 1.854 -8.321 5.089 1.00 0.00 C ATOM 213 NE ARG A 17 1.815 -7.652 6.384 1.00 0.00 N ATOM 214 CZ ARG A 17 2.406 -8.105 7.484 1.00 0.00 C ATOM 215 NH1 ARG A 17 3.033 -9.276 7.478 1.00 0.00 N ATOM 216 NH2 ARG A 17 2.342 -7.395 8.602 1.00 0.00 N ATOM 0 H ARG A 17 2.422 -6.806 1.605 1.00 0.00 H new ATOM 0 HA ARG A 17 0.258 -4.930 2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.697 -5.892 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.065 -7.034 3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.352 -7.902 3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.998 -6.746 4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.906 -8.830 4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.630 -9.087 5.099 1.00 0.00 H new ATOM 0 HE ARG A 17 1.298 -6.775 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.063 -9.834 6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.484 -9.617 8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.841 -6.507 8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.794 -7.737 9.450 1.00 0.00 H new ATOM 227 N THR A 18 3.438 -4.567 2.672 1.00 0.00 N ATOM 228 CA THR A 18 4.495 -3.660 3.059 1.00 0.00 C ATOM 229 C THR A 18 5.052 -2.922 1.843 1.00 0.00 C ATOM 230 O THR A 18 5.223 -3.505 0.770 1.00 0.00 O ATOM 231 CB THR A 18 5.624 -4.435 3.757 1.00 0.00 C ATOM 232 OG1 THR A 18 5.059 -5.378 4.682 1.00 0.00 O ATOM 233 CG2 THR A 18 6.564 -3.493 4.495 1.00 0.00 C ATOM 0 H THR A 18 3.745 -5.348 2.093 1.00 0.00 H new ATOM 0 HA THR A 18 4.079 -2.926 3.749 1.00 0.00 H new ATOM 0 HB THR A 18 6.199 -4.962 2.996 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.735 -4.903 5.476 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.352 -4.070 4.979 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.009 -2.794 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.005 -2.939 5.249 1.00 0.00 H new ATOM 241 N LEU A 19 5.294 -1.632 2.010 1.00 0.00 N ATOM 242 CA LEU A 19 5.843 -0.805 0.946 1.00 0.00 C ATOM 243 C LEU A 19 7.333 -0.599 1.150 1.00 0.00 C ATOM 244 O LEU A 19 7.745 -0.072 2.181 1.00 0.00 O ATOM 245 CB LEU A 19 5.160 0.562 0.919 1.00 0.00 C ATOM 246 CG LEU A 19 3.694 0.561 0.498 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.133 1.971 0.558 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.541 -0.011 -0.901 1.00 0.00 C ATOM 0 H LEU A 19 5.117 -1.131 2.880 1.00 0.00 H new ATOM 0 HA LEU A 19 5.668 -1.320 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.233 1.004 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.713 1.211 0.240 1.00 0.00 H new ATOM 0 HG LEU A 19 3.134 -0.069 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.086 1.959 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.212 2.351 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.698 2.616 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.488 -0.004 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.111 0.595 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.914 -1.035 -0.918 1.00 0.00 H new ATOM 259 N ARG A 20 8.139 -1.020 0.188 1.00 0.00 N ATOM 260 CA ARG A 20 9.577 -0.835 0.294 1.00 0.00 C ATOM 261 C ARG A 20 10.071 0.048 -0.845 1.00 0.00 C ATOM 262 O ARG A 20 9.914 -0.295 -2.019 1.00 0.00 O ATOM 263 CB ARG A 20 10.315 -2.174 0.260 1.00 0.00 C ATOM 264 CG ARG A 20 11.784 -2.053 0.641 1.00 0.00 C ATOM 265 CD ARG A 20 12.499 -3.391 0.592 1.00 0.00 C ATOM 266 NE ARG A 20 12.748 -3.841 -0.775 1.00 0.00 N ATOM 267 CZ ARG A 20 13.128 -5.081 -1.087 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.256 -5.995 -0.135 1.00 0.00 N ATOM 269 NH2 ARG A 20 13.392 -5.402 -2.346 1.00 0.00 N ATOM 0 H ARG A 20 7.827 -1.486 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 20 9.784 -0.355 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.825 -2.870 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.239 -2.599 -0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.277 -1.354 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.864 -1.636 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.447 -3.313 1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.901 -4.138 1.114 1.00 0.00 H new ATOM 0 HE ARG A 20 12.624 -3.170 -1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.064 -5.750 0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.547 -6.943 -0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.305 -4.700 -3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.682 -6.351 -2.580 1.00 0.00 H new ATOM 280 N ALA A 21 10.671 1.177 -0.497 1.00 0.00 N ATOM 281 CA ALA A 21 11.175 2.110 -1.493 1.00 0.00 C ATOM 282 C ALA A 21 12.314 2.954 -0.937 1.00 0.00 C ATOM 283 O ALA A 21 12.554 2.972 0.275 1.00 0.00 O ATOM 284 CB ALA A 21 10.047 3.013 -1.966 1.00 0.00 C ATOM 0 H ALA A 21 10.821 1.469 0.469 1.00 0.00 H new ATOM 0 HA ALA A 21 11.562 1.533 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.428 3.711 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.256 2.406 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.647 3.570 -1.119 1.00 0.00 H new ATOM 290 N GLU A 22 13.011 3.651 -1.830 1.00 0.00 N ATOM 291 CA GLU A 22 14.087 4.544 -1.430 1.00 0.00 C ATOM 292 C GLU A 22 13.475 5.902 -1.181 1.00 0.00 C ATOM 293 O GLU A 22 13.078 6.588 -2.122 1.00 0.00 O ATOM 294 CB GLU A 22 15.174 4.660 -2.512 1.00 0.00 C ATOM 295 CG GLU A 22 16.274 3.615 -2.404 1.00 0.00 C ATOM 296 CD GLU A 22 15.771 2.199 -2.578 1.00 0.00 C ATOM 297 OE1 GLU A 22 15.560 1.780 -3.736 1.00 0.00 O ATOM 298 OE2 GLU A 22 15.596 1.496 -1.563 1.00 0.00 O ATOM 0 H GLU A 22 12.847 3.612 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 22 14.569 4.148 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.705 4.578 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.623 5.652 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.035 3.819 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.757 3.705 -1.431 1.00 0.00 H new ATOM 303 N CYS A 23 13.355 6.272 0.075 1.00 0.00 N ATOM 304 CA CYS A 23 12.754 7.539 0.429 1.00 0.00 C ATOM 305 C CYS A 23 13.820 8.591 0.653 1.00 0.00 C ATOM 306 O CYS A 23 14.850 8.320 1.262 1.00 0.00 O ATOM 307 CB CYS A 23 11.896 7.370 1.678 1.00 0.00 C ATOM 308 SG CYS A 23 10.581 6.142 1.494 1.00 0.00 S ATOM 0 H CYS A 23 13.666 5.713 0.869 1.00 0.00 H new ATOM 0 HA CYS A 23 12.120 7.872 -0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.536 7.082 2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.451 8.331 1.935 1.00 0.00 H new ATOM 0 HG CYS A 23 9.506 6.721 1.049 1.00 0.00 H new ATOM 313 N ARG A 24 13.588 9.777 0.124 1.00 0.00 N ATOM 314 CA ARG A 24 14.520 10.864 0.280 1.00 0.00 C ATOM 315 C ARG A 24 14.395 11.455 1.677 1.00 0.00 C ATOM 316 O ARG A 24 13.325 11.919 2.073 1.00 0.00 O ATOM 317 CB ARG A 24 14.243 11.920 -0.780 1.00 0.00 C ATOM 318 CG ARG A 24 15.491 12.620 -1.265 1.00 0.00 C ATOM 319 CD ARG A 24 15.216 13.386 -2.543 1.00 0.00 C ATOM 320 NE ARG A 24 14.395 14.575 -2.315 1.00 0.00 N ATOM 321 CZ ARG A 24 13.751 15.229 -3.281 1.00 0.00 C ATOM 322 NH1 ARG A 24 13.864 14.831 -4.544 1.00 0.00 N ATOM 323 NH2 ARG A 24 13.012 16.293 -2.993 1.00 0.00 N ATOM 0 H ARG A 24 12.756 10.007 -0.419 1.00 0.00 H new ATOM 0 HA ARG A 24 15.539 10.498 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.744 11.451 -1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.554 12.660 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.852 13.304 -0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.280 11.888 -1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.162 13.682 -2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.713 12.731 -3.255 1.00 0.00 H new ATOM 0 HE ARG A 24 14.310 14.924 -1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.444 14.024 -4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.371 15.332 -5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.935 16.614 -2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.521 16.790 -3.737 1.00 0.00 H new ATOM 334 N ASN A 25 15.480 11.404 2.434 1.00 0.00 N ATOM 335 CA ASN A 25 15.479 11.940 3.786 1.00 0.00 C ATOM 336 C ASN A 25 15.654 13.451 3.751 1.00 0.00 C ATOM 337 O ASN A 25 15.916 14.010 2.680 1.00 0.00 O ATOM 338 CB ASN A 25 16.553 11.282 4.674 1.00 0.00 C ATOM 339 CG ASN A 25 17.987 11.558 4.245 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.287 12.577 3.633 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.887 10.653 4.582 1.00 0.00 N ATOM 0 H ASN A 25 16.368 10.999 2.137 1.00 0.00 H new ATOM 0 HA ASN A 25 14.513 11.705 4.233 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.421 11.630 5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.390 10.204 4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.867 10.791 4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.603 9.816 5.091 1.00 0.00 H new ATOM 347 N ALA A 26 15.560 14.092 4.914 1.00 0.00 N ATOM 348 CA ALA A 26 15.671 15.547 5.018 1.00 0.00 C ATOM 349 C ALA A 26 16.978 16.077 4.433 1.00 0.00 C ATOM 350 O ALA A 26 17.023 17.187 3.894 1.00 0.00 O ATOM 351 CB ALA A 26 15.535 15.977 6.469 1.00 0.00 C ATOM 0 H ALA A 26 15.406 13.622 5.806 1.00 0.00 H new ATOM 0 HA ALA A 26 14.860 15.975 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.619 17.062 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.564 15.664 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.325 15.514 7.061 1.00 0.00 H new ATOM 357 N ASP A 27 18.031 15.279 4.507 1.00 0.00 N ATOM 358 CA ASP A 27 19.330 15.696 3.987 1.00 0.00 C ATOM 359 C ASP A 27 19.350 15.576 2.465 1.00 0.00 C ATOM 360 O ASP A 27 20.257 16.071 1.796 1.00 0.00 O ATOM 361 CB ASP A 27 20.451 14.852 4.607 1.00 0.00 C ATOM 362 CG ASP A 27 21.833 15.416 4.326 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.295 16.281 5.104 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.466 14.997 3.337 1.00 0.00 O ATOM 0 H ASP A 27 18.016 14.346 4.918 1.00 0.00 H new ATOM 0 HA ASP A 27 19.496 16.739 4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.300 14.791 5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.392 13.835 4.219 1.00 0.00 H new ATOM 368 N GLY A 28 18.321 14.934 1.927 1.00 0.00 N ATOM 369 CA GLY A 28 18.217 14.746 0.496 1.00 0.00 C ATOM 370 C GLY A 28 18.882 13.462 0.057 1.00 0.00 C ATOM 371 O GLY A 28 19.364 13.354 -1.071 1.00 0.00 O ATOM 0 H GLY A 28 17.550 14.537 2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.167 14.731 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.678 15.590 -0.017 1.00 0.00 H new ATOM 375 N ASN A 29 18.896 12.478 0.944 1.00 0.00 N ATOM 376 CA ASN A 29 19.540 11.198 0.643 1.00 0.00 C ATOM 377 C ASN A 29 18.510 10.088 0.491 1.00 0.00 C ATOM 378 O ASN A 29 17.367 10.237 0.907 1.00 0.00 O ATOM 379 CB ASN A 29 20.534 10.828 1.742 1.00 0.00 C ATOM 380 CG ASN A 29 21.624 9.907 1.243 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.468 8.688 1.213 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.743 10.491 0.872 1.00 0.00 N ATOM 0 H ASN A 29 18.474 12.535 1.871 1.00 0.00 H new ATOM 0 HA ASN A 29 20.073 11.309 -0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 29 20.984 11.736 2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.002 10.347 2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.527 9.928 0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.826 11.507 0.914 1.00 0.00 H new ATOM 388 N TRP A 30 18.925 8.974 -0.095 1.00 0.00 N ATOM 389 CA TRP A 30 18.035 7.844 -0.312 1.00 0.00 C ATOM 390 C TRP A 30 18.186 6.785 0.770 1.00 0.00 C ATOM 391 O TRP A 30 19.262 6.212 0.952 1.00 0.00 O ATOM 392 CB TRP A 30 18.303 7.205 -1.669 1.00 0.00 C ATOM 393 CG TRP A 30 17.989 8.107 -2.815 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.868 8.616 -3.721 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.702 8.614 -3.173 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.203 9.399 -4.627 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.874 9.415 -4.311 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.421 8.464 -2.644 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.812 10.062 -4.931 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.367 9.108 -3.261 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.570 9.898 -4.394 1.00 0.00 C ATOM 0 H TRP A 30 19.877 8.829 -0.430 1.00 0.00 H new ATOM 0 HA TRP A 30 17.017 8.233 -0.277 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.351 6.910 -1.724 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.710 6.295 -1.758 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.932 8.430 -3.725 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.631 9.891 -5.411 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.256 7.855 -1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.965 10.674 -5.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.370 8.999 -2.861 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.726 10.389 -4.854 1.00 0.00 H new ATOM 411 N VAL A 31 17.099 6.532 1.476 1.00 0.00 N ATOM 412 CA VAL A 31 17.076 5.526 2.521 1.00 0.00 C ATOM 413 C VAL A 31 15.963 4.517 2.248 1.00 0.00 C ATOM 414 O VAL A 31 14.848 4.893 1.886 1.00 0.00 O ATOM 415 CB VAL A 31 16.887 6.144 3.924 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.170 6.816 4.392 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.741 7.140 3.935 1.00 0.00 C ATOM 0 H VAL A 31 16.211 7.016 1.342 1.00 0.00 H new ATOM 0 HA VAL A 31 18.044 5.025 2.510 1.00 0.00 H new ATOM 0 HB VAL A 31 16.643 5.335 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.016 7.245 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.972 6.079 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.443 7.606 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.632 7.558 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.949 7.942 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.818 6.635 3.650 1.00 0.00 H new ATOM 427 N THR A 32 16.274 3.241 2.398 1.00 0.00 N ATOM 428 CA THR A 32 15.302 2.189 2.154 1.00 0.00 C ATOM 429 C THR A 32 14.391 2.011 3.366 1.00 0.00 C ATOM 430 O THR A 32 14.826 1.551 4.423 1.00 0.00 O ATOM 431 CB THR A 32 16.007 0.858 1.826 1.00 0.00 C ATOM 432 OG1 THR A 32 16.883 1.043 0.705 1.00 0.00 O ATOM 433 CG2 THR A 32 14.995 -0.234 1.506 1.00 0.00 C ATOM 0 H THR A 32 17.193 2.908 2.688 1.00 0.00 H new ATOM 0 HA THR A 32 14.696 2.482 1.297 1.00 0.00 H new ATOM 0 HB THR A 32 16.581 0.549 2.700 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.392 0.871 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.520 -1.162 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.342 -0.388 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.397 0.065 0.645 1.00 0.00 H new ATOM 441 N SER A 33 13.130 2.379 3.209 1.00 0.00 N ATOM 442 CA SER A 33 12.167 2.274 4.293 1.00 0.00 C ATOM 443 C SER A 33 11.000 1.369 3.917 1.00 0.00 C ATOM 444 O SER A 33 10.707 1.178 2.734 1.00 0.00 O ATOM 445 CB SER A 33 11.655 3.664 4.667 1.00 0.00 C ATOM 446 OG SER A 33 12.703 4.472 5.179 1.00 0.00 O ATOM 0 H SER A 33 12.749 2.754 2.340 1.00 0.00 H new ATOM 0 HA SER A 33 12.670 1.828 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.218 4.142 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.863 3.576 5.411 1.00 0.00 H new ATOM 0 HG SER A 33 12.519 5.413 4.977 1.00 0.00 H new ATOM 451 N GLU A 34 10.351 0.809 4.935 1.00 0.00 N ATOM 452 CA GLU A 34 9.204 -0.070 4.742 1.00 0.00 C ATOM 453 C GLU A 34 8.088 0.285 5.716 1.00 0.00 C ATOM 454 O GLU A 34 8.349 0.651 6.864 1.00 0.00 O ATOM 455 CB GLU A 34 9.595 -1.542 4.921 1.00 0.00 C ATOM 456 CG GLU A 34 10.481 -2.081 3.813 1.00 0.00 C ATOM 457 CD GLU A 34 10.721 -3.575 3.923 1.00 0.00 C ATOM 458 OE1 GLU A 34 9.862 -4.358 3.465 1.00 0.00 O ATOM 459 OE2 GLU A 34 11.779 -3.973 4.457 1.00 0.00 O ATOM 0 H GLU A 34 10.605 0.952 5.912 1.00 0.00 H new ATOM 0 HA GLU A 34 8.849 0.072 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.111 -1.658 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.688 -2.145 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.022 -1.862 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.439 -1.562 3.836 1.00 0.00 H new ATOM 464 N LEU A 35 6.852 0.192 5.247 1.00 0.00 N ATOM 465 CA LEU A 35 5.690 0.488 6.077 1.00 0.00 C ATOM 466 C LEU A 35 4.607 -0.545 5.794 1.00 0.00 C ATOM 467 O LEU A 35 4.306 -0.829 4.634 1.00 0.00 O ATOM 468 CB LEU A 35 5.171 1.910 5.792 1.00 0.00 C ATOM 469 CG LEU A 35 4.333 2.574 6.901 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.945 1.955 6.994 1.00 0.00 C ATOM 471 CD2 LEU A 35 5.044 2.473 8.243 1.00 0.00 C ATOM 0 H LEU A 35 6.626 -0.087 4.292 1.00 0.00 H new ATOM 0 HA LEU A 35 5.971 0.441 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.028 2.550 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.569 1.877 4.884 1.00 0.00 H new ATOM 0 HG LEU A 35 4.217 3.626 6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.380 2.446 7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.425 2.083 6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.035 0.892 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.436 2.948 9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.196 1.424 8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.010 2.975 8.182 1.00 0.00 H new ATOM 482 N ASP A 36 4.043 -1.117 6.849 1.00 0.00 N ATOM 483 CA ASP A 36 2.994 -2.121 6.702 1.00 0.00 C ATOM 484 C ASP A 36 1.632 -1.446 6.675 1.00 0.00 C ATOM 485 O ASP A 36 1.174 -0.910 7.683 1.00 0.00 O ATOM 486 CB ASP A 36 3.049 -3.137 7.847 1.00 0.00 C ATOM 487 CG ASP A 36 4.407 -3.793 7.979 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.732 -4.670 7.158 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.167 -3.414 8.899 1.00 0.00 O ATOM 0 H ASP A 36 4.293 -0.905 7.815 1.00 0.00 H new ATOM 0 HA ASP A 36 3.154 -2.651 5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.798 -2.638 8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.293 -3.905 7.683 1.00 0.00 H new ATOM 493 N LEU A 37 0.989 -1.472 5.521 1.00 0.00 N ATOM 494 CA LEU A 37 -0.314 -0.839 5.358 1.00 0.00 C ATOM 495 C LEU A 37 -1.448 -1.776 5.755 1.00 0.00 C ATOM 496 O LEU A 37 -2.558 -1.330 6.045 1.00 0.00 O ATOM 497 CB LEU A 37 -0.524 -0.414 3.904 1.00 0.00 C ATOM 498 CG LEU A 37 0.739 -0.098 3.111 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.382 0.213 1.669 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.496 1.060 3.737 1.00 0.00 C ATOM 0 H LEU A 37 1.346 -1.925 4.680 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.328 0.033 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.064 -1.208 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.166 0.467 3.893 1.00 0.00 H new ATOM 0 HG LEU A 37 1.389 -0.973 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.290 0.438 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.115 -0.649 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.286 1.074 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.393 1.266 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.860 1.945 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.779 0.801 4.757 1.00 0.00 H new ATOM 511 N ASP A 38 -1.171 -3.075 5.792 1.00 0.00 N ATOM 512 CA ASP A 38 -2.201 -4.060 6.119 1.00 0.00 C ATOM 513 C ASP A 38 -2.643 -3.962 7.570 1.00 0.00 C ATOM 514 O ASP A 38 -3.609 -4.596 7.966 1.00 0.00 O ATOM 515 CB ASP A 38 -1.725 -5.479 5.813 1.00 0.00 C ATOM 516 CG ASP A 38 -0.786 -6.025 6.864 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.352 -5.523 6.966 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.176 -6.978 7.568 1.00 0.00 O ATOM 0 H ASP A 38 -0.250 -3.470 5.602 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.061 -3.834 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.590 -6.137 5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.223 -5.488 4.845 1.00 0.00 H new ATOM 522 N THR A 39 -1.947 -3.166 8.358 1.00 0.00 N ATOM 523 CA THR A 39 -2.309 -2.997 9.751 1.00 0.00 C ATOM 524 C THR A 39 -3.347 -1.880 9.891 1.00 0.00 C ATOM 525 O THR A 39 -3.818 -1.589 10.993 1.00 0.00 O ATOM 526 CB THR A 39 -1.066 -2.692 10.619 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.394 -2.762 12.012 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.497 -1.316 10.306 1.00 0.00 C ATOM 0 H THR A 39 -1.133 -2.629 8.060 1.00 0.00 H new ATOM 0 HA THR A 39 -2.742 -3.932 10.107 1.00 0.00 H new ATOM 0 HB THR A 39 -0.313 -3.444 10.384 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.275 -2.359 12.161 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.376 -1.132 10.933 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.206 -1.273 9.257 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.253 -0.556 10.504 1.00 0.00 H new ATOM 536 N CYS A 40 -3.697 -1.257 8.764 1.00 0.00 N ATOM 537 CA CYS A 40 -4.673 -0.172 8.758 1.00 0.00 C ATOM 538 C CYS A 40 -5.688 -0.317 7.615 1.00 0.00 C ATOM 539 O CYS A 40 -6.796 0.211 7.693 1.00 0.00 O ATOM 540 CB CYS A 40 -3.959 1.175 8.654 1.00 0.00 C ATOM 541 SG CYS A 40 -2.791 1.491 9.995 1.00 0.00 S ATOM 0 H CYS A 40 -3.318 -1.487 7.845 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.225 -0.223 9.697 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.427 1.220 7.704 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.705 1.970 8.640 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.622 2.773 10.130 1.00 0.00 H new ATOM 546 N ILE A 41 -5.319 -1.035 6.562 1.00 0.00 N ATOM 547 CA ILE A 41 -6.210 -1.225 5.424 1.00 0.00 C ATOM 548 C ILE A 41 -6.946 -2.556 5.539 1.00 0.00 C ATOM 549 O ILE A 41 -6.390 -3.539 6.030 1.00 0.00 O ATOM 550 CB ILE A 41 -5.437 -1.198 4.080 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.634 0.093 3.943 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.395 -1.348 2.904 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.832 0.176 2.660 1.00 0.00 C ATOM 0 H ILE A 41 -4.413 -1.494 6.472 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.923 -0.401 5.436 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.744 -2.039 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.316 0.942 3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.956 0.181 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.832 -1.326 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.926 -2.297 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.113 -0.528 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.287 1.120 2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.125 -0.652 2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.506 0.120 1.805 1.00 0.00 H new ATOM 564 N GLY A 42 -8.191 -2.577 5.086 1.00 0.00 N ATOM 565 CA GLY A 42 -8.983 -3.788 5.123 1.00 0.00 C ATOM 566 C GLY A 42 -10.035 -3.790 4.034 1.00 0.00 C ATOM 567 O GLY A 42 -10.391 -2.729 3.521 1.00 0.00 O ATOM 0 H GLY A 42 -8.670 -1.768 4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.332 -4.654 5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.464 -3.881 6.097 1.00 0.00 H new ATOM 571 N ASN A 43 -10.523 -4.972 3.665 1.00 0.00 N ATOM 572 CA ASN A 43 -11.531 -5.080 2.611 1.00 0.00 C ATOM 573 C ASN A 43 -12.307 -6.407 2.668 1.00 0.00 C ATOM 574 O ASN A 43 -12.432 -7.099 1.659 1.00 0.00 O ATOM 575 CB ASN A 43 -10.864 -4.921 1.235 1.00 0.00 C ATOM 576 CG ASN A 43 -9.723 -5.896 1.002 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.917 -6.984 0.472 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.518 -5.504 1.384 1.00 0.00 N ATOM 0 H ASN A 43 -10.240 -5.862 4.076 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.253 -4.280 2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.615 -5.059 0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.488 -3.903 1.137 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.714 -6.115 1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.394 -4.591 1.822 1.00 0.00 H new ATOM 584 N PRO A 44 -12.908 -6.760 3.824 1.00 0.00 N ATOM 585 CA PRO A 44 -13.656 -8.018 3.959 1.00 0.00 C ATOM 586 C PRO A 44 -14.979 -7.989 3.193 1.00 0.00 C ATOM 587 O PRO A 44 -15.583 -9.029 2.930 1.00 0.00 O ATOM 588 CB PRO A 44 -13.916 -8.114 5.463 1.00 0.00 C ATOM 589 CG PRO A 44 -13.934 -6.701 5.928 1.00 0.00 C ATOM 590 CD PRO A 44 -12.937 -5.968 5.069 1.00 0.00 C ATOM 0 HA PRO A 44 -13.106 -8.866 3.551 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.863 -8.613 5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.137 -8.687 5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.929 -6.269 5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.665 -6.634 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.246 -4.939 4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.955 -5.925 5.541 1.00 0.00 H new ATOM 595 N ASN A 45 -15.417 -6.787 2.837 1.00 0.00 N ATOM 596 CA ASN A 45 -16.665 -6.608 2.105 1.00 0.00 C ATOM 597 C ASN A 45 -16.401 -6.338 0.629 1.00 0.00 C ATOM 598 O ASN A 45 -17.294 -5.914 -0.105 1.00 0.00 O ATOM 599 CB ASN A 45 -17.488 -5.466 2.711 1.00 0.00 C ATOM 600 CG ASN A 45 -18.098 -5.841 4.047 1.00 0.00 C ATOM 601 OD1 ASN A 45 -18.425 -7.005 4.288 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.254 -4.864 4.929 1.00 0.00 N ATOM 0 H ASN A 45 -14.924 -5.919 3.045 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.235 -7.534 2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.851 -4.590 2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.281 -5.186 2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.657 -5.063 5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.971 -3.913 4.692 1.00 0.00 H new ATOM 608 N GLY A 46 -15.172 -6.582 0.197 1.00 0.00 N ATOM 609 CA GLY A 46 -14.825 -6.364 -1.193 1.00 0.00 C ATOM 610 C GLY A 46 -14.563 -4.908 -1.515 1.00 0.00 C ATOM 611 O GLY A 46 -14.497 -4.528 -2.683 1.00 0.00 O ATOM 0 H GLY A 46 -14.411 -6.926 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.939 -6.950 -1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.633 -6.731 -1.826 1.00 0.00 H new ATOM 615 N PHE A 47 -14.427 -4.087 -0.485 1.00 0.00 N ATOM 616 CA PHE A 47 -14.167 -2.670 -0.676 1.00 0.00 C ATOM 617 C PHE A 47 -12.921 -2.256 0.085 1.00 0.00 C ATOM 618 O PHE A 47 -12.775 -2.557 1.265 1.00 0.00 O ATOM 619 CB PHE A 47 -15.371 -1.834 -0.249 1.00 0.00 C ATOM 620 CG PHE A 47 -16.591 -2.097 -1.083 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.538 -1.972 -2.464 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.783 -2.481 -0.493 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.652 -2.223 -3.239 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.903 -2.733 -1.263 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.838 -2.604 -2.639 1.00 0.00 C ATOM 0 H PHE A 47 -14.492 -4.378 0.490 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.997 -2.490 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.600 -2.043 0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.114 -0.777 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.614 -1.675 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.838 -2.585 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.597 -2.122 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.828 -3.030 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.712 -2.800 -3.243 1.00 0.00 H new ATOM 634 N LEU A 48 -12.036 -1.561 -0.606 1.00 0.00 N ATOM 635 CA LEU A 48 -10.774 -1.116 -0.037 1.00 0.00 C ATOM 636 C LEU A 48 -10.929 0.190 0.724 1.00 0.00 C ATOM 637 O LEU A 48 -11.541 1.143 0.234 1.00 0.00 O ATOM 638 CB LEU A 48 -9.749 -0.941 -1.158 1.00 0.00 C ATOM 639 CG LEU A 48 -9.257 -2.238 -1.800 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.393 -1.937 -3.010 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.478 -3.067 -0.790 1.00 0.00 C ATOM 0 H LEU A 48 -12.171 -1.288 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.434 -1.873 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.187 -0.314 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.889 -0.402 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.125 -2.811 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.051 -2.872 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.975 -1.378 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.531 -1.345 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.134 -3.987 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.618 -2.497 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.122 -3.311 0.054 1.00 0.00 H new ATOM 652 N GLY A 49 -10.376 0.224 1.924 1.00 0.00 N ATOM 653 CA GLY A 49 -10.440 1.415 2.737 1.00 0.00 C ATOM 654 C GLY A 49 -9.583 1.304 3.980 1.00 0.00 C ATOM 655 O GLY A 49 -9.070 0.224 4.294 1.00 0.00 O ATOM 0 H GLY A 49 -9.881 -0.559 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.115 2.273 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.474 1.601 3.026 1.00 0.00 H new ATOM 659 N TRP A 50 -9.425 2.416 4.684 1.00 0.00 N ATOM 660 CA TRP A 50 -8.627 2.451 5.900 1.00 0.00 C ATOM 661 C TRP A 50 -9.526 2.293 7.122 1.00 0.00 C ATOM 662 O TRP A 50 -10.548 2.972 7.236 1.00 0.00 O ATOM 663 CB TRP A 50 -7.860 3.777 5.995 1.00 0.00 C ATOM 664 CG TRP A 50 -6.876 4.004 4.884 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.120 4.578 3.668 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.483 3.679 4.899 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.962 4.623 2.926 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.946 4.074 3.659 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.637 3.093 5.841 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.604 3.897 3.339 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.306 2.916 5.521 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.799 3.318 4.280 1.00 0.00 C ATOM 0 H TRP A 50 -9.842 3.312 4.431 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.913 1.628 5.870 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.577 4.598 6.003 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.329 3.809 6.947 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.081 4.943 3.338 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.875 5.003 1.984 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.017 2.783 6.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.212 4.206 2.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.644 2.459 6.241 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.752 3.168 4.062 1.00 0.00 H new ATOM 682 N GLY A 51 -9.154 1.402 8.031 1.00 0.00 N ATOM 683 CA GLY A 51 -9.949 1.196 9.228 1.00 0.00 C ATOM 684 C GLY A 51 -10.038 -0.257 9.663 1.00 0.00 C ATOM 685 O GLY A 51 -10.918 -0.616 10.446 1.00 0.00 O ATOM 0 H GLY A 51 -8.319 0.820 7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.523 1.783 10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.956 1.576 9.054 1.00 0.00 H new ATOM 689 N MET A 52 -9.136 -1.099 9.169 1.00 0.00 N ATOM 690 CA MET A 52 -9.137 -2.513 9.532 1.00 0.00 C ATOM 691 C MET A 52 -7.725 -3.083 9.398 1.00 0.00 C ATOM 692 O MET A 52 -6.750 -2.342 9.481 1.00 0.00 O ATOM 693 CB MET A 52 -10.113 -3.291 8.649 1.00 0.00 C ATOM 694 CG MET A 52 -10.780 -4.453 9.370 1.00 0.00 C ATOM 695 SD MET A 52 -11.693 -5.534 8.257 1.00 0.00 S ATOM 696 CE MET A 52 -12.247 -6.798 9.400 1.00 0.00 C ATOM 0 H MET A 52 -8.398 -0.829 8.519 1.00 0.00 H new ATOM 0 HA MET A 52 -9.461 -2.611 10.568 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.881 -2.611 8.282 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.580 -3.671 7.777 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.020 -5.035 9.892 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.459 -4.063 10.128 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.658 -7.639 8.841 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.405 -7.139 10.002 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.016 -6.386 10.053 1.00 0.00 H new ATOM 704 N GLN A 53 -7.611 -4.392 9.208 1.00 0.00 N ATOM 705 CA GLN A 53 -6.312 -5.030 9.083 1.00 0.00 C ATOM 706 C GLN A 53 -6.379 -6.238 8.150 1.00 0.00 C ATOM 707 O GLN A 53 -7.465 -6.697 7.792 1.00 0.00 O ATOM 708 CB GLN A 53 -5.814 -5.468 10.463 1.00 0.00 C ATOM 709 CG GLN A 53 -6.781 -6.400 11.172 1.00 0.00 C ATOM 710 CD GLN A 53 -6.288 -6.848 12.532 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.086 -6.958 12.769 1.00 0.00 O ATOM 712 NE2 GLN A 53 -7.218 -7.106 13.435 1.00 0.00 N ATOM 0 H GLN A 53 -8.404 -5.030 9.138 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.617 -4.307 8.656 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.851 -5.966 10.355 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.649 -4.585 11.081 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.741 -5.897 11.288 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.954 -7.277 10.548 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.204 -7.002 13.196 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.950 -7.409 14.371 1.00 0.00 H new ATOM 719 N ASN A 54 -5.204 -6.732 7.769 1.00 0.00 N ATOM 720 CA ASN A 54 -5.070 -7.908 6.906 1.00 0.00 C ATOM 721 C ASN A 54 -5.696 -7.710 5.531 1.00 0.00 C ATOM 722 O ASN A 54 -6.374 -8.603 5.020 1.00 0.00 O ATOM 723 CB ASN A 54 -5.686 -9.143 7.569 1.00 0.00 C ATOM 724 CG ASN A 54 -4.798 -9.748 8.638 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.974 -9.317 9.879 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.961 -10.605 8.352 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.311 -6.327 8.051 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.000 -8.057 6.764 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.644 -8.871 8.012 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.890 -9.894 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.855 -10.911 7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.374 -11.008 9.082 1.00 0.00 H new ATOM 732 N PHE A 55 -5.451 -6.561 4.914 1.00 0.00 N ATOM 733 CA PHE A 55 -6.007 -6.297 3.591 1.00 0.00 C ATOM 734 C PHE A 55 -5.319 -7.156 2.535 1.00 0.00 C ATOM 735 O PHE A 55 -5.908 -7.476 1.512 1.00 0.00 O ATOM 736 CB PHE A 55 -5.892 -4.814 3.223 1.00 0.00 C ATOM 737 CG PHE A 55 -4.650 -4.442 2.454 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.404 -4.490 3.049 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.741 -4.030 1.133 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.269 -4.138 2.344 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.610 -3.677 0.422 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.373 -3.731 1.029 1.00 0.00 C ATOM 0 H PHE A 55 -4.881 -5.808 5.299 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.065 -6.558 3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.764 -4.533 2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.924 -4.224 4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.316 -4.807 4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.708 -3.984 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.301 -4.181 2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.695 -3.360 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.487 -3.455 0.476 1.00 0.00 H new ATOM 751 N SER A 56 -4.074 -7.538 2.794 1.00 0.00 N ATOM 752 CA SER A 56 -3.323 -8.348 1.849 1.00 0.00 C ATOM 753 C SER A 56 -3.847 -9.779 1.838 1.00 0.00 C ATOM 754 O SER A 56 -3.791 -10.467 0.820 1.00 0.00 O ATOM 755 CB SER A 56 -1.834 -8.321 2.199 1.00 0.00 C ATOM 756 OG SER A 56 -1.608 -8.826 3.503 1.00 0.00 O ATOM 0 H SER A 56 -3.567 -7.300 3.647 1.00 0.00 H new ATOM 0 HA SER A 56 -3.452 -7.931 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.276 -8.914 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.460 -7.300 2.131 1.00 0.00 H new ATOM 0 HG SER A 56 -0.723 -9.245 3.543 1.00 0.00 H new ATOM 761 N HIS A 57 -4.375 -10.211 2.976 1.00 0.00 N ATOM 762 CA HIS A 57 -4.914 -11.557 3.106 1.00 0.00 C ATOM 763 C HIS A 57 -6.338 -11.612 2.572 1.00 0.00 C ATOM 764 O HIS A 57 -6.918 -12.686 2.424 1.00 0.00 O ATOM 765 CB HIS A 57 -4.871 -12.025 4.564 1.00 0.00 C ATOM 766 CG HIS A 57 -3.496 -12.406 5.030 1.00 0.00 C ATOM 767 ND1 HIS A 57 -2.720 -11.609 5.846 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.756 -13.517 4.789 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.570 -12.209 6.082 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.564 -13.369 5.454 1.00 0.00 N ATOM 0 H HIS A 57 -4.441 -9.647 3.823 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.293 -12.230 2.515 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.256 -11.231 5.204 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.536 -12.880 4.683 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.050 -14.363 4.185 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.767 -11.816 6.688 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.800 -14.045 5.461 1.00 0.00 H new ATOM 778 N SER A 58 -6.892 -10.444 2.277 1.00 0.00 N ATOM 779 CA SER A 58 -8.242 -10.351 1.754 1.00 0.00 C ATOM 780 C SER A 58 -8.239 -9.803 0.325 1.00 0.00 C ATOM 781 O SER A 58 -9.288 -9.555 -0.255 1.00 0.00 O ATOM 782 CB SER A 58 -9.095 -9.475 2.675 1.00 0.00 C ATOM 783 OG SER A 58 -8.362 -8.349 3.135 1.00 0.00 O ATOM 0 H SER A 58 -6.422 -9.546 2.393 1.00 0.00 H new ATOM 0 HA SER A 58 -8.675 -11.351 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.985 -9.140 2.142 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.437 -10.063 3.527 1.00 0.00 H new ATOM 0 HG SER A 58 -7.737 -8.630 3.835 1.00 0.00 H new ATOM 788 N SER A 59 -7.054 -9.642 -0.250 1.00 0.00 N ATOM 789 CA SER A 59 -6.935 -9.130 -1.606 1.00 0.00 C ATOM 790 C SER A 59 -6.027 -10.020 -2.440 1.00 0.00 C ATOM 791 O SER A 59 -5.150 -10.703 -1.915 1.00 0.00 O ATOM 792 CB SER A 59 -6.401 -7.697 -1.602 1.00 0.00 C ATOM 793 OG SER A 59 -7.307 -6.809 -0.972 1.00 0.00 O ATOM 0 H SER A 59 -6.165 -9.858 0.201 1.00 0.00 H new ATOM 0 HA SER A 59 -7.930 -9.130 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.441 -7.666 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.223 -7.371 -2.627 1.00 0.00 H new ATOM 0 HG SER A 59 -8.059 -7.317 -0.601 1.00 0.00 H new ATOM 798 N GLU A 60 -6.254 -10.013 -3.741 1.00 0.00 N ATOM 799 CA GLU A 60 -5.468 -10.816 -4.659 1.00 0.00 C ATOM 800 C GLU A 60 -4.747 -9.922 -5.665 1.00 0.00 C ATOM 801 O GLU A 60 -5.341 -8.987 -6.207 1.00 0.00 O ATOM 802 CB GLU A 60 -6.379 -11.810 -5.382 1.00 0.00 C ATOM 803 CG GLU A 60 -7.190 -12.677 -4.428 1.00 0.00 C ATOM 804 CD GLU A 60 -8.170 -13.595 -5.132 1.00 0.00 C ATOM 805 OE1 GLU A 60 -8.321 -13.486 -6.366 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.798 -14.432 -4.447 1.00 0.00 O ATOM 0 H GLU A 60 -6.982 -9.456 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.717 -11.369 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.060 -11.263 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.772 -12.452 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.508 -13.279 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.737 -12.033 -3.740 1.00 0.00 H new ATOM 811 N ASP A 61 -3.464 -10.214 -5.881 1.00 0.00 N ATOM 812 CA ASP A 61 -2.609 -9.474 -6.813 1.00 0.00 C ATOM 813 C ASP A 61 -2.530 -7.996 -6.446 1.00 0.00 C ATOM 814 O ASP A 61 -3.248 -7.157 -6.997 1.00 0.00 O ATOM 815 CB ASP A 61 -3.092 -9.631 -8.256 1.00 0.00 C ATOM 816 CG ASP A 61 -1.993 -9.345 -9.260 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.624 -8.166 -9.439 1.00 0.00 O ATOM 818 OD2 ASP A 61 -1.493 -10.307 -9.884 1.00 0.00 O ATOM 0 H ASP A 61 -2.983 -10.979 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.609 -9.901 -6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.464 -10.645 -8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.929 -8.955 -8.433 1.00 0.00 H new ATOM 822 N ILE A 62 -1.652 -7.690 -5.509 1.00 0.00 N ATOM 823 CA ILE A 62 -1.464 -6.324 -5.049 1.00 0.00 C ATOM 824 C ILE A 62 -0.308 -5.650 -5.785 1.00 0.00 C ATOM 825 O ILE A 62 0.809 -6.172 -5.816 1.00 0.00 O ATOM 826 CB ILE A 62 -1.196 -6.293 -3.529 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.367 -6.928 -2.775 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.966 -4.865 -3.057 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.155 -7.016 -1.280 1.00 0.00 C ATOM 0 H ILE A 62 -1.053 -8.374 -5.048 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.382 -5.776 -5.262 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.295 -6.869 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.270 -6.349 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.539 -7.930 -3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.779 -4.862 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.105 -4.444 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.849 -4.264 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.027 -7.477 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.272 -7.620 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.014 -6.015 -0.873 1.00 0.00 H new ATOM 840 N LYS A 63 -0.586 -4.509 -6.402 1.00 0.00 N ATOM 841 CA LYS A 63 0.434 -3.764 -7.124 1.00 0.00 C ATOM 842 C LYS A 63 0.115 -2.270 -7.078 1.00 0.00 C ATOM 843 O LYS A 63 -1.046 -1.882 -7.019 1.00 0.00 O ATOM 844 CB LYS A 63 0.511 -4.249 -8.572 1.00 0.00 C ATOM 845 CG LYS A 63 1.749 -3.769 -9.310 1.00 0.00 C ATOM 846 CD LYS A 63 3.019 -4.258 -8.634 1.00 0.00 C ATOM 847 CE LYS A 63 4.257 -3.886 -9.432 1.00 0.00 C ATOM 848 NZ LYS A 63 4.296 -4.580 -10.745 1.00 0.00 N ATOM 0 H LYS A 63 -1.511 -4.080 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 63 1.401 -3.931 -6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.492 -5.339 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.375 -3.909 -9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.722 -4.125 -10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.752 -2.680 -9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.088 -3.829 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.974 -5.340 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.277 -2.808 -9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.149 -4.141 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.252 -4.509 -11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.049 -5.582 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.614 -4.136 -11.393 1.00 0.00 H new ATOM 858 N LEU A 64 1.145 -1.440 -7.104 1.00 0.00 N ATOM 859 CA LEU A 64 0.968 0.007 -7.058 1.00 0.00 C ATOM 860 C LEU A 64 0.674 0.565 -8.445 1.00 0.00 C ATOM 861 O LEU A 64 1.314 0.190 -9.422 1.00 0.00 O ATOM 862 CB LEU A 64 2.223 0.657 -6.483 1.00 0.00 C ATOM 863 CG LEU A 64 2.448 0.400 -4.993 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.885 0.715 -4.606 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.485 1.233 -4.168 1.00 0.00 C ATOM 0 H LEU A 64 2.118 -1.743 -7.157 1.00 0.00 H new ATOM 0 HA LEU A 64 0.116 0.234 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.090 0.294 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.167 1.733 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 64 2.262 -0.655 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.025 0.526 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.563 0.083 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.098 1.762 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.654 1.042 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.648 2.290 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.460 0.966 -4.426 1.00 0.00 H new ATOM 876 N GLU A 65 -0.301 1.467 -8.516 1.00 0.00 N ATOM 877 CA GLU A 65 -0.698 2.082 -9.778 1.00 0.00 C ATOM 878 C GLU A 65 0.070 3.377 -10.019 1.00 0.00 C ATOM 879 O GLU A 65 0.786 3.511 -11.009 1.00 0.00 O ATOM 880 CB GLU A 65 -2.206 2.357 -9.784 1.00 0.00 C ATOM 881 CG GLU A 65 -2.673 3.126 -11.010 1.00 0.00 C ATOM 882 CD GLU A 65 -4.167 3.368 -11.031 1.00 0.00 C ATOM 883 OE1 GLU A 65 -4.914 2.491 -11.516 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.601 4.444 -10.578 1.00 0.00 O ATOM 0 H GLU A 65 -0.834 1.790 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.460 1.387 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.741 1.409 -9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.469 2.920 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.156 4.085 -11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.388 2.575 -11.906 1.00 0.00 H new ATOM 889 N GLU A 66 -0.067 4.323 -9.097 1.00 0.00 N ATOM 890 CA GLU A 66 0.607 5.615 -9.200 1.00 0.00 C ATOM 891 C GLU A 66 2.041 5.534 -8.715 1.00 0.00 C ATOM 892 O GLU A 66 2.605 6.516 -8.228 1.00 0.00 O ATOM 893 CB GLU A 66 -0.145 6.657 -8.392 1.00 0.00 C ATOM 894 CG GLU A 66 -1.512 6.946 -8.950 1.00 0.00 C ATOM 895 CD GLU A 66 -1.451 7.792 -10.206 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.286 9.026 -10.087 1.00 0.00 O ATOM 897 OE2 GLU A 66 -1.545 7.231 -11.319 1.00 0.00 O ATOM 0 H GLU A 66 -0.644 4.219 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 66 0.619 5.901 -10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.242 6.312 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.435 7.579 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.018 6.006 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.109 7.460 -8.197 1.00 0.00 H new ATOM 902 N GLY A 67 2.605 4.348 -8.822 1.00 0.00 N ATOM 903 CA GLY A 67 3.972 4.122 -8.400 1.00 0.00 C ATOM 904 C GLY A 67 4.171 4.349 -6.918 1.00 0.00 C ATOM 905 O GLY A 67 5.296 4.509 -6.456 1.00 0.00 O ATOM 0 H GLY A 67 2.136 3.524 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.260 3.101 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.634 4.785 -8.957 1.00 0.00 H new ATOM 909 N GLY A 68 3.074 4.375 -6.169 1.00 0.00 N ATOM 910 CA GLY A 68 3.175 4.582 -4.744 1.00 0.00 C ATOM 911 C GLY A 68 2.037 5.406 -4.179 1.00 0.00 C ATOM 912 O GLY A 68 1.651 5.214 -3.032 1.00 0.00 O ATOM 0 H GLY A 68 2.125 4.257 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.198 3.614 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.120 5.078 -4.521 1.00 0.00 H new ATOM 916 N ARG A 69 1.483 6.319 -4.975 1.00 0.00 N ATOM 917 CA ARG A 69 0.389 7.157 -4.487 1.00 0.00 C ATOM 918 C ARG A 69 -0.912 6.366 -4.399 1.00 0.00 C ATOM 919 O ARG A 69 -1.814 6.712 -3.633 1.00 0.00 O ATOM 920 CB ARG A 69 0.148 8.386 -5.380 1.00 0.00 C ATOM 921 CG ARG A 69 1.160 9.514 -5.239 1.00 0.00 C ATOM 922 CD ARG A 69 2.393 9.290 -6.094 1.00 0.00 C ATOM 923 NE ARG A 69 3.199 10.503 -6.214 1.00 0.00 N ATOM 924 CZ ARG A 69 4.016 10.761 -7.237 1.00 0.00 C ATOM 925 NH1 ARG A 69 4.157 9.880 -8.222 1.00 0.00 N ATOM 926 NH2 ARG A 69 4.676 11.912 -7.280 1.00 0.00 N ATOM 0 H ARG A 69 1.765 6.495 -5.939 1.00 0.00 H new ATOM 0 HA ARG A 69 0.691 7.496 -3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.138 8.060 -6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.843 8.783 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.691 10.457 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.457 9.605 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.997 8.494 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.091 8.955 -7.086 1.00 0.00 H new ATOM 0 HE ARG A 69 3.133 11.196 -5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.639 9.001 -8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.783 10.082 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.558 12.596 -6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.301 12.112 -8.060 1.00 0.00 H new ATOM 937 N LYS A 70 -1.012 5.305 -5.182 1.00 0.00 N ATOM 938 CA LYS A 70 -2.218 4.497 -5.204 1.00 0.00 C ATOM 939 C LYS A 70 -1.877 3.018 -5.323 1.00 0.00 C ATOM 940 O LYS A 70 -0.972 2.640 -6.071 1.00 0.00 O ATOM 941 CB LYS A 70 -3.095 4.923 -6.380 1.00 0.00 C ATOM 942 CG LYS A 70 -4.539 4.469 -6.269 1.00 0.00 C ATOM 943 CD LYS A 70 -5.276 4.669 -7.579 1.00 0.00 C ATOM 944 CE LYS A 70 -6.771 4.473 -7.415 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.403 5.612 -6.697 1.00 0.00 N ATOM 0 H LYS A 70 -0.274 4.984 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.757 4.650 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.072 6.010 -6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.669 4.524 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.572 3.417 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.039 5.027 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.080 5.672 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.896 3.967 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.232 4.361 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.958 3.549 -6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.121 5.251 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.677 6.134 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.853 6.249 -7.385 1.00 0.00 H new ATOM 955 N LEU A 71 -2.611 2.197 -4.592 1.00 0.00 N ATOM 956 CA LEU A 71 -2.414 0.757 -4.595 1.00 0.00 C ATOM 957 C LEU A 71 -3.626 0.075 -5.226 1.00 0.00 C ATOM 958 O LEU A 71 -4.767 0.411 -4.913 1.00 0.00 O ATOM 959 CB LEU A 71 -2.194 0.273 -3.155 1.00 0.00 C ATOM 960 CG LEU A 71 -1.933 -1.226 -2.968 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.076 -1.454 -1.732 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.243 -1.990 -2.835 1.00 0.00 C ATOM 0 H LEU A 71 -3.363 2.511 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.534 0.501 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.350 0.821 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.072 0.542 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.405 -1.595 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.895 -2.522 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.124 -0.936 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.594 -1.068 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.033 -3.052 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.794 -1.619 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.841 -1.847 -3.735 1.00 0.00 H new ATOM 973 N THR A 72 -3.373 -0.866 -6.117 1.00 0.00 N ATOM 974 CA THR A 72 -4.439 -1.592 -6.791 1.00 0.00 C ATOM 975 C THR A 72 -4.355 -3.085 -6.499 1.00 0.00 C ATOM 976 O THR A 72 -3.274 -3.679 -6.540 1.00 0.00 O ATOM 977 CB THR A 72 -4.403 -1.359 -8.315 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.045 -1.374 -8.792 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.064 -0.038 -8.674 1.00 0.00 C ATOM 0 H THR A 72 -2.433 -1.148 -6.394 1.00 0.00 H new ATOM 0 HA THR A 72 -5.383 -1.208 -6.403 1.00 0.00 H new ATOM 0 HB THR A 72 -4.957 -2.166 -8.795 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.456 -1.721 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.027 0.106 -9.754 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.103 -0.050 -8.345 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.536 0.779 -8.181 1.00 0.00 H new ATOM 987 N CYS A 73 -5.499 -3.678 -6.198 1.00 0.00 N ATOM 988 CA CYS A 73 -5.581 -5.099 -5.894 1.00 0.00 C ATOM 989 C CYS A 73 -7.025 -5.559 -6.019 1.00 0.00 C ATOM 990 O CYS A 73 -7.923 -4.747 -6.224 1.00 0.00 O ATOM 991 CB CYS A 73 -5.064 -5.374 -4.479 1.00 0.00 C ATOM 992 SG CYS A 73 -5.930 -4.463 -3.176 1.00 0.00 S ATOM 0 H CYS A 73 -6.394 -3.191 -6.157 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.961 -5.651 -6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.147 -6.442 -4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.004 -5.124 -4.438 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.967 -3.200 -3.481 1.00 0.00 H new ATOM 997 N ARG A 74 -7.257 -6.854 -5.931 1.00 0.00 N ATOM 998 CA ARG A 74 -8.611 -7.363 -6.018 1.00 0.00 C ATOM 999 C ARG A 74 -9.101 -7.824 -4.656 1.00 0.00 C ATOM 1000 O ARG A 74 -8.762 -8.920 -4.207 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.710 -8.505 -7.025 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.109 -9.085 -7.141 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.118 -10.381 -7.930 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.473 -10.892 -8.107 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.841 -12.147 -7.860 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -10.960 -13.029 -7.401 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.099 -12.518 -8.068 1.00 0.00 N ATOM 0 H ARG A 74 -6.537 -7.564 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.247 -6.548 -6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.391 -8.146 -8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.019 -9.297 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.512 -9.264 -6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.764 -8.360 -7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.660 -10.217 -8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.512 -11.126 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.186 -10.244 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.994 -12.746 -7.235 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.250 -13.989 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.779 -11.842 -8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.385 -13.479 -7.880 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.886 -6.979 -3.978 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.451 -7.301 -2.672 1.00 0.00 C ATOM 1020 C PRO A 75 -11.468 -8.421 -2.805 1.00 0.00 C ATOM 1021 O PRO A 75 -12.406 -8.321 -3.599 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.129 -5.999 -2.239 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.423 -5.291 -3.510 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.296 -5.642 -4.438 1.00 0.00 C ATOM 0 HA PRO A 75 -9.706 -7.644 -1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.040 -6.195 -1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.477 -5.407 -1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.382 -5.606 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.481 -4.214 -3.354 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.621 -5.656 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.479 -4.924 -4.369 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.259 -9.493 -2.062 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.141 -10.639 -2.113 1.00 0.00 C ATOM 1031 C LYS A 76 -12.767 -10.937 -0.756 1.00 0.00 C ATOM 1032 O LYS A 76 -12.130 -10.783 0.284 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.376 -11.852 -2.649 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.002 -12.051 -2.013 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.059 -12.891 -0.747 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.164 -14.372 -1.059 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.985 -14.879 -1.815 1.00 0.00 N ATOM 0 H LYS A 76 -10.479 -9.591 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.963 -10.408 -2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.974 -12.748 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.254 -11.744 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.339 -12.530 -2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.570 -11.078 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.167 -12.708 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.915 -12.585 -0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.263 -14.930 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.069 -14.555 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.887 -15.903 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.118 -14.694 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.126 -14.394 -1.485 1.00 0.00 H new ATOM 1047 N THR A 77 -14.025 -11.357 -0.775 1.00 0.00 N ATOM 1048 CA THR A 77 -14.724 -11.693 0.449 1.00 0.00 C ATOM 1049 C THR A 77 -14.223 -13.037 0.944 1.00 0.00 C ATOM 1050 O THR A 77 -14.019 -13.960 0.150 1.00 0.00 O ATOM 1051 CB THR A 77 -16.257 -11.754 0.258 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.900 -11.885 1.531 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.661 -12.926 -0.631 1.00 0.00 C ATOM 0 H THR A 77 -14.578 -11.472 -1.625 1.00 0.00 H new ATOM 0 HA THR A 77 -14.521 -10.907 1.177 1.00 0.00 H new ATOM 0 HB THR A 77 -16.570 -10.829 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.871 -11.921 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.745 -12.940 -0.745 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.195 -12.817 -1.610 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.332 -13.859 -0.174 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.030 -13.137 2.248 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.533 -14.357 2.868 1.00 0.00 C ATOM 1063 C VAL A 78 -14.630 -15.420 2.956 1.00 0.00 C ATOM 1064 O VAL A 78 -14.355 -16.594 3.208 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.969 -14.062 4.276 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -14.076 -13.637 5.233 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -12.198 -15.254 4.824 1.00 0.00 C ATOM 0 H VAL A 78 -14.212 -12.379 2.906 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.731 -14.744 2.240 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.270 -13.231 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -13.650 -13.436 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.558 -12.735 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.814 -14.435 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.814 -15.014 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.861 -16.117 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.366 -15.486 4.159 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.872 -15.004 2.725 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.010 -15.920 2.779 1.00 0.00 C ATOM 1079 C ASP A 79 -16.930 -16.959 1.662 1.00 0.00 C ATOM 1080 O ASP A 79 -17.522 -18.037 1.751 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.325 -15.143 2.681 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.542 -16.035 2.832 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.829 -16.469 3.969 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -20.221 -16.298 1.821 1.00 0.00 O ATOM 0 H ASP A 79 -16.117 -14.040 2.499 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.977 -16.442 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.346 -14.373 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.370 -14.633 1.719 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.188 -16.636 0.615 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.044 -17.561 -0.493 1.00 0.00 C ATOM 1090 C GLY A 80 -14.772 -17.341 -1.291 1.00 0.00 C ATOM 1091 O GLY A 80 -14.313 -18.239 -1.996 1.00 0.00 O ATOM 0 H GLY A 80 -15.684 -15.755 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.054 -18.581 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.903 -17.461 -1.156 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.205 -16.147 -1.196 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.988 -15.844 -1.920 1.00 0.00 C ATOM 1097 C GLY A 81 -13.267 -15.156 -3.235 1.00 0.00 C ATOM 1098 O GLY A 81 -12.383 -15.021 -4.076 1.00 0.00 O ATOM 0 H GLY A 81 -14.567 -15.381 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.350 -15.208 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.436 -16.766 -2.103 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.498 -14.712 -3.402 1.00 0.00 N ATOM 1103 CA PHE A 82 -14.922 -14.052 -4.633 1.00 0.00 C ATOM 1104 C PHE A 82 -15.221 -12.592 -4.362 1.00 0.00 C ATOM 1105 O PHE A 82 -15.466 -12.240 -3.213 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.157 -14.750 -5.217 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.222 -15.055 -4.198 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.148 -14.094 -3.824 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.287 -16.305 -3.608 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.115 -14.376 -2.877 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.253 -16.593 -2.665 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.166 -15.629 -2.298 1.00 0.00 C ATOM 0 H PHE A 82 -15.231 -14.795 -2.698 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.114 -14.116 -5.361 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.584 -14.120 -5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.846 -15.680 -5.693 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.114 -13.114 -4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.573 -17.065 -3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -19.829 -13.618 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.293 -17.574 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.921 -15.853 -1.559 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.192 -11.755 -5.408 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.491 -10.326 -5.277 1.00 0.00 C ATOM 1123 C ARG A 83 -15.121 -9.555 -6.541 1.00 0.00 C ATOM 1124 O ARG A 83 -15.096 -10.114 -7.638 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.757 -9.725 -4.092 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.621 -8.856 -3.193 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.662 -9.684 -2.459 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.770 -10.064 -3.331 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.922 -10.583 -2.907 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.191 -10.671 -1.610 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -19.823 -10.989 -3.788 1.00 0.00 N ATOM 0 H ARG A 83 -14.963 -12.047 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.566 -10.241 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.332 -10.533 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.923 -9.128 -4.461 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.991 -8.337 -2.471 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.117 -8.091 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.193 -10.582 -2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.046 -9.116 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.654 -9.922 -4.334 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.512 -10.339 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.076 -11.070 -1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.634 -10.904 -4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.706 -11.387 -3.468 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.808 -8.275 -6.362 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.478 -7.380 -7.463 1.00 0.00 C ATOM 1144 C GLU A 84 -13.123 -6.715 -7.220 1.00 0.00 C ATOM 1145 O GLU A 84 -12.681 -6.609 -6.084 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.589 -6.321 -7.573 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.343 -5.230 -8.605 1.00 0.00 C ATOM 1148 CD GLU A 84 -15.261 -5.761 -10.021 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -14.198 -6.297 -10.399 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -16.253 -5.637 -10.770 1.00 0.00 O ATOM 0 H GLU A 84 -14.776 -7.829 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.409 -7.942 -8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.525 -6.824 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.721 -5.853 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.145 -4.494 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.415 -4.712 -8.363 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.467 -6.285 -8.293 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.168 -5.623 -8.189 1.00 0.00 C ATOM 1157 C ARG A 85 -11.382 -4.163 -7.805 1.00 0.00 C ATOM 1158 O ARG A 85 -12.445 -3.602 -8.081 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.405 -5.719 -9.513 1.00 0.00 C ATOM 1160 CG ARG A 85 -8.951 -5.288 -9.415 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.260 -5.330 -10.767 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.863 -4.910 -10.678 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.325 -3.951 -11.430 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.065 -3.316 -12.332 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.044 -3.635 -11.285 1.00 0.00 N ATOM 0 H ARG A 85 -12.813 -6.383 -9.247 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.573 -6.119 -7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.446 -6.747 -9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.908 -5.102 -10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.898 -4.277 -9.010 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.425 -5.939 -8.717 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.310 -6.342 -11.169 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.790 -4.683 -11.466 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.264 -5.380 -9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.048 -3.562 -12.450 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.650 -2.582 -12.906 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.472 -4.126 -10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.632 -2.901 -11.861 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.383 -3.540 -7.191 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.523 -2.156 -6.753 1.00 0.00 C ATOM 1178 C GLN A 86 -9.156 -1.515 -6.476 1.00 0.00 C ATOM 1179 O GLN A 86 -8.116 -2.164 -6.594 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.399 -2.149 -5.493 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.875 -0.779 -5.042 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.803 -0.855 -3.845 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.580 -1.924 -3.759 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.826 0.040 -3.004 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.478 -3.964 -6.987 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.990 -1.564 -7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.271 -2.777 -5.673 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.839 -2.607 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.012 -0.162 -4.791 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.390 -0.286 -5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.213 0.849 -3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.458 -0.026 -2.206 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.165 -0.237 -6.128 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.937 0.465 -5.831 1.00 0.00 C ATOM 1193 C GLY A 87 -8.105 1.401 -4.651 1.00 0.00 C ATOM 1194 O GLY A 87 -9.165 2.000 -4.475 1.00 0.00 O ATOM 0 H GLY A 87 -10.009 0.329 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.148 -0.255 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.621 1.033 -6.706 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.067 1.517 -3.840 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.093 2.386 -2.669 1.00 0.00 C ATOM 1200 C ILE A 88 -5.931 3.370 -2.732 1.00 0.00 C ATOM 1201 O ILE A 88 -4.829 3.024 -3.162 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.039 1.581 -1.343 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.957 2.527 -0.141 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.865 0.608 -1.346 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.007 1.818 1.192 1.00 0.00 C ATOM 0 H ILE A 88 -6.188 1.017 -3.970 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.038 2.929 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.958 1.001 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.032 3.101 -0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.779 3.241 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.848 0.055 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.973 -0.090 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.933 1.162 -1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.944 2.551 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.943 1.267 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.170 1.124 1.267 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.188 4.602 -2.332 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.166 5.634 -2.354 1.00 0.00 C ATOM 1218 C ASP A 89 -4.285 5.549 -1.120 1.00 0.00 C ATOM 1219 O ASP A 89 -4.777 5.370 -0.004 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.807 7.016 -2.453 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.656 7.159 -3.695 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -6.130 6.933 -4.801 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -7.856 7.476 -3.568 1.00 0.00 O ATOM 0 H ASP A 89 -7.096 4.913 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.541 5.474 -3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.422 7.194 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.027 7.778 -2.457 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.982 5.682 -1.326 1.00 0.00 N ATOM 1228 CA LEU A 90 -2.022 5.618 -0.238 1.00 0.00 C ATOM 1229 C LEU A 90 -1.469 6.993 0.075 1.00 0.00 C ATOM 1230 O LEU A 90 -0.266 7.171 0.268 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.876 4.692 -0.593 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.275 3.270 -0.948 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.034 2.498 -1.315 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.014 2.604 0.205 1.00 0.00 C ATOM 0 H LEU A 90 -2.565 5.836 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.542 5.233 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.333 5.120 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.184 4.658 0.249 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.958 3.285 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.305 1.474 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.449 2.971 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.653 2.489 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.288 1.587 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.369 2.576 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.916 3.172 0.436 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.354 7.962 0.131 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.971 9.337 0.435 1.00 0.00 C ATOM 1247 C ASN A 91 -1.714 9.481 1.927 1.00 0.00 C ATOM 1248 O ASN A 91 -1.429 10.569 2.429 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.051 10.320 -0.024 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.905 10.700 -1.489 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.529 9.935 -2.373 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -2.235 11.678 -1.822 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.352 7.830 -0.030 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.055 9.572 -0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.034 9.877 0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.003 11.220 0.589 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.769 12.243 -1.112 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.146 11.923 -2.808 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.827 8.362 2.627 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.603 8.310 4.058 1.00 0.00 C ATOM 1260 C ARG A 92 -0.201 7.799 4.355 1.00 0.00 C ATOM 1261 O ARG A 92 0.296 7.920 5.471 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.622 7.385 4.722 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.053 7.871 4.639 1.00 0.00 C ATOM 1264 CD ARG A 92 -4.915 7.150 5.655 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.612 7.573 7.021 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.507 7.616 8.002 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.761 7.247 7.778 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.140 8.032 9.204 1.00 0.00 N ATOM 0 H ARG A 92 -2.078 7.464 2.214 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.714 9.318 4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.558 6.401 4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.353 7.261 5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.090 8.945 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.444 7.702 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.967 7.341 5.440 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.761 6.075 5.565 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.654 7.852 7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.041 6.929 6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.445 7.281 8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.175 8.317 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.822 8.068 9.962 1.00 0.00 H new ATOM 1279 N ILE A 93 0.435 7.215 3.354 1.00 0.00 N ATOM 1280 CA ILE A 93 1.772 6.677 3.528 1.00 0.00 C ATOM 1281 C ILE A 93 2.800 7.662 3.003 1.00 0.00 C ATOM 1282 O ILE A 93 2.958 7.830 1.793 1.00 0.00 O ATOM 1283 CB ILE A 93 1.930 5.315 2.818 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.763 4.397 3.186 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.255 4.659 3.197 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.612 4.185 4.679 1.00 0.00 C ATOM 0 H ILE A 93 0.049 7.102 2.417 1.00 0.00 H new ATOM 0 HA ILE A 93 1.935 6.518 4.594 1.00 0.00 H new ATOM 0 HB ILE A 93 1.927 5.483 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.161 4.820 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.904 3.431 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.346 3.701 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.080 5.308 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.287 4.500 4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.234 3.524 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.521 3.734 5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.440 5.144 5.167 1.00 0.00 H new ATOM 1297 N GLN A 94 3.480 8.329 3.920 1.00 0.00 N ATOM 1298 CA GLN A 94 4.482 9.313 3.557 1.00 0.00 C ATOM 1299 C GLN A 94 5.777 9.079 4.319 1.00 0.00 C ATOM 1300 O GLN A 94 5.789 8.461 5.383 1.00 0.00 O ATOM 1301 CB GLN A 94 3.955 10.727 3.811 1.00 0.00 C ATOM 1302 CG GLN A 94 2.792 11.104 2.907 1.00 0.00 C ATOM 1303 CD GLN A 94 2.889 12.524 2.391 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.553 12.688 1.258 1.00 0.00 O flip ATOM 1305 NE2 GLN A 94 2.382 13.461 3.003 1.00 0.00 N flip ATOM 0 H GLN A 94 3.355 8.205 4.925 1.00 0.00 H new ATOM 0 HA GLN A 94 4.695 9.207 2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.640 10.809 4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.766 11.441 3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.756 10.416 2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.857 10.984 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.879 13.289 3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.464 14.411 2.641 1.00 0.00 H new ATOM 1312 N ASN A 95 6.865 9.565 3.752 1.00 0.00 N ATOM 1313 CA ASN A 95 8.181 9.422 4.350 1.00 0.00 C ATOM 1314 C ASN A 95 8.553 10.658 5.162 1.00 0.00 C ATOM 1315 O ASN A 95 8.787 11.736 4.614 1.00 0.00 O ATOM 1316 CB ASN A 95 9.250 9.161 3.272 1.00 0.00 C ATOM 1317 CG ASN A 95 9.249 10.191 2.148 1.00 0.00 C ATOM 1318 OD1 ASN A 95 8.200 10.680 1.726 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.431 10.537 1.661 1.00 0.00 N ATOM 0 H ASN A 95 6.863 10.069 2.865 1.00 0.00 H new ATOM 0 HA ASN A 95 8.144 8.564 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.233 9.150 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.090 8.171 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.492 11.228 0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.280 10.112 2.034 1.00 0.00 H new ATOM 1325 N VAL A 96 8.602 10.493 6.471 1.00 0.00 N ATOM 1326 CA VAL A 96 8.962 11.575 7.366 1.00 0.00 C ATOM 1327 C VAL A 96 10.467 11.555 7.591 1.00 0.00 C ATOM 1328 O VAL A 96 10.987 10.688 8.293 1.00 0.00 O ATOM 1329 CB VAL A 96 8.229 11.468 8.722 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.609 12.625 9.634 1.00 0.00 C ATOM 1331 CG2 VAL A 96 6.724 11.427 8.513 1.00 0.00 C ATOM 0 H VAL A 96 8.395 9.611 6.940 1.00 0.00 H new ATOM 0 HA VAL A 96 8.660 12.515 6.903 1.00 0.00 H new ATOM 0 HB VAL A 96 8.537 10.539 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.081 12.529 10.583 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.684 12.609 9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.335 13.567 9.160 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.224 11.352 9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.402 12.338 8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.465 10.562 7.902 1.00 0.00 H new ATOM 1341 N ASN A 97 11.159 12.488 6.947 1.00 0.00 N ATOM 1342 CA ASN A 97 12.612 12.602 7.048 1.00 0.00 C ATOM 1343 C ASN A 97 13.295 11.326 6.566 1.00 0.00 C ATOM 1344 O ASN A 97 14.320 10.912 7.106 1.00 0.00 O ATOM 1345 CB ASN A 97 13.054 12.929 8.481 1.00 0.00 C ATOM 1346 CG ASN A 97 12.850 14.388 8.857 1.00 0.00 C ATOM 1347 OD1 ASN A 97 11.835 15.027 8.293 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 13.604 14.939 9.655 1.00 0.00 N flip ATOM 0 H ASN A 97 10.730 13.187 6.340 1.00 0.00 H new ATOM 0 HA ASN A 97 12.916 13.427 6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.498 12.301 9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.108 12.676 8.595 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.376 14.418 10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.458 15.918 9.902 1.00 0.00 H new ATOM 1354 N GLY A 98 12.711 10.697 5.552 1.00 0.00 N ATOM 1355 CA GLY A 98 13.282 9.482 5.006 1.00 0.00 C ATOM 1356 C GLY A 98 12.628 8.219 5.532 1.00 0.00 C ATOM 1357 O GLY A 98 12.607 7.196 4.847 1.00 0.00 O ATOM 0 H GLY A 98 11.852 11.008 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.192 9.503 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.347 9.454 5.237 1.00 0.00 H new ATOM 1361 N ARG A 99 12.079 8.284 6.735 1.00 0.00 N ATOM 1362 CA ARG A 99 11.446 7.117 7.338 1.00 0.00 C ATOM 1363 C ARG A 99 9.994 7.028 6.905 1.00 0.00 C ATOM 1364 O ARG A 99 9.251 7.999 7.010 1.00 0.00 O ATOM 1365 CB ARG A 99 11.528 7.171 8.870 1.00 0.00 C ATOM 1366 CG ARG A 99 12.944 7.293 9.415 1.00 0.00 C ATOM 1367 CD ARG A 99 13.386 8.746 9.529 1.00 0.00 C ATOM 1368 NE ARG A 99 12.642 9.472 10.559 1.00 0.00 N ATOM 1369 CZ ARG A 99 13.136 10.503 11.247 1.00 0.00 C ATOM 1370 NH1 ARG A 99 14.376 10.926 11.016 1.00 0.00 N ATOM 1371 NH2 ARG A 99 12.387 11.111 12.163 1.00 0.00 N ATOM 0 H ARG A 99 12.058 9.125 7.311 1.00 0.00 H new ATOM 0 HA ARG A 99 11.981 6.231 6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.940 8.018 9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.069 6.271 9.279 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.998 6.819 10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.632 6.755 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.451 8.783 9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.250 9.242 8.568 1.00 0.00 H new ATOM 0 HE ARG A 99 11.689 9.172 10.763 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.950 10.462 10.312 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.752 11.714 11.543 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.435 10.789 12.339 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.764 11.899 12.689 1.00 0.00 H new ATOM 1382 N LEU A 100 9.589 5.871 6.414 1.00 0.00 N ATOM 1383 CA LEU A 100 8.221 5.687 5.967 1.00 0.00 C ATOM 1384 C LEU A 100 7.308 5.542 7.175 1.00 0.00 C ATOM 1385 O LEU A 100 7.486 4.636 7.993 1.00 0.00 O ATOM 1386 CB LEU A 100 8.113 4.463 5.058 1.00 0.00 C ATOM 1387 CG LEU A 100 7.047 4.569 3.972 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.339 5.755 3.075 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.983 3.291 3.153 1.00 0.00 C ATOM 0 H LEU A 100 10.184 5.049 6.315 1.00 0.00 H new ATOM 0 HA LEU A 100 7.912 6.560 5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.080 4.293 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.901 3.588 5.673 1.00 0.00 H new ATOM 0 HG LEU A 100 6.078 4.715 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.573 5.824 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.339 6.669 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.315 5.626 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.216 3.389 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.949 3.113 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.738 2.453 3.805 1.00 0.00 H new ATOM 1400 N VAL A 101 6.343 6.442 7.289 1.00 0.00 N ATOM 1401 CA VAL A 101 5.425 6.440 8.418 1.00 0.00 C ATOM 1402 C VAL A 101 3.978 6.506 7.950 1.00 0.00 C ATOM 1403 O VAL A 101 3.661 7.184 6.971 1.00 0.00 O ATOM 1404 CB VAL A 101 5.685 7.652 9.351 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.827 7.571 10.606 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.159 7.751 9.721 1.00 0.00 C ATOM 0 H VAL A 101 6.175 7.185 6.611 1.00 0.00 H new ATOM 0 HA VAL A 101 5.596 5.510 8.961 1.00 0.00 H new ATOM 0 HB VAL A 101 5.408 8.554 8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.030 8.433 11.242 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.773 7.566 10.327 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.063 6.656 11.149 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.313 8.609 10.375 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.467 6.841 10.237 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.754 7.874 8.816 1.00 0.00 H new ATOM 1416 N PHE A 102 3.108 5.784 8.641 1.00 0.00 N ATOM 1417 CA PHE A 102 1.693 5.808 8.328 1.00 0.00 C ATOM 1418 C PHE A 102 1.068 7.026 8.984 1.00 0.00 C ATOM 1419 O PHE A 102 1.195 7.226 10.193 1.00 0.00 O ATOM 1420 CB PHE A 102 0.983 4.540 8.804 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.505 4.717 8.925 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.293 4.927 7.803 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.115 4.686 10.168 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.654 5.101 7.921 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.479 4.860 10.291 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.250 5.069 9.166 1.00 0.00 C ATOM 0 H PHE A 102 3.360 5.176 9.420 1.00 0.00 H new ATOM 0 HA PHE A 102 1.580 5.857 7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.192 3.728 8.107 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.389 4.243 9.771 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.834 4.954 6.826 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.516 4.524 11.052 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.256 5.263 7.039 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.942 4.833 11.266 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.317 5.207 9.259 1.00 0.00 H new ATOM 1435 N GLN A 103 0.419 7.841 8.187 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.212 9.041 8.684 1.00 0.00 C ATOM 1437 C GLN A 103 -1.608 9.205 8.094 1.00 0.00 C ATOM 1438 O GLN A 103 -2.592 8.903 8.802 1.00 0.00 O ATOM 1439 CB GLN A 103 0.685 10.226 8.346 1.00 0.00 C ATOM 1440 CG GLN A 103 0.116 11.582 8.715 1.00 0.00 C ATOM 1441 CD GLN A 103 1.144 12.685 8.580 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.149 12.464 7.743 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 1.056 13.712 9.250 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -1.718 9.614 6.926 1.00 0.00 O ATOM 0 H GLN A 103 0.314 7.693 7.183 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.336 8.980 9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.640 10.098 8.856 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.891 10.214 7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.738 11.803 8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.252 11.554 9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.266 13.842 9.882 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.773 14.434 9.174 1.00 0.00 H new