USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 526 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 68 THR OG1 : rot -57:sc= 0.948 USER MOD Set 1.2: A 70 THR OG1 : rot 75:sc= -0.332 USER MOD Set 2.1: A 35 THR OG1 : rot 173:sc= -0.641! USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 6 ASN :FLIP amide:sc= -1.79! F(o=-2.9,f=-1.8!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.045) USER MOD Single : A 11 TYR OH : rot -66:sc= 1.22 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -110:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -128:sc= -0.777 USER MOD Single : A 23 LYS NZ :NH3+ -127:sc= -0.16 (180deg=-1.04) USER MOD Single : A 27 ASN : amide:sc= -0.099 X(o=-0.099,f=-0.32) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 160:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -6.25! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.139 (180deg=-1.06) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= 1.35! (180deg=0.387!) USER MOD Single : A 51 GLN : amide:sc=-0.00903 X(o=-0.009,f=-0.17) USER MOD Single : A 54 ASN : amide:sc=-0.00381 X(o=-0.0038,f=-0.22) USER MOD Single : A 56 ASN :FLIP amide:sc= -9.07! C(o=-11!,f=-9.1!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -11:sc= -1.29 USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= 0.918 (180deg=0.723) USER MOD Single : A 72 THR OG1 : rot -60:sc= -0.0842 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N TYR A 2 0.297 -1.566 -2.744 1.00 65.23 N ATOM 12 CA TYR A 2 -0.211 -2.421 -3.804 1.00 3.12 C ATOM 13 C TYR A 2 0.901 -2.796 -4.787 1.00 14.55 C ATOM 14 O TYR A 2 1.869 -2.054 -4.946 1.00 60.01 O ATOM 15 CB TYR A 2 -1.269 -1.597 -4.539 1.00 51.34 C ATOM 16 CG TYR A 2 -2.574 -1.421 -3.760 1.00 23.32 C ATOM 17 CD1 TYR A 2 -3.208 -2.521 -3.219 1.00 25.44 C ATOM 18 CD2 TYR A 2 -3.117 -0.163 -3.598 1.00 0.15 C ATOM 19 CE1 TYR A 2 -4.435 -2.356 -2.485 1.00 35.32 C ATOM 20 CE2 TYR A 2 -4.345 0.002 -2.864 1.00 1.22 C ATOM 21 CZ TYR A 2 -4.944 -1.103 -2.344 1.00 4.33 C ATOM 22 OH TYR A 2 -6.103 -0.947 -1.651 1.00 13.34 O ATOM 0 HA TYR A 2 -0.614 -3.346 -3.391 1.00 3.12 H new ATOM 0 HB2 TYR A 2 -0.857 -0.613 -4.764 1.00 51.34 H new ATOM 0 HB3 TYR A 2 -1.489 -2.076 -5.493 1.00 51.34 H new ATOM 0 HD1 TYR A 2 -2.783 -3.506 -3.346 1.00 25.44 H new ATOM 0 HD2 TYR A 2 -2.621 0.698 -4.022 1.00 0.15 H new ATOM 0 HE1 TYR A 2 -4.940 -3.209 -2.056 1.00 35.32 H new ATOM 0 HE2 TYR A 2 -4.781 0.981 -2.729 1.00 1.22 H new ATOM 0 HH TYR A 2 -6.347 0.002 -1.630 1.00 13.34 H new ATOM 32 N VAL A 3 0.724 -3.946 -5.420 1.00 11.23 N ATOM 33 CA VAL A 3 1.700 -4.428 -6.382 1.00 53.25 C ATOM 34 C VAL A 3 0.977 -4.869 -7.657 1.00 22.31 C ATOM 35 O VAL A 3 0.004 -5.598 -7.661 1.00 44.51 O ATOM 36 CB VAL A 3 2.545 -5.540 -5.759 1.00 21.13 C ATOM 37 CG1 VAL A 3 3.028 -6.525 -6.825 1.00 45.11 C ATOM 38 CG2 VAL A 3 3.723 -4.959 -4.974 1.00 42.14 C ATOM 0 H VAL A 3 -0.081 -4.558 -5.286 1.00 11.23 H new ATOM 0 HA VAL A 3 2.390 -3.631 -6.658 1.00 53.25 H new ATOM 0 HB VAL A 3 1.914 -6.088 -5.059 1.00 21.13 H new ATOM 0 HG11 VAL A 3 3.626 -7.305 -6.355 1.00 45.11 H new ATOM 0 HG12 VAL A 3 2.168 -6.976 -7.320 1.00 45.11 H new ATOM 0 HG13 VAL A 3 3.634 -5.997 -7.561 1.00 45.11 H new ATOM 0 HG21 VAL A 3 4.308 -5.771 -4.541 1.00 42.14 H new ATOM 0 HG22 VAL A 3 4.354 -4.375 -5.644 1.00 42.14 H new ATOM 0 HG23 VAL A 3 3.348 -4.317 -4.177 1.00 42.14 H new ATOM 48 N ASP A 4 1.482 -4.404 -8.766 1.00 63.40 N ATOM 49 CA ASP A 4 0.872 -4.767 -10.076 1.00 50.22 C ATOM 50 C ASP A 4 1.659 -5.912 -10.722 1.00 2.13 C ATOM 51 O ASP A 4 2.876 -5.944 -10.547 1.00 23.03 O ATOM 52 CB ASP A 4 0.975 -3.499 -10.925 1.00 30.01 C ATOM 53 CG ASP A 4 0.422 -3.774 -12.324 1.00 50.32 C ATOM 54 OD1 ASP A 4 -0.122 -4.848 -12.525 1.00 44.23 O ATOM 55 OD2 ASP A 4 0.552 -2.907 -13.173 1.00 51.12 O ATOM 0 H ASP A 4 2.292 -3.787 -8.822 1.00 63.40 H new ATOM 0 HA ASP A 4 -0.159 -5.106 -9.975 1.00 50.22 H new ATOM 0 HB2 ASP A 4 0.418 -2.688 -10.455 1.00 30.01 H new ATOM 0 HB3 ASP A 4 2.014 -3.176 -10.990 1.00 30.01 H new ATOM 60 N THR A 5 0.979 -6.803 -11.427 1.00 72.15 N ATOM 61 CA THR A 5 1.650 -7.922 -12.067 1.00 41.21 C ATOM 62 C THR A 5 1.677 -7.730 -13.585 1.00 24.32 C ATOM 63 O THR A 5 1.948 -8.672 -14.328 1.00 72.22 O ATOM 64 CB THR A 5 0.947 -9.208 -11.629 1.00 71.15 C ATOM 65 OG1 THR A 5 -0.257 -9.223 -12.392 1.00 44.44 O ATOM 66 CG2 THR A 5 0.467 -9.148 -10.178 1.00 20.41 C ATOM 0 H THR A 5 -0.031 -6.773 -11.570 1.00 72.15 H new ATOM 0 HA THR A 5 2.694 -7.985 -11.761 1.00 41.21 H new ATOM 0 HB THR A 5 1.626 -10.052 -11.752 1.00 71.15 H new ATOM 0 HG1 THR A 5 -0.774 -10.026 -12.171 1.00 44.44 H new ATOM 0 HG21 THR A 5 -0.025 -10.085 -9.918 1.00 20.41 H new ATOM 0 HG22 THR A 5 1.321 -8.991 -9.519 1.00 20.41 H new ATOM 0 HG23 THR A 5 -0.237 -8.324 -10.062 1.00 20.41 H new ATOM 74 N ASN A 6 1.394 -6.504 -14.000 1.00 33.44 N ATOM 75 CA ASN A 6 1.382 -6.177 -15.415 1.00 63.23 C ATOM 76 C ASN A 6 2.566 -5.261 -15.732 1.00 50.10 C ATOM 77 O ASN A 6 3.026 -5.207 -16.871 1.00 42.14 O ATOM 78 CB ASN A 6 0.098 -5.440 -15.800 1.00 31.41 C ATOM 79 CG ASN A 6 -1.118 -6.062 -15.111 1.00 33.23 C ATOM 80 OD1 ASN A 6 -1.042 -7.382 -14.966 1.00 64.23 O flip ATOM 81 ND2 ASN A 6 -2.064 -5.388 -14.735 1.00 1.03 N flip ATOM 0 H ASN A 6 1.171 -5.725 -13.380 1.00 33.44 H new ATOM 0 HA ASN A 6 1.444 -7.109 -15.977 1.00 63.23 H new ATOM 0 HB2 ASN A 6 0.180 -4.389 -15.522 1.00 31.41 H new ATOM 0 HB3 ASN A 6 -0.035 -5.474 -16.881 1.00 31.41 H new ATOM 0 HD21 ASN A 6 -2.059 -4.378 -14.877 1.00 1.03 H new ATOM 0 HD22 ASN A 6 -2.859 -5.835 -14.279 1.00 1.03 H new ATOM 88 N ASN A 7 3.025 -4.563 -14.703 1.00 71.25 N ATOM 89 CA ASN A 7 4.146 -3.652 -14.858 1.00 1.11 C ATOM 90 C ASN A 7 3.663 -2.366 -15.532 1.00 4.12 C ATOM 91 O ASN A 7 4.429 -1.701 -16.228 1.00 12.42 O ATOM 92 CB ASN A 7 5.237 -4.265 -15.737 1.00 64.51 C ATOM 93 CG ASN A 7 6.603 -3.649 -15.427 1.00 11.05 C ATOM 94 OD1 ASN A 7 7.240 -3.033 -16.265 1.00 61.32 O ATOM 95 ND2 ASN A 7 7.015 -3.848 -14.178 1.00 31.22 N ATOM 0 H ASN A 7 2.641 -4.610 -13.759 1.00 71.25 H new ATOM 0 HA ASN A 7 4.553 -3.448 -13.868 1.00 1.11 H new ATOM 0 HB2 ASN A 7 5.275 -5.342 -15.577 1.00 64.51 H new ATOM 0 HB3 ASN A 7 4.993 -4.108 -16.788 1.00 64.51 H new ATOM 0 HD21 ASN A 7 7.914 -3.475 -13.872 1.00 31.22 H new ATOM 0 HD22 ASN A 7 6.432 -4.373 -13.526 1.00 31.22 H new ATOM 102 N ASP A 8 2.396 -2.055 -15.301 1.00 43.45 N ATOM 103 CA ASP A 8 1.802 -0.860 -15.878 1.00 25.24 C ATOM 104 C ASP A 8 1.671 0.212 -14.794 1.00 42.33 C ATOM 105 O ASP A 8 0.931 1.180 -14.961 1.00 15.15 O ATOM 106 CB ASP A 8 0.405 -1.150 -16.427 1.00 74.44 C ATOM 107 CG ASP A 8 -0.593 -1.694 -15.403 1.00 14.53 C ATOM 108 OD1 ASP A 8 -0.650 -1.108 -14.300 1.00 0.30 O ATOM 109 OD2 ASP A 8 -1.277 -2.682 -15.745 1.00 72.24 O ATOM 0 H ASP A 8 1.764 -2.609 -14.723 1.00 43.45 H new ATOM 0 HA ASP A 8 2.445 -0.521 -16.690 1.00 25.24 H new ATOM 0 HB2 ASP A 8 0.001 -0.232 -16.853 1.00 74.44 H new ATOM 0 HB3 ASP A 8 0.493 -1.868 -17.242 1.00 74.44 H new ATOM 114 N GLY A 9 2.402 0.004 -13.709 1.00 34.13 N ATOM 115 CA GLY A 9 2.376 0.941 -12.598 1.00 60.24 C ATOM 116 C GLY A 9 0.942 1.356 -12.265 1.00 11.55 C ATOM 117 O GLY A 9 0.685 2.519 -11.956 1.00 13.11 O ATOM 0 H GLY A 9 3.016 -0.799 -13.575 1.00 34.13 H new ATOM 0 HA2 GLY A 9 2.839 0.486 -11.723 1.00 60.24 H new ATOM 0 HA3 GLY A 9 2.965 1.823 -12.848 1.00 60.24 H new ATOM 121 N ALA A 10 0.046 0.384 -12.338 1.00 35.43 N ATOM 122 CA ALA A 10 -1.356 0.634 -12.047 1.00 70.11 C ATOM 123 C ALA A 10 -1.956 -0.592 -11.356 1.00 60.31 C ATOM 124 O ALA A 10 -1.770 -1.719 -11.812 1.00 74.35 O ATOM 125 CB ALA A 10 -2.090 0.991 -13.341 1.00 41.21 C ATOM 0 H ALA A 10 0.263 -0.579 -12.595 1.00 35.43 H new ATOM 0 HA ALA A 10 -1.462 1.480 -11.368 1.00 70.11 H new ATOM 0 HB1 ALA A 10 -3.141 1.178 -13.123 1.00 41.21 H new ATOM 0 HB2 ALA A 10 -1.645 1.885 -13.777 1.00 41.21 H new ATOM 0 HB3 ALA A 10 -2.008 0.164 -14.046 1.00 41.21 H new ATOM 131 N TYR A 11 -2.663 -0.331 -10.267 1.00 12.14 N ATOM 132 CA TYR A 11 -3.292 -1.399 -9.508 1.00 65.11 C ATOM 133 C TYR A 11 -4.763 -1.557 -9.898 1.00 45.14 C ATOM 134 O TYR A 11 -5.542 -0.612 -9.789 1.00 51.23 O ATOM 135 CB TYR A 11 -3.208 -0.979 -8.039 1.00 52.23 C ATOM 136 CG TYR A 11 -1.787 -0.679 -7.558 1.00 14.14 C ATOM 137 CD1 TYR A 11 -0.788 -1.615 -7.731 1.00 1.12 C ATOM 138 CD2 TYR A 11 -1.505 0.528 -6.950 1.00 20.51 C ATOM 139 CE1 TYR A 11 0.549 -1.333 -7.277 1.00 43.34 C ATOM 140 CE2 TYR A 11 -0.168 0.810 -6.496 1.00 63.25 C ATOM 141 CZ TYR A 11 0.793 -0.134 -6.683 1.00 25.23 C ATOM 142 OH TYR A 11 2.056 0.132 -6.254 1.00 45.35 O ATOM 0 H TYR A 11 -2.815 0.605 -9.891 1.00 12.14 H new ATOM 0 HA TYR A 11 -2.795 -2.350 -9.700 1.00 65.11 H new ATOM 0 HB2 TYR A 11 -3.826 -0.094 -7.889 1.00 52.23 H new ATOM 0 HB3 TYR A 11 -3.630 -1.771 -7.421 1.00 52.23 H new ATOM 0 HD1 TYR A 11 -1.009 -2.559 -8.207 1.00 1.12 H new ATOM 0 HD2 TYR A 11 -2.287 1.261 -6.815 1.00 20.51 H new ATOM 0 HE1 TYR A 11 1.340 -2.057 -7.405 1.00 43.34 H new ATOM 0 HE2 TYR A 11 0.066 1.750 -6.018 1.00 63.25 H new ATOM 0 HH TYR A 11 2.290 -0.481 -5.526 1.00 45.35 H new ATOM 152 N GLU A 12 -5.098 -2.758 -10.345 1.00 65.41 N ATOM 153 CA GLU A 12 -6.461 -3.052 -10.752 1.00 71.02 C ATOM 154 C GLU A 12 -6.689 -4.564 -10.791 1.00 74.40 C ATOM 155 O GLU A 12 -6.073 -5.268 -11.590 1.00 33.54 O ATOM 156 CB GLU A 12 -6.778 -2.415 -12.106 1.00 53.25 C ATOM 157 CG GLU A 12 -6.084 -3.168 -13.243 1.00 2.20 C ATOM 158 CD GLU A 12 -4.600 -3.379 -12.934 1.00 73.43 C ATOM 159 OE1 GLU A 12 -3.956 -2.385 -12.537 1.00 0.24 O ATOM 160 OE2 GLU A 12 -4.144 -4.531 -13.103 1.00 51.10 O ATOM 0 H GLU A 12 -4.448 -3.539 -10.434 1.00 65.41 H new ATOM 0 HA GLU A 12 -7.140 -2.621 -10.016 1.00 71.02 H new ATOM 0 HB2 GLU A 12 -7.856 -2.416 -12.269 1.00 53.25 H new ATOM 0 HB3 GLU A 12 -6.457 -1.373 -12.106 1.00 53.25 H new ATOM 0 HG2 GLU A 12 -6.569 -4.133 -13.394 1.00 2.20 H new ATOM 0 HG3 GLU A 12 -6.190 -2.609 -14.173 1.00 2.20 H new ATOM 167 N GLY A 13 -7.577 -5.019 -9.918 1.00 64.45 N ATOM 168 CA GLY A 13 -7.894 -6.435 -9.843 1.00 22.41 C ATOM 169 C GLY A 13 -7.311 -7.061 -8.574 1.00 41.02 C ATOM 170 O GLY A 13 -7.628 -6.634 -7.465 1.00 72.20 O ATOM 0 H GLY A 13 -8.086 -4.432 -9.257 1.00 64.45 H new ATOM 0 HA2 GLY A 13 -8.975 -6.570 -9.856 1.00 22.41 H new ATOM 0 HA3 GLY A 13 -7.498 -6.947 -10.720 1.00 22.41 H new ATOM 174 N ASP A 14 -6.469 -8.063 -8.780 1.00 4.31 N ATOM 175 CA ASP A 14 -5.838 -8.751 -7.666 1.00 74.44 C ATOM 176 C ASP A 14 -4.686 -7.899 -7.132 1.00 25.31 C ATOM 177 O ASP A 14 -4.210 -8.120 -6.019 1.00 42.13 O ATOM 178 CB ASP A 14 -5.265 -10.100 -8.106 1.00 72.01 C ATOM 179 CG ASP A 14 -4.463 -10.842 -7.035 1.00 42.22 C ATOM 180 OD1 ASP A 14 -4.729 -10.709 -5.831 1.00 70.04 O ATOM 181 OD2 ASP A 14 -3.516 -11.593 -7.486 1.00 43.30 O ATOM 0 H ASP A 14 -6.209 -8.415 -9.701 1.00 4.31 H new ATOM 0 HA ASP A 14 -6.594 -8.913 -6.898 1.00 74.44 H new ATOM 0 HB2 ASP A 14 -6.087 -10.738 -8.431 1.00 72.01 H new ATOM 0 HB3 ASP A 14 -4.624 -9.940 -8.973 1.00 72.01 H new ATOM 187 N GLU A 15 -4.270 -6.944 -7.950 1.00 3.41 N ATOM 188 CA GLU A 15 -3.182 -6.057 -7.573 1.00 65.34 C ATOM 189 C GLU A 15 -3.595 -5.184 -6.387 1.00 42.53 C ATOM 190 O GLU A 15 -2.761 -4.500 -5.795 1.00 20.53 O ATOM 191 CB GLU A 15 -2.739 -5.198 -8.759 1.00 62.13 C ATOM 192 CG GLU A 15 -2.406 -6.068 -9.973 1.00 74.41 C ATOM 193 CD GLU A 15 -2.353 -5.229 -11.251 1.00 61.13 C ATOM 194 OE1 GLU A 15 -2.374 -3.987 -11.116 1.00 0.43 O ATOM 195 OE2 GLU A 15 -2.292 -5.849 -12.335 1.00 74.00 O ATOM 0 H GLU A 15 -4.666 -6.765 -8.873 1.00 3.41 H new ATOM 0 HA GLU A 15 -2.331 -6.667 -7.270 1.00 65.34 H new ATOM 0 HB2 GLU A 15 -3.530 -4.494 -9.018 1.00 62.13 H new ATOM 0 HB3 GLU A 15 -1.866 -4.608 -8.479 1.00 62.13 H new ATOM 0 HG2 GLU A 15 -1.447 -6.562 -9.818 1.00 74.41 H new ATOM 0 HG3 GLU A 15 -3.156 -6.852 -10.079 1.00 74.41 H new ATOM 202 N LEU A 16 -4.882 -5.234 -6.076 1.00 43.34 N ATOM 203 CA LEU A 16 -5.416 -4.455 -4.972 1.00 23.32 C ATOM 204 C LEU A 16 -5.891 -5.403 -3.869 1.00 14.22 C ATOM 205 O LEU A 16 -6.906 -5.148 -3.222 1.00 22.25 O ATOM 206 CB LEU A 16 -6.499 -3.495 -5.467 1.00 70.23 C ATOM 207 CG LEU A 16 -6.068 -2.494 -6.541 1.00 2.23 C ATOM 208 CD1 LEU A 16 -7.241 -2.127 -7.452 1.00 32.25 C ATOM 209 CD2 LEU A 16 -5.424 -1.257 -5.910 1.00 62.51 C ATOM 0 H LEU A 16 -5.571 -5.802 -6.569 1.00 43.34 H new ATOM 0 HA LEU A 16 -4.639 -3.825 -4.539 1.00 23.32 H new ATOM 0 HB2 LEU A 16 -7.327 -4.085 -5.860 1.00 70.23 H new ATOM 0 HB3 LEU A 16 -6.881 -2.938 -4.612 1.00 70.23 H new ATOM 0 HG LEU A 16 -5.312 -2.969 -7.166 1.00 2.23 H new ATOM 0 HD11 LEU A 16 -6.907 -1.414 -8.206 1.00 32.25 H new ATOM 0 HD12 LEU A 16 -7.616 -3.025 -7.943 1.00 32.25 H new ATOM 0 HD13 LEU A 16 -8.037 -1.679 -6.857 1.00 32.25 H new ATOM 0 HD21 LEU A 16 -5.127 -0.561 -6.695 1.00 62.51 H new ATOM 0 HD22 LEU A 16 -6.141 -0.772 -5.247 1.00 62.51 H new ATOM 0 HD23 LEU A 16 -4.546 -1.556 -5.338 1.00 62.51 H new ATOM 221 N SER A 17 -5.136 -6.476 -3.688 1.00 60.35 N ATOM 222 CA SER A 17 -5.468 -7.463 -2.675 1.00 23.21 C ATOM 223 C SER A 17 -4.813 -7.087 -1.344 1.00 51.12 C ATOM 224 O SER A 17 -5.267 -7.512 -0.283 1.00 10.01 O ATOM 225 CB SER A 17 -5.028 -8.864 -3.105 1.00 41.14 C ATOM 226 OG SER A 17 -3.658 -9.111 -2.800 1.00 11.11 O ATOM 0 H SER A 17 -4.295 -6.684 -4.226 1.00 60.35 H new ATOM 0 HA SER A 17 -6.551 -7.474 -2.550 1.00 23.21 H new ATOM 0 HB2 SER A 17 -5.650 -9.608 -2.607 1.00 41.14 H new ATOM 0 HB3 SER A 17 -5.187 -8.981 -4.177 1.00 41.14 H new ATOM 0 HG SER A 17 -3.417 -10.016 -3.088 1.00 11.11 H new ATOM 232 N GLY A 18 -3.757 -6.294 -1.444 1.00 44.34 N ATOM 233 CA GLY A 18 -3.035 -5.855 -0.262 1.00 20.42 C ATOM 234 C GLY A 18 -1.624 -6.446 -0.230 1.00 60.21 C ATOM 235 O GLY A 18 -1.457 -7.656 -0.084 1.00 61.03 O ATOM 0 H GLY A 18 -3.384 -5.944 -2.326 1.00 44.34 H new ATOM 0 HA2 GLY A 18 -2.978 -4.767 -0.250 1.00 20.42 H new ATOM 0 HA3 GLY A 18 -3.579 -6.155 0.633 1.00 20.42 H new ATOM 239 N THR A 19 -0.645 -5.565 -0.369 1.00 44.31 N ATOM 240 CA THR A 19 0.747 -5.984 -0.358 1.00 54.22 C ATOM 241 C THR A 19 1.443 -5.488 0.910 1.00 1.44 C ATOM 242 O THR A 19 0.837 -4.791 1.724 1.00 63.54 O ATOM 243 CB THR A 19 1.402 -5.482 -1.647 1.00 35.32 C ATOM 244 OG1 THR A 19 0.379 -5.615 -2.630 1.00 40.13 O ATOM 245 CG2 THR A 19 2.514 -6.411 -2.138 1.00 72.02 C ATOM 0 H THR A 19 -0.788 -4.562 -0.490 1.00 44.31 H new ATOM 0 HA THR A 19 0.833 -7.070 -0.334 1.00 54.22 H new ATOM 0 HB THR A 19 1.809 -4.484 -1.483 1.00 35.32 H new ATOM 0 HG1 THR A 19 0.614 -6.335 -3.251 1.00 40.13 H new ATOM 0 HG21 THR A 19 2.945 -6.009 -3.055 1.00 72.02 H new ATOM 0 HG22 THR A 19 3.289 -6.486 -1.375 1.00 72.02 H new ATOM 0 HG23 THR A 19 2.101 -7.400 -2.335 1.00 72.02 H new ATOM 253 N MET A 20 2.706 -5.865 1.040 1.00 64.52 N ATOM 254 CA MET A 20 3.492 -5.468 2.196 1.00 51.44 C ATOM 255 C MET A 20 4.843 -4.890 1.768 1.00 14.21 C ATOM 256 O MET A 20 5.586 -5.526 1.022 1.00 12.33 O ATOM 257 CB MET A 20 3.719 -6.680 3.101 1.00 74.12 C ATOM 258 CG MET A 20 2.394 -7.201 3.662 1.00 53.31 C ATOM 259 SD MET A 20 2.704 -8.383 4.963 1.00 42.41 S ATOM 260 CE MET A 20 1.576 -7.778 6.207 1.00 2.50 C ATOM 0 H MET A 20 3.205 -6.442 0.363 1.00 64.52 H new ATOM 0 HA MET A 20 2.943 -4.698 2.737 1.00 51.44 H new ATOM 0 HB2 MET A 20 4.216 -7.470 2.538 1.00 74.12 H new ATOM 0 HB3 MET A 20 4.383 -6.407 3.921 1.00 74.12 H new ATOM 0 HG2 MET A 20 1.801 -6.371 4.047 1.00 53.31 H new ATOM 0 HG3 MET A 20 1.811 -7.667 2.867 1.00 53.31 H new ATOM 0 HE1 MET A 20 1.642 -8.407 7.095 1.00 2.50 H new ATOM 0 HE2 MET A 20 1.838 -6.753 6.468 1.00 2.50 H new ATOM 0 HE3 MET A 20 0.558 -7.804 5.819 1.00 2.50 H new ATOM 270 N GLU A 21 5.119 -3.691 2.259 1.00 2.30 N ATOM 271 CA GLU A 21 6.367 -3.020 1.937 1.00 4.12 C ATOM 272 C GLU A 21 7.414 -3.300 3.017 1.00 24.11 C ATOM 273 O GLU A 21 7.123 -3.205 4.208 1.00 22.14 O ATOM 274 CB GLU A 21 6.152 -1.516 1.760 1.00 54.31 C ATOM 275 CG GLU A 21 7.470 -0.752 1.899 1.00 23.41 C ATOM 276 CD GLU A 21 7.281 0.732 1.581 1.00 52.11 C ATOM 277 OE1 GLU A 21 7.491 1.585 2.456 1.00 43.44 O ATOM 278 OE2 GLU A 21 6.902 0.987 0.374 1.00 14.05 O ATOM 0 H GLU A 21 4.500 -3.167 2.877 1.00 2.30 H new ATOM 0 HA GLU A 21 6.735 -3.415 0.990 1.00 4.12 H new ATOM 0 HB2 GLU A 21 5.716 -1.320 0.780 1.00 54.31 H new ATOM 0 HB3 GLU A 21 5.440 -1.157 2.503 1.00 54.31 H new ATOM 0 HG2 GLU A 21 7.854 -0.864 2.913 1.00 23.41 H new ATOM 0 HG3 GLU A 21 8.214 -1.179 1.227 1.00 23.41 H new ATOM 286 N TYR A 22 8.611 -3.640 2.562 1.00 43.31 N ATOM 287 CA TYR A 22 9.703 -3.934 3.474 1.00 21.43 C ATOM 288 C TYR A 22 10.964 -3.157 3.090 1.00 72.21 C ATOM 289 O TYR A 22 11.209 -2.909 1.910 1.00 20.34 O ATOM 290 CB TYR A 22 9.979 -5.433 3.332 1.00 12.52 C ATOM 291 CG TYR A 22 8.738 -6.312 3.497 1.00 52.10 C ATOM 292 CD1 TYR A 22 7.937 -6.588 2.407 1.00 45.53 C ATOM 293 CD2 TYR A 22 8.418 -6.830 4.736 1.00 43.33 C ATOM 294 CE1 TYR A 22 6.769 -7.415 2.562 1.00 64.23 C ATOM 295 CE2 TYR A 22 7.250 -7.657 4.891 1.00 63.43 C ATOM 296 CZ TYR A 22 6.483 -7.909 3.796 1.00 25.31 C ATOM 297 OH TYR A 22 5.380 -8.691 3.943 1.00 62.15 O ATOM 0 H TYR A 22 8.849 -3.718 1.573 1.00 43.31 H new ATOM 0 HA TYR A 22 9.438 -3.652 4.493 1.00 21.43 H new ATOM 0 HB2 TYR A 22 10.417 -5.620 2.351 1.00 12.52 H new ATOM 0 HB3 TYR A 22 10.721 -5.727 4.074 1.00 12.52 H new ATOM 0 HD1 TYR A 22 8.187 -6.183 1.437 1.00 45.53 H new ATOM 0 HD2 TYR A 22 9.044 -6.615 5.589 1.00 43.33 H new ATOM 0 HE1 TYR A 22 6.134 -7.638 1.717 1.00 64.23 H new ATOM 0 HE2 TYR A 22 6.988 -8.068 5.855 1.00 63.43 H new ATOM 0 HH TYR A 22 4.833 -8.350 4.681 1.00 62.15 H new ATOM 307 N LYS A 23 11.730 -2.795 4.108 1.00 42.50 N ATOM 308 CA LYS A 23 12.960 -2.051 3.892 1.00 55.34 C ATOM 309 C LYS A 23 14.155 -2.993 4.045 1.00 33.40 C ATOM 310 O LYS A 23 14.401 -3.518 5.130 1.00 73.10 O ATOM 311 CB LYS A 23 13.017 -0.830 4.813 1.00 75.33 C ATOM 312 CG LYS A 23 13.759 0.328 4.143 1.00 54.02 C ATOM 313 CD LYS A 23 14.476 1.193 5.181 1.00 10.11 C ATOM 314 CE LYS A 23 13.598 2.368 5.616 1.00 3.23 C ATOM 315 NZ LYS A 23 13.293 3.243 4.462 1.00 61.42 N ATOM 0 H LYS A 23 11.523 -3.003 5.085 1.00 42.50 H new ATOM 0 HA LYS A 23 12.993 -1.657 2.876 1.00 55.34 H new ATOM 0 HB2 LYS A 23 12.005 -0.517 5.071 1.00 75.33 H new ATOM 0 HB3 LYS A 23 13.516 -1.096 5.745 1.00 75.33 H new ATOM 0 HG2 LYS A 23 14.483 -0.064 3.429 1.00 54.02 H new ATOM 0 HG3 LYS A 23 13.054 0.939 3.580 1.00 54.02 H new ATOM 0 HD2 LYS A 23 14.734 0.587 6.049 1.00 10.11 H new ATOM 0 HD3 LYS A 23 15.411 1.568 4.764 1.00 10.11 H new ATOM 0 HE2 LYS A 23 12.671 1.995 6.052 1.00 3.23 H new ATOM 0 HE3 LYS A 23 14.106 2.942 6.391 1.00 3.23 H new ATOM 0 HZ1 LYS A 23 13.547 4.225 4.694 1.00 61.42 H new ATOM 0 HZ2 LYS A 23 13.840 2.930 3.635 1.00 61.42 H new ATOM 0 HZ3 LYS A 23 12.277 3.190 4.245 1.00 61.42 H new ATOM 328 N LEU A 24 14.866 -3.180 2.943 1.00 40.31 N ATOM 329 CA LEU A 24 16.030 -4.050 2.941 1.00 34.13 C ATOM 330 C LEU A 24 17.294 -3.204 3.098 1.00 4.32 C ATOM 331 O LEU A 24 17.633 -2.418 2.215 1.00 43.23 O ATOM 332 CB LEU A 24 16.034 -4.937 1.694 1.00 13.24 C ATOM 333 CG LEU A 24 17.263 -5.829 1.510 1.00 32.10 C ATOM 334 CD1 LEU A 24 18.363 -5.094 0.742 1.00 24.51 C ATOM 335 CD2 LEU A 24 17.760 -6.362 2.855 1.00 3.02 C ATOM 0 H LEU A 24 14.658 -2.744 2.045 1.00 40.31 H new ATOM 0 HA LEU A 24 15.996 -4.733 3.790 1.00 34.13 H new ATOM 0 HB2 LEU A 24 15.149 -5.573 1.722 1.00 13.24 H new ATOM 0 HB3 LEU A 24 15.939 -4.297 0.817 1.00 13.24 H new ATOM 0 HG LEU A 24 16.973 -6.692 0.910 1.00 32.10 H new ATOM 0 HD11 LEU A 24 19.225 -5.750 0.625 1.00 24.51 H new ATOM 0 HD12 LEU A 24 17.990 -4.806 -0.241 1.00 24.51 H new ATOM 0 HD13 LEU A 24 18.658 -4.202 1.294 1.00 24.51 H new ATOM 0 HD21 LEU A 24 18.634 -6.993 2.696 1.00 3.02 H new ATOM 0 HD22 LEU A 24 18.029 -5.526 3.501 1.00 3.02 H new ATOM 0 HD23 LEU A 24 16.972 -6.947 3.328 1.00 3.02 H new ATOM 347 N ILE A 25 17.958 -3.393 4.229 1.00 1.01 N ATOM 348 CA ILE A 25 19.178 -2.657 4.513 1.00 1.32 C ATOM 349 C ILE A 25 20.355 -3.632 4.573 1.00 22.34 C ATOM 350 O ILE A 25 20.310 -4.621 5.304 1.00 52.02 O ATOM 351 CB ILE A 25 19.013 -1.814 5.779 1.00 13.42 C ATOM 352 CG1 ILE A 25 17.894 -0.784 5.610 1.00 40.42 C ATOM 353 CG2 ILE A 25 20.337 -1.161 6.180 1.00 2.30 C ATOM 354 CD1 ILE A 25 17.239 -0.460 6.954 1.00 52.21 C ATOM 0 H ILE A 25 17.674 -4.046 4.960 1.00 1.01 H new ATOM 0 HA ILE A 25 19.391 -1.949 3.712 1.00 1.32 H new ATOM 0 HB ILE A 25 18.721 -2.476 6.594 1.00 13.42 H new ATOM 0 HG12 ILE A 25 18.298 0.127 5.169 1.00 40.42 H new ATOM 0 HG13 ILE A 25 17.143 -1.167 4.919 1.00 40.42 H new ATOM 0 HG21 ILE A 25 20.191 -0.568 7.083 1.00 2.30 H new ATOM 0 HG22 ILE A 25 21.081 -1.934 6.370 1.00 2.30 H new ATOM 0 HG23 ILE A 25 20.683 -0.515 5.373 1.00 2.30 H new ATOM 0 HD11 ILE A 25 16.447 0.274 6.805 1.00 52.21 H new ATOM 0 HD12 ILE A 25 16.815 -1.369 7.381 1.00 52.21 H new ATOM 0 HD13 ILE A 25 17.987 -0.054 7.635 1.00 52.21 H new ATOM 366 N LEU A 26 21.381 -3.320 3.796 1.00 64.22 N ATOM 367 CA LEU A 26 22.569 -4.157 3.751 1.00 35.15 C ATOM 368 C LEU A 26 23.760 -3.374 4.306 1.00 42.01 C ATOM 369 O LEU A 26 24.225 -2.420 3.683 1.00 31.42 O ATOM 370 CB LEU A 26 22.791 -4.696 2.337 1.00 24.41 C ATOM 371 CG LEU A 26 21.529 -5.047 1.546 1.00 3.22 C ATOM 372 CD1 LEU A 26 21.070 -3.862 0.694 1.00 71.20 C ATOM 373 CD2 LEU A 26 21.741 -6.309 0.707 1.00 14.33 C ATOM 0 H LEU A 26 21.415 -2.499 3.192 1.00 64.22 H new ATOM 0 HA LEU A 26 22.442 -5.035 4.385 1.00 35.15 H new ATOM 0 HB2 LEU A 26 23.355 -3.955 1.772 1.00 24.41 H new ATOM 0 HB3 LEU A 26 23.414 -5.588 2.403 1.00 24.41 H new ATOM 0 HG LEU A 26 20.730 -5.263 2.255 1.00 3.22 H new ATOM 0 HD11 LEU A 26 20.172 -4.137 0.142 1.00 71.20 H new ATOM 0 HD12 LEU A 26 20.852 -3.012 1.340 1.00 71.20 H new ATOM 0 HD13 LEU A 26 21.859 -3.591 -0.008 1.00 71.20 H new ATOM 0 HD21 LEU A 26 20.829 -6.536 0.155 1.00 14.33 H new ATOM 0 HD22 LEU A 26 22.559 -6.146 0.005 1.00 14.33 H new ATOM 0 HD23 LEU A 26 21.986 -7.145 1.362 1.00 14.33 H new ATOM 385 N ASN A 27 24.221 -3.806 5.471 1.00 52.23 N ATOM 386 CA ASN A 27 25.350 -3.157 6.116 1.00 35.12 C ATOM 387 C ASN A 27 26.598 -4.024 5.942 1.00 43.20 C ATOM 388 O ASN A 27 26.780 -5.008 6.658 1.00 42.45 O ATOM 389 CB ASN A 27 25.101 -2.982 7.616 1.00 73.34 C ATOM 390 CG ASN A 27 24.588 -1.575 7.926 1.00 41.40 C ATOM 391 OD1 ASN A 27 25.146 -0.575 7.503 1.00 24.44 O ATOM 392 ND2 ASN A 27 23.497 -1.552 8.686 1.00 50.41 N ATOM 0 H ASN A 27 23.833 -4.597 5.985 1.00 52.23 H new ATOM 0 HA ASN A 27 25.485 -2.178 5.656 1.00 35.12 H new ATOM 0 HB2 ASN A 27 24.375 -3.721 7.956 1.00 73.34 H new ATOM 0 HB3 ASN A 27 26.024 -3.166 8.165 1.00 73.34 H new ATOM 0 HD21 ASN A 27 23.077 -0.660 8.949 1.00 50.41 H new ATOM 0 HD22 ASN A 27 23.080 -2.426 9.006 1.00 50.41 H new ATOM 399 N GLY A 28 27.426 -3.627 4.987 1.00 45.00 N ATOM 400 CA GLY A 28 28.653 -4.355 4.710 1.00 71.23 C ATOM 401 C GLY A 28 29.851 -3.406 4.640 1.00 54.31 C ATOM 402 O GLY A 28 29.698 -2.231 4.307 1.00 71.51 O ATOM 0 H GLY A 28 27.271 -2.811 4.395 1.00 45.00 H new ATOM 0 HA2 GLY A 28 28.821 -5.101 5.487 1.00 71.23 H new ATOM 0 HA3 GLY A 28 28.556 -4.893 3.767 1.00 71.23 H new ATOM 406 N LYS A 29 31.016 -3.950 4.959 1.00 13.44 N ATOM 407 CA LYS A 29 32.239 -3.166 4.937 1.00 11.41 C ATOM 408 C LYS A 29 32.579 -2.800 3.491 1.00 53.41 C ATOM 409 O LYS A 29 33.067 -1.703 3.223 1.00 64.22 O ATOM 410 CB LYS A 29 33.363 -3.906 5.665 1.00 41.24 C ATOM 411 CG LYS A 29 32.886 -4.433 7.019 1.00 14.03 C ATOM 412 CD LYS A 29 32.282 -3.309 7.863 1.00 1.43 C ATOM 413 CE LYS A 29 30.774 -3.198 7.632 1.00 72.14 C ATOM 414 NZ LYS A 29 30.088 -2.775 8.873 1.00 23.23 N ATOM 0 H LYS A 29 31.139 -4.924 5.234 1.00 13.44 H new ATOM 0 HA LYS A 29 32.102 -2.230 5.479 1.00 11.41 H new ATOM 0 HB2 LYS A 29 33.714 -4.736 5.051 1.00 41.24 H new ATOM 0 HB3 LYS A 29 34.210 -3.236 5.810 1.00 41.24 H new ATOM 0 HG2 LYS A 29 32.144 -5.217 6.867 1.00 14.03 H new ATOM 0 HG3 LYS A 29 33.722 -4.884 7.553 1.00 14.03 H new ATOM 0 HD2 LYS A 29 32.479 -3.496 8.919 1.00 1.43 H new ATOM 0 HD3 LYS A 29 32.762 -2.363 7.612 1.00 1.43 H new ATOM 0 HE2 LYS A 29 30.574 -2.480 6.837 1.00 72.14 H new ATOM 0 HE3 LYS A 29 30.379 -4.159 7.301 1.00 72.14 H new ATOM 0 HZ1 LYS A 29 29.065 -2.705 8.698 1.00 23.23 H new ATOM 0 HZ2 LYS A 29 30.264 -3.474 9.622 1.00 23.23 H new ATOM 0 HZ3 LYS A 29 30.452 -1.848 9.172 1.00 23.23 H new ATOM 427 N THR A 30 32.306 -3.739 2.597 1.00 45.21 N ATOM 428 CA THR A 30 32.577 -3.529 1.185 1.00 43.11 C ATOM 429 C THR A 30 31.285 -3.191 0.439 1.00 61.24 C ATOM 430 O THR A 30 31.321 -2.566 -0.620 1.00 53.01 O ATOM 431 CB THR A 30 33.281 -4.777 0.648 1.00 52.22 C ATOM 432 OG1 THR A 30 32.273 -5.783 0.677 1.00 74.40 O ATOM 433 CG2 THR A 30 34.356 -5.299 1.602 1.00 24.24 C ATOM 0 H THR A 30 31.900 -4.647 2.823 1.00 45.21 H new ATOM 0 HA THR A 30 33.237 -2.675 1.031 1.00 43.11 H new ATOM 0 HB THR A 30 33.732 -4.552 -0.318 1.00 52.22 H new ATOM 0 HG1 THR A 30 32.643 -6.627 0.343 1.00 74.40 H new ATOM 0 HG21 THR A 30 34.824 -6.185 1.173 1.00 24.24 H new ATOM 0 HG22 THR A 30 35.111 -4.528 1.756 1.00 24.24 H new ATOM 0 HG23 THR A 30 33.900 -5.556 2.558 1.00 24.24 H new ATOM 441 N LEU A 31 30.174 -3.620 1.020 1.00 44.01 N ATOM 442 CA LEU A 31 28.873 -3.371 0.423 1.00 2.11 C ATOM 443 C LEU A 31 27.930 -2.802 1.485 1.00 22.34 C ATOM 444 O LEU A 31 27.494 -3.522 2.383 1.00 51.15 O ATOM 445 CB LEU A 31 28.344 -4.636 -0.255 1.00 71.03 C ATOM 446 CG LEU A 31 27.136 -4.448 -1.176 1.00 23.30 C ATOM 447 CD1 LEU A 31 27.054 -3.008 -1.686 1.00 22.15 C ATOM 448 CD2 LEU A 31 27.158 -5.461 -2.322 1.00 70.52 C ATOM 0 H LEU A 31 30.148 -4.138 1.898 1.00 44.01 H new ATOM 0 HA LEU A 31 28.953 -2.624 -0.366 1.00 2.11 H new ATOM 0 HB2 LEU A 31 29.153 -5.079 -0.836 1.00 71.03 H new ATOM 0 HB3 LEU A 31 28.077 -5.355 0.519 1.00 71.03 H new ATOM 0 HG LEU A 31 26.232 -4.636 -0.597 1.00 23.30 H new ATOM 0 HD11 LEU A 31 26.187 -2.902 -2.338 1.00 22.15 H new ATOM 0 HD12 LEU A 31 26.957 -2.327 -0.840 1.00 22.15 H new ATOM 0 HD13 LEU A 31 27.959 -2.767 -2.244 1.00 22.15 H new ATOM 0 HD21 LEU A 31 26.289 -5.306 -2.961 1.00 70.52 H new ATOM 0 HD22 LEU A 31 28.068 -5.328 -2.907 1.00 70.52 H new ATOM 0 HD23 LEU A 31 27.133 -6.472 -1.915 1.00 70.52 H new ATOM 460 N LYS A 32 27.643 -1.516 1.349 1.00 65.03 N ATOM 461 CA LYS A 32 26.760 -0.843 2.286 1.00 42.45 C ATOM 462 C LYS A 32 25.745 -0.002 1.508 1.00 2.15 C ATOM 463 O LYS A 32 26.124 0.854 0.710 1.00 30.03 O ATOM 464 CB LYS A 32 27.572 -0.040 3.305 1.00 74.13 C ATOM 465 CG LYS A 32 28.872 0.476 2.686 1.00 42.21 C ATOM 466 CD LYS A 32 29.757 1.140 3.743 1.00 15.31 C ATOM 467 CE LYS A 32 31.239 0.956 3.412 1.00 11.12 C ATOM 468 NZ LYS A 32 32.082 1.416 4.538 1.00 43.30 N ATOM 0 H LYS A 32 28.006 -0.922 0.604 1.00 65.03 H new ATOM 0 HA LYS A 32 26.194 -1.571 2.867 1.00 42.45 H new ATOM 0 HB2 LYS A 32 26.979 0.800 3.667 1.00 74.13 H new ATOM 0 HB3 LYS A 32 27.799 -0.665 4.168 1.00 74.13 H new ATOM 0 HG2 LYS A 32 29.411 -0.350 2.222 1.00 42.21 H new ATOM 0 HG3 LYS A 32 28.644 1.191 1.896 1.00 42.21 H new ATOM 0 HD2 LYS A 32 29.523 2.203 3.802 1.00 15.31 H new ATOM 0 HD3 LYS A 32 29.544 0.712 4.722 1.00 15.31 H new ATOM 0 HE2 LYS A 32 31.443 -0.094 3.202 1.00 11.12 H new ATOM 0 HE3 LYS A 32 31.489 1.516 2.511 1.00 11.12 H new ATOM 0 HZ1 LYS A 32 33.085 1.284 4.297 1.00 43.30 H new ATOM 0 HZ2 LYS A 32 31.899 2.424 4.720 1.00 43.30 H new ATOM 0 HZ3 LYS A 32 31.855 0.864 5.390 1.00 43.30 H new ATOM 481 N GLY A 33 24.475 -0.275 1.769 1.00 22.21 N ATOM 482 CA GLY A 33 23.403 0.445 1.104 1.00 11.32 C ATOM 483 C GLY A 33 22.043 0.080 1.703 1.00 1.54 C ATOM 484 O GLY A 33 21.970 -0.670 2.675 1.00 3.14 O ATOM 0 H GLY A 33 24.165 -0.985 2.432 1.00 22.21 H new ATOM 0 HA2 GLY A 33 23.569 1.518 1.197 1.00 11.32 H new ATOM 0 HA3 GLY A 33 23.410 0.212 0.039 1.00 11.32 H new ATOM 488 N GLU A 34 20.999 0.628 1.099 1.00 45.54 N ATOM 489 CA GLU A 34 19.646 0.370 1.560 1.00 2.13 C ATOM 490 C GLU A 34 18.692 0.253 0.370 1.00 64.33 C ATOM 491 O GLU A 34 19.060 0.575 -0.759 1.00 64.50 O ATOM 492 CB GLU A 34 19.181 1.458 2.530 1.00 32.13 C ATOM 493 CG GLU A 34 18.730 2.710 1.775 1.00 30.20 C ATOM 494 CD GLU A 34 19.196 3.979 2.491 1.00 54.41 C ATOM 495 OE1 GLU A 34 20.401 4.155 2.721 1.00 64.24 O ATOM 496 OE2 GLU A 34 18.254 4.801 2.811 1.00 42.33 O ATOM 0 H GLU A 34 21.063 1.250 0.293 1.00 45.54 H new ATOM 0 HA GLU A 34 19.641 -0.578 2.098 1.00 2.13 H new ATOM 0 HB2 GLU A 34 18.359 1.080 3.139 1.00 32.13 H new ATOM 0 HB3 GLU A 34 19.992 1.713 3.212 1.00 32.13 H new ATOM 0 HG2 GLU A 34 19.131 2.692 0.761 1.00 30.20 H new ATOM 0 HG3 GLU A 34 17.643 2.715 1.688 1.00 30.20 H new ATOM 504 N THR A 35 17.486 -0.209 0.662 1.00 33.34 N ATOM 505 CA THR A 35 16.476 -0.373 -0.370 1.00 64.20 C ATOM 506 C THR A 35 15.158 -0.847 0.244 1.00 55.20 C ATOM 507 O THR A 35 15.092 -1.134 1.438 1.00 24.12 O ATOM 508 CB THR A 35 17.032 -1.329 -1.427 1.00 64.22 C ATOM 509 OG1 THR A 35 15.879 -1.768 -2.140 1.00 10.42 O ATOM 510 CG2 THR A 35 17.602 -2.611 -0.816 1.00 2.01 C ATOM 0 H THR A 35 17.185 -0.475 1.599 1.00 33.34 H new ATOM 0 HA THR A 35 16.249 0.576 -0.856 1.00 64.20 H new ATOM 0 HB THR A 35 17.809 -0.823 -2.000 1.00 64.22 H new ATOM 0 HG1 THR A 35 16.156 -2.303 -2.913 1.00 10.42 H new ATOM 0 HG21 THR A 35 17.983 -3.254 -1.609 1.00 2.01 H new ATOM 0 HG22 THR A 35 18.413 -2.359 -0.132 1.00 2.01 H new ATOM 0 HG23 THR A 35 16.817 -3.134 -0.270 1.00 2.01 H new ATOM 518 N THR A 36 14.139 -0.913 -0.601 1.00 32.44 N ATOM 519 CA THR A 36 12.825 -1.347 -0.156 1.00 23.20 C ATOM 520 C THR A 36 12.123 -2.140 -1.260 1.00 43.34 C ATOM 521 O THR A 36 12.323 -1.872 -2.444 1.00 53.23 O ATOM 522 CB THR A 36 12.046 -0.110 0.293 1.00 13.23 C ATOM 523 OG1 THR A 36 11.664 0.522 -0.926 1.00 23.22 O ATOM 524 CG2 THR A 36 12.936 0.924 0.986 1.00 63.13 C ATOM 0 H THR A 36 14.197 -0.673 -1.591 1.00 32.44 H new ATOM 0 HA THR A 36 12.899 -2.028 0.692 1.00 23.20 H new ATOM 0 HB THR A 36 11.246 -0.412 0.969 1.00 13.23 H new ATOM 0 HG1 THR A 36 11.152 1.334 -0.727 1.00 23.22 H new ATOM 0 HG21 THR A 36 12.333 1.782 1.284 1.00 63.13 H new ATOM 0 HG22 THR A 36 13.393 0.477 1.869 1.00 63.13 H new ATOM 0 HG23 THR A 36 13.717 1.251 0.299 1.00 63.13 H new ATOM 532 N THR A 37 11.316 -3.100 -0.834 1.00 11.30 N ATOM 533 CA THR A 37 10.583 -3.933 -1.772 1.00 61.00 C ATOM 534 C THR A 37 9.227 -4.330 -1.186 1.00 12.10 C ATOM 535 O THR A 37 9.100 -4.520 0.023 1.00 44.03 O ATOM 536 CB THR A 37 11.465 -5.131 -2.129 1.00 21.23 C ATOM 537 OG1 THR A 37 10.791 -5.745 -3.224 1.00 35.14 O ATOM 538 CG2 THR A 37 11.462 -6.206 -1.039 1.00 53.34 C ATOM 0 H THR A 37 11.153 -3.320 0.149 1.00 11.30 H new ATOM 0 HA THR A 37 10.358 -3.391 -2.691 1.00 61.00 H new ATOM 0 HB THR A 37 12.486 -4.791 -2.301 1.00 21.23 H new ATOM 0 HG1 THR A 37 11.419 -6.311 -3.719 1.00 35.14 H new ATOM 0 HG21 THR A 37 12.103 -7.034 -1.342 1.00 53.34 H new ATOM 0 HG22 THR A 37 11.835 -5.781 -0.107 1.00 53.34 H new ATOM 0 HG23 THR A 37 10.446 -6.570 -0.890 1.00 53.34 H new ATOM 546 N CYS A 38 8.247 -4.443 -2.070 1.00 75.30 N ATOM 547 CA CYS A 38 6.904 -4.814 -1.656 1.00 21.25 C ATOM 548 C CYS A 38 6.596 -6.205 -2.213 1.00 25.43 C ATOM 549 O CYS A 38 7.021 -6.544 -3.316 1.00 41.24 O ATOM 550 CB CYS A 38 5.869 -3.779 -2.100 1.00 74.44 C ATOM 551 SG CYS A 38 4.769 -3.173 -0.769 1.00 71.03 S ATOM 0 H CYS A 38 8.356 -4.284 -3.072 1.00 75.30 H new ATOM 0 HA CYS A 38 6.851 -4.840 -0.568 1.00 21.25 H new ATOM 0 HB2 CYS A 38 6.391 -2.928 -2.536 1.00 74.44 H new ATOM 0 HB3 CYS A 38 5.256 -4.215 -2.889 1.00 74.44 H new ATOM 0 HG CYS A 38 3.937 -2.302 -1.257 1.00 71.03 H new ATOM 556 N ALA A 39 5.861 -6.974 -1.424 1.00 35.42 N ATOM 557 CA ALA A 39 5.491 -8.321 -1.825 1.00 21.45 C ATOM 558 C ALA A 39 4.113 -8.659 -1.252 1.00 22.42 C ATOM 559 O ALA A 39 3.664 -8.031 -0.295 1.00 14.12 O ATOM 560 CB ALA A 39 6.570 -9.305 -1.366 1.00 41.53 C ATOM 0 H ALA A 39 5.511 -6.690 -0.509 1.00 35.42 H new ATOM 0 HA ALA A 39 5.424 -8.393 -2.911 1.00 21.45 H new ATOM 0 HB1 ALA A 39 6.293 -10.315 -1.667 1.00 41.53 H new ATOM 0 HB2 ALA A 39 7.523 -9.039 -1.823 1.00 41.53 H new ATOM 0 HB3 ALA A 39 6.664 -9.262 -0.281 1.00 41.53 H new ATOM 566 N VAL A 40 3.481 -9.651 -1.862 1.00 23.43 N ATOM 567 CA VAL A 40 2.164 -10.080 -1.424 1.00 73.54 C ATOM 568 C VAL A 40 2.278 -10.741 -0.049 1.00 15.31 C ATOM 569 O VAL A 40 1.387 -10.598 0.788 1.00 61.13 O ATOM 570 CB VAL A 40 1.535 -10.996 -2.477 1.00 25.21 C ATOM 571 CG1 VAL A 40 2.221 -12.364 -2.493 1.00 41.22 C ATOM 572 CG2 VAL A 40 0.029 -11.140 -2.250 1.00 24.45 C ATOM 0 H VAL A 40 3.857 -10.170 -2.656 1.00 23.43 H new ATOM 0 HA VAL A 40 1.499 -9.223 -1.318 1.00 73.54 H new ATOM 0 HB VAL A 40 1.683 -10.535 -3.454 1.00 25.21 H new ATOM 0 HG11 VAL A 40 1.755 -12.996 -3.250 1.00 41.22 H new ATOM 0 HG12 VAL A 40 3.278 -12.238 -2.726 1.00 41.22 H new ATOM 0 HG13 VAL A 40 2.118 -12.834 -1.515 1.00 41.22 H new ATOM 0 HG21 VAL A 40 -0.393 -11.796 -3.012 1.00 24.45 H new ATOM 0 HG22 VAL A 40 -0.151 -11.567 -1.263 1.00 24.45 H new ATOM 0 HG23 VAL A 40 -0.444 -10.160 -2.313 1.00 24.45 H new ATOM 582 N ASP A 41 3.381 -11.449 0.143 1.00 74.24 N ATOM 583 CA ASP A 41 3.622 -12.132 1.402 1.00 4.23 C ATOM 584 C ASP A 41 5.093 -11.969 1.791 1.00 22.23 C ATOM 585 O ASP A 41 5.967 -11.928 0.926 1.00 12.35 O ATOM 586 CB ASP A 41 3.328 -13.628 1.283 1.00 34.32 C ATOM 587 CG ASP A 41 1.855 -14.012 1.443 1.00 22.13 C ATOM 588 OD1 ASP A 41 1.390 -14.309 2.554 1.00 54.53 O ATOM 589 OD2 ASP A 41 1.167 -13.999 0.353 1.00 54.05 O ATOM 0 H ASP A 41 4.118 -11.564 -0.553 1.00 74.24 H new ATOM 0 HA ASP A 41 2.965 -11.695 2.154 1.00 4.23 H new ATOM 0 HB2 ASP A 41 3.675 -13.975 0.310 1.00 34.32 H new ATOM 0 HB3 ASP A 41 3.910 -14.159 2.036 1.00 34.32 H new ATOM 595 N ALA A 42 5.321 -11.882 3.093 1.00 5.45 N ATOM 596 CA ALA A 42 6.671 -11.724 3.608 1.00 64.53 C ATOM 597 C ALA A 42 7.540 -12.881 3.109 1.00 21.14 C ATOM 598 O ALA A 42 8.767 -12.792 3.124 1.00 12.10 O ATOM 599 CB ALA A 42 6.630 -11.642 5.135 1.00 73.41 C ATOM 0 H ALA A 42 4.594 -11.918 3.807 1.00 5.45 H new ATOM 0 HA ALA A 42 7.114 -10.797 3.245 1.00 64.53 H new ATOM 0 HB1 ALA A 42 7.643 -11.524 5.520 1.00 73.41 H new ATOM 0 HB2 ALA A 42 6.024 -10.788 5.437 1.00 73.41 H new ATOM 0 HB3 ALA A 42 6.194 -12.556 5.537 1.00 73.41 H new ATOM 605 N ALA A 43 6.870 -13.940 2.680 1.00 31.32 N ATOM 606 CA ALA A 43 7.565 -15.113 2.178 1.00 24.23 C ATOM 607 C ALA A 43 8.274 -14.759 0.869 1.00 33.51 C ATOM 608 O ALA A 43 9.439 -15.105 0.676 1.00 15.35 O ATOM 609 CB ALA A 43 6.571 -16.264 2.011 1.00 51.22 C ATOM 0 H ALA A 43 5.852 -14.010 2.670 1.00 31.32 H new ATOM 0 HA ALA A 43 8.326 -15.441 2.887 1.00 24.23 H new ATOM 0 HB1 ALA A 43 7.093 -17.144 1.634 1.00 51.22 H new ATOM 0 HB2 ALA A 43 6.118 -16.496 2.975 1.00 51.22 H new ATOM 0 HB3 ALA A 43 5.793 -15.974 1.305 1.00 51.22 H new ATOM 615 N THR A 44 7.541 -14.075 0.003 1.00 32.41 N ATOM 616 CA THR A 44 8.084 -13.671 -1.282 1.00 63.04 C ATOM 617 C THR A 44 9.150 -12.590 -1.094 1.00 43.14 C ATOM 618 O THR A 44 10.203 -12.634 -1.728 1.00 64.45 O ATOM 619 CB THR A 44 6.919 -13.228 -2.170 1.00 24.10 C ATOM 620 OG1 THR A 44 6.258 -14.444 -2.508 1.00 24.31 O ATOM 621 CG2 THR A 44 7.388 -12.672 -3.516 1.00 54.03 C ATOM 0 H THR A 44 6.575 -13.790 0.166 1.00 32.41 H new ATOM 0 HA THR A 44 8.590 -14.500 -1.776 1.00 63.04 H new ATOM 0 HB THR A 44 6.333 -12.471 -1.649 1.00 24.10 H new ATOM 0 HG1 THR A 44 5.488 -14.249 -3.082 1.00 24.31 H new ATOM 0 HG21 THR A 44 6.523 -12.372 -4.107 1.00 54.03 H new ATOM 0 HG22 THR A 44 8.030 -11.807 -3.349 1.00 54.03 H new ATOM 0 HG23 THR A 44 7.946 -13.440 -4.052 1.00 54.03 H new ATOM 629 N ALA A 45 8.840 -11.644 -0.220 1.00 41.12 N ATOM 630 CA ALA A 45 9.758 -10.553 0.059 1.00 4.03 C ATOM 631 C ALA A 45 11.020 -11.111 0.720 1.00 24.11 C ATOM 632 O ALA A 45 12.125 -10.638 0.456 1.00 72.54 O ATOM 633 CB ALA A 45 9.059 -9.507 0.929 1.00 12.32 C ATOM 0 H ALA A 45 7.966 -11.610 0.304 1.00 41.12 H new ATOM 0 HA ALA A 45 10.060 -10.060 -0.865 1.00 4.03 H new ATOM 0 HB1 ALA A 45 9.748 -8.689 1.138 1.00 12.32 H new ATOM 0 HB2 ALA A 45 8.186 -9.121 0.403 1.00 12.32 H new ATOM 0 HB3 ALA A 45 8.744 -9.965 1.867 1.00 12.32 H new ATOM 639 N GLU A 46 10.814 -12.109 1.567 1.00 5.11 N ATOM 640 CA GLU A 46 11.922 -12.736 2.268 1.00 70.41 C ATOM 641 C GLU A 46 12.937 -13.291 1.267 1.00 63.32 C ATOM 642 O GLU A 46 14.134 -13.028 1.380 1.00 35.32 O ATOM 643 CB GLU A 46 11.423 -13.835 3.209 1.00 5.31 C ATOM 644 CG GLU A 46 12.587 -14.682 3.728 1.00 70.34 C ATOM 645 CD GLU A 46 12.253 -15.299 5.087 1.00 33.04 C ATOM 646 OE1 GLU A 46 12.335 -14.612 6.117 1.00 63.54 O ATOM 647 OE2 GLU A 46 11.895 -16.538 5.051 1.00 0.10 O ATOM 0 H GLU A 46 9.897 -12.499 1.784 1.00 5.11 H new ATOM 0 HA GLU A 46 12.417 -11.979 2.876 1.00 70.41 H new ATOM 0 HB2 GLU A 46 10.892 -13.386 4.049 1.00 5.31 H new ATOM 0 HB3 GLU A 46 10.710 -14.472 2.685 1.00 5.31 H new ATOM 0 HG2 GLU A 46 12.814 -15.472 3.012 1.00 70.34 H new ATOM 0 HG3 GLU A 46 13.481 -14.064 3.815 1.00 70.34 H new ATOM 655 N LYS A 47 12.423 -14.049 0.309 1.00 0.03 N ATOM 656 CA LYS A 47 13.270 -14.643 -0.711 1.00 30.21 C ATOM 657 C LYS A 47 13.965 -13.533 -1.501 1.00 54.44 C ATOM 658 O LYS A 47 15.068 -13.724 -2.009 1.00 64.43 O ATOM 659 CB LYS A 47 12.462 -15.606 -1.583 1.00 64.34 C ATOM 660 CG LYS A 47 11.920 -14.897 -2.826 1.00 14.14 C ATOM 661 CD LYS A 47 10.566 -15.477 -3.240 1.00 52.45 C ATOM 662 CE LYS A 47 10.746 -16.674 -4.175 1.00 74.43 C ATOM 663 NZ LYS A 47 11.258 -17.844 -3.427 1.00 14.15 N ATOM 0 H LYS A 47 11.430 -14.265 0.218 1.00 0.03 H new ATOM 0 HA LYS A 47 14.054 -15.246 -0.252 1.00 30.21 H new ATOM 0 HB2 LYS A 47 13.090 -16.445 -1.883 1.00 64.34 H new ATOM 0 HB3 LYS A 47 11.635 -16.018 -1.005 1.00 64.34 H new ATOM 0 HG2 LYS A 47 11.817 -13.831 -2.625 1.00 14.14 H new ATOM 0 HG3 LYS A 47 12.630 -15.000 -3.647 1.00 14.14 H new ATOM 0 HD2 LYS A 47 10.011 -15.784 -2.353 1.00 52.45 H new ATOM 0 HD3 LYS A 47 9.974 -14.709 -3.737 1.00 52.45 H new ATOM 0 HE2 LYS A 47 9.794 -16.923 -4.644 1.00 74.43 H new ATOM 0 HE3 LYS A 47 11.438 -16.416 -4.976 1.00 74.43 H new ATOM 0 HZ1 LYS A 47 10.972 -18.718 -3.912 1.00 14.15 H new ATOM 0 HZ2 LYS A 47 12.296 -17.799 -3.379 1.00 14.15 H new ATOM 0 HZ3 LYS A 47 10.867 -17.838 -2.463 1.00 14.15 H new ATOM 676 N VAL A 48 13.289 -12.395 -1.581 1.00 24.43 N ATOM 677 CA VAL A 48 13.828 -11.254 -2.301 1.00 11.02 C ATOM 678 C VAL A 48 14.961 -10.630 -1.484 1.00 40.40 C ATOM 679 O VAL A 48 15.988 -10.240 -2.037 1.00 63.53 O ATOM 680 CB VAL A 48 12.708 -10.263 -2.624 1.00 34.21 C ATOM 681 CG1 VAL A 48 13.278 -8.935 -3.126 1.00 21.23 C ATOM 682 CG2 VAL A 48 11.726 -10.856 -3.637 1.00 65.30 C ATOM 0 H VAL A 48 12.373 -12.240 -1.159 1.00 24.43 H new ATOM 0 HA VAL A 48 14.251 -11.569 -3.255 1.00 11.02 H new ATOM 0 HB VAL A 48 12.160 -10.065 -1.703 1.00 34.21 H new ATOM 0 HG11 VAL A 48 12.461 -8.249 -3.348 1.00 21.23 H new ATOM 0 HG12 VAL A 48 13.918 -8.500 -2.358 1.00 21.23 H new ATOM 0 HG13 VAL A 48 13.862 -9.108 -4.030 1.00 21.23 H new ATOM 0 HG21 VAL A 48 10.940 -10.131 -3.849 1.00 65.30 H new ATOM 0 HG22 VAL A 48 12.255 -11.097 -4.559 1.00 65.30 H new ATOM 0 HG23 VAL A 48 11.282 -11.763 -3.226 1.00 65.30 H new ATOM 692 N PHE A 49 14.736 -10.553 -0.181 1.00 34.43 N ATOM 693 CA PHE A 49 15.725 -9.983 0.718 1.00 51.02 C ATOM 694 C PHE A 49 16.962 -10.879 0.812 1.00 55.01 C ATOM 695 O PHE A 49 18.089 -10.388 0.825 1.00 40.55 O ATOM 696 CB PHE A 49 15.073 -9.887 2.098 1.00 33.55 C ATOM 697 CG PHE A 49 16.071 -9.771 3.252 1.00 65.42 C ATOM 698 CD1 PHE A 49 17.255 -9.128 3.064 1.00 11.23 C ATOM 699 CD2 PHE A 49 15.776 -10.312 4.464 1.00 10.23 C ATOM 700 CE1 PHE A 49 18.182 -9.020 4.135 1.00 72.25 C ATOM 701 CE2 PHE A 49 16.703 -10.204 5.535 1.00 70.24 C ATOM 702 CZ PHE A 49 17.886 -9.561 5.347 1.00 4.41 C ATOM 0 H PHE A 49 13.882 -10.876 0.274 1.00 34.43 H new ATOM 0 HA PHE A 49 16.043 -9.008 0.350 1.00 51.02 H new ATOM 0 HB2 PHE A 49 14.411 -9.022 2.116 1.00 33.55 H new ATOM 0 HB3 PHE A 49 14.451 -10.768 2.257 1.00 33.55 H new ATOM 0 HD1 PHE A 49 17.490 -8.700 2.101 1.00 11.23 H new ATOM 0 HD2 PHE A 49 14.837 -10.824 4.613 1.00 10.23 H new ATOM 0 HE1 PHE A 49 19.122 -8.508 3.987 1.00 72.25 H new ATOM 0 HE2 PHE A 49 16.468 -10.632 6.498 1.00 70.24 H new ATOM 0 HZ PHE A 49 18.591 -9.480 6.161 1.00 4.41 H new ATOM 712 N LYS A 50 16.708 -12.178 0.875 1.00 3.14 N ATOM 713 CA LYS A 50 17.787 -13.147 0.968 1.00 60.01 C ATOM 714 C LYS A 50 18.589 -13.137 -0.335 1.00 71.11 C ATOM 715 O LYS A 50 19.805 -13.321 -0.321 1.00 40.22 O ATOM 716 CB LYS A 50 17.238 -14.525 1.342 1.00 63.42 C ATOM 717 CG LYS A 50 16.308 -14.435 2.553 1.00 23.14 C ATOM 718 CD LYS A 50 17.050 -14.797 3.842 1.00 52.41 C ATOM 719 CE LYS A 50 16.229 -14.409 5.074 1.00 45.32 C ATOM 720 NZ LYS A 50 16.625 -13.068 5.559 1.00 43.53 N ATOM 0 H LYS A 50 15.771 -12.582 0.863 1.00 3.14 H new ATOM 0 HA LYS A 50 18.475 -12.876 1.768 1.00 60.01 H new ATOM 0 HB2 LYS A 50 16.698 -14.947 0.495 1.00 63.42 H new ATOM 0 HB3 LYS A 50 18.064 -15.202 1.563 1.00 63.42 H new ATOM 0 HG2 LYS A 50 15.905 -13.425 2.632 1.00 23.14 H new ATOM 0 HG3 LYS A 50 15.461 -15.107 2.416 1.00 23.14 H new ATOM 0 HD2 LYS A 50 17.255 -15.867 3.860 1.00 52.41 H new ATOM 0 HD3 LYS A 50 18.013 -14.287 3.867 1.00 52.41 H new ATOM 0 HE2 LYS A 50 15.167 -14.414 4.827 1.00 45.32 H new ATOM 0 HE3 LYS A 50 16.376 -15.146 5.863 1.00 45.32 H new ATOM 0 HZ1 LYS A 50 16.391 -12.981 6.569 1.00 43.53 H new ATOM 0 HZ2 LYS A 50 17.649 -12.940 5.429 1.00 43.53 H new ATOM 0 HZ3 LYS A 50 16.114 -12.339 5.021 1.00 43.53 H new ATOM 733 N GLN A 51 17.875 -12.921 -1.430 1.00 41.32 N ATOM 734 CA GLN A 51 18.505 -12.884 -2.739 1.00 70.31 C ATOM 735 C GLN A 51 19.297 -11.587 -2.911 1.00 43.20 C ATOM 736 O GLN A 51 20.289 -11.553 -3.638 1.00 0.31 O ATOM 737 CB GLN A 51 17.467 -13.044 -3.852 1.00 21.43 C ATOM 738 CG GLN A 51 18.110 -13.596 -5.126 1.00 33.22 C ATOM 739 CD GLN A 51 18.100 -15.126 -5.127 1.00 34.22 C ATOM 740 OE1 GLN A 51 17.082 -15.766 -4.920 1.00 33.13 O ATOM 741 NE2 GLN A 51 19.286 -15.675 -5.371 1.00 3.10 N ATOM 0 H GLN A 51 16.866 -12.770 -1.438 1.00 41.32 H new ATOM 0 HA GLN A 51 19.198 -13.722 -2.810 1.00 70.31 H new ATOM 0 HB2 GLN A 51 16.674 -13.714 -3.521 1.00 21.43 H new ATOM 0 HB3 GLN A 51 17.003 -12.081 -4.063 1.00 21.43 H new ATOM 0 HG2 GLN A 51 17.573 -13.225 -5.999 1.00 33.22 H new ATOM 0 HG3 GLN A 51 19.136 -13.235 -5.206 1.00 33.22 H new ATOM 0 HE21 GLN A 51 20.099 -15.081 -5.536 1.00 3.10 H new ATOM 0 HE22 GLN A 51 19.383 -16.690 -5.393 1.00 3.10 H new ATOM 750 N TYR A 52 18.830 -10.551 -2.230 1.00 1.11 N ATOM 751 CA TYR A 52 19.483 -9.254 -2.298 1.00 73.52 C ATOM 752 C TYR A 52 20.823 -9.276 -1.561 1.00 44.13 C ATOM 753 O TYR A 52 21.850 -8.894 -2.121 1.00 53.41 O ATOM 754 CB TYR A 52 18.544 -8.272 -1.595 1.00 74.14 C ATOM 755 CG TYR A 52 18.437 -6.911 -2.286 1.00 1.02 C ATOM 756 CD1 TYR A 52 19.346 -5.915 -1.991 1.00 52.31 C ATOM 757 CD2 TYR A 52 17.432 -6.679 -3.203 1.00 64.21 C ATOM 758 CE1 TYR A 52 19.245 -4.634 -2.641 1.00 5.41 C ATOM 759 CE2 TYR A 52 17.332 -5.398 -3.853 1.00 21.02 C ATOM 760 CZ TYR A 52 18.244 -4.438 -3.540 1.00 34.53 C ATOM 761 OH TYR A 52 18.149 -3.228 -4.153 1.00 70.54 O ATOM 0 H TYR A 52 18.007 -10.583 -1.628 1.00 1.11 H new ATOM 0 HA TYR A 52 19.679 -8.977 -3.334 1.00 73.52 H new ATOM 0 HB2 TYR A 52 17.550 -8.716 -1.533 1.00 74.14 H new ATOM 0 HB3 TYR A 52 18.890 -8.123 -0.572 1.00 74.14 H new ATOM 0 HD1 TYR A 52 20.132 -6.096 -1.273 1.00 52.31 H new ATOM 0 HD2 TYR A 52 16.721 -7.458 -3.433 1.00 64.21 H new ATOM 0 HE1 TYR A 52 19.949 -3.846 -2.419 1.00 5.41 H new ATOM 0 HE2 TYR A 52 16.551 -5.204 -4.573 1.00 21.02 H new ATOM 0 HH TYR A 52 17.388 -3.233 -4.770 1.00 70.54 H new ATOM 771 N ALA A 53 20.771 -9.727 -0.317 1.00 10.04 N ATOM 772 CA ALA A 53 21.969 -9.803 0.503 1.00 75.32 C ATOM 773 C ALA A 53 22.988 -10.721 -0.176 1.00 13.24 C ATOM 774 O ALA A 53 24.192 -10.479 -0.102 1.00 55.01 O ATOM 775 CB ALA A 53 21.597 -10.283 1.907 1.00 15.33 C ATOM 0 H ALA A 53 19.918 -10.044 0.144 1.00 10.04 H new ATOM 0 HA ALA A 53 22.427 -8.819 0.606 1.00 75.32 H new ATOM 0 HB1 ALA A 53 22.495 -10.340 2.522 1.00 15.33 H new ATOM 0 HB2 ALA A 53 20.893 -9.582 2.357 1.00 15.33 H new ATOM 0 HB3 ALA A 53 21.137 -11.269 1.844 1.00 15.33 H new ATOM 781 N ASN A 54 22.468 -11.755 -0.821 1.00 1.23 N ATOM 782 CA ASN A 54 23.318 -12.710 -1.512 1.00 12.24 C ATOM 783 C ASN A 54 23.949 -12.035 -2.731 1.00 74.34 C ATOM 784 O ASN A 54 25.107 -12.291 -3.057 1.00 31.11 O ATOM 785 CB ASN A 54 22.509 -13.913 -2.002 1.00 3.52 C ATOM 786 CG ASN A 54 23.323 -14.757 -2.985 1.00 2.43 C ATOM 787 OD1 ASN A 54 24.491 -15.043 -2.778 1.00 41.11 O ATOM 788 ND2 ASN A 54 22.644 -15.138 -4.062 1.00 55.55 N ATOM 0 H ASN A 54 21.469 -11.952 -0.880 1.00 1.23 H new ATOM 0 HA ASN A 54 24.082 -13.050 -0.813 1.00 12.24 H new ATOM 0 HB2 ASN A 54 22.210 -14.526 -1.151 1.00 3.52 H new ATOM 0 HB3 ASN A 54 21.594 -13.569 -2.484 1.00 3.52 H new ATOM 0 HD21 ASN A 54 23.099 -15.705 -4.778 1.00 55.55 H new ATOM 0 HD22 ASN A 54 21.668 -14.864 -4.173 1.00 55.55 H new ATOM 795 N ASP A 55 23.159 -11.187 -3.373 1.00 52.21 N ATOM 796 CA ASP A 55 23.626 -10.474 -4.550 1.00 15.31 C ATOM 797 C ASP A 55 24.762 -9.530 -4.152 1.00 25.43 C ATOM 798 O ASP A 55 25.564 -9.128 -4.994 1.00 32.22 O ATOM 799 CB ASP A 55 22.505 -9.631 -5.164 1.00 25.44 C ATOM 800 CG ASP A 55 22.777 -9.131 -6.584 1.00 13.02 C ATOM 801 OD1 ASP A 55 23.016 -9.925 -7.506 1.00 4.32 O ATOM 802 OD2 ASP A 55 22.734 -7.850 -6.728 1.00 3.32 O ATOM 0 H ASP A 55 22.199 -10.978 -3.100 1.00 52.21 H new ATOM 0 HA ASP A 55 23.964 -11.211 -5.278 1.00 15.31 H new ATOM 0 HB2 ASP A 55 21.589 -10.222 -5.172 1.00 25.44 H new ATOM 0 HB3 ASP A 55 22.324 -8.770 -4.520 1.00 25.44 H new ATOM 808 N ASN A 56 24.796 -9.205 -2.868 1.00 3.11 N ATOM 809 CA ASN A 56 25.822 -8.316 -2.348 1.00 33.41 C ATOM 810 C ASN A 56 27.016 -9.146 -1.873 1.00 21.24 C ATOM 811 O ASN A 56 28.119 -8.623 -1.721 1.00 61.13 O ATOM 812 CB ASN A 56 25.301 -7.512 -1.155 1.00 75.04 C ATOM 813 CG ASN A 56 24.211 -6.530 -1.591 1.00 31.14 C ATOM 814 OD1 ASN A 56 23.428 -6.987 -2.564 1.00 74.44 O flip ATOM 815 ND2 ASN A 56 24.089 -5.430 -1.076 1.00 45.12 N flip ATOM 0 H ASN A 56 24.130 -9.541 -2.172 1.00 3.11 H new ATOM 0 HA ASN A 56 26.111 -7.632 -3.145 1.00 33.41 H new ATOM 0 HB2 ASN A 56 24.904 -8.190 -0.400 1.00 75.04 H new ATOM 0 HB3 ASN A 56 26.123 -6.966 -0.692 1.00 75.04 H new ATOM 0 HD21 ASN A 56 24.725 -5.142 -0.333 1.00 45.12 H new ATOM 0 HD22 ASN A 56 23.351 -4.799 -1.389 1.00 45.12 H new ATOM 822 N GLY A 57 26.756 -10.426 -1.650 1.00 73.14 N ATOM 823 CA GLY A 57 27.796 -11.333 -1.195 1.00 75.44 C ATOM 824 C GLY A 57 28.158 -11.064 0.267 1.00 54.55 C ATOM 825 O GLY A 57 29.206 -11.498 0.740 1.00 2.04 O ATOM 0 H GLY A 57 25.840 -10.857 -1.776 1.00 73.14 H new ATOM 0 HA2 GLY A 57 27.459 -12.364 -1.306 1.00 75.44 H new ATOM 0 HA3 GLY A 57 28.682 -11.219 -1.820 1.00 75.44 H new ATOM 829 N VAL A 58 27.269 -10.348 0.940 1.00 3.24 N ATOM 830 CA VAL A 58 27.482 -10.015 2.339 1.00 41.13 C ATOM 831 C VAL A 58 26.609 -10.918 3.212 1.00 21.21 C ATOM 832 O VAL A 58 25.421 -11.088 2.942 1.00 21.24 O ATOM 833 CB VAL A 58 27.218 -8.525 2.568 1.00 30.40 C ATOM 834 CG1 VAL A 58 27.233 -8.189 4.061 1.00 65.35 C ATOM 835 CG2 VAL A 58 28.225 -7.666 1.802 1.00 43.33 C ATOM 0 H VAL A 58 26.400 -9.989 0.543 1.00 3.24 H new ATOM 0 HA VAL A 58 28.519 -10.195 2.621 1.00 41.13 H new ATOM 0 HB VAL A 58 26.224 -8.298 2.184 1.00 30.40 H new ATOM 0 HG11 VAL A 58 27.043 -7.124 4.196 1.00 65.35 H new ATOM 0 HG12 VAL A 58 26.460 -8.763 4.571 1.00 65.35 H new ATOM 0 HG13 VAL A 58 28.207 -8.440 4.481 1.00 65.35 H new ATOM 0 HG21 VAL A 58 28.015 -6.612 1.982 1.00 43.33 H new ATOM 0 HG22 VAL A 58 29.234 -7.898 2.142 1.00 43.33 H new ATOM 0 HG23 VAL A 58 28.144 -7.875 0.735 1.00 43.33 H new ATOM 845 N ASP A 59 27.232 -11.474 4.241 1.00 40.20 N ATOM 846 CA ASP A 59 26.527 -12.355 5.156 1.00 73.44 C ATOM 847 C ASP A 59 27.068 -12.152 6.572 1.00 32.12 C ATOM 848 O ASP A 59 28.277 -12.039 6.768 1.00 12.25 O ATOM 849 CB ASP A 59 26.735 -13.823 4.776 1.00 14.13 C ATOM 850 CG ASP A 59 26.685 -14.116 3.275 1.00 31.25 C ATOM 851 OD1 ASP A 59 27.537 -14.839 2.737 1.00 32.15 O ATOM 852 OD2 ASP A 59 25.707 -13.560 2.643 1.00 25.14 O ATOM 0 H ASP A 59 28.218 -11.331 4.461 1.00 40.20 H new ATOM 0 HA ASP A 59 25.465 -12.115 5.104 1.00 73.44 H new ATOM 0 HB2 ASP A 59 27.700 -14.149 5.163 1.00 14.13 H new ATOM 0 HB3 ASP A 59 25.973 -14.423 5.274 1.00 14.13 H new ATOM 858 N GLY A 60 26.146 -12.112 7.523 1.00 2.02 N ATOM 859 CA GLY A 60 26.516 -11.924 8.916 1.00 74.21 C ATOM 860 C GLY A 60 25.300 -12.082 9.832 1.00 61.43 C ATOM 861 O GLY A 60 24.706 -13.157 9.901 1.00 61.33 O ATOM 0 H GLY A 60 25.144 -12.206 7.357 1.00 2.02 H new ATOM 0 HA2 GLY A 60 27.282 -12.648 9.194 1.00 74.21 H new ATOM 0 HA3 GLY A 60 26.951 -10.933 9.050 1.00 74.21 H new ATOM 865 N GLU A 61 24.966 -10.996 10.512 1.00 5.41 N ATOM 866 CA GLU A 61 23.833 -11.000 11.421 1.00 75.23 C ATOM 867 C GLU A 61 22.592 -10.437 10.724 1.00 1.14 C ATOM 868 O GLU A 61 22.566 -9.267 10.346 1.00 51.12 O ATOM 869 CB GLU A 61 24.149 -10.216 12.696 1.00 33.40 C ATOM 870 CG GLU A 61 22.987 -10.293 13.689 1.00 40.12 C ATOM 871 CD GLU A 61 23.304 -9.510 14.965 1.00 70.41 C ATOM 872 OE1 GLU A 61 23.693 -10.109 15.979 1.00 74.22 O ATOM 873 OE2 GLU A 61 23.135 -8.234 14.878 1.00 32.53 O ATOM 0 H GLU A 61 25.461 -10.106 10.452 1.00 5.41 H new ATOM 0 HA GLU A 61 23.628 -12.031 11.710 1.00 75.23 H new ATOM 0 HB2 GLU A 61 25.053 -10.614 13.157 1.00 33.40 H new ATOM 0 HB3 GLU A 61 24.350 -9.174 12.446 1.00 33.40 H new ATOM 0 HG2 GLU A 61 22.083 -9.894 13.228 1.00 40.12 H new ATOM 0 HG3 GLU A 61 22.785 -11.335 13.938 1.00 40.12 H new ATOM 881 N TRP A 62 21.594 -11.296 10.577 1.00 43.05 N ATOM 882 CA TRP A 62 20.354 -10.899 9.932 1.00 11.34 C ATOM 883 C TRP A 62 19.338 -10.565 11.027 1.00 23.31 C ATOM 884 O TRP A 62 19.069 -11.389 11.900 1.00 10.55 O ATOM 885 CB TRP A 62 19.863 -11.984 8.972 1.00 40.42 C ATOM 886 CG TRP A 62 20.818 -12.264 7.810 1.00 72.23 C ATOM 887 CD1 TRP A 62 22.114 -12.601 7.869 1.00 15.42 C ATOM 888 CD2 TRP A 62 20.497 -12.219 6.403 1.00 0.13 C ATOM 889 NE1 TRP A 62 22.649 -12.775 6.609 1.00 4.33 N ATOM 890 CE2 TRP A 62 21.635 -12.535 5.690 1.00 71.34 C ATOM 891 CE3 TRP A 62 19.285 -11.921 5.756 1.00 43.34 C ATOM 892 CZ2 TRP A 62 21.674 -12.584 4.291 1.00 41.40 C ATOM 893 CZ3 TRP A 62 19.341 -11.973 4.358 1.00 70.24 C ATOM 894 CH2 TRP A 62 20.479 -12.290 3.624 1.00 15.14 C ATOM 0 H TRP A 62 21.619 -12.265 10.893 1.00 43.05 H new ATOM 0 HA TRP A 62 20.506 -10.013 9.316 1.00 11.34 H new ATOM 0 HB2 TRP A 62 19.707 -12.906 9.531 1.00 40.42 H new ATOM 0 HB3 TRP A 62 18.894 -11.688 8.570 1.00 40.42 H new ATOM 0 HD1 TRP A 62 22.670 -12.721 8.787 1.00 15.42 H new ATOM 0 HE1 TRP A 62 23.612 -13.032 6.392 1.00 4.33 H new ATOM 0 HE3 TRP A 62 18.383 -11.672 6.294 1.00 43.34 H new ATOM 0 HZ2 TRP A 62 22.578 -12.835 3.755 1.00 41.40 H new ATOM 0 HZ3 TRP A 62 18.437 -11.751 3.811 1.00 70.24 H new ATOM 0 HH2 TRP A 62 20.441 -12.309 2.545 1.00 15.14 H new ATOM 905 N THR A 63 18.802 -9.357 10.944 1.00 3.52 N ATOM 906 CA THR A 63 17.822 -8.904 11.917 1.00 62.20 C ATOM 907 C THR A 63 16.672 -8.178 11.217 1.00 73.42 C ATOM 908 O THR A 63 16.901 -7.327 10.359 1.00 15.22 O ATOM 909 CB THR A 63 18.547 -8.040 12.951 1.00 55.32 C ATOM 910 OG1 THR A 63 17.510 -7.605 13.827 1.00 43.10 O ATOM 911 CG2 THR A 63 19.094 -6.744 12.350 1.00 45.32 C ATOM 0 H THR A 63 19.028 -8.677 10.218 1.00 3.52 H new ATOM 0 HA THR A 63 17.364 -9.745 12.438 1.00 62.20 H new ATOM 0 HB THR A 63 19.365 -8.610 13.391 1.00 55.32 H new ATOM 0 HG1 THR A 63 17.892 -7.039 14.530 1.00 43.10 H new ATOM 0 HG21 THR A 63 19.599 -6.168 13.126 1.00 45.32 H new ATOM 0 HG22 THR A 63 19.802 -6.982 11.556 1.00 45.32 H new ATOM 0 HG23 THR A 63 18.272 -6.158 11.940 1.00 45.32 H new ATOM 919 N TYR A 64 15.459 -8.542 11.609 1.00 64.14 N ATOM 920 CA TYR A 64 14.273 -7.936 11.029 1.00 35.24 C ATOM 921 C TYR A 64 13.324 -7.437 12.121 1.00 55.23 C ATOM 922 O TYR A 64 13.145 -8.097 13.143 1.00 73.43 O ATOM 923 CB TYR A 64 13.579 -9.044 10.235 1.00 74.24 C ATOM 924 CG TYR A 64 12.061 -8.879 10.132 1.00 61.21 C ATOM 925 CD1 TYR A 64 11.240 -9.431 11.094 1.00 2.25 C ATOM 926 CD2 TYR A 64 11.513 -8.179 9.077 1.00 51.25 C ATOM 927 CE1 TYR A 64 9.812 -9.276 10.998 1.00 51.43 C ATOM 928 CE2 TYR A 64 10.085 -8.024 8.980 1.00 55.52 C ATOM 929 CZ TYR A 64 9.305 -8.580 9.945 1.00 14.32 C ATOM 930 OH TYR A 64 7.956 -8.433 9.854 1.00 74.12 O ATOM 0 H TYR A 64 15.273 -9.249 12.321 1.00 64.14 H new ATOM 0 HA TYR A 64 14.542 -7.082 10.407 1.00 35.24 H new ATOM 0 HB2 TYR A 64 14.000 -9.075 9.230 1.00 74.24 H new ATOM 0 HB3 TYR A 64 13.799 -10.004 10.702 1.00 74.24 H new ATOM 0 HD1 TYR A 64 11.669 -9.980 11.919 1.00 2.25 H new ATOM 0 HD2 TYR A 64 12.155 -7.747 8.324 1.00 51.25 H new ATOM 0 HE1 TYR A 64 9.158 -9.702 11.745 1.00 51.43 H new ATOM 0 HE2 TYR A 64 9.643 -7.478 8.159 1.00 55.52 H new ATOM 0 HH TYR A 64 7.518 -9.022 10.503 1.00 74.12 H new ATOM 940 N ASP A 65 12.740 -6.275 11.867 1.00 42.34 N ATOM 941 CA ASP A 65 11.814 -5.679 12.815 1.00 70.13 C ATOM 942 C ASP A 65 10.430 -5.571 12.170 1.00 25.34 C ATOM 943 O ASP A 65 10.218 -4.748 11.282 1.00 41.22 O ATOM 944 CB ASP A 65 12.262 -4.271 13.212 1.00 73.04 C ATOM 945 CG ASP A 65 13.098 -4.195 14.491 1.00 51.24 C ATOM 946 OD1 ASP A 65 13.967 -3.322 14.634 1.00 24.42 O ATOM 947 OD2 ASP A 65 12.824 -5.092 15.376 1.00 75.33 O ATOM 0 H ASP A 65 12.890 -5.730 11.018 1.00 42.34 H new ATOM 0 HA ASP A 65 11.786 -6.312 13.702 1.00 70.13 H new ATOM 0 HB2 ASP A 65 12.840 -3.845 12.392 1.00 73.04 H new ATOM 0 HB3 ASP A 65 11.378 -3.646 13.336 1.00 73.04 H new ATOM 953 N ASP A 66 9.525 -6.415 12.644 1.00 42.04 N ATOM 954 CA ASP A 66 8.168 -6.425 12.125 1.00 51.12 C ATOM 955 C ASP A 66 7.492 -5.092 12.452 1.00 51.25 C ATOM 956 O ASP A 66 6.508 -4.718 11.814 1.00 4.15 O ATOM 957 CB ASP A 66 7.342 -7.543 12.764 1.00 1.10 C ATOM 958 CG ASP A 66 6.001 -7.826 12.084 1.00 63.43 C ATOM 959 OD1 ASP A 66 5.894 -8.720 11.230 1.00 5.43 O ATOM 960 OD2 ASP A 66 5.026 -7.075 12.468 1.00 75.14 O ATOM 0 H ASP A 66 9.705 -7.096 13.381 1.00 42.04 H new ATOM 0 HA ASP A 66 8.220 -6.586 11.048 1.00 51.12 H new ATOM 0 HB2 ASP A 66 7.934 -8.458 12.761 1.00 1.10 H new ATOM 0 HB3 ASP A 66 7.156 -7.286 13.807 1.00 1.10 H new ATOM 966 N ALA A 67 8.046 -4.411 13.444 1.00 63.30 N ATOM 967 CA ALA A 67 7.509 -3.128 13.863 1.00 3.20 C ATOM 968 C ALA A 67 7.524 -2.162 12.677 1.00 42.33 C ATOM 969 O ALA A 67 6.724 -1.229 12.621 1.00 61.21 O ATOM 970 CB ALA A 67 8.314 -2.602 15.053 1.00 13.24 C ATOM 0 H ALA A 67 8.862 -4.724 13.970 1.00 63.30 H new ATOM 0 HA ALA A 67 6.474 -3.233 14.190 1.00 3.20 H new ATOM 0 HB1 ALA A 67 7.911 -1.639 15.368 1.00 13.24 H new ATOM 0 HB2 ALA A 67 8.248 -3.310 15.879 1.00 13.24 H new ATOM 0 HB3 ALA A 67 9.357 -2.481 14.762 1.00 13.24 H new ATOM 976 N THR A 68 8.443 -2.418 11.757 1.00 21.23 N ATOM 977 CA THR A 68 8.573 -1.583 10.575 1.00 13.14 C ATOM 978 C THR A 68 8.908 -2.438 9.352 1.00 32.30 C ATOM 979 O THR A 68 9.322 -1.915 8.319 1.00 62.11 O ATOM 980 CB THR A 68 9.620 -0.507 10.870 1.00 54.35 C ATOM 981 OG1 THR A 68 9.732 0.212 9.645 1.00 51.55 O ATOM 982 CG2 THR A 68 11.016 -1.092 11.087 1.00 23.41 C ATOM 0 H THR A 68 9.105 -3.192 11.807 1.00 21.23 H new ATOM 0 HA THR A 68 7.633 -1.086 10.336 1.00 13.14 H new ATOM 0 HB THR A 68 9.322 0.057 11.754 1.00 54.35 H new ATOM 0 HG1 THR A 68 9.976 -0.406 8.924 1.00 51.55 H new ATOM 0 HG21 THR A 68 11.720 -0.286 11.293 1.00 23.41 H new ATOM 0 HG22 THR A 68 10.995 -1.780 11.932 1.00 23.41 H new ATOM 0 HG23 THR A 68 11.329 -1.628 10.191 1.00 23.41 H new ATOM 990 N LYS A 69 8.716 -3.740 9.509 1.00 13.23 N ATOM 991 CA LYS A 69 8.992 -4.673 8.430 1.00 4.14 C ATOM 992 C LYS A 69 10.269 -4.243 7.705 1.00 50.01 C ATOM 993 O LYS A 69 10.234 -3.916 6.519 1.00 35.45 O ATOM 994 CB LYS A 69 7.777 -4.804 7.511 1.00 72.14 C ATOM 995 CG LYS A 69 6.478 -4.835 8.319 1.00 22.12 C ATOM 996 CD LYS A 69 6.312 -6.175 9.038 1.00 31.42 C ATOM 997 CE LYS A 69 4.866 -6.668 8.953 1.00 53.51 C ATOM 998 NZ LYS A 69 4.066 -6.124 10.074 1.00 43.35 N ATOM 0 H LYS A 69 8.373 -4.171 10.368 1.00 13.23 H new ATOM 0 HA LYS A 69 9.171 -5.672 8.826 1.00 4.14 H new ATOM 0 HB2 LYS A 69 7.754 -3.968 6.811 1.00 72.14 H new ATOM 0 HB3 LYS A 69 7.862 -5.714 6.918 1.00 72.14 H new ATOM 0 HG2 LYS A 69 6.480 -4.025 9.048 1.00 22.12 H new ATOM 0 HG3 LYS A 69 5.629 -4.666 7.656 1.00 22.12 H new ATOM 0 HD2 LYS A 69 6.979 -6.915 8.595 1.00 31.42 H new ATOM 0 HD3 LYS A 69 6.603 -6.069 10.083 1.00 31.42 H new ATOM 0 HE2 LYS A 69 4.427 -6.363 8.003 1.00 53.51 H new ATOM 0 HE3 LYS A 69 4.845 -7.757 8.978 1.00 53.51 H new ATOM 0 HZ1 LYS A 69 3.061 -6.110 9.808 1.00 43.35 H new ATOM 0 HZ2 LYS A 69 4.194 -6.723 10.914 1.00 43.35 H new ATOM 0 HZ3 LYS A 69 4.381 -5.156 10.288 1.00 43.35 H new ATOM 1011 N THR A 70 11.366 -4.257 8.447 1.00 44.11 N ATOM 1012 CA THR A 70 12.652 -3.872 7.889 1.00 31.52 C ATOM 1013 C THR A 70 13.731 -4.878 8.295 1.00 4.31 C ATOM 1014 O THR A 70 13.776 -5.317 9.443 1.00 13.33 O ATOM 1015 CB THR A 70 12.954 -2.442 8.339 1.00 12.33 C ATOM 1016 OG1 THR A 70 12.149 -1.632 7.486 1.00 22.31 O ATOM 1017 CG2 THR A 70 14.387 -2.016 8.014 1.00 10.34 C ATOM 0 H THR A 70 11.392 -4.529 9.430 1.00 44.11 H new ATOM 0 HA THR A 70 12.631 -3.887 6.799 1.00 31.52 H new ATOM 0 HB THR A 70 12.785 -2.356 9.412 1.00 12.33 H new ATOM 0 HG1 THR A 70 11.212 -1.691 7.768 1.00 22.31 H new ATOM 0 HG21 THR A 70 14.549 -0.993 8.354 1.00 10.34 H new ATOM 0 HG22 THR A 70 15.088 -2.681 8.518 1.00 10.34 H new ATOM 0 HG23 THR A 70 14.547 -2.070 6.937 1.00 10.34 H new ATOM 1025 N PHE A 71 14.575 -5.213 7.330 1.00 24.04 N ATOM 1026 CA PHE A 71 15.652 -6.158 7.573 1.00 71.41 C ATOM 1027 C PHE A 71 17.017 -5.487 7.415 1.00 5.33 C ATOM 1028 O PHE A 71 17.206 -4.658 6.527 1.00 45.54 O ATOM 1029 CB PHE A 71 15.518 -7.267 6.527 1.00 40.44 C ATOM 1030 CG PHE A 71 14.119 -7.882 6.448 1.00 64.15 C ATOM 1031 CD1 PHE A 71 13.087 -7.160 5.937 1.00 54.24 C ATOM 1032 CD2 PHE A 71 13.909 -9.151 6.888 1.00 22.51 C ATOM 1033 CE1 PHE A 71 11.789 -7.731 5.863 1.00 34.01 C ATOM 1034 CE2 PHE A 71 12.611 -9.723 6.815 1.00 43.34 C ATOM 1035 CZ PHE A 71 11.578 -9.000 6.304 1.00 64.53 C ATOM 0 H PHE A 71 14.535 -4.847 6.379 1.00 24.04 H new ATOM 0 HA PHE A 71 15.584 -6.546 8.589 1.00 71.41 H new ATOM 0 HB2 PHE A 71 15.782 -6.864 5.549 1.00 40.44 H new ATOM 0 HB3 PHE A 71 16.238 -8.054 6.753 1.00 40.44 H new ATOM 0 HD1 PHE A 71 13.254 -6.152 5.587 1.00 54.24 H new ATOM 0 HD2 PHE A 71 14.730 -9.724 7.293 1.00 22.51 H new ATOM 0 HE1 PHE A 71 10.969 -7.157 5.456 1.00 34.01 H new ATOM 0 HE2 PHE A 71 12.444 -10.731 7.165 1.00 43.34 H new ATOM 0 HZ PHE A 71 10.591 -9.434 6.249 1.00 64.53 H new ATOM 1045 N THR A 72 17.934 -5.870 8.292 1.00 44.25 N ATOM 1046 CA THR A 72 19.277 -5.315 8.261 1.00 40.12 C ATOM 1047 C THR A 72 20.318 -6.433 8.347 1.00 41.35 C ATOM 1048 O THR A 72 20.219 -7.314 9.199 1.00 71.34 O ATOM 1049 CB THR A 72 19.391 -4.290 9.391 1.00 21.33 C ATOM 1050 OG1 THR A 72 18.113 -3.662 9.420 1.00 13.53 O ATOM 1051 CG2 THR A 72 20.358 -3.153 9.055 1.00 21.15 C ATOM 0 H THR A 72 17.773 -6.558 9.028 1.00 44.25 H new ATOM 0 HA THR A 72 19.472 -4.804 7.318 1.00 40.12 H new ATOM 0 HB THR A 72 19.721 -4.789 10.302 1.00 21.33 H new ATOM 0 HG1 THR A 72 17.938 -3.236 8.555 1.00 13.53 H new ATOM 0 HG21 THR A 72 20.402 -2.454 9.890 1.00 21.15 H new ATOM 0 HG22 THR A 72 21.351 -3.562 8.872 1.00 21.15 H new ATOM 0 HG23 THR A 72 20.011 -2.632 8.163 1.00 21.15 H new ATOM 1059 N VAL A 73 21.293 -6.360 7.452 1.00 12.21 N ATOM 1060 CA VAL A 73 22.351 -7.355 7.416 1.00 43.42 C ATOM 1061 C VAL A 73 23.660 -6.717 7.886 1.00 64.41 C ATOM 1062 O VAL A 73 24.153 -5.775 7.268 1.00 64.12 O ATOM 1063 CB VAL A 73 22.451 -7.962 6.015 1.00 41.41 C ATOM 1064 CG1 VAL A 73 23.750 -7.539 5.326 1.00 70.14 C ATOM 1065 CG2 VAL A 73 22.329 -9.486 6.068 1.00 41.21 C ATOM 0 H VAL A 73 21.372 -5.627 6.747 1.00 12.21 H new ATOM 0 HA VAL A 73 22.127 -8.177 8.096 1.00 43.42 H new ATOM 0 HB VAL A 73 21.619 -7.580 5.424 1.00 41.41 H new ATOM 0 HG11 VAL A 73 23.796 -7.984 4.332 1.00 70.14 H new ATOM 0 HG12 VAL A 73 23.779 -6.453 5.239 1.00 70.14 H new ATOM 0 HG13 VAL A 73 24.602 -7.878 5.915 1.00 70.14 H new ATOM 0 HG21 VAL A 73 22.403 -9.892 5.059 1.00 41.21 H new ATOM 0 HG22 VAL A 73 23.131 -9.894 6.684 1.00 41.21 H new ATOM 0 HG23 VAL A 73 21.366 -9.759 6.499 1.00 41.21 H new ATOM 1075 N THR A 74 24.186 -7.257 8.976 1.00 62.23 N ATOM 1076 CA THR A 74 25.429 -6.753 9.536 1.00 74.12 C ATOM 1077 C THR A 74 26.571 -7.735 9.269 1.00 70.20 C ATOM 1078 O THR A 74 26.524 -8.883 9.710 1.00 52.42 O ATOM 1079 CB THR A 74 25.199 -6.478 11.023 1.00 1.51 C ATOM 1080 OG1 THR A 74 23.878 -5.947 11.078 1.00 11.40 O ATOM 1081 CG2 THR A 74 26.079 -5.342 11.551 1.00 70.51 C ATOM 0 H THR A 74 23.774 -8.038 9.486 1.00 62.23 H new ATOM 0 HA THR A 74 25.728 -5.819 9.060 1.00 74.12 H new ATOM 0 HB THR A 74 25.395 -7.385 11.594 1.00 1.51 H new ATOM 0 HG1 THR A 74 23.646 -5.742 12.008 1.00 11.40 H new ATOM 0 HG21 THR A 74 25.877 -5.187 12.611 1.00 70.51 H new ATOM 0 HG22 THR A 74 27.129 -5.602 11.416 1.00 70.51 H new ATOM 0 HG23 THR A 74 25.859 -4.426 11.002 1.00 70.51 H new ATOM 1089 N GLU A 75 27.571 -7.249 8.548 1.00 13.45 N ATOM 1090 CA GLU A 75 28.723 -8.069 8.218 1.00 64.24 C ATOM 1091 C GLU A 75 29.852 -7.829 9.222 1.00 1.41 C ATOM 1092 O GLU A 75 30.135 -8.683 10.060 1.00 34.34 O ATOM 1093 CB GLU A 75 29.196 -7.800 6.787 1.00 34.05 C ATOM 1094 CG GLU A 75 29.918 -9.019 6.210 1.00 1.10 C ATOM 1095 CD GLU A 75 31.109 -9.416 7.085 1.00 40.42 C ATOM 1096 OE1 GLU A 75 32.056 -8.630 7.236 1.00 44.14 O ATOM 1097 OE2 GLU A 75 31.027 -10.587 7.619 1.00 11.11 O ATOM 0 H GLU A 75 27.607 -6.297 8.183 1.00 13.45 H new ATOM 0 HA GLU A 75 28.427 -9.116 8.278 1.00 64.24 H new ATOM 0 HB2 GLU A 75 28.341 -7.548 6.159 1.00 34.05 H new ATOM 0 HB3 GLU A 75 29.864 -6.939 6.777 1.00 34.05 H new ATOM 0 HG2 GLU A 75 29.223 -9.855 6.134 1.00 1.10 H new ATOM 0 HG3 GLU A 75 30.262 -8.798 5.200 1.00 1.10 H new