USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 833 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 97 ASN : amide:sc= -0.412 K(o=-0.41,f=-1.1) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc=-0.000664 USER MOD Set 2.2: A 56 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.2!) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.703 (180deg=-0.772) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00463 X(o=-0.0046,f=-0.0046) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.26) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0419 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 25 SER OG : rot -56:sc= 0.00624 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -131:sc= -0.534 (180deg=-2.75!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 20:sc= 0.129 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0876 K(o=-0.088,f=-2!) USER MOD Single : A 49 THR OG1 : rot 41:sc= 0.446 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.02) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0461 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.028) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.624 K(o=-0.62,f=-3!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 167:sc= -0.0018 (180deg=-0.161) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.409 4.259 -9.875 1.00 74.02 N ATOM 2 CA MET A 1 2.845 2.915 -9.848 1.00 70.21 C ATOM 3 C MET A 1 1.329 2.964 -9.687 1.00 1.14 C ATOM 4 O MET A 1 0.730 2.063 -9.101 1.00 14.14 O ATOM 5 CB MET A 1 3.465 2.101 -8.711 1.00 5.00 C ATOM 6 CG MET A 1 4.982 2.172 -8.670 1.00 65.10 C ATOM 7 SD MET A 1 5.690 1.169 -7.350 1.00 11.01 S ATOM 8 CE MET A 1 6.417 -0.170 -8.293 1.00 43.51 C ATOM 0 H1 MET A 1 4.429 4.204 -10.070 1.00 74.02 H new ATOM 0 H2 MET A 1 2.944 4.816 -10.620 1.00 74.02 H new ATOM 0 H3 MET A 1 3.257 4.718 -8.954 1.00 74.02 H new ATOM 0 HA MET A 1 3.076 2.432 -10.798 1.00 70.21 H new ATOM 0 HB2 MET A 1 3.067 2.458 -7.761 1.00 5.00 H new ATOM 0 HB3 MET A 1 3.161 1.059 -8.813 1.00 5.00 H new ATOM 0 HG2 MET A 1 5.383 1.840 -9.628 1.00 65.10 H new ATOM 0 HG3 MET A 1 5.290 3.209 -8.537 1.00 65.10 H new ATOM 0 HE1 MET A 1 6.895 -0.876 -7.614 1.00 43.51 H new ATOM 0 HE2 MET A 1 5.638 -0.681 -8.859 1.00 43.51 H new ATOM 0 HE3 MET A 1 7.161 0.232 -8.981 1.00 43.51 H new ATOM 18 N GLN A 2 0.717 4.021 -10.209 1.00 54.23 N ATOM 19 CA GLN A 2 -0.730 4.186 -10.121 1.00 4.34 C ATOM 20 C GLN A 2 -1.431 3.462 -11.265 1.00 54.03 C ATOM 21 O GLN A 2 -1.041 3.591 -12.425 1.00 14.31 O ATOM 22 CB GLN A 2 -1.097 5.671 -10.140 1.00 2.23 C ATOM 23 CG GLN A 2 -0.287 6.510 -9.164 1.00 12.22 C ATOM 24 CD GLN A 2 -0.760 7.949 -9.099 1.00 43.44 C ATOM 25 OE1 GLN A 2 -1.213 8.510 -10.097 1.00 54.03 O ATOM 26 NE2 GLN A 2 -0.656 8.555 -7.923 1.00 55.22 N ATOM 0 H GLN A 2 1.199 4.776 -10.697 1.00 54.23 H new ATOM 0 HA GLN A 2 -1.064 3.748 -9.180 1.00 4.34 H new ATOM 0 HB2 GLN A 2 -0.952 6.060 -11.148 1.00 2.23 H new ATOM 0 HB3 GLN A 2 -2.156 5.778 -9.906 1.00 2.23 H new ATOM 0 HG2 GLN A 2 -0.349 6.066 -8.171 1.00 12.22 H new ATOM 0 HG3 GLN A 2 0.763 6.489 -9.457 1.00 12.22 H new ATOM 0 HE21 GLN A 2 -0.274 8.052 -7.122 1.00 55.22 H new ATOM 0 HE22 GLN A 2 -0.958 9.524 -7.820 1.00 55.22 H new ATOM 35 N GLU A 3 -2.469 2.701 -10.930 1.00 50.43 N ATOM 36 CA GLU A 3 -3.223 1.956 -11.931 1.00 75.22 C ATOM 37 C GLU A 3 -4.480 2.717 -12.342 1.00 34.12 C ATOM 38 O GLU A 3 -5.148 3.329 -11.508 1.00 40.23 O ATOM 39 CB GLU A 3 -3.603 0.575 -11.392 1.00 50.32 C ATOM 40 CG GLU A 3 -2.421 -0.215 -10.856 1.00 53.32 C ATOM 41 CD GLU A 3 -2.643 -1.714 -10.922 1.00 14.50 C ATOM 42 OE1 GLU A 3 -3.077 -2.202 -11.986 1.00 32.44 O ATOM 43 OE2 GLU A 3 -2.381 -2.397 -9.910 1.00 51.40 O ATOM 0 H GLU A 3 -2.806 2.585 -9.974 1.00 50.43 H new ATOM 0 HA GLU A 3 -2.589 1.833 -12.809 1.00 75.22 H new ATOM 0 HB2 GLU A 3 -4.340 0.694 -10.598 1.00 50.32 H new ATOM 0 HB3 GLU A 3 -4.081 0.003 -12.187 1.00 50.32 H new ATOM 0 HG2 GLU A 3 -1.528 0.042 -11.426 1.00 53.32 H new ATOM 0 HG3 GLU A 3 -2.233 0.076 -9.822 1.00 53.32 H new ATOM 50 N GLN A 4 -4.797 2.674 -13.632 1.00 62.22 N ATOM 51 CA GLN A 4 -5.972 3.360 -14.154 1.00 51.41 C ATOM 52 C GLN A 4 -6.996 2.361 -14.683 1.00 24.20 C ATOM 53 O GLN A 4 -7.081 2.123 -15.888 1.00 50.33 O ATOM 54 CB GLN A 4 -5.570 4.333 -15.264 1.00 75.54 C ATOM 55 CG GLN A 4 -4.629 3.727 -16.293 1.00 11.31 C ATOM 56 CD GLN A 4 -4.771 4.365 -17.660 1.00 62.11 C ATOM 57 OE1 GLN A 4 -5.837 4.315 -18.273 1.00 62.44 O ATOM 58 NE2 GLN A 4 -3.692 4.969 -18.147 1.00 72.31 N ATOM 0 H GLN A 4 -4.256 2.171 -14.335 1.00 62.22 H new ATOM 0 HA GLN A 4 -6.427 3.920 -13.337 1.00 51.41 H new ATOM 0 HB2 GLN A 4 -6.469 4.686 -15.769 1.00 75.54 H new ATOM 0 HB3 GLN A 4 -5.093 5.205 -14.816 1.00 75.54 H new ATOM 0 HG2 GLN A 4 -3.601 3.838 -15.949 1.00 11.31 H new ATOM 0 HG3 GLN A 4 -4.824 2.658 -16.373 1.00 11.31 H new ATOM 0 HE21 GLN A 4 -2.829 4.986 -17.604 1.00 72.31 H new ATOM 0 HE22 GLN A 4 -3.727 5.415 -19.064 1.00 72.31 H new ATOM 67 N VAL A 5 -7.771 1.777 -13.775 1.00 11.43 N ATOM 68 CA VAL A 5 -8.789 0.804 -14.150 1.00 21.13 C ATOM 69 C VAL A 5 -10.182 1.290 -13.767 1.00 52.54 C ATOM 70 O VAL A 5 -10.504 1.418 -12.586 1.00 31.15 O ATOM 71 CB VAL A 5 -8.533 -0.562 -13.483 1.00 1.21 C ATOM 72 CG1 VAL A 5 -9.520 -1.599 -13.996 1.00 24.53 C ATOM 73 CG2 VAL A 5 -7.100 -1.012 -13.724 1.00 43.43 C ATOM 0 H VAL A 5 -7.713 1.961 -12.773 1.00 11.43 H new ATOM 0 HA VAL A 5 -8.732 0.689 -15.232 1.00 21.13 H new ATOM 0 HB VAL A 5 -8.680 -0.456 -12.408 1.00 1.21 H new ATOM 0 HG11 VAL A 5 -9.324 -2.557 -13.514 1.00 24.53 H new ATOM 0 HG12 VAL A 5 -10.536 -1.279 -13.767 1.00 24.53 H new ATOM 0 HG13 VAL A 5 -9.408 -1.706 -15.075 1.00 24.53 H new ATOM 0 HG21 VAL A 5 -6.937 -1.978 -13.246 1.00 43.43 H new ATOM 0 HG22 VAL A 5 -6.922 -1.103 -14.796 1.00 43.43 H new ATOM 0 HG23 VAL A 5 -6.413 -0.278 -13.303 1.00 43.43 H new ATOM 83 N SER A 6 -11.006 1.561 -14.774 1.00 64.31 N ATOM 84 CA SER A 6 -12.365 2.037 -14.543 1.00 52.45 C ATOM 85 C SER A 6 -13.387 0.979 -14.946 1.00 62.43 C ATOM 86 O SER A 6 -14.201 1.196 -15.843 1.00 21.12 O ATOM 87 CB SER A 6 -12.615 3.328 -15.325 1.00 30.11 C ATOM 88 OG SER A 6 -13.625 4.109 -14.711 1.00 32.41 O ATOM 0 H SER A 6 -10.756 1.459 -15.758 1.00 64.31 H new ATOM 0 HA SER A 6 -12.477 2.238 -13.478 1.00 52.45 H new ATOM 0 HB2 SER A 6 -11.692 3.904 -15.386 1.00 30.11 H new ATOM 0 HB3 SER A 6 -12.908 3.087 -16.347 1.00 30.11 H new ATOM 0 HG SER A 6 -13.765 4.929 -15.229 1.00 32.41 H new ATOM 94 N ASN A 7 -13.338 -0.168 -14.275 1.00 75.34 N ATOM 95 CA ASN A 7 -14.259 -1.261 -14.563 1.00 33.22 C ATOM 96 C ASN A 7 -14.564 -2.062 -13.301 1.00 34.42 C ATOM 97 O ASN A 7 -14.068 -1.748 -12.219 1.00 51.10 O ATOM 98 CB ASN A 7 -13.672 -2.182 -15.635 1.00 74.32 C ATOM 99 CG ASN A 7 -13.869 -1.636 -17.036 1.00 64.40 C ATOM 100 OD1 ASN A 7 -12.924 -1.165 -17.669 1.00 43.34 O ATOM 101 ND2 ASN A 7 -15.101 -1.699 -17.528 1.00 42.51 N ATOM 0 H ASN A 7 -12.671 -0.364 -13.529 1.00 75.34 H new ATOM 0 HA ASN A 7 -15.189 -0.830 -14.933 1.00 33.22 H new ATOM 0 HB2 ASN A 7 -12.607 -2.320 -15.448 1.00 74.32 H new ATOM 0 HB3 ASN A 7 -14.139 -3.164 -15.562 1.00 74.32 H new ATOM 0 HD21 ASN A 7 -15.294 -1.349 -18.466 1.00 42.51 H new ATOM 0 HD22 ASN A 7 -15.854 -2.098 -16.968 1.00 42.51 H new ATOM 108 N VAL A 8 -15.384 -3.099 -13.447 1.00 3.20 N ATOM 109 CA VAL A 8 -15.754 -3.946 -12.320 1.00 3.04 C ATOM 110 C VAL A 8 -15.163 -5.344 -12.466 1.00 11.14 C ATOM 111 O VAL A 8 -14.528 -5.658 -13.473 1.00 32.14 O ATOM 112 CB VAL A 8 -17.283 -4.059 -12.181 1.00 75.10 C ATOM 113 CG1 VAL A 8 -17.900 -2.690 -11.936 1.00 64.04 C ATOM 114 CG2 VAL A 8 -17.883 -4.710 -13.418 1.00 30.43 C ATOM 0 H VAL A 8 -15.804 -3.372 -14.335 1.00 3.20 H new ATOM 0 HA VAL A 8 -15.349 -3.475 -11.424 1.00 3.04 H new ATOM 0 HB VAL A 8 -17.507 -4.690 -11.321 1.00 75.10 H new ATOM 0 HG11 VAL A 8 -18.981 -2.790 -11.840 1.00 64.04 H new ATOM 0 HG12 VAL A 8 -17.492 -2.266 -11.018 1.00 64.04 H new ATOM 0 HG13 VAL A 8 -17.669 -2.032 -12.774 1.00 64.04 H new ATOM 0 HG21 VAL A 8 -18.965 -4.782 -13.303 1.00 30.43 H new ATOM 0 HG22 VAL A 8 -17.651 -4.107 -14.296 1.00 30.43 H new ATOM 0 HG23 VAL A 8 -17.464 -5.708 -13.543 1.00 30.43 H new ATOM 124 N ARG A 9 -15.376 -6.178 -11.454 1.00 22.12 N ATOM 125 CA ARG A 9 -14.863 -7.543 -11.469 1.00 22.42 C ATOM 126 C ARG A 9 -16.004 -8.554 -11.379 1.00 2.52 C ATOM 127 O ARG A 9 -16.970 -8.349 -10.645 1.00 54.31 O ATOM 128 CB ARG A 9 -13.885 -7.757 -10.312 1.00 55.33 C ATOM 129 CG ARG A 9 -12.808 -6.689 -10.220 1.00 21.03 C ATOM 130 CD ARG A 9 -11.775 -6.844 -11.325 1.00 21.42 C ATOM 131 NE ARG A 9 -12.003 -5.910 -12.423 1.00 73.15 N ATOM 132 CZ ARG A 9 -11.786 -4.603 -12.334 1.00 61.01 C ATOM 133 NH1 ARG A 9 -11.335 -4.079 -11.202 1.00 62.31 N ATOM 134 NH2 ARG A 9 -12.018 -3.817 -13.377 1.00 43.23 N ATOM 0 H ARG A 9 -15.900 -5.933 -10.614 1.00 22.12 H new ATOM 0 HA ARG A 9 -14.338 -7.696 -12.412 1.00 22.42 H new ATOM 0 HB2 ARG A 9 -14.443 -7.780 -9.376 1.00 55.33 H new ATOM 0 HB3 ARG A 9 -13.410 -8.732 -10.425 1.00 55.33 H new ATOM 0 HG2 ARG A 9 -13.266 -5.702 -10.284 1.00 21.03 H new ATOM 0 HG3 ARG A 9 -12.316 -6.749 -9.249 1.00 21.03 H new ATOM 0 HD2 ARG A 9 -10.778 -6.684 -10.914 1.00 21.42 H new ATOM 0 HD3 ARG A 9 -11.802 -7.865 -11.706 1.00 21.42 H new ATOM 0 HE ARG A 9 -12.348 -6.282 -13.308 1.00 73.15 H new ATOM 0 HH11 ARG A 9 -11.154 -4.680 -10.398 1.00 62.31 H new ATOM 0 HH12 ARG A 9 -11.169 -3.075 -11.135 1.00 62.31 H new ATOM 0 HH21 ARG A 9 -12.364 -4.216 -14.250 1.00 43.23 H new ATOM 0 HH22 ARG A 9 -11.851 -2.813 -13.306 1.00 43.23 H new ATOM 148 N ALA A 10 -15.883 -9.643 -12.130 1.00 52.22 N ATOM 149 CA ALA A 10 -16.903 -10.685 -12.134 1.00 5.23 C ATOM 150 C ALA A 10 -16.421 -11.926 -11.391 1.00 34.12 C ATOM 151 O ALA A 10 -15.350 -12.459 -11.682 1.00 31.35 O ATOM 152 CB ALA A 10 -17.290 -11.039 -13.562 1.00 41.10 C ATOM 0 H ALA A 10 -15.089 -9.827 -12.744 1.00 52.22 H new ATOM 0 HA ALA A 10 -17.782 -10.302 -11.616 1.00 5.23 H new ATOM 0 HB1 ALA A 10 -18.052 -11.818 -13.550 1.00 41.10 H new ATOM 0 HB2 ALA A 10 -17.683 -10.154 -14.062 1.00 41.10 H new ATOM 0 HB3 ALA A 10 -16.412 -11.399 -14.098 1.00 41.10 H new ATOM 158 N ARG A 11 -17.219 -12.382 -10.429 1.00 42.14 N ATOM 159 CA ARG A 11 -16.873 -13.559 -9.644 1.00 20.41 C ATOM 160 C ARG A 11 -17.716 -14.760 -10.063 1.00 61.02 C ATOM 161 O ARG A 11 -18.892 -14.858 -9.712 1.00 24.51 O ATOM 162 CB ARG A 11 -17.070 -13.280 -8.152 1.00 63.00 C ATOM 163 CG ARG A 11 -15.788 -12.907 -7.428 1.00 22.25 C ATOM 164 CD ARG A 11 -16.076 -12.249 -6.087 1.00 33.32 C ATOM 165 NE ARG A 11 -14.912 -11.539 -5.564 1.00 34.22 N ATOM 166 CZ ARG A 11 -14.921 -10.850 -4.429 1.00 53.41 C ATOM 167 NH1 ARG A 11 -16.028 -10.778 -3.701 1.00 74.53 N ATOM 168 NH2 ARG A 11 -13.823 -10.230 -4.018 1.00 63.10 N ATOM 0 H ARG A 11 -18.109 -11.953 -10.176 1.00 42.14 H new ATOM 0 HA ARG A 11 -15.824 -13.791 -9.828 1.00 20.41 H new ATOM 0 HB2 ARG A 11 -17.792 -12.472 -8.034 1.00 63.00 H new ATOM 0 HB3 ARG A 11 -17.500 -14.163 -7.680 1.00 63.00 H new ATOM 0 HG2 ARG A 11 -15.183 -13.800 -7.274 1.00 22.25 H new ATOM 0 HG3 ARG A 11 -15.202 -12.229 -8.049 1.00 22.25 H new ATOM 0 HD2 ARG A 11 -16.907 -11.552 -6.196 1.00 33.32 H new ATOM 0 HD3 ARG A 11 -16.389 -13.008 -5.371 1.00 33.32 H new ATOM 0 HE ARG A 11 -14.045 -11.574 -6.100 1.00 34.22 H new ATOM 0 HH11 ARG A 11 -16.875 -11.253 -4.013 1.00 74.53 H new ATOM 0 HH12 ARG A 11 -16.032 -10.248 -2.830 1.00 74.53 H new ATOM 0 HH21 ARG A 11 -12.970 -10.282 -4.574 1.00 63.10 H new ATOM 0 HH22 ARG A 11 -13.832 -9.701 -3.146 1.00 63.10 H new ATOM 182 N ILE A 12 -17.106 -15.670 -10.816 1.00 51.01 N ATOM 183 CA ILE A 12 -17.800 -16.864 -11.282 1.00 72.35 C ATOM 184 C ILE A 12 -17.559 -18.042 -10.345 1.00 4.33 C ATOM 185 O ILE A 12 -16.415 -18.392 -10.052 1.00 74.25 O ATOM 186 CB ILE A 12 -17.356 -17.254 -12.704 1.00 65.31 C ATOM 187 CG1 ILE A 12 -17.644 -16.114 -13.683 1.00 41.13 C ATOM 188 CG2 ILE A 12 -18.057 -18.529 -13.147 1.00 30.22 C ATOM 189 CD1 ILE A 12 -16.998 -16.303 -15.038 1.00 52.15 C ATOM 0 H ILE A 12 -16.133 -15.603 -11.116 1.00 51.01 H new ATOM 0 HA ILE A 12 -18.864 -16.626 -11.295 1.00 72.35 H new ATOM 0 HB ILE A 12 -16.282 -17.437 -12.695 1.00 65.31 H new ATOM 0 HG12 ILE A 12 -18.722 -16.022 -13.813 1.00 41.13 H new ATOM 0 HG13 ILE A 12 -17.294 -15.177 -13.250 1.00 41.13 H new ATOM 0 HG21 ILE A 12 -17.733 -18.791 -14.154 1.00 30.22 H new ATOM 0 HG22 ILE A 12 -17.806 -19.339 -12.462 1.00 30.22 H new ATOM 0 HG23 ILE A 12 -19.136 -18.372 -13.143 1.00 30.22 H new ATOM 0 HD11 ILE A 12 -17.245 -15.457 -15.680 1.00 52.15 H new ATOM 0 HD12 ILE A 12 -15.916 -16.365 -14.920 1.00 52.15 H new ATOM 0 HD13 ILE A 12 -17.367 -17.223 -15.492 1.00 52.15 H new ATOM 201 N TYR A 13 -18.643 -18.652 -9.879 1.00 1.11 N ATOM 202 CA TYR A 13 -18.549 -19.791 -8.974 1.00 32.05 C ATOM 203 C TYR A 13 -19.197 -21.029 -9.587 1.00 3.15 C ATOM 204 O TYR A 13 -20.238 -20.942 -10.238 1.00 35.14 O ATOM 205 CB TYR A 13 -19.217 -19.463 -7.636 1.00 25.31 C ATOM 206 CG TYR A 13 -19.341 -20.654 -6.714 1.00 31.45 C ATOM 207 CD1 TYR A 13 -18.227 -21.407 -6.363 1.00 4.30 C ATOM 208 CD2 TYR A 13 -20.573 -21.027 -6.191 1.00 52.01 C ATOM 209 CE1 TYR A 13 -18.337 -22.496 -5.521 1.00 24.44 C ATOM 210 CE2 TYR A 13 -20.693 -22.114 -5.347 1.00 24.51 C ATOM 211 CZ TYR A 13 -19.571 -22.846 -5.016 1.00 72.10 C ATOM 212 OH TYR A 13 -19.684 -23.929 -4.176 1.00 31.11 O ATOM 0 H TYR A 13 -19.597 -18.377 -10.113 1.00 1.11 H new ATOM 0 HA TYR A 13 -17.493 -20.001 -8.804 1.00 32.05 H new ATOM 0 HB2 TYR A 13 -18.643 -18.684 -7.134 1.00 25.31 H new ATOM 0 HB3 TYR A 13 -20.210 -19.056 -7.825 1.00 25.31 H new ATOM 0 HD1 TYR A 13 -17.258 -21.136 -6.756 1.00 4.30 H new ATOM 0 HD2 TYR A 13 -21.453 -20.457 -6.449 1.00 52.01 H new ATOM 0 HE1 TYR A 13 -17.461 -23.071 -5.259 1.00 24.44 H new ATOM 0 HE2 TYR A 13 -21.659 -22.389 -4.949 1.00 24.51 H new ATOM 0 HH TYR A 13 -20.620 -24.039 -3.909 1.00 31.11 H new ATOM 222 N LYS A 14 -18.571 -22.182 -9.375 1.00 73.11 N ATOM 223 CA LYS A 14 -19.085 -23.440 -9.904 1.00 65.22 C ATOM 224 C LYS A 14 -19.644 -24.313 -8.785 1.00 44.13 C ATOM 225 O LYS A 14 -18.938 -25.128 -8.191 1.00 33.11 O ATOM 226 CB LYS A 14 -17.979 -24.192 -10.649 1.00 53.03 C ATOM 227 CG LYS A 14 -18.498 -25.303 -11.546 1.00 54.30 C ATOM 228 CD LYS A 14 -17.364 -26.157 -12.088 1.00 50.44 C ATOM 229 CE LYS A 14 -17.878 -27.225 -13.042 1.00 10.33 C ATOM 230 NZ LYS A 14 -18.480 -28.376 -12.313 1.00 42.45 N ATOM 0 H LYS A 14 -17.707 -22.271 -8.840 1.00 73.11 H new ATOM 0 HA LYS A 14 -19.893 -23.211 -10.599 1.00 65.22 H new ATOM 0 HB2 LYS A 14 -17.412 -23.483 -11.253 1.00 53.03 H new ATOM 0 HB3 LYS A 14 -17.286 -24.617 -9.922 1.00 53.03 H new ATOM 0 HG2 LYS A 14 -19.191 -25.930 -10.986 1.00 54.30 H new ATOM 0 HG3 LYS A 14 -19.058 -24.871 -12.375 1.00 54.30 H new ATOM 0 HD2 LYS A 14 -16.644 -25.522 -12.604 1.00 50.44 H new ATOM 0 HD3 LYS A 14 -16.836 -26.630 -11.260 1.00 50.44 H new ATOM 0 HE2 LYS A 14 -18.621 -26.789 -13.709 1.00 10.33 H new ATOM 0 HE3 LYS A 14 -17.058 -27.579 -13.667 1.00 10.33 H new ATOM 0 HZ1 LYS A 14 -18.818 -29.082 -12.998 1.00 42.45 H new ATOM 0 HZ2 LYS A 14 -17.764 -28.808 -11.695 1.00 42.45 H new ATOM 0 HZ3 LYS A 14 -19.279 -28.042 -11.737 1.00 42.45 H new ATOM 244 N PRO A 15 -20.942 -24.142 -8.492 1.00 45.42 N ATOM 245 CA PRO A 15 -21.624 -24.907 -7.445 1.00 50.40 C ATOM 246 C PRO A 15 -21.802 -26.374 -7.821 1.00 12.42 C ATOM 247 O PRO A 15 -21.695 -26.741 -8.990 1.00 34.10 O ATOM 248 CB PRO A 15 -22.985 -24.215 -7.329 1.00 45.42 C ATOM 249 CG PRO A 15 -23.203 -23.586 -8.662 1.00 13.41 C ATOM 250 CD PRO A 15 -21.842 -23.188 -9.161 1.00 51.24 C ATOM 0 HA PRO A 15 -21.056 -24.920 -6.515 1.00 50.40 H new ATOM 0 HB2 PRO A 15 -23.774 -24.929 -7.094 1.00 45.42 H new ATOM 0 HB3 PRO A 15 -22.984 -23.469 -6.534 1.00 45.42 H new ATOM 0 HG2 PRO A 15 -23.682 -24.284 -9.349 1.00 13.41 H new ATOM 0 HG3 PRO A 15 -23.858 -22.718 -8.581 1.00 13.41 H new ATOM 0 HD2 PRO A 15 -21.774 -23.264 -10.246 1.00 51.24 H new ATOM 0 HD3 PRO A 15 -21.603 -22.158 -8.898 1.00 51.24 H new ATOM 258 N ALA A 16 -22.075 -27.207 -6.822 1.00 1.21 N ATOM 259 CA ALA A 16 -22.271 -28.633 -7.049 1.00 45.15 C ATOM 260 C ALA A 16 -23.613 -28.903 -7.721 1.00 20.10 C ATOM 261 O ALA A 16 -24.561 -28.132 -7.569 1.00 62.25 O ATOM 262 CB ALA A 16 -22.171 -29.396 -5.736 1.00 54.41 C ATOM 0 H ALA A 16 -22.165 -26.919 -5.848 1.00 1.21 H new ATOM 0 HA ALA A 16 -21.484 -28.981 -7.718 1.00 45.15 H new ATOM 0 HB1 ALA A 16 -22.320 -30.460 -5.921 1.00 54.41 H new ATOM 0 HB2 ALA A 16 -21.186 -29.238 -5.298 1.00 54.41 H new ATOM 0 HB3 ALA A 16 -22.936 -29.037 -5.048 1.00 54.41 H new ATOM 268 N LYS A 17 -23.688 -30.003 -8.463 1.00 44.14 N ATOM 269 CA LYS A 17 -24.913 -30.375 -9.158 1.00 35.43 C ATOM 270 C LYS A 17 -25.803 -31.237 -8.267 1.00 63.02 C ATOM 271 O LYS A 17 -27.023 -31.264 -8.432 1.00 21.22 O ATOM 272 CB LYS A 17 -24.585 -31.129 -10.449 1.00 5.42 C ATOM 273 CG LYS A 17 -23.871 -32.450 -10.217 1.00 52.22 C ATOM 274 CD LYS A 17 -24.854 -33.606 -10.129 1.00 12.32 C ATOM 275 CE LYS A 17 -24.228 -34.908 -10.602 1.00 4.42 C ATOM 276 NZ LYS A 17 -24.831 -36.091 -9.928 1.00 24.20 N ATOM 0 H LYS A 17 -22.913 -30.653 -8.598 1.00 44.14 H new ATOM 0 HA LYS A 17 -25.451 -29.460 -9.406 1.00 35.43 H new ATOM 0 HB2 LYS A 17 -25.509 -31.316 -10.995 1.00 5.42 H new ATOM 0 HB3 LYS A 17 -23.963 -30.496 -11.082 1.00 5.42 H new ATOM 0 HG2 LYS A 17 -23.166 -32.631 -11.028 1.00 52.22 H new ATOM 0 HG3 LYS A 17 -23.290 -32.394 -9.296 1.00 52.22 H new ATOM 0 HD2 LYS A 17 -25.194 -33.718 -9.100 1.00 12.32 H new ATOM 0 HD3 LYS A 17 -25.734 -33.384 -10.733 1.00 12.32 H new ATOM 0 HE2 LYS A 17 -24.355 -35.001 -11.681 1.00 4.42 H new ATOM 0 HE3 LYS A 17 -23.156 -34.887 -10.408 1.00 4.42 H new ATOM 0 HZ1 LYS A 17 -24.377 -36.959 -10.278 1.00 24.20 H new ATOM 0 HZ2 LYS A 17 -24.688 -36.016 -8.901 1.00 24.20 H new ATOM 0 HZ3 LYS A 17 -25.850 -36.126 -10.134 1.00 24.20 H new ATOM 290 N SER A 18 -25.185 -31.939 -7.322 1.00 64.15 N ATOM 291 CA SER A 18 -25.920 -32.803 -6.407 1.00 74.42 C ATOM 292 C SER A 18 -26.981 -32.012 -5.647 1.00 45.01 C ATOM 293 O SER A 18 -27.049 -30.786 -5.746 1.00 44.12 O ATOM 294 CB SER A 18 -24.961 -33.471 -5.420 1.00 42.53 C ATOM 295 OG SER A 18 -24.269 -32.504 -4.649 1.00 11.43 O ATOM 0 H SER A 18 -24.176 -31.926 -7.171 1.00 64.15 H new ATOM 0 HA SER A 18 -26.418 -33.573 -6.996 1.00 74.42 H new ATOM 0 HB2 SER A 18 -25.518 -34.136 -4.760 1.00 42.53 H new ATOM 0 HB3 SER A 18 -24.245 -34.087 -5.964 1.00 42.53 H new ATOM 0 HG SER A 18 -23.664 -32.956 -4.025 1.00 11.43 H new ATOM 301 N THR A 19 -27.808 -32.723 -4.886 1.00 44.14 N ATOM 302 CA THR A 19 -28.866 -32.089 -4.110 1.00 42.20 C ATOM 303 C THR A 19 -29.876 -31.398 -5.019 1.00 1.40 C ATOM 304 O THR A 19 -30.296 -30.272 -4.752 1.00 15.20 O ATOM 305 CB THR A 19 -28.295 -31.058 -3.118 1.00 25.43 C ATOM 306 OG1 THR A 19 -26.999 -31.473 -2.673 1.00 11.43 O ATOM 307 CG2 THR A 19 -29.219 -30.889 -1.922 1.00 2.34 C ATOM 0 H THR A 19 -27.765 -33.738 -4.791 1.00 44.14 H new ATOM 0 HA THR A 19 -29.366 -32.881 -3.552 1.00 42.20 H new ATOM 0 HB THR A 19 -28.212 -30.099 -3.630 1.00 25.43 H new ATOM 0 HG1 THR A 19 -26.642 -30.812 -2.044 1.00 11.43 H new ATOM 0 HG21 THR A 19 -28.795 -30.156 -1.235 1.00 2.34 H new ATOM 0 HG22 THR A 19 -30.196 -30.545 -2.262 1.00 2.34 H new ATOM 0 HG23 THR A 19 -29.330 -31.845 -1.410 1.00 2.34 H new ATOM 315 N MET A 20 -30.263 -32.079 -6.092 1.00 4.51 N ATOM 316 CA MET A 20 -31.226 -31.530 -7.039 1.00 40.54 C ATOM 317 C MET A 20 -32.147 -32.622 -7.574 1.00 3.54 C ATOM 318 O MET A 20 -31.758 -33.786 -7.658 1.00 34.52 O ATOM 319 CB MET A 20 -30.500 -30.846 -8.199 1.00 42.21 C ATOM 320 CG MET A 20 -29.842 -29.531 -7.814 1.00 2.32 C ATOM 321 SD MET A 20 -29.525 -28.469 -9.236 1.00 21.41 S ATOM 322 CE MET A 20 -29.060 -26.943 -8.423 1.00 41.10 C ATOM 0 H MET A 20 -29.925 -33.012 -6.328 1.00 4.51 H new ATOM 0 HA MET A 20 -31.833 -30.793 -6.514 1.00 40.54 H new ATOM 0 HB2 MET A 20 -29.740 -31.522 -8.590 1.00 42.21 H new ATOM 0 HB3 MET A 20 -31.211 -30.665 -9.005 1.00 42.21 H new ATOM 0 HG2 MET A 20 -30.481 -29.003 -7.107 1.00 2.32 H new ATOM 0 HG3 MET A 20 -28.902 -29.736 -7.302 1.00 2.32 H new ATOM 0 HE1 MET A 20 -28.833 -26.186 -9.173 1.00 41.10 H new ATOM 0 HE2 MET A 20 -29.883 -26.599 -7.797 1.00 41.10 H new ATOM 0 HE3 MET A 20 -28.180 -27.115 -7.803 1.00 41.10 H new ATOM 332 N GLN A 21 -33.367 -32.238 -7.933 1.00 41.54 N ATOM 333 CA GLN A 21 -34.343 -33.186 -8.458 1.00 1.54 C ATOM 334 C GLN A 21 -34.000 -33.582 -9.890 1.00 22.42 C ATOM 335 O GLN A 21 -33.457 -32.783 -10.653 1.00 30.32 O ATOM 336 CB GLN A 21 -35.749 -32.585 -8.405 1.00 30.34 C ATOM 337 CG GLN A 21 -36.248 -32.329 -6.992 1.00 24.12 C ATOM 338 CD GLN A 21 -36.172 -33.563 -6.114 1.00 2.21 C ATOM 339 OE1 GLN A 21 -35.185 -33.778 -5.409 1.00 52.44 O ATOM 340 NE2 GLN A 21 -37.216 -34.382 -6.151 1.00 33.21 N ATOM 0 H GLN A 21 -33.704 -31.277 -7.870 1.00 41.54 H new ATOM 0 HA GLN A 21 -34.315 -34.081 -7.836 1.00 1.54 H new ATOM 0 HB2 GLN A 21 -35.755 -31.646 -8.959 1.00 30.34 H new ATOM 0 HB3 GLN A 21 -36.442 -33.258 -8.910 1.00 30.34 H new ATOM 0 HG2 GLN A 21 -35.659 -31.530 -6.542 1.00 24.12 H new ATOM 0 HG3 GLN A 21 -37.280 -31.980 -7.033 1.00 24.12 H new ATOM 0 HE21 GLN A 21 -38.013 -34.165 -6.749 1.00 33.21 H new ATOM 0 HE22 GLN A 21 -37.221 -35.228 -5.581 1.00 33.21 H new ATOM 349 N SER A 22 -34.320 -34.822 -10.248 1.00 55.13 N ATOM 350 CA SER A 22 -34.042 -35.326 -11.589 1.00 20.33 C ATOM 351 C SER A 22 -35.311 -35.344 -12.435 1.00 62.53 C ATOM 352 O SER A 22 -36.421 -35.413 -11.910 1.00 74.45 O ATOM 353 CB SER A 22 -33.446 -36.732 -11.512 1.00 64.45 C ATOM 354 OG SER A 22 -33.380 -37.328 -12.798 1.00 12.23 O ATOM 0 H SER A 22 -34.771 -35.496 -9.629 1.00 55.13 H new ATOM 0 HA SER A 22 -33.321 -34.659 -12.061 1.00 20.33 H new ATOM 0 HB2 SER A 22 -32.447 -36.684 -11.078 1.00 64.45 H new ATOM 0 HB3 SER A 22 -34.052 -37.352 -10.851 1.00 64.45 H new ATOM 0 HG SER A 22 -32.994 -38.226 -12.723 1.00 12.23 H new ATOM 360 N GLY A 23 -35.136 -35.282 -13.752 1.00 55.35 N ATOM 361 CA GLY A 23 -36.275 -35.292 -14.653 1.00 5.24 C ATOM 362 C GLY A 23 -36.491 -33.952 -15.328 1.00 73.35 C ATOM 363 O GLY A 23 -36.504 -33.864 -16.557 1.00 52.44 O ATOM 0 H GLY A 23 -34.227 -35.225 -14.211 1.00 55.35 H new ATOM 0 HA2 GLY A 23 -36.126 -36.059 -15.413 1.00 5.24 H new ATOM 0 HA3 GLY A 23 -37.172 -35.564 -14.097 1.00 5.24 H new ATOM 367 N HIS A 24 -36.664 -32.907 -14.525 1.00 71.34 N ATOM 368 CA HIS A 24 -36.882 -31.565 -15.054 1.00 32.40 C ATOM 369 C HIS A 24 -35.936 -30.563 -14.400 1.00 33.50 C ATOM 370 O HIS A 24 -36.372 -29.646 -13.703 1.00 61.25 O ATOM 371 CB HIS A 24 -38.333 -31.137 -14.829 1.00 44.53 C ATOM 372 CG HIS A 24 -38.794 -30.068 -15.772 1.00 61.43 C ATOM 373 ND1 HIS A 24 -39.573 -30.327 -16.881 1.00 24.31 N ATOM 374 CD2 HIS A 24 -38.584 -28.731 -15.766 1.00 44.02 C ATOM 375 CE1 HIS A 24 -39.819 -29.196 -17.517 1.00 72.02 C ATOM 376 NE2 HIS A 24 -39.231 -28.212 -16.861 1.00 33.13 N ATOM 0 H HIS A 24 -36.658 -32.963 -13.507 1.00 71.34 H new ATOM 0 HA HIS A 24 -36.678 -31.584 -16.125 1.00 32.40 H new ATOM 0 HB2 HIS A 24 -38.981 -32.007 -14.934 1.00 44.53 H new ATOM 0 HB3 HIS A 24 -38.443 -30.780 -13.805 1.00 44.53 H new ATOM 0 HD2 HIS A 24 -38.014 -28.175 -15.036 1.00 44.02 H new ATOM 0 HE1 HIS A 24 -40.402 -29.093 -18.420 1.00 72.02 H new ATOM 0 HE2 HIS A 24 -39.254 -27.227 -17.125 1.00 33.13 H new ATOM 384 N SER A 25 -34.640 -30.745 -14.628 1.00 44.44 N ATOM 385 CA SER A 25 -33.631 -29.860 -14.058 1.00 13.33 C ATOM 386 C SER A 25 -33.153 -28.845 -15.091 1.00 4.35 C ATOM 387 O SER A 25 -31.953 -28.704 -15.330 1.00 51.50 O ATOM 388 CB SER A 25 -32.444 -30.672 -13.536 1.00 72.23 C ATOM 389 OG SER A 25 -31.659 -29.908 -12.637 1.00 22.45 O ATOM 0 H SER A 25 -34.263 -31.498 -15.204 1.00 44.44 H new ATOM 0 HA SER A 25 -34.085 -29.320 -13.227 1.00 13.33 H new ATOM 0 HB2 SER A 25 -32.806 -31.570 -13.035 1.00 72.23 H new ATOM 0 HB3 SER A 25 -31.828 -31.000 -14.373 1.00 72.23 H new ATOM 0 HG SER A 25 -31.372 -29.080 -13.076 1.00 22.45 H new ATOM 395 N LYS A 26 -34.098 -28.139 -15.700 1.00 52.12 N ATOM 396 CA LYS A 26 -33.776 -27.135 -16.708 1.00 34.02 C ATOM 397 C LYS A 26 -33.613 -25.758 -16.071 1.00 24.24 C ATOM 398 O LYS A 26 -34.369 -24.833 -16.367 1.00 71.10 O ATOM 399 CB LYS A 26 -34.869 -27.087 -17.778 1.00 31.11 C ATOM 400 CG LYS A 26 -34.794 -28.231 -18.774 1.00 52.14 C ATOM 401 CD LYS A 26 -33.674 -28.021 -19.780 1.00 33.21 C ATOM 402 CE LYS A 26 -34.117 -27.129 -20.929 1.00 60.02 C ATOM 403 NZ LYS A 26 -34.829 -27.898 -21.987 1.00 54.12 N ATOM 0 H LYS A 26 -35.095 -28.243 -15.513 1.00 52.12 H new ATOM 0 HA LYS A 26 -32.832 -27.415 -17.175 1.00 34.02 H new ATOM 0 HB2 LYS A 26 -35.844 -27.104 -17.291 1.00 31.11 H new ATOM 0 HB3 LYS A 26 -34.798 -26.142 -18.316 1.00 31.11 H new ATOM 0 HG2 LYS A 26 -34.635 -29.169 -18.241 1.00 52.14 H new ATOM 0 HG3 LYS A 26 -35.745 -28.320 -19.300 1.00 52.14 H new ATOM 0 HD2 LYS A 26 -32.815 -27.573 -19.281 1.00 33.21 H new ATOM 0 HD3 LYS A 26 -33.349 -28.985 -20.171 1.00 33.21 H new ATOM 0 HE2 LYS A 26 -34.771 -26.345 -20.548 1.00 60.02 H new ATOM 0 HE3 LYS A 26 -33.247 -26.636 -21.362 1.00 60.02 H new ATOM 0 HZ1 LYS A 26 -35.114 -27.254 -22.752 1.00 54.12 H new ATOM 0 HZ2 LYS A 26 -34.197 -28.630 -22.369 1.00 54.12 H new ATOM 0 HZ3 LYS A 26 -35.674 -28.348 -21.580 1.00 54.12 H new ATOM 417 N LEU A 27 -32.620 -25.630 -15.197 1.00 35.31 N ATOM 418 CA LEU A 27 -32.357 -24.365 -14.520 1.00 33.44 C ATOM 419 C LEU A 27 -30.876 -24.007 -14.592 1.00 32.23 C ATOM 420 O LEU A 27 -30.062 -24.782 -15.096 1.00 34.04 O ATOM 421 CB LEU A 27 -32.804 -24.444 -13.059 1.00 43.11 C ATOM 422 CG LEU A 27 -34.256 -24.861 -12.822 1.00 20.41 C ATOM 423 CD1 LEU A 27 -34.457 -25.298 -11.380 1.00 31.10 C ATOM 424 CD2 LEU A 27 -35.201 -23.722 -13.174 1.00 72.05 C ATOM 0 H LEU A 27 -31.985 -26.386 -14.941 1.00 35.31 H new ATOM 0 HA LEU A 27 -32.925 -23.585 -15.026 1.00 33.44 H new ATOM 0 HB2 LEU A 27 -32.155 -25.149 -12.539 1.00 43.11 H new ATOM 0 HB3 LEU A 27 -32.648 -23.468 -12.599 1.00 43.11 H new ATOM 0 HG LEU A 27 -34.482 -25.707 -13.470 1.00 20.41 H new ATOM 0 HD11 LEU A 27 -35.496 -25.591 -11.230 1.00 31.10 H new ATOM 0 HD12 LEU A 27 -33.806 -26.145 -11.162 1.00 31.10 H new ATOM 0 HD13 LEU A 27 -34.213 -24.472 -10.712 1.00 31.10 H new ATOM 0 HD21 LEU A 27 -36.230 -24.036 -12.999 1.00 72.05 H new ATOM 0 HD22 LEU A 27 -34.975 -22.856 -12.551 1.00 72.05 H new ATOM 0 HD23 LEU A 27 -35.076 -23.457 -14.224 1.00 72.05 H new ATOM 436 N LYS A 28 -30.532 -22.829 -14.083 1.00 21.03 N ATOM 437 CA LYS A 28 -29.148 -22.368 -14.086 1.00 61.21 C ATOM 438 C LYS A 28 -28.228 -23.407 -13.454 1.00 23.23 C ATOM 439 O LYS A 28 -28.688 -24.333 -12.785 1.00 3.20 O ATOM 440 CB LYS A 28 -29.029 -21.041 -13.334 1.00 52.21 C ATOM 441 CG LYS A 28 -28.821 -21.206 -11.838 1.00 13.22 C ATOM 442 CD LYS A 28 -29.977 -21.953 -11.193 1.00 40.14 C ATOM 443 CE LYS A 28 -31.268 -21.152 -11.268 1.00 34.43 C ATOM 444 NZ LYS A 28 -32.419 -21.900 -10.689 1.00 72.13 N ATOM 0 H LYS A 28 -31.193 -22.175 -13.663 1.00 21.03 H new ATOM 0 HA LYS A 28 -28.843 -22.220 -15.122 1.00 61.21 H new ATOM 0 HB2 LYS A 28 -28.196 -20.472 -13.748 1.00 52.21 H new ATOM 0 HB3 LYS A 28 -29.932 -20.454 -13.504 1.00 52.21 H new ATOM 0 HG2 LYS A 28 -27.891 -21.746 -11.656 1.00 13.22 H new ATOM 0 HG3 LYS A 28 -28.716 -20.225 -11.374 1.00 13.22 H new ATOM 0 HD2 LYS A 28 -30.114 -22.913 -11.690 1.00 40.14 H new ATOM 0 HD3 LYS A 28 -29.739 -22.165 -10.151 1.00 40.14 H new ATOM 0 HE2 LYS A 28 -31.142 -20.210 -10.735 1.00 34.43 H new ATOM 0 HE3 LYS A 28 -31.482 -20.904 -12.308 1.00 34.43 H new ATOM 0 HZ1 LYS A 28 -33.219 -21.873 -11.352 1.00 72.13 H new ATOM 0 HZ2 LYS A 28 -32.142 -22.888 -10.521 1.00 72.13 H new ATOM 0 HZ3 LYS A 28 -32.701 -21.461 -9.789 1.00 72.13 H new ATOM 458 N ALA A 29 -26.926 -23.247 -13.669 1.00 52.32 N ATOM 459 CA ALA A 29 -25.941 -24.169 -13.117 1.00 52.05 C ATOM 460 C ALA A 29 -24.727 -23.418 -12.581 1.00 24.32 C ATOM 461 O ALA A 29 -24.217 -23.732 -11.505 1.00 14.24 O ATOM 462 CB ALA A 29 -25.517 -25.180 -14.172 1.00 3.11 C ATOM 0 H ALA A 29 -26.529 -22.487 -14.222 1.00 52.32 H new ATOM 0 HA ALA A 29 -26.402 -24.701 -12.285 1.00 52.05 H new ATOM 0 HB1 ALA A 29 -24.781 -25.863 -13.747 1.00 3.11 H new ATOM 0 HB2 ALA A 29 -26.387 -25.746 -14.504 1.00 3.11 H new ATOM 0 HB3 ALA A 29 -25.078 -24.657 -15.022 1.00 3.11 H new ATOM 468 N TRP A 30 -24.267 -22.429 -13.338 1.00 63.33 N ATOM 469 CA TRP A 30 -23.111 -21.635 -12.938 1.00 44.02 C ATOM 470 C TRP A 30 -23.547 -20.333 -12.276 1.00 53.54 C ATOM 471 O TRP A 30 -24.622 -19.807 -12.567 1.00 13.24 O ATOM 472 CB TRP A 30 -22.229 -21.333 -14.151 1.00 74.31 C ATOM 473 CG TRP A 30 -21.350 -22.481 -14.546 1.00 62.41 C ATOM 474 CD1 TRP A 30 -21.727 -23.612 -15.213 1.00 0.03 C ATOM 475 CD2 TRP A 30 -19.946 -22.610 -14.297 1.00 10.21 C ATOM 476 NE1 TRP A 30 -20.642 -24.436 -15.392 1.00 74.11 N ATOM 477 CE2 TRP A 30 -19.537 -23.843 -14.841 1.00 12.34 C ATOM 478 CE3 TRP A 30 -18.993 -21.802 -13.670 1.00 51.21 C ATOM 479 CZ2 TRP A 30 -18.219 -24.286 -14.773 1.00 60.54 C ATOM 480 CZ3 TRP A 30 -17.686 -22.243 -13.604 1.00 64.10 C ATOM 481 CH2 TRP A 30 -17.308 -23.476 -14.154 1.00 4.43 C ATOM 0 H TRP A 30 -24.676 -22.158 -14.232 1.00 63.33 H new ATOM 0 HA TRP A 30 -22.537 -22.214 -12.215 1.00 44.02 H new ATOM 0 HB2 TRP A 30 -22.864 -21.064 -14.995 1.00 74.31 H new ATOM 0 HB3 TRP A 30 -21.606 -20.466 -13.931 1.00 74.31 H new ATOM 0 HD1 TRP A 30 -22.730 -23.827 -15.550 1.00 0.03 H new ATOM 0 HE1 TRP A 30 -20.657 -25.342 -15.859 1.00 74.11 H new ATOM 0 HE3 TRP A 30 -19.274 -20.850 -13.245 1.00 51.21 H new ATOM 0 HZ2 TRP A 30 -17.926 -25.236 -15.194 1.00 60.54 H new ATOM 0 HZ3 TRP A 30 -16.942 -21.627 -13.120 1.00 64.10 H new ATOM 0 HH2 TRP A 30 -16.277 -23.792 -14.087 1.00 4.43 H new ATOM 492 N LYS A 31 -22.708 -19.817 -11.385 1.00 34.04 N ATOM 493 CA LYS A 31 -23.007 -18.575 -10.681 1.00 21.32 C ATOM 494 C LYS A 31 -22.051 -17.465 -11.107 1.00 23.22 C ATOM 495 O LYS A 31 -20.893 -17.723 -11.439 1.00 74.33 O ATOM 496 CB LYS A 31 -22.916 -18.788 -9.168 1.00 71.04 C ATOM 497 CG LYS A 31 -23.829 -17.873 -8.370 1.00 52.10 C ATOM 498 CD LYS A 31 -23.793 -18.204 -6.887 1.00 61.24 C ATOM 499 CE LYS A 31 -22.568 -17.607 -6.213 1.00 3.33 C ATOM 500 NZ LYS A 31 -22.792 -16.191 -5.808 1.00 61.32 N ATOM 0 H LYS A 31 -21.815 -20.240 -11.133 1.00 34.04 H new ATOM 0 HA LYS A 31 -24.023 -18.275 -10.939 1.00 21.32 H new ATOM 0 HB2 LYS A 31 -23.164 -19.825 -8.940 1.00 71.04 H new ATOM 0 HB3 LYS A 31 -21.886 -18.629 -8.848 1.00 71.04 H new ATOM 0 HG2 LYS A 31 -23.528 -16.836 -8.520 1.00 52.10 H new ATOM 0 HG3 LYS A 31 -24.850 -17.965 -8.739 1.00 52.10 H new ATOM 0 HD2 LYS A 31 -24.695 -17.825 -6.406 1.00 61.24 H new ATOM 0 HD3 LYS A 31 -23.792 -19.286 -6.754 1.00 61.24 H new ATOM 0 HE2 LYS A 31 -22.312 -18.200 -5.335 1.00 3.33 H new ATOM 0 HE3 LYS A 31 -21.718 -17.660 -6.893 1.00 3.33 H new ATOM 0 HZ1 LYS A 31 -21.934 -15.820 -5.352 1.00 61.32 H new ATOM 0 HZ2 LYS A 31 -23.012 -15.620 -6.649 1.00 61.32 H new ATOM 0 HZ3 LYS A 31 -23.587 -16.143 -5.140 1.00 61.32 H new ATOM 514 N LEU A 32 -22.542 -16.231 -11.094 1.00 71.40 N ATOM 515 CA LEU A 32 -21.731 -15.082 -11.478 1.00 51.53 C ATOM 516 C LEU A 32 -22.175 -13.828 -10.731 1.00 24.10 C ATOM 517 O LEU A 32 -23.357 -13.487 -10.720 1.00 61.03 O ATOM 518 CB LEU A 32 -21.822 -14.848 -12.988 1.00 21.23 C ATOM 519 CG LEU A 32 -21.005 -13.679 -13.538 1.00 11.53 C ATOM 520 CD1 LEU A 32 -21.763 -12.371 -13.365 1.00 43.14 C ATOM 521 CD2 LEU A 32 -19.650 -13.605 -12.850 1.00 21.54 C ATOM 0 H LEU A 32 -23.498 -16.001 -10.822 1.00 71.40 H new ATOM 0 HA LEU A 32 -20.696 -15.295 -11.211 1.00 51.53 H new ATOM 0 HB2 LEU A 32 -21.503 -15.758 -13.496 1.00 21.23 H new ATOM 0 HB3 LEU A 32 -22.868 -14.688 -13.248 1.00 21.23 H new ATOM 0 HG LEU A 32 -20.842 -13.844 -14.603 1.00 11.53 H new ATOM 0 HD11 LEU A 32 -21.167 -11.550 -13.762 1.00 43.14 H new ATOM 0 HD12 LEU A 32 -22.710 -12.425 -13.903 1.00 43.14 H new ATOM 0 HD13 LEU A 32 -21.957 -12.200 -12.306 1.00 43.14 H new ATOM 0 HD21 LEU A 32 -19.082 -12.767 -13.254 1.00 21.54 H new ATOM 0 HD22 LEU A 32 -19.793 -13.463 -11.779 1.00 21.54 H new ATOM 0 HD23 LEU A 32 -19.103 -14.532 -13.024 1.00 21.54 H new ATOM 533 N GLU A 33 -21.218 -13.146 -10.109 1.00 44.22 N ATOM 534 CA GLU A 33 -21.512 -11.929 -9.361 1.00 45.42 C ATOM 535 C GLU A 33 -20.534 -10.815 -9.728 1.00 33.14 C ATOM 536 O GLU A 33 -19.335 -10.916 -9.467 1.00 31.44 O ATOM 537 CB GLU A 33 -21.450 -12.202 -7.857 1.00 10.22 C ATOM 538 CG GLU A 33 -20.417 -13.245 -7.468 1.00 65.33 C ATOM 539 CD GLU A 33 -19.759 -12.949 -6.135 1.00 54.42 C ATOM 540 OE1 GLU A 33 -20.258 -12.060 -5.413 1.00 54.41 O ATOM 541 OE2 GLU A 33 -18.746 -13.603 -5.813 1.00 35.41 O ATOM 0 H GLU A 33 -20.234 -13.415 -10.108 1.00 44.22 H new ATOM 0 HA GLU A 33 -22.519 -11.605 -9.623 1.00 45.42 H new ATOM 0 HB2 GLU A 33 -21.227 -11.271 -7.337 1.00 10.22 H new ATOM 0 HB3 GLU A 33 -22.432 -12.531 -7.516 1.00 10.22 H new ATOM 0 HG2 GLU A 33 -20.894 -14.224 -7.423 1.00 65.33 H new ATOM 0 HG3 GLU A 33 -19.652 -13.299 -8.242 1.00 65.33 H new ATOM 548 N PHE A 34 -21.055 -9.755 -10.334 1.00 54.10 N ATOM 549 CA PHE A 34 -20.229 -8.622 -10.739 1.00 32.12 C ATOM 550 C PHE A 34 -20.327 -7.488 -9.723 1.00 21.12 C ATOM 551 O PHE A 34 -21.397 -7.217 -9.181 1.00 54.11 O ATOM 552 CB PHE A 34 -20.654 -8.122 -12.121 1.00 15.11 C ATOM 553 CG PHE A 34 -21.964 -7.387 -12.116 1.00 53.51 C ATOM 554 CD1 PHE A 34 -23.163 -8.081 -12.092 1.00 53.23 C ATOM 555 CD2 PHE A 34 -21.996 -6.002 -12.134 1.00 23.05 C ATOM 556 CE1 PHE A 34 -24.370 -7.406 -12.089 1.00 25.13 C ATOM 557 CE2 PHE A 34 -23.199 -5.322 -12.130 1.00 12.34 C ATOM 558 CZ PHE A 34 -24.388 -6.025 -12.106 1.00 21.13 C ATOM 0 H PHE A 34 -22.046 -9.655 -10.556 1.00 54.10 H new ATOM 0 HA PHE A 34 -19.193 -8.957 -10.785 1.00 32.12 H new ATOM 0 HB2 PHE A 34 -19.879 -7.464 -12.515 1.00 15.11 H new ATOM 0 HB3 PHE A 34 -20.726 -8.972 -12.800 1.00 15.11 H new ATOM 0 HD1 PHE A 34 -23.155 -9.161 -12.075 1.00 53.23 H new ATOM 0 HD2 PHE A 34 -21.070 -5.447 -12.151 1.00 23.05 H new ATOM 0 HE1 PHE A 34 -25.298 -7.958 -12.073 1.00 25.13 H new ATOM 0 HE2 PHE A 34 -23.210 -4.242 -12.146 1.00 12.34 H new ATOM 0 HZ PHE A 34 -25.330 -5.496 -12.101 1.00 21.13 H new ATOM 568 N GLU A 35 -19.199 -6.830 -9.470 1.00 13.25 N ATOM 569 CA GLU A 35 -19.157 -5.727 -8.517 1.00 41.15 C ATOM 570 C GLU A 35 -20.133 -4.624 -8.920 1.00 32.23 C ATOM 571 O GLU A 35 -20.565 -4.531 -10.069 1.00 11.15 O ATOM 572 CB GLU A 35 -17.739 -5.159 -8.423 1.00 52.15 C ATOM 573 CG GLU A 35 -16.929 -5.734 -7.274 1.00 1.32 C ATOM 574 CD GLU A 35 -17.104 -7.233 -7.130 1.00 2.14 C ATOM 575 OE1 GLU A 35 -16.766 -7.963 -8.086 1.00 34.03 O ATOM 576 OE2 GLU A 35 -17.576 -7.676 -6.062 1.00 52.10 O ATOM 0 H GLU A 35 -18.304 -7.041 -9.911 1.00 13.25 H new ATOM 0 HA GLU A 35 -19.452 -6.112 -7.541 1.00 41.15 H new ATOM 0 HB2 GLU A 35 -17.216 -5.354 -9.359 1.00 52.15 H new ATOM 0 HB3 GLU A 35 -17.797 -4.076 -8.310 1.00 52.15 H new ATOM 0 HG2 GLU A 35 -15.874 -5.508 -7.429 1.00 1.32 H new ATOM 0 HG3 GLU A 35 -17.226 -5.246 -6.345 1.00 1.32 H new ATOM 583 N PRO A 36 -20.489 -3.768 -7.950 1.00 55.32 N ATOM 584 CA PRO A 36 -21.418 -2.657 -8.178 1.00 44.32 C ATOM 585 C PRO A 36 -20.811 -1.565 -9.054 1.00 51.13 C ATOM 586 O PRO A 36 -19.654 -1.656 -9.465 1.00 20.44 O ATOM 587 CB PRO A 36 -21.684 -2.122 -6.769 1.00 35.32 C ATOM 588 CG PRO A 36 -20.480 -2.511 -5.982 1.00 10.41 C ATOM 589 CD PRO A 36 -20.013 -3.818 -6.557 1.00 71.34 C ATOM 0 HA PRO A 36 -22.317 -2.979 -8.704 1.00 44.32 H new ATOM 0 HB2 PRO A 36 -21.820 -1.041 -6.775 1.00 35.32 H new ATOM 0 HB3 PRO A 36 -22.590 -2.555 -6.346 1.00 35.32 H new ATOM 0 HG2 PRO A 36 -19.702 -1.751 -6.058 1.00 10.41 H new ATOM 0 HG3 PRO A 36 -20.722 -2.614 -4.924 1.00 10.41 H new ATOM 0 HD2 PRO A 36 -18.928 -3.915 -6.506 1.00 71.34 H new ATOM 0 HD3 PRO A 36 -20.434 -4.667 -6.019 1.00 71.34 H new ATOM 597 N SER A 37 -21.601 -0.534 -9.337 1.00 44.32 N ATOM 598 CA SER A 37 -21.142 0.574 -10.168 1.00 64.23 C ATOM 599 C SER A 37 -21.859 1.868 -9.794 1.00 34.34 C ATOM 600 O SER A 37 -23.080 1.972 -9.917 1.00 70.32 O ATOM 601 CB SER A 37 -21.374 0.260 -11.648 1.00 31.33 C ATOM 602 OG SER A 37 -20.266 -0.429 -12.202 1.00 61.12 O ATOM 0 H SER A 37 -22.561 -0.443 -9.004 1.00 44.32 H new ATOM 0 HA SER A 37 -20.074 0.707 -9.994 1.00 64.23 H new ATOM 0 HB2 SER A 37 -22.274 -0.344 -11.758 1.00 31.33 H new ATOM 0 HB3 SER A 37 -21.542 1.186 -12.198 1.00 31.33 H new ATOM 0 HG SER A 37 -19.743 -0.839 -11.482 1.00 61.12 H new ATOM 608 N CYS A 38 -21.092 2.849 -9.334 1.00 71.12 N ATOM 609 CA CYS A 38 -21.653 4.137 -8.939 1.00 24.23 C ATOM 610 C CYS A 38 -22.292 4.840 -10.132 1.00 43.13 C ATOM 611 O CYS A 38 -23.328 5.494 -10.000 1.00 25.30 O ATOM 612 CB CYS A 38 -20.566 5.025 -8.331 1.00 41.13 C ATOM 613 SG CYS A 38 -21.153 6.649 -7.797 1.00 22.12 S ATOM 0 H CYS A 38 -20.080 2.778 -9.225 1.00 71.12 H new ATOM 0 HA CYS A 38 -22.425 3.956 -8.191 1.00 24.23 H new ATOM 0 HB2 CYS A 38 -20.127 4.510 -7.476 1.00 41.13 H new ATOM 0 HB3 CYS A 38 -19.771 5.161 -9.064 1.00 41.13 H new ATOM 0 HG CYS A 38 -20.162 7.325 -7.295 1.00 22.12 H new ATOM 619 N THR A 39 -21.667 4.703 -11.298 1.00 52.13 N ATOM 620 CA THR A 39 -22.174 5.326 -12.514 1.00 1.40 C ATOM 621 C THR A 39 -23.007 4.345 -13.330 1.00 2.11 C ATOM 622 O THR A 39 -22.867 4.264 -14.550 1.00 32.55 O ATOM 623 CB THR A 39 -21.026 5.861 -13.390 1.00 44.25 C ATOM 624 OG1 THR A 39 -20.036 6.493 -12.571 1.00 33.41 O ATOM 625 CG2 THR A 39 -21.547 6.853 -14.419 1.00 74.15 C ATOM 0 H THR A 39 -20.809 4.166 -11.425 1.00 52.13 H new ATOM 0 HA THR A 39 -22.804 6.160 -12.203 1.00 1.40 H new ATOM 0 HB THR A 39 -20.578 5.018 -13.915 1.00 44.25 H new ATOM 0 HG1 THR A 39 -19.309 6.828 -13.136 1.00 33.41 H new ATOM 0 HG21 THR A 39 -20.718 7.217 -15.026 1.00 74.15 H new ATOM 0 HG22 THR A 39 -22.278 6.361 -15.061 1.00 74.15 H new ATOM 0 HG23 THR A 39 -22.019 7.693 -13.909 1.00 74.15 H new ATOM 633 N GLN A 40 -23.873 3.602 -12.649 1.00 14.10 N ATOM 634 CA GLN A 40 -24.728 2.626 -13.312 1.00 61.42 C ATOM 635 C GLN A 40 -25.581 3.290 -14.388 1.00 64.43 C ATOM 636 O GLN A 40 -26.412 4.149 -14.093 1.00 13.34 O ATOM 637 CB GLN A 40 -25.628 1.926 -12.292 1.00 50.51 C ATOM 638 CG GLN A 40 -26.136 0.571 -12.756 1.00 32.14 C ATOM 639 CD GLN A 40 -26.490 -0.346 -11.601 1.00 73.44 C ATOM 640 OE1 GLN A 40 -27.014 0.097 -10.579 1.00 53.52 O ATOM 641 NE2 GLN A 40 -26.205 -1.633 -11.759 1.00 10.13 N ATOM 0 H GLN A 40 -24.001 3.658 -11.639 1.00 14.10 H new ATOM 0 HA GLN A 40 -24.086 1.885 -13.788 1.00 61.42 H new ATOM 0 HB2 GLN A 40 -25.076 1.798 -11.361 1.00 50.51 H new ATOM 0 HB3 GLN A 40 -26.481 2.568 -12.072 1.00 50.51 H new ATOM 0 HG2 GLN A 40 -27.015 0.713 -13.385 1.00 32.14 H new ATOM 0 HG3 GLN A 40 -25.375 0.094 -13.374 1.00 32.14 H new ATOM 0 HE21 GLN A 40 -25.770 -1.957 -12.623 1.00 10.13 H new ATOM 0 HE22 GLN A 40 -26.421 -2.298 -11.016 1.00 10.13 H new ATOM 650 N TYR A 41 -25.369 2.888 -15.636 1.00 42.23 N ATOM 651 CA TYR A 41 -26.117 3.447 -16.756 1.00 44.24 C ATOM 652 C TYR A 41 -27.214 2.490 -17.212 1.00 30.23 C ATOM 653 O TYR A 41 -27.025 1.273 -17.231 1.00 24.44 O ATOM 654 CB TYR A 41 -25.175 3.752 -17.923 1.00 52.13 C ATOM 655 CG TYR A 41 -24.464 2.532 -18.463 1.00 41.12 C ATOM 656 CD1 TYR A 41 -25.060 1.726 -19.426 1.00 43.01 C ATOM 657 CD2 TYR A 41 -23.197 2.186 -18.011 1.00 32.35 C ATOM 658 CE1 TYR A 41 -24.414 0.610 -19.921 1.00 43.32 C ATOM 659 CE2 TYR A 41 -22.543 1.071 -18.502 1.00 55.42 C ATOM 660 CZ TYR A 41 -23.156 0.286 -19.456 1.00 45.45 C ATOM 661 OH TYR A 41 -22.509 -0.824 -19.949 1.00 0.50 O ATOM 0 H TYR A 41 -24.686 2.177 -15.898 1.00 42.23 H new ATOM 0 HA TYR A 41 -26.584 4.373 -16.421 1.00 44.24 H new ATOM 0 HB2 TYR A 41 -25.746 4.215 -18.728 1.00 52.13 H new ATOM 0 HB3 TYR A 41 -24.432 4.481 -17.598 1.00 52.13 H new ATOM 0 HD1 TYR A 41 -26.044 1.976 -19.793 1.00 43.01 H new ATOM 0 HD2 TYR A 41 -22.715 2.798 -17.263 1.00 32.35 H new ATOM 0 HE1 TYR A 41 -24.891 -0.006 -20.669 1.00 43.32 H new ATOM 0 HE2 TYR A 41 -21.558 0.816 -18.140 1.00 55.42 H new ATOM 0 HH TYR A 41 -21.633 -0.910 -19.518 1.00 0.50 H new ATOM 671 N THR A 42 -28.363 3.049 -17.577 1.00 71.54 N ATOM 672 CA THR A 42 -29.492 2.247 -18.033 1.00 13.15 C ATOM 673 C THR A 42 -29.151 1.492 -19.312 1.00 70.41 C ATOM 674 O THR A 42 -28.590 2.061 -20.247 1.00 43.54 O ATOM 675 CB THR A 42 -30.737 3.119 -18.280 1.00 53.02 C ATOM 676 OG1 THR A 42 -31.817 2.308 -18.756 1.00 11.34 O ATOM 677 CG2 THR A 42 -30.436 4.215 -19.292 1.00 73.32 C ATOM 0 H THR A 42 -28.537 4.054 -17.566 1.00 71.54 H new ATOM 0 HA THR A 42 -29.711 1.531 -17.241 1.00 13.15 H new ATOM 0 HB THR A 42 -31.021 3.584 -17.336 1.00 53.02 H new ATOM 0 HG1 THR A 42 -32.605 2.870 -18.909 1.00 11.34 H new ATOM 0 HG21 THR A 42 -31.330 4.819 -19.451 1.00 73.32 H new ATOM 0 HG22 THR A 42 -29.633 4.848 -18.915 1.00 73.32 H new ATOM 0 HG23 THR A 42 -30.130 3.764 -20.236 1.00 73.32 H new ATOM 685 N GLU A 43 -29.494 0.208 -19.346 1.00 24.50 N ATOM 686 CA GLU A 43 -29.222 -0.624 -20.513 1.00 55.22 C ATOM 687 C GLU A 43 -30.515 -0.973 -21.244 1.00 75.55 C ATOM 688 O GLU A 43 -31.613 -0.891 -20.691 1.00 70.32 O ATOM 689 CB GLU A 43 -28.497 -1.905 -20.096 1.00 54.24 C ATOM 690 CG GLU A 43 -26.984 -1.773 -20.090 1.00 3.22 C ATOM 691 CD GLU A 43 -26.283 -3.106 -19.912 1.00 14.42 C ATOM 692 OE1 GLU A 43 -26.952 -4.152 -20.043 1.00 55.14 O ATOM 693 OE2 GLU A 43 -25.064 -3.103 -19.640 1.00 71.14 O ATOM 0 H GLU A 43 -29.960 -0.278 -18.580 1.00 24.50 H new ATOM 0 HA GLU A 43 -28.583 -0.058 -21.191 1.00 55.22 H new ATOM 0 HB2 GLU A 43 -28.832 -2.194 -19.100 1.00 54.24 H new ATOM 0 HB3 GLU A 43 -28.780 -2.710 -20.774 1.00 54.24 H new ATOM 0 HG2 GLU A 43 -26.659 -1.318 -21.026 1.00 3.22 H new ATOM 0 HG3 GLU A 43 -26.685 -1.099 -19.287 1.00 3.22 H new ATOM 700 N PRO A 44 -30.385 -1.372 -22.518 1.00 1.50 N ATOM 701 CA PRO A 44 -31.531 -1.742 -23.354 1.00 12.12 C ATOM 702 C PRO A 44 -32.176 -3.049 -22.907 1.00 21.32 C ATOM 703 O PRO A 44 -31.489 -3.978 -22.479 1.00 23.22 O ATOM 704 CB PRO A 44 -30.919 -1.896 -24.748 1.00 13.03 C ATOM 705 CG PRO A 44 -29.488 -2.224 -24.499 1.00 40.11 C ATOM 706 CD PRO A 44 -29.108 -1.493 -23.241 1.00 24.23 C ATOM 0 HA PRO A 44 -32.328 -1.000 -23.304 1.00 12.12 H new ATOM 0 HB2 PRO A 44 -31.414 -2.686 -25.313 1.00 13.03 H new ATOM 0 HB3 PRO A 44 -31.020 -0.979 -25.328 1.00 13.03 H new ATOM 0 HG2 PRO A 44 -29.349 -3.299 -24.383 1.00 40.11 H new ATOM 0 HG3 PRO A 44 -28.864 -1.910 -25.336 1.00 40.11 H new ATOM 0 HD2 PRO A 44 -28.369 -2.047 -22.662 1.00 24.23 H new ATOM 0 HD3 PRO A 44 -28.675 -0.517 -23.459 1.00 24.23 H new ATOM 714 N LEU A 45 -33.499 -3.117 -23.010 1.00 12.11 N ATOM 715 CA LEU A 45 -34.237 -4.313 -22.617 1.00 20.01 C ATOM 716 C LEU A 45 -33.722 -5.539 -23.363 1.00 24.51 C ATOM 717 O LEU A 45 -33.262 -5.439 -24.500 1.00 60.33 O ATOM 718 CB LEU A 45 -35.730 -4.127 -22.889 1.00 41.33 C ATOM 719 CG LEU A 45 -36.488 -3.244 -21.895 1.00 72.41 C ATOM 720 CD1 LEU A 45 -36.362 -1.779 -22.280 1.00 12.45 C ATOM 721 CD2 LEU A 45 -37.952 -3.656 -21.826 1.00 11.33 C ATOM 0 H LEU A 45 -34.083 -2.358 -23.362 1.00 12.11 H new ATOM 0 HA LEU A 45 -34.085 -4.469 -21.549 1.00 20.01 H new ATOM 0 HB2 LEU A 45 -35.847 -3.701 -23.886 1.00 41.33 H new ATOM 0 HB3 LEU A 45 -36.201 -5.110 -22.905 1.00 41.33 H new ATOM 0 HG LEU A 45 -36.046 -3.378 -20.907 1.00 72.41 H new ATOM 0 HD11 LEU A 45 -36.907 -1.166 -21.562 1.00 12.45 H new ATOM 0 HD12 LEU A 45 -35.311 -1.491 -22.278 1.00 12.45 H new ATOM 0 HD13 LEU A 45 -36.778 -1.628 -23.276 1.00 12.45 H new ATOM 0 HD21 LEU A 45 -38.476 -3.018 -21.115 1.00 11.33 H new ATOM 0 HD22 LEU A 45 -38.406 -3.551 -22.811 1.00 11.33 H new ATOM 0 HD23 LEU A 45 -38.023 -4.695 -21.503 1.00 11.33 H new ATOM 733 N MET A 46 -33.805 -6.698 -22.716 1.00 14.23 N ATOM 734 CA MET A 46 -33.351 -7.945 -23.320 1.00 12.34 C ATOM 735 C MET A 46 -33.746 -9.140 -22.459 1.00 21.34 C ATOM 736 O MET A 46 -33.564 -9.129 -21.243 1.00 33.24 O ATOM 737 CB MET A 46 -31.833 -7.920 -23.512 1.00 73.44 C ATOM 738 CG MET A 46 -31.352 -8.792 -24.660 1.00 71.33 C ATOM 739 SD MET A 46 -29.605 -8.549 -25.033 1.00 4.02 S ATOM 740 CE MET A 46 -29.709 -7.668 -26.588 1.00 73.15 C ATOM 0 H MET A 46 -34.182 -6.799 -21.774 1.00 14.23 H new ATOM 0 HA MET A 46 -33.832 -8.045 -24.293 1.00 12.34 H new ATOM 0 HB2 MET A 46 -31.514 -6.893 -23.688 1.00 73.44 H new ATOM 0 HB3 MET A 46 -31.353 -8.249 -22.590 1.00 73.44 H new ATOM 0 HG2 MET A 46 -31.524 -9.839 -24.412 1.00 71.33 H new ATOM 0 HG3 MET A 46 -31.943 -8.573 -25.549 1.00 71.33 H new ATOM 0 HE1 MET A 46 -28.705 -7.446 -26.948 1.00 73.15 H new ATOM 0 HE2 MET A 46 -30.229 -8.284 -27.321 1.00 73.15 H new ATOM 0 HE3 MET A 46 -30.257 -6.737 -26.443 1.00 73.15 H new ATOM 750 N ASN A 47 -34.287 -10.172 -23.100 1.00 13.21 N ATOM 751 CA ASN A 47 -34.710 -11.375 -22.393 1.00 23.34 C ATOM 752 C ASN A 47 -35.655 -11.029 -21.246 1.00 64.41 C ATOM 753 O ASN A 47 -35.618 -11.656 -20.187 1.00 0.21 O ATOM 754 CB ASN A 47 -33.492 -12.129 -21.854 1.00 43.13 C ATOM 755 CG ASN A 47 -33.762 -13.609 -21.670 1.00 14.12 C ATOM 756 OD1 ASN A 47 -34.819 -14.111 -22.054 1.00 32.11 O ATOM 757 ND2 ASN A 47 -32.807 -14.317 -21.078 1.00 62.02 N ATOM 0 H ASN A 47 -34.442 -10.199 -24.108 1.00 13.21 H new ATOM 0 HA ASN A 47 -35.242 -12.013 -23.099 1.00 23.34 H new ATOM 0 HB2 ASN A 47 -32.655 -11.998 -22.539 1.00 43.13 H new ATOM 0 HB3 ASN A 47 -33.193 -11.696 -20.899 1.00 43.13 H new ATOM 0 HD21 ASN A 47 -32.934 -15.318 -20.926 1.00 62.02 H new ATOM 0 HD22 ASN A 47 -31.947 -13.860 -20.776 1.00 62.02 H new ATOM 764 N TRP A 48 -36.501 -10.029 -21.466 1.00 71.30 N ATOM 765 CA TRP A 48 -37.457 -9.601 -20.451 1.00 44.44 C ATOM 766 C TRP A 48 -38.654 -10.543 -20.399 1.00 51.12 C ATOM 767 O TRP A 48 -39.220 -10.787 -19.333 1.00 1.32 O ATOM 768 CB TRP A 48 -37.928 -8.173 -20.737 1.00 30.34 C ATOM 769 CG TRP A 48 -38.833 -7.623 -19.676 1.00 31.32 C ATOM 770 CD1 TRP A 48 -38.537 -7.454 -18.353 1.00 43.12 C ATOM 771 CD2 TRP A 48 -40.181 -7.174 -19.848 1.00 20.24 C ATOM 772 NE1 TRP A 48 -39.619 -6.926 -17.693 1.00 75.25 N ATOM 773 CE2 TRP A 48 -40.641 -6.744 -18.588 1.00 12.23 C ATOM 774 CE3 TRP A 48 -41.044 -7.091 -20.944 1.00 43.52 C ATOM 775 CZ2 TRP A 48 -41.925 -6.241 -18.397 1.00 70.14 C ATOM 776 CZ3 TRP A 48 -42.317 -6.592 -20.753 1.00 52.30 C ATOM 777 CH2 TRP A 48 -42.749 -6.170 -19.487 1.00 65.40 C ATOM 0 H TRP A 48 -36.545 -9.500 -22.337 1.00 71.30 H new ATOM 0 HA TRP A 48 -36.958 -9.625 -19.482 1.00 44.44 H new ATOM 0 HB2 TRP A 48 -37.058 -7.524 -20.835 1.00 30.34 H new ATOM 0 HB3 TRP A 48 -38.449 -8.155 -21.694 1.00 30.34 H new ATOM 0 HD1 TRP A 48 -37.591 -7.700 -17.894 1.00 43.12 H new ATOM 0 HE1 TRP A 48 -39.656 -6.705 -16.698 1.00 75.25 H new ATOM 0 HE3 TRP A 48 -40.721 -7.412 -21.923 1.00 43.52 H new ATOM 0 HZ2 TRP A 48 -42.259 -5.918 -17.422 1.00 70.14 H new ATOM 0 HZ3 TRP A 48 -42.992 -6.525 -21.593 1.00 52.30 H new ATOM 0 HH2 TRP A 48 -43.750 -5.782 -19.370 1.00 65.40 H new ATOM 788 N THR A 49 -39.037 -11.071 -21.558 1.00 54.41 N ATOM 789 CA THR A 49 -40.169 -11.986 -21.643 1.00 20.11 C ATOM 790 C THR A 49 -39.733 -13.425 -21.389 1.00 44.25 C ATOM 791 O THR A 49 -39.134 -14.064 -22.254 1.00 13.30 O ATOM 792 CB THR A 49 -40.854 -11.905 -23.020 1.00 40.35 C ATOM 793 OG1 THR A 49 -39.884 -12.069 -24.060 1.00 71.25 O ATOM 794 CG2 THR A 49 -41.568 -10.572 -23.191 1.00 72.14 C ATOM 0 H THR A 49 -38.580 -10.881 -22.450 1.00 54.41 H new ATOM 0 HA THR A 49 -40.879 -11.683 -20.874 1.00 20.11 H new ATOM 0 HB THR A 49 -41.591 -12.705 -23.082 1.00 40.35 H new ATOM 0 HG1 THR A 49 -39.247 -12.769 -23.806 1.00 71.25 H new ATOM 0 HG21 THR A 49 -42.044 -10.537 -24.171 1.00 72.14 H new ATOM 0 HG22 THR A 49 -42.326 -10.463 -22.415 1.00 72.14 H new ATOM 0 HG23 THR A 49 -40.846 -9.759 -23.110 1.00 72.14 H new ATOM 802 N GLY A 50 -40.039 -13.930 -20.198 1.00 51.02 N ATOM 803 CA GLY A 50 -39.671 -15.290 -19.852 1.00 44.24 C ATOM 804 C GLY A 50 -39.873 -15.589 -18.380 1.00 24.42 C ATOM 805 O GLY A 50 -40.575 -14.858 -17.682 1.00 21.44 O ATOM 0 H GLY A 50 -40.535 -13.421 -19.466 1.00 51.02 H new ATOM 0 HA2 GLY A 50 -40.264 -15.986 -20.446 1.00 44.24 H new ATOM 0 HA3 GLY A 50 -38.626 -15.458 -20.114 1.00 44.24 H new ATOM 809 N SER A 51 -39.255 -16.668 -17.907 1.00 42.44 N ATOM 810 CA SER A 51 -39.374 -17.064 -16.509 1.00 75.44 C ATOM 811 C SER A 51 -38.114 -16.699 -15.730 1.00 71.55 C ATOM 812 O SER A 51 -37.037 -17.240 -15.984 1.00 43.40 O ATOM 813 CB SER A 51 -39.634 -18.568 -16.404 1.00 61.45 C ATOM 814 OG SER A 51 -39.161 -19.084 -15.172 1.00 5.40 O ATOM 0 H SER A 51 -38.668 -17.282 -18.471 1.00 42.44 H new ATOM 0 HA SER A 51 -40.216 -16.525 -16.075 1.00 75.44 H new ATOM 0 HB2 SER A 51 -40.702 -18.763 -16.497 1.00 61.45 H new ATOM 0 HB3 SER A 51 -39.143 -19.083 -17.230 1.00 61.45 H new ATOM 0 HG SER A 51 -39.341 -20.046 -15.130 1.00 5.40 H new ATOM 820 N HIS A 52 -38.257 -15.778 -14.783 1.00 70.41 N ATOM 821 CA HIS A 52 -37.131 -15.341 -13.966 1.00 42.12 C ATOM 822 C HIS A 52 -37.440 -15.506 -12.482 1.00 1.11 C ATOM 823 O HIS A 52 -38.570 -15.288 -12.044 1.00 24.20 O ATOM 824 CB HIS A 52 -36.792 -13.881 -14.269 1.00 40.05 C ATOM 825 CG HIS A 52 -37.982 -12.972 -14.244 1.00 61.24 C ATOM 826 ND1 HIS A 52 -38.516 -12.399 -15.380 1.00 23.24 N ATOM 827 CD2 HIS A 52 -38.744 -12.539 -13.212 1.00 44.45 C ATOM 828 CE1 HIS A 52 -39.552 -11.652 -15.047 1.00 54.42 C ATOM 829 NE2 HIS A 52 -39.713 -11.720 -13.738 1.00 10.54 N ATOM 0 H HIS A 52 -39.141 -15.320 -14.562 1.00 70.41 H new ATOM 0 HA HIS A 52 -36.272 -15.965 -14.211 1.00 42.12 H new ATOM 0 HB2 HIS A 52 -36.060 -13.528 -13.542 1.00 40.05 H new ATOM 0 HB3 HIS A 52 -36.321 -13.822 -15.250 1.00 40.05 H new ATOM 0 HD2 HIS A 52 -38.614 -12.791 -12.170 1.00 44.45 H new ATOM 0 HE1 HIS A 52 -40.164 -11.082 -15.730 1.00 54.42 H new ATOM 0 HE2 HIS A 52 -40.439 -11.242 -13.204 1.00 10.54 H new ATOM 837 N ASP A 53 -36.428 -15.894 -11.712 1.00 53.10 N ATOM 838 CA ASP A 53 -36.591 -16.088 -10.276 1.00 14.25 C ATOM 839 C ASP A 53 -35.507 -15.346 -9.500 1.00 34.22 C ATOM 840 O ASP A 53 -34.503 -15.935 -9.098 1.00 51.22 O ATOM 841 CB ASP A 53 -36.552 -17.578 -9.934 1.00 22.21 C ATOM 842 CG ASP A 53 -37.060 -17.865 -8.535 1.00 4.25 C ATOM 843 OD1 ASP A 53 -37.589 -16.933 -7.892 1.00 64.44 O ATOM 844 OD2 ASP A 53 -36.929 -19.021 -8.082 1.00 32.44 O ATOM 0 H ASP A 53 -35.487 -16.080 -12.059 1.00 53.10 H new ATOM 0 HA ASP A 53 -37.560 -15.682 -9.987 1.00 14.25 H new ATOM 0 HB2 ASP A 53 -37.154 -18.129 -10.656 1.00 22.21 H new ATOM 0 HB3 ASP A 53 -35.529 -17.943 -10.028 1.00 22.21 H new ATOM 849 N THR A 54 -35.716 -14.050 -9.294 1.00 53.21 N ATOM 850 CA THR A 54 -34.756 -13.227 -8.569 1.00 72.14 C ATOM 851 C THR A 54 -35.323 -11.840 -8.287 1.00 70.11 C ATOM 852 O THR A 54 -35.844 -11.177 -9.185 1.00 33.05 O ATOM 853 CB THR A 54 -33.438 -13.081 -9.352 1.00 44.11 C ATOM 854 OG1 THR A 54 -32.596 -12.110 -8.718 1.00 71.31 O ATOM 855 CG2 THR A 54 -33.705 -12.665 -10.790 1.00 40.23 C ATOM 0 H THR A 54 -36.542 -13.547 -9.619 1.00 53.21 H new ATOM 0 HA THR A 54 -34.555 -13.733 -7.625 1.00 72.14 H new ATOM 0 HB THR A 54 -32.936 -14.049 -9.358 1.00 44.11 H new ATOM 0 HG1 THR A 54 -31.759 -12.024 -9.221 1.00 71.31 H new ATOM 0 HG21 THR A 54 -32.759 -12.568 -11.322 1.00 40.23 H new ATOM 0 HG22 THR A 54 -34.321 -13.420 -11.279 1.00 40.23 H new ATOM 0 HG23 THR A 54 -34.227 -11.708 -10.801 1.00 40.23 H new ATOM 863 N LYS A 55 -35.218 -11.406 -7.036 1.00 61.33 N ATOM 864 CA LYS A 55 -35.718 -10.097 -6.635 1.00 42.14 C ATOM 865 C LYS A 55 -34.566 -9.134 -6.364 1.00 61.02 C ATOM 866 O LYS A 55 -34.592 -8.382 -5.391 1.00 50.51 O ATOM 867 CB LYS A 55 -36.596 -10.224 -5.388 1.00 5.41 C ATOM 868 CG LYS A 55 -37.903 -10.954 -5.636 1.00 20.24 C ATOM 869 CD LYS A 55 -38.809 -10.175 -6.574 1.00 40.31 C ATOM 870 CE LYS A 55 -40.134 -10.888 -6.790 1.00 74.11 C ATOM 871 NZ LYS A 55 -40.996 -10.173 -7.773 1.00 14.54 N ATOM 0 H LYS A 55 -34.790 -11.943 -6.281 1.00 61.33 H new ATOM 0 HA LYS A 55 -36.317 -9.698 -7.454 1.00 42.14 H new ATOM 0 HB2 LYS A 55 -36.038 -10.749 -4.613 1.00 5.41 H new ATOM 0 HB3 LYS A 55 -36.814 -9.227 -5.004 1.00 5.41 H new ATOM 0 HG2 LYS A 55 -37.697 -11.936 -6.061 1.00 20.24 H new ATOM 0 HG3 LYS A 55 -38.415 -11.118 -4.688 1.00 20.24 H new ATOM 0 HD2 LYS A 55 -38.992 -9.182 -6.163 1.00 40.31 H new ATOM 0 HD3 LYS A 55 -38.309 -10.036 -7.533 1.00 40.31 H new ATOM 0 HE2 LYS A 55 -39.947 -11.903 -7.142 1.00 74.11 H new ATOM 0 HE3 LYS A 55 -40.660 -10.972 -5.839 1.00 74.11 H new ATOM 0 HZ1 LYS A 55 -41.890 -10.691 -7.892 1.00 14.54 H new ATOM 0 HZ2 LYS A 55 -41.196 -9.213 -7.426 1.00 14.54 H new ATOM 0 HZ3 LYS A 55 -40.505 -10.115 -8.688 1.00 14.54 H new ATOM 885 N GLN A 56 -33.559 -9.164 -7.231 1.00 70.13 N ATOM 886 CA GLN A 56 -32.399 -8.293 -7.084 1.00 73.24 C ATOM 887 C GLN A 56 -31.668 -8.130 -8.412 1.00 72.33 C ATOM 888 O GLN A 56 -31.983 -8.808 -9.391 1.00 23.53 O ATOM 889 CB GLN A 56 -31.444 -8.854 -6.028 1.00 51.13 C ATOM 890 CG GLN A 56 -31.155 -10.336 -6.196 1.00 25.41 C ATOM 891 CD GLN A 56 -32.155 -11.212 -5.468 1.00 13.33 C ATOM 892 OE1 GLN A 56 -32.960 -10.726 -4.673 1.00 31.41 O ATOM 893 NE2 GLN A 56 -32.110 -12.513 -5.736 1.00 52.45 N ATOM 0 H GLN A 56 -33.523 -9.782 -8.042 1.00 70.13 H new ATOM 0 HA GLN A 56 -32.751 -7.313 -6.762 1.00 73.24 H new ATOM 0 HB2 GLN A 56 -30.505 -8.302 -6.070 1.00 51.13 H new ATOM 0 HB3 GLN A 56 -31.870 -8.685 -5.039 1.00 51.13 H new ATOM 0 HG2 GLN A 56 -31.164 -10.586 -7.257 1.00 25.41 H new ATOM 0 HG3 GLN A 56 -30.152 -10.551 -5.826 1.00 25.41 H new ATOM 0 HE21 GLN A 56 -31.426 -12.873 -6.402 1.00 52.45 H new ATOM 0 HE22 GLN A 56 -32.759 -13.151 -5.276 1.00 52.45 H new ATOM 902 N GLN A 57 -30.693 -7.227 -8.440 1.00 71.12 N ATOM 903 CA GLN A 57 -29.920 -6.976 -9.650 1.00 24.13 C ATOM 904 C GLN A 57 -28.424 -6.996 -9.353 1.00 23.23 C ATOM 905 O GLN A 57 -27.637 -6.336 -10.030 1.00 63.25 O ATOM 906 CB GLN A 57 -30.312 -5.630 -10.260 1.00 41.24 C ATOM 907 CG GLN A 57 -30.076 -4.449 -9.334 1.00 10.53 C ATOM 908 CD GLN A 57 -29.877 -3.147 -10.085 1.00 53.32 C ATOM 909 OE1 GLN A 57 -29.006 -3.042 -10.948 1.00 24.24 O ATOM 910 NE2 GLN A 57 -30.688 -2.146 -9.761 1.00 10.21 N ATOM 0 H GLN A 57 -30.420 -6.658 -7.639 1.00 71.12 H new ATOM 0 HA GLN A 57 -30.141 -7.769 -10.364 1.00 24.13 H new ATOM 0 HB2 GLN A 57 -29.746 -5.479 -11.179 1.00 41.24 H new ATOM 0 HB3 GLN A 57 -31.366 -5.659 -10.536 1.00 41.24 H new ATOM 0 HG2 GLN A 57 -30.925 -4.348 -8.658 1.00 10.53 H new ATOM 0 HG3 GLN A 57 -29.199 -4.646 -8.717 1.00 10.53 H new ATOM 0 HE21 GLN A 57 -31.397 -2.277 -9.039 1.00 10.21 H new ATOM 0 HE22 GLN A 57 -30.602 -1.246 -10.234 1.00 10.21 H new ATOM 919 N VAL A 58 -28.038 -7.758 -8.334 1.00 63.13 N ATOM 920 CA VAL A 58 -26.636 -7.865 -7.948 1.00 2.21 C ATOM 921 C VAL A 58 -26.067 -9.231 -8.315 1.00 1.20 C ATOM 922 O VAL A 58 -25.026 -9.326 -8.967 1.00 55.12 O ATOM 923 CB VAL A 58 -26.451 -7.635 -6.436 1.00 50.34 C ATOM 924 CG1 VAL A 58 -24.982 -7.733 -6.056 1.00 40.14 C ATOM 925 CG2 VAL A 58 -27.027 -6.287 -6.029 1.00 1.43 C ATOM 0 H VAL A 58 -28.677 -8.310 -7.761 1.00 63.13 H new ATOM 0 HA VAL A 58 -26.098 -7.091 -8.495 1.00 2.21 H new ATOM 0 HB VAL A 58 -26.992 -8.414 -5.899 1.00 50.34 H new ATOM 0 HG11 VAL A 58 -24.872 -7.568 -4.984 1.00 40.14 H new ATOM 0 HG12 VAL A 58 -24.606 -8.724 -6.311 1.00 40.14 H new ATOM 0 HG13 VAL A 58 -24.414 -6.978 -6.600 1.00 40.14 H new ATOM 0 HG21 VAL A 58 -26.888 -6.140 -4.958 1.00 1.43 H new ATOM 0 HG22 VAL A 58 -26.515 -5.493 -6.573 1.00 1.43 H new ATOM 0 HG23 VAL A 58 -28.091 -6.260 -6.264 1.00 1.43 H new ATOM 935 N CYS A 59 -26.756 -10.285 -7.894 1.00 24.33 N ATOM 936 CA CYS A 59 -26.319 -11.648 -8.178 1.00 52.25 C ATOM 937 C CYS A 59 -26.821 -12.105 -9.544 1.00 54.25 C ATOM 938 O CYS A 59 -27.938 -11.776 -9.949 1.00 24.21 O ATOM 939 CB CYS A 59 -26.817 -12.602 -7.092 1.00 64.20 C ATOM 940 SG CYS A 59 -26.009 -12.382 -5.490 1.00 42.22 S ATOM 0 H CYS A 59 -27.620 -10.223 -7.355 1.00 24.33 H new ATOM 0 HA CYS A 59 -25.229 -11.660 -8.189 1.00 52.25 H new ATOM 0 HB2 CYS A 59 -27.891 -12.465 -6.967 1.00 64.20 H new ATOM 0 HB3 CYS A 59 -26.664 -13.628 -7.426 1.00 64.20 H new ATOM 0 HG CYS A 59 -26.499 -13.232 -4.637 1.00 42.22 H new ATOM 946 N LEU A 60 -25.991 -12.864 -10.250 1.00 63.35 N ATOM 947 CA LEU A 60 -26.349 -13.366 -11.572 1.00 55.03 C ATOM 948 C LEU A 60 -26.151 -14.876 -11.653 1.00 74.14 C ATOM 949 O LEU A 60 -25.236 -15.426 -11.041 1.00 63.31 O ATOM 950 CB LEU A 60 -25.511 -12.672 -12.648 1.00 34.12 C ATOM 951 CG LEU A 60 -26.237 -11.621 -13.488 1.00 71.35 C ATOM 952 CD1 LEU A 60 -25.281 -10.983 -14.485 1.00 51.45 C ATOM 953 CD2 LEU A 60 -27.426 -12.241 -14.209 1.00 12.43 C ATOM 0 H LEU A 60 -25.065 -13.146 -9.929 1.00 63.35 H new ATOM 0 HA LEU A 60 -27.403 -13.146 -11.743 1.00 55.03 H new ATOM 0 HB2 LEU A 60 -24.657 -12.196 -12.165 1.00 34.12 H new ATOM 0 HB3 LEU A 60 -25.114 -13.434 -13.319 1.00 34.12 H new ATOM 0 HG LEU A 60 -26.608 -10.843 -12.821 1.00 71.35 H new ATOM 0 HD11 LEU A 60 -25.814 -10.237 -15.075 1.00 51.45 H new ATOM 0 HD12 LEU A 60 -24.462 -10.504 -13.948 1.00 51.45 H new ATOM 0 HD13 LEU A 60 -24.880 -11.750 -15.147 1.00 51.45 H new ATOM 0 HD21 LEU A 60 -27.930 -11.478 -14.802 1.00 12.43 H new ATOM 0 HD22 LEU A 60 -27.078 -13.039 -14.865 1.00 12.43 H new ATOM 0 HD23 LEU A 60 -28.122 -12.651 -13.477 1.00 12.43 H new ATOM 965 N SER A 61 -27.016 -15.541 -12.413 1.00 21.42 N ATOM 966 CA SER A 61 -26.937 -16.989 -12.574 1.00 52.31 C ATOM 967 C SER A 61 -26.892 -17.370 -14.050 1.00 10.01 C ATOM 968 O SER A 61 -27.741 -16.953 -14.837 1.00 74.25 O ATOM 969 CB SER A 61 -28.131 -17.663 -11.897 1.00 34.42 C ATOM 970 OG SER A 61 -29.260 -16.806 -11.881 1.00 21.22 O ATOM 0 H SER A 61 -27.779 -15.101 -12.927 1.00 21.42 H new ATOM 0 HA SER A 61 -26.018 -17.334 -12.101 1.00 52.31 H new ATOM 0 HB2 SER A 61 -28.378 -18.585 -12.423 1.00 34.42 H new ATOM 0 HB3 SER A 61 -27.866 -17.939 -10.876 1.00 34.42 H new ATOM 0 HG SER A 61 -30.010 -17.261 -11.444 1.00 21.22 H new ATOM 976 N PHE A 62 -25.894 -18.167 -14.419 1.00 3.31 N ATOM 977 CA PHE A 62 -25.736 -18.604 -15.801 1.00 32.52 C ATOM 978 C PHE A 62 -26.016 -20.099 -15.933 1.00 51.23 C ATOM 979 O PHE A 62 -25.946 -20.845 -14.955 1.00 43.24 O ATOM 980 CB PHE A 62 -24.323 -18.293 -16.298 1.00 32.31 C ATOM 981 CG PHE A 62 -24.099 -16.838 -16.596 1.00 72.51 C ATOM 982 CD1 PHE A 62 -24.365 -16.327 -17.857 1.00 2.04 C ATOM 983 CD2 PHE A 62 -23.624 -15.982 -15.616 1.00 71.14 C ATOM 984 CE1 PHE A 62 -24.160 -14.989 -18.135 1.00 14.43 C ATOM 985 CE2 PHE A 62 -23.419 -14.642 -15.888 1.00 21.11 C ATOM 986 CZ PHE A 62 -23.686 -14.145 -17.148 1.00 63.41 C ATOM 0 H PHE A 62 -25.183 -18.523 -13.780 1.00 3.31 H new ATOM 0 HA PHE A 62 -26.456 -18.061 -16.413 1.00 32.52 H new ATOM 0 HB2 PHE A 62 -23.603 -18.617 -15.547 1.00 32.31 H new ATOM 0 HB3 PHE A 62 -24.127 -18.875 -17.199 1.00 32.31 H new ATOM 0 HD1 PHE A 62 -24.737 -16.982 -18.631 1.00 2.04 H new ATOM 0 HD2 PHE A 62 -23.412 -16.365 -14.629 1.00 71.14 H new ATOM 0 HE1 PHE A 62 -24.370 -14.603 -19.122 1.00 14.43 H new ATOM 0 HE2 PHE A 62 -23.050 -13.984 -15.115 1.00 21.11 H new ATOM 0 HZ PHE A 62 -23.525 -13.099 -17.362 1.00 63.41 H new ATOM 996 N THR A 63 -26.336 -20.530 -17.150 1.00 2.32 N ATOM 997 CA THR A 63 -26.628 -21.933 -17.410 1.00 61.45 C ATOM 998 C THR A 63 -25.349 -22.727 -17.645 1.00 22.31 C ATOM 999 O THR A 63 -25.155 -23.798 -17.069 1.00 34.22 O ATOM 1000 CB THR A 63 -27.552 -22.096 -18.633 1.00 2.12 C ATOM 1001 OG1 THR A 63 -28.435 -20.974 -18.733 1.00 51.31 O ATOM 1002 CG2 THR A 63 -28.363 -23.379 -18.531 1.00 41.21 C ATOM 0 H THR A 63 -26.399 -19.927 -17.970 1.00 2.32 H new ATOM 0 HA THR A 63 -27.134 -22.320 -16.526 1.00 61.45 H new ATOM 0 HB THR A 63 -26.930 -22.148 -19.526 1.00 2.12 H new ATOM 0 HG1 THR A 63 -29.017 -21.085 -19.513 1.00 51.31 H new ATOM 0 HG21 THR A 63 -29.008 -23.472 -19.405 1.00 41.21 H new ATOM 0 HG22 THR A 63 -27.688 -24.234 -18.485 1.00 41.21 H new ATOM 0 HG23 THR A 63 -28.975 -23.352 -17.630 1.00 41.21 H new ATOM 1010 N THR A 64 -24.476 -22.197 -18.496 1.00 4.52 N ATOM 1011 CA THR A 64 -23.214 -22.856 -18.807 1.00 22.11 C ATOM 1012 C THR A 64 -22.028 -21.952 -18.492 1.00 71.10 C ATOM 1013 O THR A 64 -22.176 -20.735 -18.381 1.00 54.21 O ATOM 1014 CB THR A 64 -23.148 -23.272 -20.290 1.00 13.13 C ATOM 1015 OG1 THR A 64 -23.912 -22.362 -21.088 1.00 50.21 O ATOM 1016 CG2 THR A 64 -23.677 -24.686 -20.478 1.00 63.42 C ATOM 0 H THR A 64 -24.620 -21.312 -18.982 1.00 4.52 H new ATOM 0 HA THR A 64 -23.162 -23.748 -18.183 1.00 22.11 H new ATOM 0 HB THR A 64 -22.105 -23.245 -20.607 1.00 13.13 H new ATOM 0 HG1 THR A 64 -23.864 -22.632 -22.029 1.00 50.21 H new ATOM 0 HG21 THR A 64 -23.621 -24.958 -21.532 1.00 63.42 H new ATOM 0 HG22 THR A 64 -23.076 -25.380 -19.891 1.00 63.42 H new ATOM 0 HG23 THR A 64 -24.714 -24.734 -20.146 1.00 63.42 H new ATOM 1024 N ARG A 65 -20.852 -22.554 -18.350 1.00 2.43 N ATOM 1025 CA ARG A 65 -19.641 -21.802 -18.046 1.00 63.53 C ATOM 1026 C ARG A 65 -19.422 -20.688 -19.067 1.00 12.03 C ATOM 1027 O ARG A 65 -19.306 -19.518 -18.706 1.00 2.34 O ATOM 1028 CB ARG A 65 -18.428 -22.734 -18.026 1.00 32.53 C ATOM 1029 CG ARG A 65 -17.103 -22.008 -17.856 1.00 14.24 C ATOM 1030 CD ARG A 65 -15.923 -22.950 -18.034 1.00 74.42 C ATOM 1031 NE ARG A 65 -14.932 -22.792 -16.974 1.00 10.05 N ATOM 1032 CZ ARG A 65 -13.731 -23.361 -17.000 1.00 51.22 C ATOM 1033 NH1 ARG A 65 -13.376 -24.120 -18.027 1.00 1.14 N ATOM 1034 NH2 ARG A 65 -12.883 -23.170 -15.997 1.00 52.52 N ATOM 0 H ARG A 65 -20.712 -23.560 -18.441 1.00 2.43 H new ATOM 0 HA ARG A 65 -19.761 -21.351 -17.061 1.00 63.53 H new ATOM 0 HB2 ARG A 65 -18.546 -23.452 -17.214 1.00 32.53 H new ATOM 0 HB3 ARG A 65 -18.403 -23.304 -18.955 1.00 32.53 H new ATOM 0 HG2 ARG A 65 -17.035 -21.198 -18.582 1.00 14.24 H new ATOM 0 HG3 ARG A 65 -17.061 -21.553 -16.866 1.00 14.24 H new ATOM 0 HD2 ARG A 65 -16.280 -23.980 -18.046 1.00 74.42 H new ATOM 0 HD3 ARG A 65 -15.453 -22.764 -19.000 1.00 74.42 H new ATOM 0 HE ARG A 65 -15.174 -22.214 -16.170 1.00 10.05 H new ATOM 0 HH11 ARG A 65 -14.025 -24.269 -18.800 1.00 1.14 H new ATOM 0 HH12 ARG A 65 -12.454 -24.555 -18.045 1.00 1.14 H new ATOM 0 HH21 ARG A 65 -13.153 -22.586 -15.205 1.00 52.52 H new ATOM 0 HH22 ARG A 65 -11.962 -23.607 -16.018 1.00 52.52 H new ATOM 1048 N GLU A 66 -19.368 -21.063 -20.342 1.00 5.55 N ATOM 1049 CA GLU A 66 -19.161 -20.095 -21.413 1.00 71.20 C ATOM 1050 C GLU A 66 -20.160 -18.946 -21.308 1.00 22.24 C ATOM 1051 O GLU A 66 -19.829 -17.794 -21.589 1.00 54.31 O ATOM 1052 CB GLU A 66 -19.293 -20.776 -22.777 1.00 73.22 C ATOM 1053 CG GLU A 66 -18.510 -20.085 -23.880 1.00 14.04 C ATOM 1054 CD GLU A 66 -18.363 -20.946 -25.119 1.00 60.53 C ATOM 1055 OE1 GLU A 66 -18.377 -22.188 -24.983 1.00 30.04 O ATOM 1056 OE2 GLU A 66 -18.234 -20.380 -26.224 1.00 53.12 O ATOM 0 H GLU A 66 -19.465 -22.028 -20.658 1.00 5.55 H new ATOM 0 HA GLU A 66 -18.154 -19.689 -21.312 1.00 71.20 H new ATOM 0 HB2 GLU A 66 -18.952 -21.808 -22.693 1.00 73.22 H new ATOM 0 HB3 GLU A 66 -20.346 -20.810 -23.057 1.00 73.22 H new ATOM 0 HG2 GLU A 66 -19.010 -19.154 -24.147 1.00 14.04 H new ATOM 0 HG3 GLU A 66 -17.521 -19.820 -23.507 1.00 14.04 H new ATOM 1063 N LEU A 67 -21.383 -19.269 -20.901 1.00 15.31 N ATOM 1064 CA LEU A 67 -22.431 -18.265 -20.758 1.00 41.33 C ATOM 1065 C LEU A 67 -21.999 -17.157 -19.803 1.00 1.35 C ATOM 1066 O LEU A 67 -22.222 -15.975 -20.063 1.00 12.12 O ATOM 1067 CB LEU A 67 -23.721 -18.913 -20.254 1.00 30.41 C ATOM 1068 CG LEU A 67 -25.008 -18.488 -20.963 1.00 20.40 C ATOM 1069 CD1 LEU A 67 -24.925 -18.798 -22.450 1.00 51.01 C ATOM 1070 CD2 LEU A 67 -26.213 -19.178 -20.340 1.00 13.41 C ATOM 0 H LEU A 67 -21.673 -20.218 -20.664 1.00 15.31 H new ATOM 0 HA LEU A 67 -22.612 -17.824 -21.738 1.00 41.33 H new ATOM 0 HB2 LEU A 67 -23.620 -19.995 -20.345 1.00 30.41 H new ATOM 0 HB3 LEU A 67 -23.825 -18.691 -19.192 1.00 30.41 H new ATOM 0 HG LEU A 67 -25.128 -17.411 -20.843 1.00 20.40 H new ATOM 0 HD11 LEU A 67 -25.849 -18.489 -22.938 1.00 51.01 H new ATOM 0 HD12 LEU A 67 -24.085 -18.258 -22.888 1.00 51.01 H new ATOM 0 HD13 LEU A 67 -24.781 -19.869 -22.591 1.00 51.01 H new ATOM 0 HD21 LEU A 67 -27.120 -18.864 -20.857 1.00 13.41 H new ATOM 0 HD22 LEU A 67 -26.100 -20.258 -20.430 1.00 13.41 H new ATOM 0 HD23 LEU A 67 -26.283 -18.907 -19.287 1.00 13.41 H new ATOM 1082 N ALA A 68 -21.376 -17.548 -18.695 1.00 64.14 N ATOM 1083 CA ALA A 68 -20.907 -16.589 -17.703 1.00 50.51 C ATOM 1084 C ALA A 68 -19.813 -15.695 -18.276 1.00 64.34 C ATOM 1085 O ALA A 68 -19.990 -14.484 -18.403 1.00 13.11 O ATOM 1086 CB ALA A 68 -20.404 -17.314 -16.463 1.00 64.43 C ATOM 0 H ALA A 68 -21.185 -18.523 -18.463 1.00 64.14 H new ATOM 0 HA ALA A 68 -21.748 -15.954 -17.423 1.00 50.51 H new ATOM 0 HB1 ALA A 68 -20.057 -16.585 -15.731 1.00 64.43 H new ATOM 0 HB2 ALA A 68 -21.214 -17.903 -16.033 1.00 64.43 H new ATOM 0 HB3 ALA A 68 -19.581 -17.974 -16.736 1.00 64.43 H new ATOM 1092 N ILE A 69 -18.681 -16.301 -18.620 1.00 52.33 N ATOM 1093 CA ILE A 69 -17.558 -15.560 -19.180 1.00 62.13 C ATOM 1094 C ILE A 69 -17.998 -14.712 -20.369 1.00 42.45 C ATOM 1095 O ILE A 69 -17.496 -13.608 -20.577 1.00 2.53 O ATOM 1096 CB ILE A 69 -16.428 -16.504 -19.629 1.00 21.23 C ATOM 1097 CG1 ILE A 69 -15.903 -17.309 -18.439 1.00 11.15 C ATOM 1098 CG2 ILE A 69 -15.301 -15.712 -20.277 1.00 41.14 C ATOM 1099 CD1 ILE A 69 -16.497 -18.697 -18.338 1.00 42.34 C ATOM 0 H ILE A 69 -18.518 -17.303 -18.521 1.00 52.33 H new ATOM 0 HA ILE A 69 -17.184 -14.909 -18.390 1.00 62.13 H new ATOM 0 HB ILE A 69 -16.828 -17.200 -20.367 1.00 21.23 H new ATOM 0 HG12 ILE A 69 -14.819 -17.391 -18.517 1.00 11.15 H new ATOM 0 HG13 ILE A 69 -16.116 -16.764 -17.520 1.00 11.15 H new ATOM 0 HG21 ILE A 69 -14.510 -16.394 -20.589 1.00 41.14 H new ATOM 0 HG22 ILE A 69 -15.684 -15.179 -21.147 1.00 41.14 H new ATOM 0 HG23 ILE A 69 -14.901 -14.996 -19.560 1.00 41.14 H new ATOM 0 HD11 ILE A 69 -16.079 -19.209 -17.472 1.00 42.34 H new ATOM 0 HD12 ILE A 69 -17.579 -18.623 -18.229 1.00 42.34 H new ATOM 0 HD13 ILE A 69 -16.261 -19.260 -19.241 1.00 42.34 H new ATOM 1111 N ALA A 70 -18.941 -15.235 -21.146 1.00 52.52 N ATOM 1112 CA ALA A 70 -19.451 -14.524 -22.312 1.00 54.00 C ATOM 1113 C ALA A 70 -19.960 -13.137 -21.930 1.00 73.30 C ATOM 1114 O ALA A 70 -19.967 -12.220 -22.751 1.00 31.24 O ATOM 1115 CB ALA A 70 -20.557 -15.329 -22.978 1.00 31.10 C ATOM 0 H ALA A 70 -19.367 -16.148 -20.989 1.00 52.52 H new ATOM 0 HA ALA A 70 -18.631 -14.399 -23.019 1.00 54.00 H new ATOM 0 HB1 ALA A 70 -20.929 -14.787 -23.847 1.00 31.10 H new ATOM 0 HB2 ALA A 70 -20.164 -16.295 -23.294 1.00 31.10 H new ATOM 0 HB3 ALA A 70 -21.372 -15.483 -22.270 1.00 31.10 H new ATOM 1121 N TYR A 71 -20.388 -12.993 -20.680 1.00 72.51 N ATOM 1122 CA TYR A 71 -20.902 -11.720 -20.192 1.00 13.44 C ATOM 1123 C TYR A 71 -19.761 -10.766 -19.852 1.00 0.23 C ATOM 1124 O TYR A 71 -19.719 -9.634 -20.334 1.00 25.33 O ATOM 1125 CB TYR A 71 -21.781 -11.940 -18.959 1.00 1.51 C ATOM 1126 CG TYR A 71 -22.281 -10.657 -18.334 1.00 10.11 C ATOM 1127 CD1 TYR A 71 -23.096 -9.786 -19.046 1.00 1.44 C ATOM 1128 CD2 TYR A 71 -21.939 -10.316 -17.031 1.00 23.33 C ATOM 1129 CE1 TYR A 71 -23.553 -8.612 -18.478 1.00 61.12 C ATOM 1130 CE2 TYR A 71 -22.393 -9.146 -16.456 1.00 2.44 C ATOM 1131 CZ TYR A 71 -23.200 -8.297 -17.184 1.00 4.35 C ATOM 1132 OH TYR A 71 -23.655 -7.129 -16.615 1.00 24.32 O ATOM 0 H TYR A 71 -20.389 -13.742 -19.988 1.00 72.51 H new ATOM 0 HA TYR A 71 -21.503 -11.272 -20.984 1.00 13.44 H new ATOM 0 HB2 TYR A 71 -22.636 -12.555 -19.238 1.00 1.51 H new ATOM 0 HB3 TYR A 71 -21.215 -12.500 -18.215 1.00 1.51 H new ATOM 0 HD1 TYR A 71 -23.377 -10.030 -20.060 1.00 1.44 H new ATOM 0 HD2 TYR A 71 -21.307 -10.978 -16.458 1.00 23.33 H new ATOM 0 HE1 TYR A 71 -24.184 -7.944 -19.046 1.00 61.12 H new ATOM 0 HE2 TYR A 71 -22.118 -8.897 -15.442 1.00 2.44 H new ATOM 0 HH TYR A 71 -23.316 -7.058 -15.698 1.00 24.32 H new ATOM 1142 N ALA A 72 -18.837 -11.232 -19.018 1.00 1.25 N ATOM 1143 CA ALA A 72 -17.694 -10.422 -18.614 1.00 61.30 C ATOM 1144 C ALA A 72 -16.881 -9.978 -19.826 1.00 12.22 C ATOM 1145 O ALA A 72 -16.645 -8.787 -20.024 1.00 44.52 O ATOM 1146 CB ALA A 72 -16.815 -11.197 -17.643 1.00 63.41 C ATOM 0 H ALA A 72 -18.858 -12.166 -18.609 1.00 1.25 H new ATOM 0 HA ALA A 72 -18.071 -9.530 -18.114 1.00 61.30 H new ATOM 0 HB1 ALA A 72 -15.965 -10.580 -17.350 1.00 63.41 H new ATOM 0 HB2 ALA A 72 -17.395 -11.461 -16.758 1.00 63.41 H new ATOM 0 HB3 ALA A 72 -16.454 -12.106 -18.125 1.00 63.41 H new ATOM 1152 N VAL A 73 -16.456 -10.943 -20.634 1.00 62.20 N ATOM 1153 CA VAL A 73 -15.670 -10.651 -21.827 1.00 73.43 C ATOM 1154 C VAL A 73 -16.354 -9.598 -22.691 1.00 74.33 C ATOM 1155 O VAL A 73 -15.693 -8.792 -23.346 1.00 75.31 O ATOM 1156 CB VAL A 73 -15.438 -11.919 -22.671 1.00 4.33 C ATOM 1157 CG1 VAL A 73 -14.649 -11.586 -23.928 1.00 74.41 C ATOM 1158 CG2 VAL A 73 -14.723 -12.981 -21.849 1.00 64.11 C ATOM 0 H VAL A 73 -16.643 -11.935 -20.484 1.00 62.20 H new ATOM 0 HA VAL A 73 -14.708 -10.269 -21.486 1.00 73.43 H new ATOM 0 HB VAL A 73 -16.407 -12.317 -22.973 1.00 4.33 H new ATOM 0 HG11 VAL A 73 -14.495 -12.493 -24.512 1.00 74.41 H new ATOM 0 HG12 VAL A 73 -15.203 -10.861 -24.524 1.00 74.41 H new ATOM 0 HG13 VAL A 73 -13.683 -11.165 -23.650 1.00 74.41 H new ATOM 0 HG21 VAL A 73 -14.567 -13.870 -22.460 1.00 64.11 H new ATOM 0 HG22 VAL A 73 -13.759 -12.596 -21.516 1.00 64.11 H new ATOM 0 HG23 VAL A 73 -15.330 -13.239 -20.981 1.00 64.11 H new ATOM 1168 N ALA A 74 -17.683 -9.609 -22.688 1.00 61.44 N ATOM 1169 CA ALA A 74 -18.458 -8.654 -23.469 1.00 45.14 C ATOM 1170 C ALA A 74 -18.007 -7.224 -23.191 1.00 53.10 C ATOM 1171 O ALA A 74 -18.095 -6.354 -24.058 1.00 32.22 O ATOM 1172 CB ALA A 74 -19.942 -8.809 -23.174 1.00 3.43 C ATOM 0 H ALA A 74 -18.246 -10.270 -22.152 1.00 61.44 H new ATOM 0 HA ALA A 74 -18.287 -8.863 -24.525 1.00 45.14 H new ATOM 0 HB1 ALA A 74 -20.508 -8.089 -23.765 1.00 3.43 H new ATOM 0 HB2 ALA A 74 -20.261 -9.819 -23.431 1.00 3.43 H new ATOM 0 HB3 ALA A 74 -20.123 -8.630 -22.114 1.00 3.43 H new ATOM 1178 N HIS A 75 -17.526 -6.986 -21.975 1.00 24.42 N ATOM 1179 CA HIS A 75 -17.061 -5.661 -21.582 1.00 20.34 C ATOM 1180 C HIS A 75 -15.643 -5.726 -21.023 1.00 64.22 C ATOM 1181 O HIS A 75 -15.233 -4.869 -20.240 1.00 44.10 O ATOM 1182 CB HIS A 75 -18.004 -5.056 -20.541 1.00 45.52 C ATOM 1183 CG HIS A 75 -18.097 -3.562 -20.615 1.00 64.13 C ATOM 1184 ND1 HIS A 75 -18.975 -2.824 -19.850 1.00 70.10 N ATOM 1185 CD2 HIS A 75 -17.414 -2.669 -21.369 1.00 1.50 C ATOM 1186 CE1 HIS A 75 -18.830 -1.541 -20.130 1.00 62.52 C ATOM 1187 NE2 HIS A 75 -17.888 -1.420 -21.049 1.00 33.24 N ATOM 0 H HIS A 75 -17.448 -7.694 -21.245 1.00 24.42 H new ATOM 0 HA HIS A 75 -17.054 -5.027 -22.469 1.00 20.34 H new ATOM 0 HB2 HIS A 75 -18.999 -5.481 -20.673 1.00 45.52 H new ATOM 0 HB3 HIS A 75 -17.665 -5.342 -19.545 1.00 45.52 H new ATOM 0 HD2 HIS A 75 -16.641 -2.896 -22.088 1.00 1.50 H new ATOM 0 HE1 HIS A 75 -19.386 -0.730 -19.684 1.00 62.52 H new ATOM 0 HE2 HIS A 75 -17.565 -0.542 -21.455 1.00 33.24 H new ATOM 1195 N LYS A 76 -14.898 -6.748 -21.432 1.00 3.45 N ATOM 1196 CA LYS A 76 -13.525 -6.925 -20.974 1.00 12.34 C ATOM 1197 C LYS A 76 -13.449 -6.876 -19.450 1.00 44.50 C ATOM 1198 O LYS A 76 -12.594 -6.193 -18.885 1.00 31.34 O ATOM 1199 CB LYS A 76 -12.622 -5.846 -21.575 1.00 24.34 C ATOM 1200 CG LYS A 76 -12.634 -5.819 -23.093 1.00 50.13 C ATOM 1201 CD LYS A 76 -11.841 -6.976 -23.679 1.00 3.44 C ATOM 1202 CE LYS A 76 -12.337 -7.345 -25.068 1.00 23.22 C ATOM 1203 NZ LYS A 76 -11.270 -7.988 -25.885 1.00 1.32 N ATOM 0 H LYS A 76 -15.222 -7.466 -22.080 1.00 3.45 H new ATOM 0 HA LYS A 76 -13.181 -7.904 -21.306 1.00 12.34 H new ATOM 0 HB2 LYS A 76 -12.935 -4.872 -21.200 1.00 24.34 H new ATOM 0 HB3 LYS A 76 -11.600 -6.006 -21.231 1.00 24.34 H new ATOM 0 HG2 LYS A 76 -13.663 -5.864 -23.450 1.00 50.13 H new ATOM 0 HG3 LYS A 76 -12.216 -4.876 -23.444 1.00 50.13 H new ATOM 0 HD2 LYS A 76 -10.786 -6.707 -23.728 1.00 3.44 H new ATOM 0 HD3 LYS A 76 -11.919 -7.842 -23.022 1.00 3.44 H new ATOM 0 HE2 LYS A 76 -13.187 -8.022 -24.982 1.00 23.22 H new ATOM 0 HE3 LYS A 76 -12.694 -6.449 -25.576 1.00 23.22 H new ATOM 0 HZ1 LYS A 76 -11.647 -8.225 -26.825 1.00 1.32 H new ATOM 0 HZ2 LYS A 76 -10.469 -7.332 -25.988 1.00 1.32 H new ATOM 0 HZ3 LYS A 76 -10.947 -8.857 -25.413 1.00 1.32 H new ATOM 1217 N ILE A 77 -14.345 -7.604 -18.794 1.00 40.31 N ATOM 1218 CA ILE A 77 -14.377 -7.644 -17.337 1.00 51.35 C ATOM 1219 C ILE A 77 -13.563 -8.817 -16.802 1.00 31.01 C ATOM 1220 O ILE A 77 -13.584 -9.910 -17.369 1.00 33.24 O ATOM 1221 CB ILE A 77 -15.820 -7.751 -16.808 1.00 20.40 C ATOM 1222 CG1 ILE A 77 -16.700 -6.672 -17.441 1.00 43.22 C ATOM 1223 CG2 ILE A 77 -15.837 -7.635 -15.291 1.00 72.12 C ATOM 1224 CD1 ILE A 77 -18.159 -6.781 -17.058 1.00 42.15 C ATOM 0 H ILE A 77 -15.059 -8.174 -19.248 1.00 40.31 H new ATOM 0 HA ILE A 77 -13.939 -6.710 -16.986 1.00 51.35 H new ATOM 0 HB ILE A 77 -16.221 -8.726 -17.083 1.00 20.40 H new ATOM 0 HG12 ILE A 77 -16.327 -5.691 -17.145 1.00 43.22 H new ATOM 0 HG13 ILE A 77 -16.612 -6.733 -18.526 1.00 43.22 H new ATOM 0 HG21 ILE A 77 -16.863 -7.712 -14.932 1.00 72.12 H new ATOM 0 HG22 ILE A 77 -15.239 -8.437 -14.858 1.00 72.12 H new ATOM 0 HG23 ILE A 77 -15.421 -6.672 -14.995 1.00 72.12 H new ATOM 0 HD11 ILE A 77 -18.723 -5.984 -17.543 1.00 42.15 H new ATOM 0 HD12 ILE A 77 -18.548 -7.748 -17.378 1.00 42.15 H new ATOM 0 HD13 ILE A 77 -18.259 -6.690 -15.976 1.00 42.15 H new ATOM 1236 N ASP A 78 -12.847 -8.583 -15.707 1.00 75.04 N ATOM 1237 CA ASP A 78 -12.028 -9.621 -15.093 1.00 21.15 C ATOM 1238 C ASP A 78 -12.901 -10.680 -14.426 1.00 44.15 C ATOM 1239 O ASP A 78 -13.413 -10.474 -13.326 1.00 4.23 O ATOM 1240 CB ASP A 78 -11.076 -9.007 -14.066 1.00 2.22 C ATOM 1241 CG ASP A 78 -9.726 -8.661 -14.662 1.00 62.22 C ATOM 1242 OD1 ASP A 78 -9.662 -7.720 -15.481 1.00 51.22 O ATOM 1243 OD2 ASP A 78 -8.732 -9.330 -14.310 1.00 32.43 O ATOM 0 H ASP A 78 -12.818 -7.684 -15.227 1.00 75.04 H new ATOM 0 HA ASP A 78 -11.444 -10.100 -15.879 1.00 21.15 H new ATOM 0 HB2 ASP A 78 -11.527 -8.107 -13.649 1.00 2.22 H new ATOM 0 HB3 ASP A 78 -10.937 -9.705 -13.241 1.00 2.22 H new ATOM 1248 N TYR A 79 -13.069 -11.811 -15.102 1.00 1.11 N ATOM 1249 CA TYR A 79 -13.883 -12.901 -14.577 1.00 72.23 C ATOM 1250 C TYR A 79 -13.008 -13.982 -13.949 1.00 61.12 C ATOM 1251 O TYR A 79 -12.043 -14.447 -14.557 1.00 1.42 O ATOM 1252 CB TYR A 79 -14.741 -13.506 -15.689 1.00 4.24 C ATOM 1253 CG TYR A 79 -13.934 -14.061 -16.842 1.00 55.32 C ATOM 1254 CD1 TYR A 79 -13.580 -13.257 -17.918 1.00 34.32 C ATOM 1255 CD2 TYR A 79 -13.529 -15.390 -16.854 1.00 42.23 C ATOM 1256 CE1 TYR A 79 -12.845 -13.760 -18.973 1.00 64.43 C ATOM 1257 CE2 TYR A 79 -12.791 -15.901 -17.905 1.00 70.13 C ATOM 1258 CZ TYR A 79 -12.452 -15.082 -18.962 1.00 63.35 C ATOM 1259 OH TYR A 79 -11.719 -15.588 -20.011 1.00 33.42 O ATOM 0 H TYR A 79 -12.653 -11.997 -16.014 1.00 1.11 H new ATOM 0 HA TYR A 79 -14.535 -12.493 -13.805 1.00 72.23 H new ATOM 0 HB2 TYR A 79 -15.356 -14.303 -15.270 1.00 4.24 H new ATOM 0 HB3 TYR A 79 -15.422 -12.743 -16.067 1.00 4.24 H new ATOM 0 HD1 TYR A 79 -13.885 -12.221 -17.930 1.00 34.32 H new ATOM 0 HD2 TYR A 79 -13.795 -16.034 -16.029 1.00 42.23 H new ATOM 0 HE1 TYR A 79 -12.579 -13.122 -19.803 1.00 64.43 H new ATOM 0 HE2 TYR A 79 -12.481 -16.936 -17.899 1.00 70.13 H new ATOM 0 HH TYR A 79 -11.523 -16.534 -19.847 1.00 33.42 H new ATOM 1269 N THR A 80 -13.353 -14.378 -12.728 1.00 44.04 N ATOM 1270 CA THR A 80 -12.600 -15.404 -12.016 1.00 44.52 C ATOM 1271 C THR A 80 -13.436 -16.663 -11.821 1.00 3.41 C ATOM 1272 O THR A 80 -14.535 -16.610 -11.268 1.00 20.44 O ATOM 1273 CB THR A 80 -12.124 -14.898 -10.642 1.00 30.24 C ATOM 1274 OG1 THR A 80 -11.521 -15.970 -9.907 1.00 50.12 O ATOM 1275 CG2 THR A 80 -13.285 -14.321 -9.846 1.00 4.22 C ATOM 0 H THR A 80 -14.149 -14.004 -12.211 1.00 44.04 H new ATOM 0 HA THR A 80 -11.730 -15.641 -12.628 1.00 44.52 H new ATOM 0 HB THR A 80 -11.388 -14.110 -10.804 1.00 30.24 H new ATOM 0 HG1 THR A 80 -11.220 -15.640 -9.035 1.00 50.12 H new ATOM 0 HG21 THR A 80 -12.924 -13.970 -8.879 1.00 4.22 H new ATOM 0 HG22 THR A 80 -13.723 -13.487 -10.394 1.00 4.22 H new ATOM 0 HG23 THR A 80 -14.040 -15.092 -9.693 1.00 4.22 H new ATOM 1283 N VAL A 81 -12.909 -17.795 -12.276 1.00 51.45 N ATOM 1284 CA VAL A 81 -13.606 -19.068 -12.150 1.00 32.15 C ATOM 1285 C VAL A 81 -13.233 -19.773 -10.851 1.00 2.42 C ATOM 1286 O VAL A 81 -12.060 -20.050 -10.596 1.00 45.15 O ATOM 1287 CB VAL A 81 -13.292 -20.001 -13.335 1.00 51.51 C ATOM 1288 CG1 VAL A 81 -13.895 -19.454 -14.620 1.00 2.43 C ATOM 1289 CG2 VAL A 81 -11.790 -20.190 -13.479 1.00 24.53 C ATOM 0 H VAL A 81 -12.000 -17.856 -12.736 1.00 51.45 H new ATOM 0 HA VAL A 81 -14.673 -18.844 -12.146 1.00 32.15 H new ATOM 0 HB VAL A 81 -13.741 -20.975 -13.138 1.00 51.51 H new ATOM 0 HG11 VAL A 81 -13.663 -20.126 -15.446 1.00 2.43 H new ATOM 0 HG12 VAL A 81 -14.977 -19.375 -14.510 1.00 2.43 H new ATOM 0 HG13 VAL A 81 -13.478 -18.468 -14.827 1.00 2.43 H new ATOM 0 HG21 VAL A 81 -11.586 -20.852 -14.321 1.00 24.53 H new ATOM 0 HG22 VAL A 81 -11.317 -19.224 -13.654 1.00 24.53 H new ATOM 0 HG23 VAL A 81 -11.389 -20.630 -12.566 1.00 24.53 H new ATOM 1299 N LEU A 82 -14.236 -20.061 -10.030 1.00 13.52 N ATOM 1300 CA LEU A 82 -14.014 -20.733 -8.755 1.00 30.42 C ATOM 1301 C LEU A 82 -14.545 -22.163 -8.794 1.00 14.23 C ATOM 1302 O LEU A 82 -15.751 -22.384 -8.905 1.00 15.33 O ATOM 1303 CB LEU A 82 -14.687 -19.958 -7.621 1.00 53.24 C ATOM 1304 CG LEU A 82 -14.628 -20.605 -6.238 1.00 1.23 C ATOM 1305 CD1 LEU A 82 -13.186 -20.746 -5.776 1.00 32.22 C ATOM 1306 CD2 LEU A 82 -15.434 -19.793 -5.234 1.00 42.35 C ATOM 0 H LEU A 82 -15.212 -19.839 -10.225 1.00 13.52 H new ATOM 0 HA LEU A 82 -12.940 -20.768 -8.574 1.00 30.42 H new ATOM 0 HB2 LEU A 82 -14.226 -18.972 -7.559 1.00 53.24 H new ATOM 0 HB3 LEU A 82 -15.734 -19.805 -7.884 1.00 53.24 H new ATOM 0 HG LEU A 82 -15.066 -21.601 -6.305 1.00 1.23 H new ATOM 0 HD11 LEU A 82 -13.164 -21.209 -4.789 1.00 32.22 H new ATOM 0 HD12 LEU A 82 -12.637 -21.370 -6.482 1.00 32.22 H new ATOM 0 HD13 LEU A 82 -12.722 -19.761 -5.725 1.00 32.22 H new ATOM 0 HD21 LEU A 82 -15.381 -20.269 -4.255 1.00 42.35 H new ATOM 0 HD22 LEU A 82 -15.026 -18.784 -5.170 1.00 42.35 H new ATOM 0 HD23 LEU A 82 -16.474 -19.744 -5.557 1.00 42.35 H new ATOM 1318 N GLN A 83 -13.637 -23.129 -8.700 1.00 13.23 N ATOM 1319 CA GLN A 83 -14.015 -24.538 -8.723 1.00 54.42 C ATOM 1320 C GLN A 83 -13.848 -25.169 -7.345 1.00 50.41 C ATOM 1321 O GLN A 83 -13.132 -24.642 -6.494 1.00 13.43 O ATOM 1322 CB GLN A 83 -13.175 -25.296 -9.751 1.00 22.51 C ATOM 1323 CG GLN A 83 -13.810 -25.357 -11.131 1.00 41.31 C ATOM 1324 CD GLN A 83 -12.994 -26.176 -12.112 1.00 33.31 C ATOM 1325 OE1 GLN A 83 -13.038 -27.406 -12.098 1.00 24.34 O ATOM 1326 NE2 GLN A 83 -12.246 -25.496 -12.973 1.00 15.25 N ATOM 0 H GLN A 83 -12.635 -22.962 -8.607 1.00 13.23 H new ATOM 0 HA GLN A 83 -15.066 -24.602 -9.006 1.00 54.42 H new ATOM 0 HB2 GLN A 83 -12.198 -24.820 -9.831 1.00 22.51 H new ATOM 0 HB3 GLN A 83 -13.007 -26.312 -9.393 1.00 22.51 H new ATOM 0 HG2 GLN A 83 -14.809 -25.785 -11.049 1.00 41.31 H new ATOM 0 HG3 GLN A 83 -13.928 -24.345 -11.518 1.00 41.31 H new ATOM 0 HE21 GLN A 83 -12.240 -24.476 -12.949 1.00 15.25 H new ATOM 0 HE22 GLN A 83 -11.678 -25.993 -13.659 1.00 15.25 H new ATOM 1335 N ASP A 84 -14.512 -26.299 -7.133 1.00 15.11 N ATOM 1336 CA ASP A 84 -14.436 -27.003 -5.858 1.00 73.31 C ATOM 1337 C ASP A 84 -14.070 -28.469 -6.068 1.00 4.24 C ATOM 1338 O ASP A 84 -14.871 -29.254 -6.573 1.00 51.54 O ATOM 1339 CB ASP A 84 -15.768 -26.900 -5.114 1.00 54.52 C ATOM 1340 CG ASP A 84 -15.602 -27.008 -3.611 1.00 20.42 C ATOM 1341 OD1 ASP A 84 -14.559 -27.532 -3.165 1.00 44.54 O ATOM 1342 OD2 ASP A 84 -16.513 -26.568 -2.880 1.00 61.33 O ATOM 0 H ASP A 84 -15.109 -26.748 -7.827 1.00 15.11 H new ATOM 0 HA ASP A 84 -13.656 -26.534 -5.258 1.00 73.31 H new ATOM 0 HB2 ASP A 84 -16.244 -25.950 -5.357 1.00 54.52 H new ATOM 0 HB3 ASP A 84 -16.436 -27.689 -5.460 1.00 54.52 H new ATOM 1347 N ASN A 85 -12.851 -28.830 -5.678 1.00 31.21 N ATOM 1348 CA ASN A 85 -12.378 -30.202 -5.825 1.00 24.13 C ATOM 1349 C ASN A 85 -12.467 -30.656 -7.278 1.00 42.14 C ATOM 1350 O ASN A 85 -13.313 -31.470 -7.650 1.00 50.51 O ATOM 1351 CB ASN A 85 -13.191 -31.143 -4.934 1.00 11.44 C ATOM 1352 CG ASN A 85 -12.734 -32.584 -5.047 1.00 22.13 C ATOM 1353 OD1 ASN A 85 -11.753 -32.885 -5.727 1.00 21.43 O ATOM 1354 ND2 ASN A 85 -13.446 -33.485 -4.379 1.00 70.20 N ATOM 0 H ASN A 85 -12.174 -28.193 -5.259 1.00 31.21 H new ATOM 0 HA ASN A 85 -11.333 -30.234 -5.517 1.00 24.13 H new ATOM 0 HB2 ASN A 85 -13.108 -30.819 -3.897 1.00 11.44 H new ATOM 0 HB3 ASN A 85 -14.245 -31.076 -5.206 1.00 11.44 H new ATOM 0 HD21 ASN A 85 -13.187 -34.471 -4.418 1.00 70.20 H new ATOM 0 HD22 ASN A 85 -14.252 -33.191 -3.827 1.00 70.20 H new ATOM 1361 N PRO A 86 -11.574 -30.118 -8.123 1.00 24.44 N ATOM 1362 CA PRO A 86 -11.530 -30.454 -9.549 1.00 34.44 C ATOM 1363 C PRO A 86 -11.051 -31.880 -9.794 1.00 21.40 C ATOM 1364 O PRO A 86 -10.337 -32.456 -8.973 1.00 1.51 O ATOM 1365 CB PRO A 86 -10.528 -29.448 -10.120 1.00 54.45 C ATOM 1366 CG PRO A 86 -9.657 -29.086 -8.968 1.00 4.45 C ATOM 1367 CD PRO A 86 -10.536 -29.143 -7.749 1.00 10.40 C ATOM 0 HA PRO A 86 -12.516 -30.402 -10.010 1.00 34.44 H new ATOM 0 HB2 PRO A 86 -9.948 -29.885 -10.933 1.00 54.45 H new ATOM 0 HB3 PRO A 86 -11.034 -28.571 -10.525 1.00 54.45 H new ATOM 0 HG2 PRO A 86 -8.821 -29.779 -8.878 1.00 4.45 H new ATOM 0 HG3 PRO A 86 -9.233 -28.090 -9.097 1.00 4.45 H new ATOM 0 HD2 PRO A 86 -9.981 -29.465 -6.868 1.00 10.40 H new ATOM 0 HD3 PRO A 86 -10.965 -28.168 -7.517 1.00 10.40 H new ATOM 1375 N ARG A 87 -11.449 -32.446 -10.929 1.00 2.00 N ATOM 1376 CA ARG A 87 -11.059 -33.806 -11.282 1.00 54.11 C ATOM 1377 C ARG A 87 -9.567 -33.883 -11.590 1.00 53.41 C ATOM 1378 O ARG A 87 -8.875 -32.865 -11.623 1.00 51.34 O ATOM 1379 CB ARG A 87 -11.865 -34.293 -12.487 1.00 62.45 C ATOM 1380 CG ARG A 87 -13.184 -34.950 -12.115 1.00 2.51 C ATOM 1381 CD ARG A 87 -14.230 -34.757 -13.201 1.00 41.02 C ATOM 1382 NE ARG A 87 -15.245 -35.807 -13.177 1.00 43.20 N ATOM 1383 CZ ARG A 87 -16.343 -35.785 -13.924 1.00 34.23 C ATOM 1384 NH1 ARG A 87 -16.567 -34.773 -14.750 1.00 32.02 N ATOM 1385 NH2 ARG A 87 -17.220 -36.777 -13.845 1.00 74.32 N ATOM 0 H ARG A 87 -12.041 -31.984 -11.619 1.00 2.00 H new ATOM 0 HA ARG A 87 -11.269 -34.450 -10.428 1.00 54.11 H new ATOM 0 HB2 ARG A 87 -12.064 -33.448 -13.146 1.00 62.45 H new ATOM 0 HB3 ARG A 87 -11.262 -35.003 -13.053 1.00 62.45 H new ATOM 0 HG2 ARG A 87 -13.026 -36.015 -11.946 1.00 2.51 H new ATOM 0 HG3 ARG A 87 -13.549 -34.530 -11.178 1.00 2.51 H new ATOM 0 HD2 ARG A 87 -14.710 -33.786 -13.074 1.00 41.02 H new ATOM 0 HD3 ARG A 87 -13.743 -34.746 -14.176 1.00 41.02 H new ATOM 0 HE ARG A 87 -15.103 -36.601 -12.552 1.00 43.20 H new ATOM 0 HH11 ARG A 87 -15.895 -34.008 -14.813 1.00 32.02 H new ATOM 0 HH12 ARG A 87 -17.411 -34.759 -15.322 1.00 32.02 H new ATOM 0 HH21 ARG A 87 -17.051 -37.557 -13.210 1.00 74.32 H new ATOM 0 HH22 ARG A 87 -18.063 -36.759 -14.419 1.00 74.32 H new ATOM 1399 N THR A 88 -9.076 -35.098 -11.814 1.00 5.44 N ATOM 1400 CA THR A 88 -7.665 -35.308 -12.117 1.00 41.31 C ATOM 1401 C THR A 88 -7.490 -36.018 -13.454 1.00 52.10 C ATOM 1402 O THR A 88 -6.499 -36.715 -13.672 1.00 61.32 O ATOM 1403 CB THR A 88 -6.971 -36.131 -11.016 1.00 62.43 C ATOM 1404 OG1 THR A 88 -7.719 -37.322 -10.749 1.00 64.43 O ATOM 1405 CG2 THR A 88 -6.831 -35.317 -9.738 1.00 74.45 C ATOM 0 H THR A 88 -9.634 -35.951 -11.791 1.00 5.44 H new ATOM 0 HA THR A 88 -7.202 -34.322 -12.169 1.00 41.31 H new ATOM 0 HB THR A 88 -5.975 -36.399 -11.368 1.00 62.43 H new ATOM 0 HG1 THR A 88 -7.270 -37.840 -10.049 1.00 64.43 H new ATOM 0 HG21 THR A 88 -6.338 -35.919 -8.975 1.00 74.45 H new ATOM 0 HG22 THR A 88 -6.236 -34.426 -9.938 1.00 74.45 H new ATOM 0 HG23 THR A 88 -7.819 -35.022 -9.385 1.00 74.45 H new ATOM 1413 N ILE A 89 -8.458 -35.837 -14.346 1.00 33.11 N ATOM 1414 CA ILE A 89 -8.409 -36.460 -15.663 1.00 21.51 C ATOM 1415 C ILE A 89 -7.133 -36.078 -16.405 1.00 41.45 C ATOM 1416 O ILE A 89 -6.501 -35.066 -16.096 1.00 74.44 O ATOM 1417 CB ILE A 89 -9.625 -36.063 -16.519 1.00 74.42 C ATOM 1418 CG1 ILE A 89 -9.649 -34.548 -16.740 1.00 73.40 C ATOM 1419 CG2 ILE A 89 -10.914 -36.527 -15.858 1.00 31.21 C ATOM 1420 CD1 ILE A 89 -8.928 -34.109 -17.994 1.00 61.44 C ATOM 0 H ILE A 89 -9.286 -35.264 -14.181 1.00 33.11 H new ATOM 0 HA ILE A 89 -8.424 -37.538 -15.502 1.00 21.51 H new ATOM 0 HB ILE A 89 -9.541 -36.552 -17.490 1.00 74.42 H new ATOM 0 HG12 ILE A 89 -10.685 -34.213 -16.790 1.00 73.40 H new ATOM 0 HG13 ILE A 89 -9.196 -34.056 -15.879 1.00 73.40 H new ATOM 0 HG21 ILE A 89 -11.764 -36.238 -16.476 1.00 31.21 H new ATOM 0 HG22 ILE A 89 -10.897 -37.611 -15.748 1.00 31.21 H new ATOM 0 HG23 ILE A 89 -11.006 -36.064 -14.875 1.00 31.21 H new ATOM 0 HD11 ILE A 89 -8.986 -33.024 -18.086 1.00 61.44 H new ATOM 0 HD12 ILE A 89 -7.883 -34.413 -17.938 1.00 61.44 H new ATOM 0 HD13 ILE A 89 -9.395 -34.572 -18.863 1.00 61.44 H new ATOM 1432 N VAL A 90 -6.758 -36.893 -17.386 1.00 43.32 N ATOM 1433 CA VAL A 90 -5.559 -36.639 -18.175 1.00 3.23 C ATOM 1434 C VAL A 90 -5.757 -37.056 -19.627 1.00 22.41 C ATOM 1435 O VAL A 90 -6.592 -37.902 -19.948 1.00 34.11 O ATOM 1436 CB VAL A 90 -4.340 -37.385 -17.600 1.00 11.33 C ATOM 1437 CG1 VAL A 90 -3.800 -36.660 -16.376 1.00 25.44 C ATOM 1438 CG2 VAL A 90 -4.708 -38.822 -17.260 1.00 3.12 C ATOM 0 H VAL A 90 -7.268 -37.735 -17.653 1.00 43.32 H new ATOM 0 HA VAL A 90 -5.373 -35.566 -18.131 1.00 3.23 H new ATOM 0 HB VAL A 90 -3.556 -37.404 -18.357 1.00 11.33 H new ATOM 0 HG11 VAL A 90 -2.939 -37.201 -15.983 1.00 25.44 H new ATOM 0 HG12 VAL A 90 -3.498 -35.651 -16.655 1.00 25.44 H new ATOM 0 HG13 VAL A 90 -4.576 -36.608 -15.612 1.00 25.44 H new ATOM 0 HG21 VAL A 90 -3.836 -39.335 -16.855 1.00 3.12 H new ATOM 0 HG22 VAL A 90 -5.508 -38.827 -16.520 1.00 3.12 H new ATOM 0 HG23 VAL A 90 -5.044 -39.334 -18.161 1.00 3.12 H new ATOM 1448 N PRO A 91 -4.971 -36.451 -20.530 1.00 73.34 N ATOM 1449 CA PRO A 91 -5.041 -36.746 -21.964 1.00 44.44 C ATOM 1450 C PRO A 91 -4.517 -38.138 -22.297 1.00 70.31 C ATOM 1451 O PRO A 91 -3.596 -38.637 -21.648 1.00 72.54 O ATOM 1452 CB PRO A 91 -4.146 -35.673 -22.591 1.00 34.32 C ATOM 1453 CG PRO A 91 -3.192 -35.297 -21.509 1.00 65.34 C ATOM 1454 CD PRO A 91 -3.954 -35.433 -20.220 1.00 24.44 C ATOM 0 HA PRO A 91 -6.067 -36.734 -22.332 1.00 44.44 H new ATOM 0 HB2 PRO A 91 -3.621 -36.057 -23.466 1.00 34.32 H new ATOM 0 HB3 PRO A 91 -4.730 -34.814 -22.921 1.00 34.32 H new ATOM 0 HG2 PRO A 91 -2.318 -35.948 -21.516 1.00 65.34 H new ATOM 0 HG3 PRO A 91 -2.831 -34.277 -21.644 1.00 65.34 H new ATOM 0 HD2 PRO A 91 -3.306 -35.748 -19.402 1.00 24.44 H new ATOM 0 HD3 PRO A 91 -4.409 -34.489 -19.921 1.00 24.44 H new ATOM 1462 N LYS A 92 -5.107 -38.761 -23.311 1.00 44.13 N ATOM 1463 CA LYS A 92 -4.698 -40.096 -23.732 1.00 71.33 C ATOM 1464 C LYS A 92 -4.647 -40.195 -25.254 1.00 1.22 C ATOM 1465 O LYS A 92 -5.640 -39.944 -25.935 1.00 61.33 O ATOM 1466 CB LYS A 92 -5.662 -41.146 -23.175 1.00 41.40 C ATOM 1467 CG LYS A 92 -7.120 -40.863 -23.494 1.00 20.40 C ATOM 1468 CD LYS A 92 -8.042 -41.869 -22.825 1.00 14.14 C ATOM 1469 CE LYS A 92 -9.442 -41.304 -22.640 1.00 52.04 C ATOM 1470 NZ LYS A 92 -10.303 -42.208 -21.828 1.00 62.53 N ATOM 0 H LYS A 92 -5.871 -38.363 -23.857 1.00 44.13 H new ATOM 0 HA LYS A 92 -3.699 -40.283 -23.339 1.00 71.33 H new ATOM 0 HB2 LYS A 92 -5.394 -42.123 -23.577 1.00 41.40 H new ATOM 0 HB3 LYS A 92 -5.540 -41.202 -22.093 1.00 41.40 H new ATOM 0 HG2 LYS A 92 -7.377 -39.857 -23.164 1.00 20.40 H new ATOM 0 HG3 LYS A 92 -7.270 -40.892 -24.573 1.00 20.40 H new ATOM 0 HD2 LYS A 92 -8.091 -42.776 -23.427 1.00 14.14 H new ATOM 0 HD3 LYS A 92 -7.632 -42.152 -21.856 1.00 14.14 H new ATOM 0 HE2 LYS A 92 -9.379 -40.330 -22.155 1.00 52.04 H new ATOM 0 HE3 LYS A 92 -9.901 -41.145 -23.616 1.00 52.04 H new ATOM 0 HZ1 LYS A 92 -11.248 -41.787 -21.725 1.00 62.53 H new ATOM 0 HZ2 LYS A 92 -10.384 -43.129 -22.303 1.00 62.53 H new ATOM 0 HZ3 LYS A 92 -9.878 -42.340 -20.888 1.00 62.53 H new ATOM 1484 N SER A 93 -3.482 -40.563 -25.778 1.00 75.44 N ATOM 1485 CA SER A 93 -3.301 -40.693 -27.220 1.00 20.03 C ATOM 1486 C SER A 93 -2.028 -41.471 -27.538 1.00 61.13 C ATOM 1487 O SER A 93 -1.058 -41.433 -26.782 1.00 61.43 O ATOM 1488 CB SER A 93 -3.246 -39.312 -27.874 1.00 44.54 C ATOM 1489 OG SER A 93 -3.614 -39.380 -29.241 1.00 12.51 O ATOM 0 H SER A 93 -2.651 -40.776 -25.227 1.00 75.44 H new ATOM 0 HA SER A 93 -4.152 -41.243 -27.621 1.00 20.03 H new ATOM 0 HB2 SER A 93 -3.914 -38.630 -27.348 1.00 44.54 H new ATOM 0 HB3 SER A 93 -2.239 -38.904 -27.785 1.00 44.54 H new ATOM 0 HG SER A 93 -3.572 -38.484 -29.636 1.00 12.51 H new ATOM 1495 N TYR A 94 -2.040 -42.176 -28.665 1.00 32.54 N ATOM 1496 CA TYR A 94 -0.889 -42.966 -29.084 1.00 33.21 C ATOM 1497 C TYR A 94 -0.907 -43.199 -30.592 1.00 51.50 C ATOM 1498 O TYR A 94 -1.824 -43.824 -31.124 1.00 41.51 O ATOM 1499 CB TYR A 94 -0.870 -44.309 -28.350 1.00 41.22 C ATOM 1500 CG TYR A 94 0.514 -44.898 -28.200 1.00 61.23 C ATOM 1501 CD1 TYR A 94 1.380 -44.443 -27.213 1.00 41.51 C ATOM 1502 CD2 TYR A 94 0.956 -45.908 -29.045 1.00 45.40 C ATOM 1503 CE1 TYR A 94 2.647 -44.977 -27.073 1.00 10.12 C ATOM 1504 CE2 TYR A 94 2.221 -46.450 -28.910 1.00 53.51 C ATOM 1505 CZ TYR A 94 3.062 -45.980 -27.923 1.00 34.42 C ATOM 1506 OH TYR A 94 4.322 -46.516 -27.787 1.00 11.42 O ATOM 0 H TYR A 94 -2.834 -42.216 -29.304 1.00 32.54 H new ATOM 0 HA TYR A 94 0.013 -42.408 -28.831 1.00 33.21 H new ATOM 0 HB2 TYR A 94 -1.309 -44.179 -27.361 1.00 41.22 H new ATOM 0 HB3 TYR A 94 -1.500 -45.017 -28.888 1.00 41.22 H new ATOM 0 HD1 TYR A 94 1.057 -43.659 -26.544 1.00 41.51 H new ATOM 0 HD2 TYR A 94 0.301 -46.276 -29.820 1.00 45.40 H new ATOM 0 HE1 TYR A 94 3.308 -44.611 -26.302 1.00 10.12 H new ATOM 0 HE2 TYR A 94 2.549 -47.237 -29.574 1.00 53.51 H new ATOM 0 HH TYR A 94 4.456 -47.213 -28.463 1.00 11.42 H new ATOM 1516 N ALA A 95 0.113 -42.689 -31.274 1.00 50.13 N ATOM 1517 CA ALA A 95 0.217 -42.842 -32.720 1.00 51.50 C ATOM 1518 C ALA A 95 1.094 -44.034 -33.084 1.00 71.21 C ATOM 1519 O ALA A 95 1.597 -44.738 -32.208 1.00 73.01 O ATOM 1520 CB ALA A 95 0.766 -41.569 -33.348 1.00 0.22 C ATOM 0 H ALA A 95 0.879 -42.166 -30.849 1.00 50.13 H new ATOM 0 HA ALA A 95 -0.783 -43.026 -33.114 1.00 51.50 H new ATOM 0 HB1 ALA A 95 0.838 -41.698 -34.428 1.00 0.22 H new ATOM 0 HB2 ALA A 95 0.098 -40.736 -33.126 1.00 0.22 H new ATOM 0 HB3 ALA A 95 1.755 -41.360 -32.941 1.00 0.22 H new ATOM 1526 N ASP A 96 1.273 -44.257 -34.382 1.00 42.22 N ATOM 1527 CA ASP A 96 2.091 -45.365 -34.862 1.00 33.22 C ATOM 1528 C ASP A 96 2.880 -44.960 -36.104 1.00 33.43 C ATOM 1529 O ASP A 96 2.328 -44.386 -37.042 1.00 31.14 O ATOM 1530 CB ASP A 96 1.211 -46.577 -35.174 1.00 22.11 C ATOM 1531 CG ASP A 96 1.921 -47.600 -36.041 1.00 15.54 C ATOM 1532 OD1 ASP A 96 3.022 -48.043 -35.653 1.00 35.14 O ATOM 1533 OD2 ASP A 96 1.375 -47.955 -37.107 1.00 4.23 O ATOM 0 H ASP A 96 0.863 -43.685 -35.120 1.00 42.22 H new ATOM 0 HA ASP A 96 2.798 -45.631 -34.076 1.00 33.22 H new ATOM 0 HB2 ASP A 96 0.902 -47.048 -34.241 1.00 22.11 H new ATOM 0 HB3 ASP A 96 0.304 -46.244 -35.679 1.00 22.11 H new ATOM 1538 N ASN A 97 4.174 -45.264 -36.101 1.00 55.21 N ATOM 1539 CA ASN A 97 5.039 -44.930 -37.227 1.00 11.35 C ATOM 1540 C ASN A 97 6.139 -45.974 -37.395 1.00 0.42 C ATOM 1541 O ASN A 97 6.535 -46.634 -36.435 1.00 0.13 O ATOM 1542 CB ASN A 97 5.660 -43.545 -37.026 1.00 62.52 C ATOM 1543 CG ASN A 97 6.619 -43.175 -38.141 1.00 72.45 C ATOM 1544 OD1 ASN A 97 7.784 -43.570 -38.129 1.00 63.13 O ATOM 1545 ND2 ASN A 97 6.129 -42.413 -39.113 1.00 2.02 N ATOM 0 H ASN A 97 4.646 -45.740 -35.333 1.00 55.21 H new ATOM 0 HA ASN A 97 4.431 -44.920 -38.131 1.00 11.35 H new ATOM 0 HB2 ASN A 97 4.867 -42.799 -36.970 1.00 62.52 H new ATOM 0 HB3 ASN A 97 6.188 -43.521 -36.073 1.00 62.52 H new ATOM 0 HD21 ASN A 97 6.726 -42.132 -39.891 1.00 2.02 H new ATOM 0 HD22 ASN A 97 5.156 -42.109 -39.081 1.00 2.02 H new ATOM 1552 N PHE A 98 6.629 -46.116 -38.622 1.00 23.22 N ATOM 1553 CA PHE A 98 7.684 -47.079 -38.917 1.00 75.14 C ATOM 1554 C PHE A 98 8.522 -46.620 -40.106 1.00 0.02 C ATOM 1555 O PHE A 98 7.989 -46.255 -41.154 1.00 72.52 O ATOM 1556 CB PHE A 98 7.080 -48.455 -39.206 1.00 34.41 C ATOM 1557 CG PHE A 98 6.201 -48.481 -40.423 1.00 61.43 C ATOM 1558 CD1 PHE A 98 4.886 -48.048 -40.355 1.00 22.53 C ATOM 1559 CD2 PHE A 98 6.689 -48.938 -41.637 1.00 32.01 C ATOM 1560 CE1 PHE A 98 4.075 -48.071 -41.473 1.00 43.21 C ATOM 1561 CE2 PHE A 98 5.883 -48.963 -42.759 1.00 14.25 C ATOM 1562 CZ PHE A 98 4.573 -48.529 -42.677 1.00 4.14 C ATOM 0 H PHE A 98 6.313 -45.577 -39.428 1.00 23.22 H new ATOM 0 HA PHE A 98 8.332 -47.150 -38.044 1.00 75.14 H new ATOM 0 HB2 PHE A 98 7.886 -49.177 -39.335 1.00 34.41 H new ATOM 0 HB3 PHE A 98 6.499 -48.777 -38.341 1.00 34.41 H new ATOM 0 HD1 PHE A 98 4.491 -47.688 -39.417 1.00 22.53 H new ATOM 0 HD2 PHE A 98 7.711 -49.279 -41.707 1.00 32.01 H new ATOM 0 HE1 PHE A 98 3.052 -47.731 -41.406 1.00 43.21 H new ATOM 0 HE2 PHE A 98 6.276 -49.321 -43.699 1.00 14.25 H new ATOM 0 HZ PHE A 98 3.941 -48.548 -43.552 1.00 4.14 H new ATOM 1572 N THR A 99 9.841 -46.638 -39.935 1.00 75.42 N ATOM 1573 CA THR A 99 10.755 -46.223 -40.992 1.00 34.54 C ATOM 1574 C THR A 99 12.095 -46.940 -40.873 1.00 13.45 C ATOM 1575 O THR A 99 12.531 -47.285 -39.774 1.00 33.00 O ATOM 1576 CB THR A 99 10.994 -44.702 -40.961 1.00 33.03 C ATOM 1577 OG1 THR A 99 11.039 -44.240 -39.606 1.00 34.41 O ATOM 1578 CG2 THR A 99 9.899 -43.966 -41.716 1.00 74.32 C ATOM 0 H THR A 99 10.300 -46.936 -39.074 1.00 75.42 H new ATOM 0 HA THR A 99 10.287 -46.491 -41.939 1.00 34.54 H new ATOM 0 HB THR A 99 11.948 -44.497 -41.446 1.00 33.03 H new ATOM 0 HG1 THR A 99 11.193 -43.272 -39.595 1.00 34.41 H new ATOM 0 HG21 THR A 99 10.090 -42.893 -41.680 1.00 74.32 H new ATOM 0 HG22 THR A 99 9.887 -44.298 -42.754 1.00 74.32 H new ATOM 0 HG23 THR A 99 8.934 -44.178 -41.256 1.00 74.32 H new ATOM 1586 N LYS A 100 12.745 -47.161 -42.009 1.00 64.14 N ATOM 1587 CA LYS A 100 14.037 -47.835 -42.034 1.00 22.22 C ATOM 1588 C LYS A 100 14.967 -47.192 -43.058 1.00 71.45 C ATOM 1589 O LYS A 100 15.237 -47.749 -44.123 1.00 22.24 O ATOM 1590 CB LYS A 100 13.855 -49.320 -42.356 1.00 4.32 C ATOM 1591 CG LYS A 100 14.993 -50.194 -41.857 1.00 73.40 C ATOM 1592 CD LYS A 100 14.748 -50.671 -40.435 1.00 71.44 C ATOM 1593 CE LYS A 100 13.834 -51.887 -40.405 1.00 31.42 C ATOM 1594 NZ LYS A 100 14.591 -53.154 -40.601 1.00 12.22 N ATOM 0 H LYS A 100 12.398 -46.883 -42.927 1.00 64.14 H new ATOM 0 HA LYS A 100 14.489 -47.736 -41.047 1.00 22.22 H new ATOM 0 HB2 LYS A 100 12.921 -49.667 -41.915 1.00 4.32 H new ATOM 0 HB3 LYS A 100 13.762 -49.440 -43.435 1.00 4.32 H new ATOM 0 HG2 LYS A 100 15.108 -51.055 -42.516 1.00 73.40 H new ATOM 0 HG3 LYS A 100 15.928 -49.635 -41.898 1.00 73.40 H new ATOM 0 HD2 LYS A 100 15.699 -50.918 -39.964 1.00 71.44 H new ATOM 0 HD3 LYS A 100 14.303 -49.865 -39.851 1.00 71.44 H new ATOM 0 HE2 LYS A 100 13.307 -51.922 -39.451 1.00 31.42 H new ATOM 0 HE3 LYS A 100 13.077 -51.792 -41.184 1.00 31.42 H new ATOM 0 HZ1 LYS A 100 13.933 -53.959 -40.574 1.00 12.22 H new ATOM 0 HZ2 LYS A 100 15.073 -53.131 -41.522 1.00 12.22 H new ATOM 0 HZ3 LYS A 100 15.296 -53.258 -39.844 1.00 12.22 H new ATOM 1608 N PRO A 101 15.470 -45.993 -42.733 1.00 11.23 N ATOM 1609 CA PRO A 101 16.379 -45.249 -43.611 1.00 31.13 C ATOM 1610 C PRO A 101 17.751 -45.906 -43.713 1.00 12.12 C ATOM 1611 O PRO A 101 18.476 -46.009 -42.723 1.00 71.31 O ATOM 1612 CB PRO A 101 16.490 -43.883 -42.931 1.00 55.41 C ATOM 1613 CG PRO A 101 16.192 -44.147 -41.496 1.00 53.14 C ATOM 1614 CD PRO A 101 15.191 -45.269 -41.481 1.00 35.32 C ATOM 0 HA PRO A 101 16.009 -45.201 -44.635 1.00 31.13 H new ATOM 0 HB2 PRO A 101 17.486 -43.458 -43.057 1.00 55.41 H new ATOM 0 HB3 PRO A 101 15.784 -43.170 -43.357 1.00 55.41 H new ATOM 0 HG2 PRO A 101 17.096 -44.424 -40.954 1.00 53.14 H new ATOM 0 HG3 PRO A 101 15.789 -43.258 -41.011 1.00 53.14 H new ATOM 0 HD2 PRO A 101 15.319 -45.910 -40.609 1.00 35.32 H new ATOM 0 HD3 PRO A 101 14.168 -44.894 -41.453 1.00 35.32 H new ATOM 1622 N ARG A 102 18.103 -46.348 -44.916 1.00 74.10 N ATOM 1623 CA ARG A 102 19.388 -46.994 -45.147 1.00 63.41 C ATOM 1624 C ARG A 102 20.424 -45.987 -45.635 1.00 0.52 C ATOM 1625 O ARG A 102 20.602 -45.797 -46.838 1.00 42.13 O ATOM 1626 CB ARG A 102 19.239 -48.123 -46.170 1.00 23.33 C ATOM 1627 CG ARG A 102 20.462 -49.020 -46.271 1.00 12.32 C ATOM 1628 CD ARG A 102 20.127 -50.348 -46.929 1.00 11.34 C ATOM 1629 NE ARG A 102 19.320 -51.201 -46.060 1.00 60.22 N ATOM 1630 CZ ARG A 102 19.799 -51.823 -44.989 1.00 3.13 C ATOM 1631 NH1 ARG A 102 21.076 -51.688 -44.656 1.00 14.30 N ATOM 1632 NH2 ARG A 102 19.002 -52.583 -44.248 1.00 43.43 N ATOM 0 H ARG A 102 17.515 -46.270 -45.746 1.00 74.10 H new ATOM 0 HA ARG A 102 19.730 -47.412 -44.200 1.00 63.41 H new ATOM 0 HB2 ARG A 102 18.374 -48.731 -45.904 1.00 23.33 H new ATOM 0 HB3 ARG A 102 19.035 -47.690 -47.149 1.00 23.33 H new ATOM 0 HG2 ARG A 102 21.239 -48.514 -46.845 1.00 12.32 H new ATOM 0 HG3 ARG A 102 20.867 -49.198 -45.275 1.00 12.32 H new ATOM 0 HD2 ARG A 102 19.589 -50.166 -47.859 1.00 11.34 H new ATOM 0 HD3 ARG A 102 21.050 -50.866 -47.190 1.00 11.34 H new ATOM 0 HE ARG A 102 18.334 -51.326 -46.289 1.00 60.22 H new ATOM 0 HH11 ARG A 102 21.692 -51.105 -45.223 1.00 14.30 H new ATOM 0 HH12 ARG A 102 21.442 -52.167 -43.833 1.00 14.30 H new ATOM 0 HH21 ARG A 102 18.020 -52.690 -44.501 1.00 43.43 H new ATOM 0 HH22 ARG A 102 19.372 -53.060 -43.426 1.00 43.43 H new ATOM 1646 N ASP A 103 21.104 -45.342 -44.692 1.00 25.40 N ATOM 1647 CA ASP A 103 22.124 -44.354 -45.025 1.00 61.53 C ATOM 1648 C ASP A 103 23.507 -44.834 -44.599 1.00 31.31 C ATOM 1649 O ASP A 103 23.643 -45.596 -43.641 1.00 74.40 O ATOM 1650 CB ASP A 103 21.806 -43.017 -44.354 1.00 52.13 C ATOM 1651 CG ASP A 103 21.762 -43.123 -42.842 1.00 61.54 C ATOM 1652 OD1 ASP A 103 20.756 -43.640 -42.314 1.00 54.33 O ATOM 1653 OD2 ASP A 103 22.734 -42.689 -42.189 1.00 73.40 O ATOM 0 H ASP A 103 20.967 -45.486 -43.692 1.00 25.40 H new ATOM 0 HA ASP A 103 22.124 -44.219 -46.107 1.00 61.53 H new ATOM 0 HB2 ASP A 103 22.557 -42.282 -44.642 1.00 52.13 H new ATOM 0 HB3 ASP A 103 20.846 -42.651 -44.718 1.00 52.13 H new ATOM 1658 N MET A 104 24.531 -44.386 -45.316 1.00 60.34 N ATOM 1659 CA MET A 104 25.905 -44.771 -45.012 1.00 50.15 C ATOM 1660 C MET A 104 26.270 -44.394 -43.580 1.00 51.50 C ATOM 1661 O MET A 104 27.448 -44.313 -43.229 1.00 75.55 O ATOM 1662 CB MET A 104 26.873 -44.103 -45.990 1.00 52.25 C ATOM 1663 CG MET A 104 26.472 -44.264 -47.448 1.00 13.12 C ATOM 1664 SD MET A 104 27.786 -43.789 -48.586 1.00 63.22 S ATOM 1665 CE MET A 104 28.888 -45.193 -48.437 1.00 34.12 C ATOM 0 H MET A 104 24.436 -43.756 -46.112 1.00 60.34 H new ATOM 0 HA MET A 104 25.984 -45.853 -45.116 1.00 50.15 H new ATOM 0 HB2 MET A 104 26.939 -43.041 -45.755 1.00 52.25 H new ATOM 0 HB3 MET A 104 27.869 -44.523 -45.847 1.00 52.25 H new ATOM 0 HG2 MET A 104 26.195 -45.302 -47.632 1.00 13.12 H new ATOM 0 HG3 MET A 104 25.588 -43.658 -47.647 1.00 13.12 H new ATOM 0 HE1 MET A 104 29.625 -45.164 -49.239 1.00 34.12 H new ATOM 0 HE2 MET A 104 29.398 -45.155 -47.474 1.00 34.12 H new ATOM 0 HE3 MET A 104 28.313 -46.116 -48.506 1.00 34.12 H new TER 1675 MET A 104