USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 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 113 ASN : amide:sc= 1.62 K(o=2.3,f=-2.3) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.646 K(o=2.3,f=-5.4!) USER MOD Set 2.1: A 21 THR OG1 : rot -78:sc= -0.0936 USER MOD Set 2.2: A 96 ASN : amide:sc= 1.4 K(o=2.7,f=-7) USER MOD Set 2.3: A 98 GLN : amide:sc= 1.39 K(o=2.7,f=-6!) USER MOD Set 3.1: A 84 ASN : amide:sc= 1.47 K(o=2.4,f=-1.9) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 174:sc= 0.964 (180deg=0) USER MOD Set 4.1: A 66 TYR OH : rot 180:sc= 0.265 USER MOD Set 4.2: A 74 LYS NZ :NH3+ 138:sc= 0.28 (180deg=0) USER MOD Set 5.1: A 47 GLN : amide:sc=-0.00545 X(o=0.087,f=0.01) USER MOD Set 5.2: A 115 GLN : amide:sc= 0.0923 X(o=0.087,f=-0.05) USER MOD Set 6.1: A 42 CYS SG : rot -34:sc= -0.111 USER MOD Set 6.2: A 62 CYS SG : rot -137:sc= 0.663 USER MOD Single : A 3 GLN : amide:sc= 0.876 K(o=0.88,f=0) USER MOD Single : A 6 SER OG : rot 57:sc= 0.796 USER MOD Single : A 7 GLN : amide:sc= 0.477 X(o=0.48,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.0041) USER MOD Single : A 11 TYR OH : rot 162:sc= 0.0568 USER MOD Single : A 14 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.23) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.222 K(o=-0.22,f=-3.1!) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0739) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc=-0.00592 (180deg=-0.138) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc=-0.000333 (180deg=-0.055) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= 0.157 (180deg=0.079) USER MOD Single : A 41 THR OG1 : rot 79:sc= 0.723 USER MOD Single : A 50 THR OG1 : rot 66:sc= 0.438 USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= 1.25 (180deg=1.15) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.1!) USER MOD Single : A 69 THR OG1 : rot 74:sc= 1.17 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -153:sc= 0.695 (180deg=0.192) USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= 0.944 (180deg=0.833) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.423 K(o=-0.42,f=-3.8!) USER MOD Single : A 106 THR OG1 : rot 66:sc= 0.839 USER MOD Single : A 111 LYS NZ :NH3+ -123:sc= 1.15 (180deg=-0.145) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 75:sc= 0.611 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 120 HIS : no HD1:sc= 0.962 K(o=0.96,f=-2.9!) USER MOD Single : A 121 HIS : no HE2:sc= -1.3 X(o=-1.3,f=-1) USER MOD Single : A 122 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.0062) USER MOD Single : A 123 HIS : no HD1:sc= -0.694 X(o=-0.69,f=-0.95) USER MOD Single : A 125 HIS : no HE2:sc= 0.231 K(o=0.23,f=-2) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.536 0.561 0.793 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.562 1.047 0.601 1.00 25.00 O HETATM 3 C2 MYR A 1 1.156 -0.453 -0.151 1.00 25.00 C HETATM 4 C3 MYR A 1 0.609 -1.892 0.115 1.00 25.00 C HETATM 5 C4 MYR A 1 1.199 -2.532 1.415 1.00 25.00 C HETATM 6 C5 MYR A 1 0.228 -3.536 2.063 1.00 25.00 C HETATM 7 C6 MYR A 1 0.696 -3.996 3.470 1.00 25.00 C HETATM 8 C7 MYR A 1 -0.482 -4.645 4.238 1.00 25.00 C HETATM 9 C8 MYR A 1 -0.044 -5.229 5.614 1.00 25.00 C HETATM 10 C9 MYR A 1 -1.226 -5.903 6.385 1.00 25.00 C HETATM 11 C10 MYR A 1 -2.179 -4.847 7.027 1.00 25.00 C HETATM 12 C11 MYR A 1 -3.552 -5.406 7.482 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.540 -5.874 8.965 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.947 -6.289 9.473 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.858 -5.079 9.803 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.392 -4.474 10.581 1.00 25.00 H new HETATM 0 H142 MYR A 1 -5.997 -4.473 8.908 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.826 -5.437 10.153 1.00 25.00 H new HETATM 0 H132 MYR A 1 -5.432 -6.905 8.716 1.00 25.00 H new HETATM 0 H131 MYR A 1 -4.837 -6.907 10.364 1.00 25.00 H new HETATM 0 H122 MYR A 1 -2.857 -6.717 9.070 1.00 25.00 H new HETATM 0 H121 MYR A 1 -3.154 -5.071 9.592 1.00 25.00 H new HETATM 0 H112 MYR A 1 -4.315 -4.638 7.352 1.00 25.00 H new HETATM 0 H111 MYR A 1 -3.830 -6.243 6.842 1.00 25.00 H new HETATM 0 H102 MYR A 1 -1.680 -4.403 7.888 1.00 25.00 H new HETATM 0 H101 MYR A 1 -2.348 -4.046 6.308 1.00 25.00 H new HETATM 0 H92 MYR A 1 -1.792 -6.535 5.701 1.00 25.00 H new HETATM 0 H91 MYR A 1 -0.828 -6.553 7.164 1.00 25.00 H new HETATM 0 H82 MYR A 1 0.748 -5.962 5.458 1.00 25.00 H new HETATM 0 H81 MYR A 1 0.376 -4.431 6.226 1.00 25.00 H new HETATM 0 H72 MYR A 1 -1.264 -3.902 4.394 1.00 25.00 H new HETATM 0 H71 MYR A 1 -0.915 -5.440 3.630 1.00 25.00 H new HETATM 0 H62 MYR A 1 1.515 -4.709 3.374 1.00 25.00 H new HETATM 0 H61 MYR A 1 1.080 -3.144 4.031 1.00 25.00 H new HETATM 0 H52 MYR A 1 -0.759 -3.081 2.143 1.00 25.00 H new HETATM 0 H51 MYR A 1 0.126 -4.407 1.415 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.135 -3.037 1.176 1.00 25.00 H new HETATM 0 H41 MYR A 1 1.435 -1.744 2.131 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.477 -1.854 0.194 1.00 25.00 H new HETATM 0 H31 MYR A 1 0.844 -2.529 -0.738 1.00 25.00 H new HETATM 0 H22 MYR A 1 0.946 -0.168 -1.182 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.240 -0.447 -0.033 1.00 25.00 H new ATOM 43 N GLY A 2 1.291 0.878 1.867 1.00 25.00 N ATOM 44 CA GLY A 2 0.864 1.753 2.949 1.00 25.00 C ATOM 45 C GLY A 2 0.371 3.102 2.489 1.00 25.00 C ATOM 46 O GLY A 2 -0.664 3.572 2.947 1.00 25.00 O ATOM 0 HA2 GLY A 2 0.070 1.259 3.510 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.698 1.897 3.636 1.00 25.00 H new ATOM 50 N GLN A 3 1.086 3.716 1.559 1.00 25.00 N ATOM 51 CA GLN A 3 0.706 5.040 1.062 1.00 25.00 C ATOM 52 C GLN A 3 -0.659 5.017 0.364 1.00 25.00 C ATOM 53 O GLN A 3 -1.429 5.971 0.457 1.00 25.00 O ATOM 54 CB GLN A 3 1.772 5.563 0.093 1.00 25.00 C ATOM 55 CG GLN A 3 3.138 5.780 0.748 1.00 25.00 C ATOM 56 CD GLN A 3 4.134 6.422 -0.198 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.912 7.512 -0.695 1.00 25.00 O ATOM 58 NE2 GLN A 3 5.228 5.754 -0.446 1.00 25.00 N ATOM 0 H GLN A 3 1.927 3.327 1.133 1.00 25.00 H new ATOM 0 HA GLN A 3 0.631 5.705 1.923 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.881 4.857 -0.731 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.430 6.505 -0.337 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.020 6.410 1.630 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.531 4.823 1.090 1.00 25.00 H new ATOM 0 HE21 GLN A 3 5.379 4.844 -0.011 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.931 6.142 -1.074 1.00 25.00 H new ATOM 67 N GLU A 4 -0.961 3.926 -0.324 1.00 25.00 N ATOM 68 CA GLU A 4 -2.232 3.788 -1.040 1.00 25.00 C ATOM 69 C GLU A 4 -3.377 3.440 -0.089 1.00 25.00 C ATOM 70 O GLU A 4 -4.522 3.863 -0.278 1.00 25.00 O ATOM 71 CB GLU A 4 -2.090 2.698 -2.103 1.00 25.00 C ATOM 72 CG GLU A 4 -3.356 2.466 -2.893 1.00 25.00 C ATOM 73 CD GLU A 4 -3.091 1.825 -4.247 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.028 1.192 -4.423 1.00 25.00 O ATOM 75 OE2 GLU A 4 -3.942 1.968 -5.148 1.00 25.00 O ATOM 0 H GLU A 4 -0.344 3.118 -0.405 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.470 4.743 -1.509 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.287 2.971 -2.788 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.795 1.766 -1.621 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -4.027 1.828 -2.318 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.868 3.417 -3.039 1.00 25.00 H new ATOM 82 N LEU A 5 -3.067 2.684 0.947 1.00 25.00 N ATOM 83 CA LEU A 5 -4.069 2.298 1.939 1.00 25.00 C ATOM 84 C LEU A 5 -4.631 3.520 2.662 1.00 25.00 C ATOM 85 O LEU A 5 -5.838 3.615 2.856 1.00 25.00 O ATOM 86 CB LEU A 5 -3.472 1.315 2.944 1.00 25.00 C ATOM 87 CG LEU A 5 -3.307 -0.128 2.438 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.502 -0.927 3.440 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.657 -0.804 2.219 1.00 25.00 C ATOM 0 H LEU A 5 -2.131 2.322 1.129 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.890 1.810 1.414 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.496 1.687 3.254 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.104 1.301 3.832 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.787 -0.091 1.481 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.386 -1.949 3.081 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.519 -0.472 3.563 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.020 -0.936 4.399 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.501 -1.822 1.862 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.208 -0.830 3.159 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.229 -0.244 1.479 1.00 25.00 H new ATOM 101 N SER A 6 -3.783 4.490 2.985 1.00 25.00 N ATOM 102 CA SER A 6 -4.243 5.753 3.573 1.00 25.00 C ATOM 103 C SER A 6 -5.156 6.578 2.651 1.00 25.00 C ATOM 104 O SER A 6 -5.775 7.532 3.101 1.00 25.00 O ATOM 105 CB SER A 6 -3.037 6.612 3.952 1.00 25.00 C ATOM 106 OG SER A 6 -1.882 6.199 3.243 1.00 25.00 O ATOM 0 H SER A 6 -2.773 4.431 2.852 1.00 25.00 H new ATOM 0 HA SER A 6 -4.834 5.477 4.447 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.248 7.659 3.734 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.856 6.540 5.024 1.00 25.00 H new ATOM 0 HG SER A 6 -2.060 6.233 2.280 1.00 25.00 H new ATOM 112 N GLN A 7 -5.231 6.226 1.373 1.00 25.00 N ATOM 113 CA GLN A 7 -6.080 6.946 0.415 1.00 25.00 C ATOM 114 C GLN A 7 -7.400 6.202 0.193 1.00 25.00 C ATOM 115 O GLN A 7 -8.329 6.724 -0.412 1.00 25.00 O ATOM 116 CB GLN A 7 -5.347 7.102 -0.921 1.00 25.00 C ATOM 117 CG GLN A 7 -4.075 7.936 -0.818 1.00 25.00 C ATOM 118 CD GLN A 7 -3.279 7.938 -2.103 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.765 8.322 -3.151 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.052 7.502 -2.026 1.00 25.00 N ATOM 0 H GLN A 7 -4.715 5.444 0.969 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.299 7.931 0.826 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -5.095 6.114 -1.307 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -6.019 7.565 -1.644 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -4.337 8.961 -0.555 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -3.454 7.548 -0.010 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.678 7.188 -1.131 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.467 7.475 -2.861 1.00 25.00 H new ATOM 129 N HIS A 8 -7.487 4.976 0.689 1.00 25.00 N ATOM 130 CA HIS A 8 -8.714 4.189 0.570 1.00 25.00 C ATOM 131 C HIS A 8 -9.568 4.471 1.796 1.00 25.00 C ATOM 132 O HIS A 8 -9.443 3.803 2.813 1.00 25.00 O ATOM 133 CB HIS A 8 -8.385 2.698 0.459 1.00 25.00 C ATOM 134 CG HIS A 8 -8.422 2.184 -0.947 1.00 25.00 C ATOM 135 ND1 HIS A 8 -7.363 2.317 -1.849 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.392 1.534 -1.648 1.00 25.00 C ATOM 137 CE1 HIS A 8 -7.712 1.759 -3.005 1.00 25.00 C ATOM 138 NE2 HIS A 8 -8.927 1.283 -2.902 1.00 25.00 N ATOM 0 H HIS A 8 -6.727 4.502 1.177 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.259 4.466 -0.332 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.394 2.520 0.877 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -9.093 2.131 1.064 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.367 1.263 -1.272 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -7.092 1.707 -3.888 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -9.441 0.803 -3.641 1.00 25.00 H new ATOM 146 N GLU A 9 -10.408 5.487 1.708 1.00 25.00 N ATOM 147 CA GLU A 9 -11.165 5.978 2.864 1.00 25.00 C ATOM 148 C GLU A 9 -11.959 4.925 3.646 1.00 25.00 C ATOM 149 O GLU A 9 -11.964 4.958 4.863 1.00 25.00 O ATOM 150 CB GLU A 9 -12.093 7.108 2.435 1.00 25.00 C ATOM 151 CG GLU A 9 -11.332 8.319 1.920 1.00 25.00 C ATOM 152 CD GLU A 9 -12.242 9.503 1.678 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.140 9.394 0.818 1.00 25.00 O ATOM 154 OE2 GLU A 9 -12.068 10.537 2.357 1.00 25.00 O ATOM 0 H GLU A 9 -10.589 5.997 0.844 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.404 6.327 3.562 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.765 6.747 1.657 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.714 7.405 3.280 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.562 8.596 2.640 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.822 8.059 0.992 1.00 25.00 H new ATOM 161 N ARG A 10 -12.567 3.953 2.980 1.00 25.00 N ATOM 162 CA ARG A 10 -13.306 2.901 3.705 1.00 25.00 C ATOM 163 C ARG A 10 -12.397 2.066 4.613 1.00 25.00 C ATOM 164 O ARG A 10 -12.816 1.612 5.672 1.00 25.00 O ATOM 165 CB ARG A 10 -14.049 1.991 2.727 1.00 25.00 C ATOM 166 CG ARG A 10 -15.245 2.686 2.077 1.00 25.00 C ATOM 167 CD ARG A 10 -15.976 1.784 1.076 1.00 25.00 C ATOM 168 NE ARG A 10 -16.529 0.562 1.693 1.00 25.00 N ATOM 169 CZ ARG A 10 -17.661 0.491 2.391 1.00 25.00 C ATOM 170 NH1 ARG A 10 -18.408 1.540 2.636 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.046 -0.666 2.854 1.00 25.00 N ATOM 0 H ARG A 10 -12.571 3.861 1.964 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.028 3.409 4.345 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.360 1.657 1.951 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.392 1.100 3.253 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.943 3.003 2.852 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.904 3.587 1.567 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -16.785 2.348 0.612 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.287 1.502 0.280 1.00 25.00 H new ATOM 0 HE ARG A 10 -15.999 -0.301 1.575 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -18.129 2.457 2.287 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -19.268 1.439 3.175 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -17.483 -1.498 2.679 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -18.910 -0.739 3.391 1.00 25.00 H new ATOM 185 N TYR A 11 -11.145 1.903 4.220 1.00 25.00 N ATOM 186 CA TYR A 11 -10.172 1.199 5.051 1.00 25.00 C ATOM 187 C TYR A 11 -9.679 2.134 6.153 1.00 25.00 C ATOM 188 O TYR A 11 -9.518 1.729 7.305 1.00 25.00 O ATOM 189 CB TYR A 11 -8.998 0.721 4.198 1.00 25.00 C ATOM 190 CG TYR A 11 -7.861 0.179 5.020 1.00 25.00 C ATOM 191 CD1 TYR A 11 -7.977 -1.054 5.689 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.662 0.907 5.156 1.00 25.00 C ATOM 193 CE1 TYR A 11 -6.911 -1.552 6.477 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.596 0.407 5.942 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.738 -0.818 6.597 1.00 25.00 C ATOM 196 OH TYR A 11 -4.716 -1.298 7.368 1.00 25.00 O ATOM 0 H TYR A 11 -10.775 2.246 3.334 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.646 0.328 5.503 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.345 -0.052 3.512 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.637 1.549 3.589 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.889 -1.626 5.600 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.555 1.858 4.655 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.010 -2.501 6.984 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.679 0.969 6.034 1.00 25.00 H new ATOM 0 HH TYR A 11 -3.884 -0.836 7.133 1.00 25.00 H new ATOM 206 N VAL A 12 -9.501 3.402 5.806 1.00 25.00 N ATOM 207 CA VAL A 12 -9.107 4.432 6.768 1.00 25.00 C ATOM 208 C VAL A 12 -10.135 4.493 7.899 1.00 25.00 C ATOM 209 O VAL A 12 -9.762 4.649 9.048 1.00 25.00 O ATOM 210 CB VAL A 12 -8.974 5.829 6.063 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.747 6.975 7.058 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.818 5.802 5.062 1.00 25.00 C ATOM 0 H VAL A 12 -9.624 3.748 4.854 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.133 4.176 7.185 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.919 6.014 5.552 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.662 7.917 6.515 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.588 7.029 7.749 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.829 6.795 7.617 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.733 6.775 4.578 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.889 5.575 5.585 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.007 5.037 4.309 1.00 25.00 H new ATOM 222 N GLU A 13 -11.414 4.329 7.591 1.00 25.00 N ATOM 223 CA GLU A 13 -12.465 4.339 8.614 1.00 25.00 C ATOM 224 C GLU A 13 -12.313 3.223 9.647 1.00 25.00 C ATOM 225 O GLU A 13 -12.398 3.476 10.851 1.00 25.00 O ATOM 226 CB GLU A 13 -13.840 4.235 7.959 1.00 25.00 C ATOM 227 CG GLU A 13 -14.271 5.518 7.275 1.00 25.00 C ATOM 228 CD GLU A 13 -15.619 5.380 6.596 1.00 25.00 C ATOM 229 OE1 GLU A 13 -15.746 4.569 5.649 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.556 6.083 7.023 1.00 25.00 O ATOM 0 H GLU A 13 -11.755 4.187 6.640 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.365 5.286 9.144 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.827 3.427 7.228 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.577 3.968 8.716 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.317 6.322 8.010 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -13.522 5.804 6.537 1.00 25.00 H new ATOM 237 N GLN A 14 -12.049 2.003 9.206 1.00 25.00 N ATOM 238 CA GLN A 14 -11.867 0.896 10.147 1.00 25.00 C ATOM 239 C GLN A 14 -10.561 1.064 10.908 1.00 25.00 C ATOM 240 O GLN A 14 -10.493 0.852 12.125 1.00 25.00 O ATOM 241 CB GLN A 14 -11.860 -0.445 9.413 1.00 25.00 C ATOM 242 CG GLN A 14 -13.220 -0.842 8.859 1.00 25.00 C ATOM 243 CD GLN A 14 -14.278 -0.941 9.939 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.276 -0.249 9.904 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.055 -1.794 10.907 1.00 25.00 N ATOM 0 H GLN A 14 -11.956 1.751 8.222 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.701 0.908 10.849 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.143 -0.398 8.594 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.514 -1.222 10.095 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.533 -0.111 8.114 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.135 -1.801 8.348 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.206 -2.359 10.903 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.731 -1.894 11.665 1.00 25.00 H new ATOM 254 N LEU A 15 -9.519 1.475 10.202 1.00 25.00 N ATOM 255 CA LEU A 15 -8.215 1.659 10.821 1.00 25.00 C ATOM 256 C LEU A 15 -8.239 2.822 11.816 1.00 25.00 C ATOM 257 O LEU A 15 -7.482 2.832 12.774 1.00 25.00 O ATOM 258 CB LEU A 15 -7.153 1.886 9.746 1.00 25.00 C ATOM 259 CG LEU A 15 -5.697 1.702 10.204 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.383 0.235 10.522 1.00 25.00 C ATOM 261 CD2 LEU A 15 -4.775 2.195 9.118 1.00 25.00 C ATOM 0 H LEU A 15 -9.550 1.687 9.205 1.00 25.00 H new ATOM 0 HA LEU A 15 -7.964 0.754 11.375 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.345 1.201 8.920 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.267 2.897 9.355 1.00 25.00 H new ATOM 0 HG LEU A 15 -5.550 2.277 11.118 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.345 0.146 10.842 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -6.040 -0.113 11.319 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.541 -0.372 9.631 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -3.740 2.068 9.434 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -4.948 1.623 8.206 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -4.969 3.250 8.927 1.00 25.00 H new ATOM 273 N LYS A 16 -9.159 3.761 11.625 1.00 25.00 N ATOM 274 CA LYS A 16 -9.364 4.882 12.557 1.00 25.00 C ATOM 275 C LYS A 16 -9.643 4.337 13.940 1.00 25.00 C ATOM 276 O LYS A 16 -9.087 4.800 14.937 1.00 25.00 O ATOM 277 CB LYS A 16 -10.566 5.719 12.090 1.00 25.00 C ATOM 278 CG LYS A 16 -10.463 7.225 12.306 1.00 25.00 C ATOM 279 CD LYS A 16 -11.709 7.946 11.731 1.00 25.00 C ATOM 280 CE LYS A 16 -11.731 7.949 10.180 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.019 8.513 9.610 1.00 25.00 N ATOM 0 H LYS A 16 -9.788 3.773 10.822 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.470 5.506 12.581 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -10.719 5.535 11.027 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.456 5.359 12.607 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.371 7.440 13.371 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.562 7.606 11.825 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.610 7.459 12.103 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.729 8.974 12.093 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.889 8.534 9.811 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.594 6.930 9.818 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.978 8.490 8.571 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.823 7.941 9.937 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.140 9.495 9.930 1.00 25.00 H new ATOM 295 N GLN A 17 -10.493 3.324 13.991 1.00 25.00 N ATOM 296 CA GLN A 17 -10.839 2.700 15.252 1.00 25.00 C ATOM 297 C GLN A 17 -9.699 1.817 15.723 1.00 25.00 C ATOM 298 O GLN A 17 -9.377 1.814 16.894 1.00 25.00 O ATOM 299 CB GLN A 17 -12.123 1.870 15.119 1.00 25.00 C ATOM 300 CG GLN A 17 -13.368 2.670 14.686 1.00 25.00 C ATOM 301 CD GLN A 17 -13.937 3.572 15.782 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.266 3.928 16.745 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.181 3.943 15.630 1.00 25.00 N ATOM 0 H GLN A 17 -10.953 2.920 13.175 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.014 3.486 15.986 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -11.951 1.073 14.395 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.331 1.392 16.076 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.112 3.283 13.822 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.142 1.973 14.364 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.711 3.629 14.817 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.622 4.547 16.324 1.00 25.00 H new ATOM 312 N ALA A 18 -9.073 1.072 14.826 1.00 25.00 N ATOM 313 CA ALA A 18 -7.991 0.174 15.229 1.00 25.00 C ATOM 314 C ALA A 18 -6.797 0.940 15.848 1.00 25.00 C ATOM 315 O ALA A 18 -6.268 0.541 16.884 1.00 25.00 O ATOM 316 CB ALA A 18 -7.531 -0.658 14.031 1.00 25.00 C ATOM 0 H ALA A 18 -9.287 1.067 13.829 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.381 -0.488 16.002 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.725 -1.324 14.339 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.367 -1.249 13.656 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.173 0.005 13.244 1.00 25.00 H new ATOM 322 N LEU A 19 -6.416 2.058 15.240 1.00 25.00 N ATOM 323 CA LEU A 19 -5.323 2.899 15.751 1.00 25.00 C ATOM 324 C LEU A 19 -5.676 3.381 17.165 1.00 25.00 C ATOM 325 O LEU A 19 -4.842 3.376 18.069 1.00 25.00 O ATOM 326 CB LEU A 19 -5.107 4.121 14.820 1.00 25.00 C ATOM 327 CG LEU A 19 -4.127 3.954 13.632 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.503 4.812 12.419 1.00 25.00 C ATOM 329 CD2 LEU A 19 -2.715 4.346 14.039 1.00 25.00 C ATOM 0 H LEU A 19 -6.848 2.411 14.386 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.403 2.315 15.780 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.077 4.412 14.417 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.755 4.951 15.432 1.00 25.00 H new ATOM 0 HG LEU A 19 -4.184 2.901 13.355 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.779 4.651 11.621 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -5.497 4.532 12.069 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -4.501 5.864 12.703 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.044 4.221 13.190 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -2.705 5.388 14.359 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.383 3.711 14.860 1.00 25.00 H new ATOM 341 N LYS A 20 -6.928 3.779 17.352 1.00 25.00 N ATOM 342 CA LYS A 20 -7.393 4.307 18.638 1.00 25.00 C ATOM 343 C LYS A 20 -7.599 3.240 19.716 1.00 25.00 C ATOM 344 O LYS A 20 -7.292 3.478 20.879 1.00 25.00 O ATOM 345 CB LYS A 20 -8.708 5.064 18.406 1.00 25.00 C ATOM 346 CG LYS A 20 -9.242 5.803 19.627 1.00 25.00 C ATOM 347 CD LYS A 20 -10.549 6.517 19.288 1.00 25.00 C ATOM 348 CE LYS A 20 -11.149 7.211 20.512 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.622 6.219 21.544 1.00 25.00 N ATOM 0 H LYS A 20 -7.646 3.748 16.628 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.609 4.963 19.015 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.560 5.782 17.599 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.464 4.356 18.068 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.406 5.099 20.443 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.504 6.527 19.973 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -10.369 7.253 18.504 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.265 5.797 18.891 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.404 7.871 20.957 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -11.985 7.838 20.201 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.157 6.717 22.284 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.235 5.512 21.090 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -10.801 5.743 21.970 1.00 25.00 H new ATOM 363 N THR A 21 -8.129 2.084 19.347 1.00 25.00 N ATOM 364 CA THR A 21 -8.429 1.018 20.317 1.00 25.00 C ATOM 365 C THR A 21 -7.160 0.439 20.922 1.00 25.00 C ATOM 366 O THR A 21 -7.170 -0.030 22.054 1.00 25.00 O ATOM 367 CB THR A 21 -9.221 -0.152 19.673 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.603 -0.532 18.444 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.655 0.243 19.362 1.00 25.00 C ATOM 0 H THR A 21 -8.364 1.851 18.382 1.00 25.00 H new ATOM 0 HA THR A 21 -9.035 1.488 21.092 1.00 25.00 H new ATOM 0 HB THR A 21 -9.220 -0.974 20.389 1.00 25.00 H new ATOM 0 HG1 THR A 21 -8.841 0.112 17.745 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.176 -0.602 18.913 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.161 0.533 20.283 1.00 25.00 H new ATOM 0 HG23 THR A 21 -10.659 1.083 18.667 1.00 25.00 H new ATOM 377 N ARG A 22 -6.053 0.515 20.195 1.00 25.00 N ATOM 378 CA ARG A 22 -4.773 0.040 20.720 1.00 25.00 C ATOM 379 C ARG A 22 -4.272 0.964 21.828 1.00 25.00 C ATOM 380 O ARG A 22 -3.424 0.580 22.627 1.00 25.00 O ATOM 381 CB ARG A 22 -3.741 -0.052 19.589 1.00 25.00 C ATOM 382 CG ARG A 22 -3.131 -1.446 19.433 1.00 25.00 C ATOM 383 CD ARG A 22 -2.116 -1.760 20.533 1.00 25.00 C ATOM 384 NE ARG A 22 -2.382 -3.060 21.169 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.772 -3.255 22.424 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.998 -2.274 23.265 1.00 25.00 N ATOM 387 NH2 ARG A 22 -2.935 -4.476 22.837 1.00 25.00 N ATOM 0 H ARG A 22 -6.011 0.896 19.250 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.917 -0.954 21.144 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.215 0.236 18.651 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -2.943 0.666 19.776 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -3.925 -2.192 19.451 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.645 -1.521 18.460 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -1.111 -1.761 20.110 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.143 -0.974 21.288 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.255 -3.891 20.591 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -2.876 -1.307 22.965 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -3.296 -2.478 24.219 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -2.764 -5.256 22.202 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -3.234 -4.654 23.796 1.00 25.00 H new ATOM 401 N GLY A 23 -4.789 2.186 21.861 1.00 25.00 N ATOM 402 CA GLY A 23 -4.418 3.145 22.892 1.00 25.00 C ATOM 403 C GLY A 23 -3.062 3.780 22.657 1.00 25.00 C ATOM 404 O GLY A 23 -2.569 4.565 23.476 1.00 25.00 O ATOM 0 H GLY A 23 -5.467 2.536 21.184 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.175 3.928 22.940 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.415 2.645 23.860 1.00 25.00 H new ATOM 408 N VAL A 24 -2.445 3.434 21.539 1.00 25.00 N ATOM 409 CA VAL A 24 -1.113 3.928 21.210 1.00 25.00 C ATOM 410 C VAL A 24 -1.312 5.247 20.489 1.00 25.00 C ATOM 411 O VAL A 24 -2.075 5.331 19.532 1.00 25.00 O ATOM 412 CB VAL A 24 -0.331 2.917 20.319 1.00 25.00 C ATOM 413 CG1 VAL A 24 1.081 3.438 20.012 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.218 1.556 21.029 1.00 25.00 C ATOM 0 H VAL A 24 -2.846 2.810 20.839 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.517 4.057 22.113 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.881 2.801 19.385 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.608 2.715 19.389 1.00 25.00 H new ATOM 0 HG12 VAL A 24 1.011 4.389 19.485 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.627 3.579 20.945 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.331 0.859 20.395 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.311 1.681 21.974 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.216 1.162 21.222 1.00 25.00 H new ATOM 424 N LYS A 25 -0.669 6.297 20.978 1.00 25.00 N ATOM 425 CA LYS A 25 -0.852 7.624 20.400 1.00 25.00 C ATOM 426 C LYS A 25 0.050 7.794 19.185 1.00 25.00 C ATOM 427 O LYS A 25 1.131 8.359 19.277 1.00 25.00 O ATOM 428 CB LYS A 25 -0.547 8.696 21.453 1.00 25.00 C ATOM 429 CG LYS A 25 -1.500 8.638 22.645 1.00 25.00 C ATOM 430 CD LYS A 25 -1.133 9.670 23.706 1.00 25.00 C ATOM 431 CE LYS A 25 -2.090 9.596 24.902 1.00 25.00 C ATOM 432 NZ LYS A 25 -2.013 8.264 25.613 1.00 25.00 N ATOM 0 H LYS A 25 -0.022 6.260 21.766 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.887 7.736 20.078 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.477 8.573 21.805 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -0.609 9.681 20.991 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -2.521 8.812 22.305 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.476 7.640 23.083 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -0.110 9.501 24.044 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -1.165 10.669 23.272 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -1.853 10.395 25.604 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -3.111 9.765 24.559 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -2.515 8.326 26.522 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -2.454 7.530 25.023 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -1.017 8.019 25.784 1.00 25.00 H new ATOM 446 N VAL A 26 -0.437 7.325 18.048 1.00 25.00 N ATOM 447 CA VAL A 26 0.255 7.452 16.767 1.00 25.00 C ATOM 448 C VAL A 26 -0.784 7.854 15.731 1.00 25.00 C ATOM 449 O VAL A 26 -1.987 7.681 15.938 1.00 25.00 O ATOM 450 CB VAL A 26 0.947 6.121 16.328 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.238 5.902 17.122 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.006 4.919 16.508 1.00 25.00 C ATOM 0 H VAL A 26 -1.332 6.840 17.983 1.00 25.00 H new ATOM 0 HA VAL A 26 1.044 8.198 16.861 1.00 25.00 H new ATOM 0 HB VAL A 26 1.192 6.206 15.269 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.707 4.971 16.804 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.921 6.732 16.942 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.006 5.847 18.186 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.515 4.008 16.194 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.278 4.833 17.557 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.888 5.062 15.901 1.00 25.00 H new ATOM 462 N LYS A 27 -0.319 8.428 14.636 1.00 25.00 N ATOM 463 CA LYS A 27 -1.184 8.925 13.572 1.00 25.00 C ATOM 464 C LYS A 27 -1.174 7.948 12.408 1.00 25.00 C ATOM 465 O LYS A 27 -0.323 7.070 12.337 1.00 25.00 O ATOM 466 CB LYS A 27 -0.641 10.285 13.127 1.00 25.00 C ATOM 467 CG LYS A 27 -1.706 11.316 12.764 1.00 25.00 C ATOM 468 CD LYS A 27 -1.085 12.694 12.468 1.00 25.00 C ATOM 469 CE LYS A 27 -0.484 13.342 13.733 1.00 25.00 C ATOM 470 NZ LYS A 27 0.068 14.713 13.456 1.00 25.00 N ATOM 0 H LYS A 27 0.675 8.565 14.455 1.00 25.00 H new ATOM 0 HA LYS A 27 -2.211 9.027 13.924 1.00 25.00 H new ATOM 0 HB2 LYS A 27 -0.021 10.691 13.926 1.00 25.00 H new ATOM 0 HB3 LYS A 27 0.008 10.136 12.264 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -2.263 10.973 11.892 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -2.420 11.406 13.583 1.00 25.00 H new ATOM 0 HD2 LYS A 27 -0.307 12.586 11.712 1.00 25.00 H new ATOM 0 HD3 LYS A 27 -1.847 13.353 12.050 1.00 25.00 H new ATOM 0 HE2 LYS A 27 -1.251 13.409 14.505 1.00 25.00 H new ATOM 0 HE3 LYS A 27 0.308 12.705 14.125 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 0.462 15.112 14.332 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 0.818 14.647 12.738 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 -0.693 15.329 13.106 1.00 25.00 H new ATOM 484 N PHE A 28 -2.063 8.156 11.448 1.00 25.00 N ATOM 485 CA PHE A 28 -2.066 7.352 10.227 1.00 25.00 C ATOM 486 C PHE A 28 -0.738 7.491 9.505 1.00 25.00 C ATOM 487 O PHE A 28 -0.227 6.533 8.955 1.00 25.00 O ATOM 488 CB PHE A 28 -3.166 7.820 9.277 1.00 25.00 C ATOM 489 CG PHE A 28 -4.531 7.336 9.647 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.320 8.033 10.583 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.050 6.179 9.045 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.620 7.579 10.903 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.339 5.721 9.357 1.00 25.00 C ATOM 494 CZ PHE A 28 -7.127 6.423 10.279 1.00 25.00 C ATOM 0 H PHE A 28 -2.790 8.870 11.487 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.237 6.315 10.514 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.172 8.910 9.252 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.931 7.479 8.269 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.929 8.920 11.059 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.449 5.634 8.332 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -7.221 8.116 11.622 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.724 4.828 8.887 1.00 25.00 H new ATOM 0 HZ PHE A 28 -8.124 6.077 10.511 1.00 25.00 H new ATOM 504 N ALA A 29 -0.178 8.694 9.526 1.00 25.00 N ATOM 505 CA ALA A 29 1.089 8.961 8.860 1.00 25.00 C ATOM 506 C ALA A 29 2.189 8.068 9.430 1.00 25.00 C ATOM 507 O ALA A 29 3.040 7.575 8.702 1.00 25.00 O ATOM 508 CB ALA A 29 1.465 10.437 9.040 1.00 25.00 C ATOM 0 H ALA A 29 -0.583 9.502 9.999 1.00 25.00 H new ATOM 0 HA ALA A 29 0.982 8.743 7.797 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.414 10.634 8.541 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.688 11.066 8.605 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.561 10.661 10.102 1.00 25.00 H new ATOM 514 N ASP A 30 2.162 7.879 10.740 1.00 25.00 N ATOM 515 CA ASP A 30 3.194 7.112 11.418 1.00 25.00 C ATOM 516 C ASP A 30 3.006 5.631 11.136 1.00 25.00 C ATOM 517 O ASP A 30 3.959 4.917 10.875 1.00 25.00 O ATOM 518 CB ASP A 30 3.122 7.351 12.928 1.00 25.00 C ATOM 519 CG ASP A 30 3.145 8.823 13.289 1.00 25.00 C ATOM 520 OD1 ASP A 30 3.905 9.595 12.676 1.00 25.00 O ATOM 521 OD2 ASP A 30 2.311 9.223 14.129 1.00 25.00 O ATOM 0 H ASP A 30 1.436 8.247 11.355 1.00 25.00 H new ATOM 0 HA ASP A 30 4.168 7.434 11.048 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.211 6.899 13.320 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.960 6.849 13.412 1.00 25.00 H new ATOM 526 N LEU A 31 1.763 5.169 11.193 1.00 25.00 N ATOM 527 CA LEU A 31 1.479 3.748 11.013 1.00 25.00 C ATOM 528 C LEU A 31 1.654 3.284 9.576 1.00 25.00 C ATOM 529 O LEU A 31 2.386 2.332 9.302 1.00 25.00 O ATOM 530 CB LEU A 31 0.053 3.425 11.471 1.00 25.00 C ATOM 531 CG LEU A 31 -0.339 1.942 11.316 1.00 25.00 C ATOM 532 CD1 LEU A 31 0.606 1.052 12.109 1.00 25.00 C ATOM 533 CD2 LEU A 31 -1.765 1.694 11.765 1.00 25.00 C ATOM 0 H LEU A 31 0.942 5.750 11.361 1.00 25.00 H new ATOM 0 HA LEU A 31 2.206 3.213 11.625 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.054 3.710 12.518 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.647 4.036 10.901 1.00 25.00 H new ATOM 0 HG LEU A 31 -0.263 1.696 10.257 1.00 25.00 H new ATOM 0 HD11 LEU A 31 0.312 0.009 11.987 1.00 25.00 H new ATOM 0 HD12 LEU A 31 1.625 1.187 11.745 1.00 25.00 H new ATOM 0 HD13 LEU A 31 0.559 1.321 13.164 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -2.007 0.638 11.642 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -1.869 1.970 12.814 1.00 25.00 H new ATOM 0 HD23 LEU A 31 -2.446 2.295 11.162 1.00 25.00 H new ATOM 545 N LEU A 32 0.972 3.940 8.650 1.00 25.00 N ATOM 546 CA LEU A 32 1.033 3.527 7.238 1.00 25.00 C ATOM 547 C LEU A 32 2.434 3.653 6.646 1.00 25.00 C ATOM 548 O LEU A 32 2.758 2.979 5.671 1.00 25.00 O ATOM 549 CB LEU A 32 0.037 4.299 6.361 1.00 25.00 C ATOM 550 CG LEU A 32 -1.432 3.832 6.363 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.586 2.343 6.057 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.102 4.122 7.673 1.00 25.00 C ATOM 0 H LEU A 32 0.377 4.748 8.835 1.00 25.00 H new ATOM 0 HA LEU A 32 0.756 2.473 7.238 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.057 5.344 6.671 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.398 4.264 5.333 1.00 25.00 H new ATOM 0 HG LEU A 32 -1.913 4.399 5.566 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.643 2.076 6.073 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.173 2.129 5.071 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.053 1.760 6.808 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.136 3.779 7.637 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.575 3.603 8.474 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.082 5.195 7.862 1.00 25.00 H new ATOM 564 N LYS A 33 3.289 4.454 7.263 1.00 25.00 N ATOM 565 CA LYS A 33 4.701 4.509 6.858 1.00 25.00 C ATOM 566 C LYS A 33 5.327 3.113 6.928 1.00 25.00 C ATOM 567 O LYS A 33 6.054 2.700 6.029 1.00 25.00 O ATOM 568 CB LYS A 33 5.476 5.472 7.765 1.00 25.00 C ATOM 569 CG LYS A 33 6.958 5.564 7.446 1.00 25.00 C ATOM 570 CD LYS A 33 7.641 6.594 8.337 1.00 25.00 C ATOM 571 CE LYS A 33 9.146 6.661 8.061 1.00 25.00 C ATOM 572 NZ LYS A 33 9.451 7.140 6.665 1.00 25.00 N ATOM 0 H LYS A 33 3.043 5.071 8.037 1.00 25.00 H new ATOM 0 HA LYS A 33 4.753 4.870 5.831 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.035 6.466 7.684 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.357 5.154 8.801 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.426 4.589 7.585 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.093 5.836 6.399 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.195 7.574 8.170 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.472 6.341 9.384 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.616 7.329 8.783 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.584 5.674 8.208 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.474 7.298 6.568 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.145 6.422 5.977 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 8.944 8.030 6.485 1.00 25.00 H new ATOM 586 N PHE A 34 5.024 2.377 7.984 1.00 25.00 N ATOM 587 CA PHE A 34 5.569 1.033 8.166 1.00 25.00 C ATOM 588 C PHE A 34 4.856 0.016 7.283 1.00 25.00 C ATOM 589 O PHE A 34 5.438 -0.992 6.899 1.00 25.00 O ATOM 590 CB PHE A 34 5.496 0.639 9.640 1.00 25.00 C ATOM 591 CG PHE A 34 6.522 1.343 10.479 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.258 2.620 10.992 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.774 0.754 10.727 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.226 3.318 11.744 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.757 1.442 11.484 1.00 25.00 C ATOM 596 CZ PHE A 34 8.477 2.729 11.992 1.00 25.00 C ATOM 0 H PHE A 34 4.403 2.684 8.732 1.00 25.00 H new ATOM 0 HA PHE A 34 6.615 1.040 7.859 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.501 0.866 10.024 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.635 -0.438 9.731 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.297 3.078 10.809 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.989 -0.230 10.338 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.006 4.303 12.128 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.716 0.983 11.671 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.221 3.258 12.569 1.00 25.00 H new ATOM 606 N PHE A 35 3.628 0.315 6.890 1.00 25.00 N ATOM 607 CA PHE A 35 2.900 -0.546 5.952 1.00 25.00 C ATOM 608 C PHE A 35 3.545 -0.441 4.567 1.00 25.00 C ATOM 609 O PHE A 35 3.413 -1.329 3.739 1.00 25.00 O ATOM 610 CB PHE A 35 1.429 -0.140 5.846 1.00 25.00 C ATOM 611 CG PHE A 35 0.558 -0.647 6.967 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.949 -0.564 8.318 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.692 -1.207 6.664 1.00 25.00 C ATOM 614 CE1 PHE A 35 0.103 -1.041 9.339 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.545 -1.664 7.683 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.147 -1.585 9.021 1.00 25.00 C ATOM 0 H PHE A 35 3.112 1.139 7.199 1.00 25.00 H new ATOM 0 HA PHE A 35 2.949 -1.570 6.323 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.367 0.948 5.818 1.00 25.00 H new ATOM 0 HB3 PHE A 35 1.031 -0.507 4.900 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.905 -0.131 8.573 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.003 -1.288 5.633 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.420 -0.987 10.370 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.511 -2.077 7.432 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.800 -1.941 9.804 1.00 25.00 H new ATOM 626 N ASP A 36 4.268 0.637 4.312 1.00 25.00 N ATOM 627 CA ASP A 36 4.973 0.771 3.041 1.00 25.00 C ATOM 628 C ASP A 36 6.333 0.073 3.107 1.00 25.00 C ATOM 629 O ASP A 36 6.891 -0.313 2.088 1.00 25.00 O ATOM 630 CB ASP A 36 5.135 2.239 2.663 1.00 25.00 C ATOM 631 CG ASP A 36 4.864 2.480 1.192 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.783 2.066 0.710 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.718 3.060 0.497 1.00 25.00 O ATOM 0 H ASP A 36 4.384 1.421 4.954 1.00 25.00 H new ATOM 0 HA ASP A 36 4.377 0.288 2.266 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.454 2.845 3.261 1.00 25.00 H new ATOM 0 HB3 ASP A 36 6.147 2.566 2.903 1.00 25.00 H new ATOM 638 N PHE A 37 6.841 -0.132 4.314 1.00 25.00 N ATOM 639 CA PHE A 37 8.115 -0.830 4.501 1.00 25.00 C ATOM 640 C PHE A 37 7.966 -2.332 4.240 1.00 25.00 C ATOM 641 O PHE A 37 8.834 -2.945 3.619 1.00 25.00 O ATOM 642 CB PHE A 37 8.653 -0.581 5.915 1.00 25.00 C ATOM 643 CG PHE A 37 10.046 -1.113 6.136 1.00 25.00 C ATOM 644 CD1 PHE A 37 11.117 -0.678 5.331 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.300 -2.045 7.161 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.429 -1.177 5.536 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.609 -2.550 7.376 1.00 25.00 C ATOM 648 CZ PHE A 37 12.672 -2.118 6.557 1.00 25.00 C ATOM 0 H PHE A 37 6.395 0.172 5.180 1.00 25.00 H new ATOM 0 HA PHE A 37 8.829 -0.434 3.778 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.647 0.491 6.113 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.979 -1.042 6.637 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.937 0.044 4.548 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.489 -2.379 7.791 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.241 -0.836 4.910 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.790 -3.264 8.166 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.668 -2.506 6.711 1.00 25.00 H new ATOM 658 N VAL A 38 6.846 -2.922 4.653 1.00 25.00 N ATOM 659 CA VAL A 38 6.590 -4.341 4.351 1.00 25.00 C ATOM 660 C VAL A 38 6.422 -4.504 2.841 1.00 25.00 C ATOM 661 O VAL A 38 6.878 -5.479 2.275 1.00 25.00 O ATOM 662 CB VAL A 38 5.343 -4.945 5.131 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.224 -3.945 5.294 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.786 -6.206 4.429 1.00 25.00 C ATOM 0 H VAL A 38 6.111 -2.457 5.187 1.00 25.00 H new ATOM 0 HA VAL A 38 7.451 -4.911 4.701 1.00 25.00 H new ATOM 0 HB VAL A 38 5.718 -5.213 6.119 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.398 -4.408 5.833 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.585 -3.083 5.855 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.880 -3.620 4.312 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.935 -6.590 4.992 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.467 -5.949 3.419 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.563 -6.969 4.381 1.00 25.00 H new ATOM 674 N LYS A 39 5.830 -3.518 2.181 1.00 25.00 N ATOM 675 CA LYS A 39 5.661 -3.560 0.724 1.00 25.00 C ATOM 676 C LYS A 39 7.016 -3.685 0.031 1.00 25.00 C ATOM 677 O LYS A 39 7.161 -4.441 -0.918 1.00 25.00 O ATOM 678 CB LYS A 39 4.926 -2.289 0.269 1.00 25.00 C ATOM 679 CG LYS A 39 4.585 -2.172 -1.240 1.00 25.00 C ATOM 680 CD LYS A 39 5.736 -1.653 -2.155 1.00 25.00 C ATOM 681 CE LYS A 39 6.465 -0.395 -1.626 1.00 25.00 C ATOM 682 NZ LYS A 39 5.574 0.780 -1.366 1.00 25.00 N ATOM 0 H LYS A 39 5.457 -2.678 2.625 1.00 25.00 H new ATOM 0 HA LYS A 39 5.069 -4.433 0.450 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.996 -2.216 0.833 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.535 -1.428 0.546 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.273 -3.152 -1.600 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.730 -1.505 -1.350 1.00 25.00 H new ATOM 0 HD2 LYS A 39 6.466 -2.452 -2.285 1.00 25.00 H new ATOM 0 HD3 LYS A 39 5.327 -1.431 -3.141 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.983 -0.653 -0.702 1.00 25.00 H new ATOM 0 HE3 LYS A 39 7.228 -0.103 -2.348 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 6.093 1.494 -0.815 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 5.272 1.193 -2.271 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 4.738 0.470 -0.831 1.00 25.00 H new ATOM 696 N ASP A 40 7.994 -2.923 0.498 1.00 25.00 N ATOM 697 CA ASP A 40 9.320 -2.920 -0.123 1.00 25.00 C ATOM 698 C ASP A 40 10.118 -4.179 0.209 1.00 25.00 C ATOM 699 O ASP A 40 10.700 -4.802 -0.671 1.00 25.00 O ATOM 700 CB ASP A 40 10.111 -1.690 0.341 1.00 25.00 C ATOM 701 CG ASP A 40 10.397 -0.713 -0.795 1.00 25.00 C ATOM 702 OD1 ASP A 40 9.541 -0.565 -1.701 1.00 25.00 O ATOM 703 OD2 ASP A 40 11.457 -0.059 -0.758 1.00 25.00 O ATOM 0 H ASP A 40 7.900 -2.300 1.300 1.00 25.00 H new ATOM 0 HA ASP A 40 9.169 -2.892 -1.202 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.552 -1.177 1.124 1.00 25.00 H new ATOM 0 HB3 ASP A 40 11.053 -2.014 0.782 1.00 25.00 H new ATOM 708 N THR A 41 10.157 -4.541 1.485 1.00 25.00 N ATOM 709 CA THR A 41 10.956 -5.689 1.934 1.00 25.00 C ATOM 710 C THR A 41 10.344 -7.017 1.480 1.00 25.00 C ATOM 711 O THR A 41 11.048 -7.977 1.183 1.00 25.00 O ATOM 712 CB THR A 41 11.080 -5.702 3.480 1.00 25.00 C ATOM 713 OG1 THR A 41 11.328 -4.371 3.949 1.00 25.00 O ATOM 714 CG2 THR A 41 12.241 -6.579 3.933 1.00 25.00 C ATOM 0 H THR A 41 9.649 -4.063 2.229 1.00 25.00 H new ATOM 0 HA THR A 41 11.943 -5.581 1.483 1.00 25.00 H new ATOM 0 HB THR A 41 10.148 -6.096 3.886 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.487 -3.868 3.965 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.302 -6.568 5.021 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.081 -7.601 3.589 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.171 -6.196 3.513 1.00 25.00 H new ATOM 722 N CYS A 42 9.023 -7.056 1.416 1.00 25.00 N ATOM 723 CA CYS A 42 8.289 -8.241 0.989 1.00 25.00 C ATOM 724 C CYS A 42 7.420 -7.902 -0.216 1.00 25.00 C ATOM 725 O CYS A 42 6.209 -7.730 -0.073 1.00 25.00 O ATOM 726 CB CYS A 42 7.389 -8.731 2.127 1.00 25.00 C ATOM 727 SG CYS A 42 8.283 -9.104 3.630 1.00 25.00 S ATOM 0 H CYS A 42 8.426 -6.266 1.659 1.00 25.00 H new ATOM 0 HA CYS A 42 9.002 -9.021 0.722 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.638 -7.970 2.339 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.855 -9.623 1.800 1.00 25.00 H new ATOM 0 HG CYS A 42 9.453 -9.586 3.331 1.00 25.00 H new ATOM 733 N PRO A 43 8.008 -7.828 -1.423 1.00 25.00 N ATOM 734 CA PRO A 43 7.187 -7.451 -2.583 1.00 25.00 C ATOM 735 C PRO A 43 6.184 -8.531 -2.966 1.00 25.00 C ATOM 736 O PRO A 43 5.201 -8.276 -3.655 1.00 25.00 O ATOM 737 CB PRO A 43 8.232 -7.228 -3.679 1.00 25.00 C ATOM 738 CG PRO A 43 9.343 -8.150 -3.314 1.00 25.00 C ATOM 739 CD PRO A 43 9.409 -8.079 -1.809 1.00 25.00 C ATOM 0 HA PRO A 43 6.565 -6.576 -2.392 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.830 -7.459 -4.666 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.567 -6.191 -3.706 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.145 -9.166 -3.656 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.284 -7.839 -3.768 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.786 -9.007 -1.378 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.069 -7.280 -1.472 1.00 25.00 H new ATOM 747 N TRP A 44 6.417 -9.735 -2.473 1.00 25.00 N ATOM 748 CA TRP A 44 5.524 -10.861 -2.691 1.00 25.00 C ATOM 749 C TRP A 44 4.313 -10.839 -1.754 1.00 25.00 C ATOM 750 O TRP A 44 3.302 -11.458 -2.047 1.00 25.00 O ATOM 751 CB TRP A 44 6.311 -12.153 -2.508 1.00 25.00 C ATOM 752 CG TRP A 44 7.398 -11.995 -1.498 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.249 -11.849 -0.171 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.819 -11.931 -1.735 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.449 -11.713 0.465 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.446 -11.748 -0.467 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.626 -11.997 -2.889 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.841 -11.627 -0.325 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.035 -11.881 -2.751 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.624 -11.691 -1.464 1.00 25.00 C ATOM 0 H TRP A 44 7.235 -9.961 -1.907 1.00 25.00 H new ATOM 0 HA TRP A 44 5.133 -10.793 -3.706 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.636 -12.950 -2.195 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.741 -12.456 -3.462 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.294 -11.840 0.333 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.579 -11.603 1.471 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.180 -12.134 -3.863 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.289 -11.488 0.648 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.666 -11.937 -3.626 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.696 -11.596 -1.378 1.00 25.00 H new ATOM 771 N PHE A 45 4.386 -10.110 -0.648 1.00 25.00 N ATOM 772 CA PHE A 45 3.249 -10.058 0.281 1.00 25.00 C ATOM 773 C PHE A 45 2.013 -9.395 -0.359 1.00 25.00 C ATOM 774 O PHE A 45 0.933 -9.994 -0.364 1.00 25.00 O ATOM 775 CB PHE A 45 3.630 -9.359 1.596 1.00 25.00 C ATOM 776 CG PHE A 45 2.521 -9.361 2.619 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.385 -10.431 3.526 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.596 -8.299 2.671 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.333 -10.443 4.480 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.538 -8.307 3.612 1.00 25.00 C ATOM 781 CZ PHE A 45 0.408 -9.377 4.519 1.00 25.00 C ATOM 0 H PHE A 45 5.197 -9.557 -0.370 1.00 25.00 H new ATOM 0 HA PHE A 45 2.982 -11.089 0.514 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.506 -9.851 2.020 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.915 -8.329 1.382 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.088 -11.250 3.495 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.695 -7.470 1.986 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.241 -11.265 5.174 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.170 -7.492 3.634 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.395 -9.382 5.241 1.00 25.00 H new ATOM 791 N PRO A 46 2.150 -8.183 -0.953 1.00 25.00 N ATOM 792 CA PRO A 46 0.923 -7.694 -1.590 1.00 25.00 C ATOM 793 C PRO A 46 0.538 -8.462 -2.857 1.00 25.00 C ATOM 794 O PRO A 46 -0.603 -8.400 -3.285 1.00 25.00 O ATOM 795 CB PRO A 46 1.263 -6.236 -1.909 1.00 25.00 C ATOM 796 CG PRO A 46 2.710 -6.249 -2.139 1.00 25.00 C ATOM 797 CD PRO A 46 3.243 -7.199 -1.110 1.00 25.00 C ATOM 0 HA PRO A 46 0.055 -7.820 -0.943 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.723 -5.884 -2.788 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.996 -5.575 -1.085 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.949 -6.582 -3.149 1.00 25.00 H new ATOM 0 HG3 PRO A 46 3.140 -5.254 -2.022 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.166 -7.674 -1.442 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.465 -6.692 -0.171 1.00 25.00 H new ATOM 805 N GLN A 47 1.478 -9.202 -3.436 1.00 25.00 N ATOM 806 CA GLN A 47 1.192 -10.004 -4.625 1.00 25.00 C ATOM 807 C GLN A 47 0.300 -11.199 -4.277 1.00 25.00 C ATOM 808 O GLN A 47 -0.605 -11.538 -5.028 1.00 25.00 O ATOM 809 CB GLN A 47 2.497 -10.494 -5.256 1.00 25.00 C ATOM 810 CG GLN A 47 2.317 -11.052 -6.659 1.00 25.00 C ATOM 811 CD GLN A 47 3.632 -11.427 -7.297 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.558 -10.633 -7.344 1.00 25.00 O ATOM 813 NE2 GLN A 47 3.717 -12.629 -7.801 1.00 25.00 N ATOM 0 H GLN A 47 2.441 -9.264 -3.105 1.00 25.00 H new ATOM 0 HA GLN A 47 0.661 -9.375 -5.340 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.208 -9.669 -5.290 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.933 -11.264 -4.620 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.671 -11.929 -6.619 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.812 -10.312 -7.280 1.00 25.00 H new ATOM 0 HE21 GLN A 47 2.921 -13.264 -7.742 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.579 -12.932 -8.253 1.00 25.00 H new ATOM 822 N GLU A 48 0.544 -11.824 -3.131 1.00 25.00 N ATOM 823 CA GLU A 48 -0.306 -12.930 -2.675 1.00 25.00 C ATOM 824 C GLU A 48 -1.648 -12.367 -2.205 1.00 25.00 C ATOM 825 O GLU A 48 -2.674 -13.044 -2.257 1.00 25.00 O ATOM 826 CB GLU A 48 0.361 -13.704 -1.531 1.00 25.00 C ATOM 827 CG GLU A 48 1.593 -14.504 -1.963 1.00 25.00 C ATOM 828 CD GLU A 48 2.086 -15.448 -0.872 1.00 25.00 C ATOM 829 OE1 GLU A 48 2.245 -15.008 0.292 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.231 -16.656 -1.149 1.00 25.00 O ATOM 0 H GLU A 48 1.313 -11.591 -2.503 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.459 -13.620 -3.505 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.651 -13.001 -0.750 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.368 -14.385 -1.092 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.354 -15.080 -2.857 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.394 -13.815 -2.233 1.00 25.00 H new ATOM 837 N GLY A 49 -1.622 -11.123 -1.741 1.00 25.00 N ATOM 838 CA GLY A 49 -2.834 -10.414 -1.351 1.00 25.00 C ATOM 839 C GLY A 49 -3.624 -11.057 -0.230 1.00 25.00 C ATOM 840 O GLY A 49 -4.795 -10.766 -0.056 1.00 25.00 O ATOM 0 H GLY A 49 -0.766 -10.581 -1.625 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.563 -9.402 -1.049 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.480 -10.324 -2.224 1.00 25.00 H new ATOM 844 N THR A 50 -2.993 -11.955 0.506 1.00 25.00 N ATOM 845 CA THR A 50 -3.666 -12.734 1.542 1.00 25.00 C ATOM 846 C THR A 50 -3.094 -12.340 2.895 1.00 25.00 C ATOM 847 O THR A 50 -1.886 -12.153 3.032 1.00 25.00 O ATOM 848 CB THR A 50 -3.464 -14.239 1.277 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.964 -14.566 -0.023 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.193 -15.099 2.293 1.00 25.00 C ATOM 0 H THR A 50 -2.001 -12.168 0.406 1.00 25.00 H new ATOM 0 HA THR A 50 -4.737 -12.531 1.533 1.00 25.00 H new ATOM 0 HB THR A 50 -2.395 -14.440 1.352 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.424 -14.114 -0.704 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.023 -16.152 2.068 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.819 -14.877 3.293 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.261 -14.887 2.250 1.00 25.00 H new ATOM 858 N ILE A 51 -3.958 -12.151 3.881 1.00 25.00 N ATOM 859 CA ILE A 51 -3.550 -11.618 5.176 1.00 25.00 C ATOM 860 C ILE A 51 -4.039 -12.510 6.307 1.00 25.00 C ATOM 861 O ILE A 51 -5.199 -12.509 6.698 1.00 25.00 O ATOM 862 CB ILE A 51 -4.066 -10.165 5.335 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.494 -9.307 4.187 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.651 -9.557 6.709 1.00 25.00 C ATOM 865 CD1 ILE A 51 -4.050 -7.963 4.103 1.00 25.00 C ATOM 0 H ILE A 51 -4.954 -12.360 3.810 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.461 -11.601 5.225 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.155 -10.175 5.296 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.413 -9.233 4.309 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.673 -9.820 3.242 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.030 -8.538 6.785 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.068 -10.161 7.515 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.564 -9.547 6.789 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.592 -7.431 3.269 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -5.127 -8.024 3.947 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.848 -7.427 5.030 1.00 25.00 H new ATOM 877 N ASP A 52 -3.100 -13.264 6.844 1.00 25.00 N ATOM 878 CA ASP A 52 -3.339 -14.132 7.982 1.00 25.00 C ATOM 879 C ASP A 52 -2.029 -14.137 8.723 1.00 25.00 C ATOM 880 O ASP A 52 -0.998 -13.794 8.148 1.00 25.00 O ATOM 881 CB ASP A 52 -3.674 -15.540 7.524 1.00 25.00 C ATOM 882 CG ASP A 52 -3.990 -16.467 8.667 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.380 -16.019 9.764 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.713 -17.664 8.498 1.00 25.00 O ATOM 0 H ASP A 52 -2.140 -13.292 6.500 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.175 -13.790 8.592 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.527 -15.503 6.846 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.834 -15.942 6.958 1.00 25.00 H new ATOM 889 N ILE A 53 -2.045 -14.545 9.976 1.00 25.00 N ATOM 890 CA ILE A 53 -0.850 -14.544 10.800 1.00 25.00 C ATOM 891 C ILE A 53 0.204 -15.482 10.220 1.00 25.00 C ATOM 892 O ILE A 53 1.396 -15.223 10.320 1.00 25.00 O ATOM 893 CB ILE A 53 -1.220 -14.901 12.269 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.056 -14.602 13.235 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.662 -16.377 12.416 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.337 -13.129 13.342 1.00 25.00 C ATOM 0 H ILE A 53 -2.881 -14.885 10.451 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.413 -13.546 10.805 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.066 -14.267 12.535 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.326 -14.963 14.227 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.816 -15.172 12.915 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.910 -16.580 13.458 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.537 -16.559 11.792 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.850 -17.033 12.102 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.163 -13.023 14.045 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.644 -12.762 12.363 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.516 -12.550 13.695 1.00 25.00 H new ATOM 908 N LYS A 54 -0.239 -16.531 9.536 1.00 25.00 N ATOM 909 CA LYS A 54 0.675 -17.486 8.906 1.00 25.00 C ATOM 910 C LYS A 54 1.526 -16.790 7.843 1.00 25.00 C ATOM 911 O LYS A 54 2.697 -17.111 7.659 1.00 25.00 O ATOM 912 CB LYS A 54 -0.126 -18.627 8.262 1.00 25.00 C ATOM 913 CG LYS A 54 -1.050 -19.377 9.235 1.00 25.00 C ATOM 914 CD LYS A 54 -1.852 -20.465 8.504 1.00 25.00 C ATOM 915 CE LYS A 54 -3.039 -20.972 9.348 1.00 25.00 C ATOM 916 NZ LYS A 54 -4.341 -20.278 8.997 1.00 25.00 N ATOM 0 H LYS A 54 -1.227 -16.745 9.402 1.00 25.00 H new ATOM 0 HA LYS A 54 1.335 -17.894 9.672 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.727 -18.220 7.449 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.570 -19.339 7.818 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.457 -19.829 10.030 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.734 -18.673 9.709 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -2.222 -20.069 7.558 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.195 -21.301 8.264 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -3.153 -22.046 9.201 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.822 -20.816 10.405 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.886 -20.102 9.865 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -4.136 -19.373 8.527 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -4.895 -20.882 8.357 1.00 25.00 H new ATOM 930 N ARG A 55 0.923 -15.843 7.138 1.00 25.00 N ATOM 931 CA ARG A 55 1.619 -15.078 6.103 1.00 25.00 C ATOM 932 C ARG A 55 2.358 -13.881 6.698 1.00 25.00 C ATOM 933 O ARG A 55 3.468 -13.571 6.300 1.00 25.00 O ATOM 934 CB ARG A 55 0.613 -14.632 5.042 1.00 25.00 C ATOM 935 CG ARG A 55 1.124 -14.802 3.616 1.00 25.00 C ATOM 936 CD ARG A 55 -0.036 -14.852 2.636 1.00 25.00 C ATOM 937 NE ARG A 55 -0.769 -16.133 2.666 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.468 -17.208 1.944 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.559 -17.253 1.143 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.229 -18.263 2.030 1.00 25.00 N ATOM 0 H ARG A 55 -0.055 -15.582 7.263 1.00 25.00 H new ATOM 0 HA ARG A 55 2.370 -15.716 5.638 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.307 -15.204 5.161 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.361 -13.584 5.208 1.00 25.00 H new ATOM 0 HG2 ARG A 55 1.788 -13.976 3.361 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.711 -15.717 3.541 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.728 -14.040 2.860 1.00 25.00 H new ATOM 0 HD3 ARG A 55 0.341 -14.680 1.628 1.00 25.00 H new ATOM 0 HE ARG A 55 -1.572 -16.199 3.292 1.00 25.00 H new ATOM 0 HH11 ARG A 55 1.170 -16.441 1.051 1.00 25.00 H new ATOM 0 HH12 ARG A 55 0.752 -18.100 0.608 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -2.043 -18.256 2.645 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -1.011 -19.095 1.482 1.00 25.00 H new ATOM 954 N TRP A 56 1.745 -13.235 7.680 1.00 25.00 N ATOM 955 CA TRP A 56 2.336 -12.071 8.346 1.00 25.00 C ATOM 956 C TRP A 56 3.643 -12.417 9.062 1.00 25.00 C ATOM 957 O TRP A 56 4.534 -11.583 9.169 1.00 25.00 O ATOM 958 CB TRP A 56 1.334 -11.483 9.346 1.00 25.00 C ATOM 959 CG TRP A 56 1.775 -10.168 9.938 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.039 -9.899 11.243 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.028 -8.932 9.238 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.428 -8.605 11.423 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.442 -7.974 10.210 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.958 -8.538 7.887 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.792 -6.652 9.868 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.312 -7.209 7.538 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.724 -6.280 8.538 1.00 25.00 C ATOM 0 H TRP A 56 0.828 -13.498 8.040 1.00 25.00 H new ATOM 0 HA TRP A 56 2.570 -11.335 7.577 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.375 -11.344 8.848 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.174 -12.200 10.152 1.00 25.00 H new ATOM 0 HD1 TRP A 56 1.951 -10.622 12.041 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.669 -8.177 12.317 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.640 -9.237 7.128 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.105 -5.948 10.625 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.269 -6.898 6.505 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.987 -5.272 8.253 1.00 25.00 H new ATOM 978 N ARG A 57 3.778 -13.657 9.514 1.00 25.00 N ATOM 979 CA ARG A 57 5.019 -14.104 10.160 1.00 25.00 C ATOM 980 C ARG A 57 6.220 -13.966 9.234 1.00 25.00 C ATOM 981 O ARG A 57 7.242 -13.440 9.642 1.00 25.00 O ATOM 982 CB ARG A 57 4.864 -15.535 10.666 1.00 25.00 C ATOM 983 CG ARG A 57 4.171 -15.573 12.028 1.00 25.00 C ATOM 984 CD ARG A 57 3.420 -16.870 12.249 1.00 25.00 C ATOM 985 NE ARG A 57 2.743 -16.875 13.559 1.00 25.00 N ATOM 986 CZ ARG A 57 1.974 -17.854 14.026 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.774 -18.965 13.360 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.390 -17.707 15.183 1.00 25.00 N ATOM 0 H ARG A 57 3.053 -14.371 9.449 1.00 25.00 H new ATOM 0 HA ARG A 57 5.208 -13.455 11.016 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.288 -16.117 9.946 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.845 -16.004 10.742 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.914 -15.446 12.816 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.478 -14.735 12.105 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.685 -17.008 11.456 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.113 -17.709 12.191 1.00 25.00 H new ATOM 0 HE ARG A 57 2.876 -16.059 14.157 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.215 -19.101 12.451 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.177 -19.694 13.751 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.526 -16.849 15.718 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.797 -18.450 15.553 1.00 25.00 H new ATOM 1002 N ARG A 58 6.048 -14.321 7.969 1.00 25.00 N ATOM 1003 CA ARG A 58 7.119 -14.176 6.968 1.00 25.00 C ATOM 1004 C ARG A 58 7.596 -12.744 6.786 1.00 25.00 C ATOM 1005 O ARG A 58 8.722 -12.519 6.394 1.00 25.00 O ATOM 1006 CB ARG A 58 6.669 -14.717 5.615 1.00 25.00 C ATOM 1007 CG ARG A 58 6.657 -16.227 5.554 1.00 25.00 C ATOM 1008 CD ARG A 58 6.105 -16.707 4.220 1.00 25.00 C ATOM 1009 NE ARG A 58 6.330 -18.150 4.028 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.584 -19.124 4.538 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.545 -18.895 5.306 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.899 -20.362 4.271 1.00 25.00 N ATOM 0 H ARG A 58 5.181 -14.712 7.602 1.00 25.00 H new ATOM 0 HA ARG A 58 7.958 -14.755 7.356 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.669 -14.343 5.395 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.331 -14.333 4.839 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.668 -16.610 5.694 1.00 25.00 H new ATOM 0 HG3 ARG A 58 6.051 -16.624 6.368 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.037 -16.495 4.170 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.578 -16.153 3.409 1.00 25.00 H new ATOM 0 HE ARG A 58 7.127 -18.425 3.454 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.281 -17.937 5.534 1.00 25.00 H new ATOM 0 HH12 ARG A 58 4.002 -19.675 5.675 1.00 25.00 H new ATOM 0 HH21 ARG A 58 6.705 -20.567 3.681 1.00 25.00 H new ATOM 0 HH22 ARG A 58 5.339 -21.124 4.653 1.00 25.00 H new ATOM 1026 N VAL A 59 6.752 -11.771 7.084 1.00 25.00 N ATOM 1027 CA VAL A 59 7.152 -10.370 6.972 1.00 25.00 C ATOM 1028 C VAL A 59 8.169 -10.043 8.052 1.00 25.00 C ATOM 1029 O VAL A 59 9.152 -9.347 7.818 1.00 25.00 O ATOM 1030 CB VAL A 59 5.934 -9.436 7.127 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.346 -7.984 7.028 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.897 -9.771 6.067 1.00 25.00 C ATOM 0 H VAL A 59 5.794 -11.918 7.403 1.00 25.00 H new ATOM 0 HA VAL A 59 7.589 -10.217 5.985 1.00 25.00 H new ATOM 0 HB VAL A 59 5.499 -9.590 8.115 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.468 -7.348 7.141 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.064 -7.755 7.816 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.804 -7.801 6.056 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.037 -9.110 6.178 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.332 -9.637 5.077 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.577 -10.806 6.185 1.00 25.00 H new ATOM 1042 N GLY A 60 7.932 -10.575 9.239 1.00 25.00 N ATOM 1043 CA GLY A 60 8.831 -10.338 10.346 1.00 25.00 C ATOM 1044 C GLY A 60 10.129 -11.076 10.126 1.00 25.00 C ATOM 1045 O GLY A 60 11.201 -10.557 10.423 1.00 25.00 O ATOM 0 H GLY A 60 7.131 -11.168 9.456 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.023 -9.270 10.446 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.369 -10.668 11.277 1.00 25.00 H new ATOM 1049 N ASP A 61 10.027 -12.265 9.548 1.00 25.00 N ATOM 1050 CA ASP A 61 11.199 -13.076 9.221 1.00 25.00 C ATOM 1051 C ASP A 61 12.060 -12.308 8.209 1.00 25.00 C ATOM 1052 O ASP A 61 13.272 -12.228 8.340 1.00 25.00 O ATOM 1053 CB ASP A 61 10.771 -14.429 8.620 1.00 25.00 C ATOM 1054 CG ASP A 61 9.872 -15.246 9.558 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.986 -15.111 10.795 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.009 -16.002 9.040 1.00 25.00 O ATOM 0 H ASP A 61 9.138 -12.695 9.293 1.00 25.00 H new ATOM 0 HA ASP A 61 11.769 -13.271 10.129 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.243 -14.253 7.683 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.661 -15.011 8.380 1.00 25.00 H new ATOM 1061 N CYS A 62 11.408 -11.682 7.240 1.00 25.00 N ATOM 1062 CA CYS A 62 12.099 -10.887 6.222 1.00 25.00 C ATOM 1063 C CYS A 62 12.836 -9.693 6.830 1.00 25.00 C ATOM 1064 O CYS A 62 13.971 -9.391 6.455 1.00 25.00 O ATOM 1065 CB CYS A 62 11.080 -10.373 5.204 1.00 25.00 C ATOM 1066 SG CYS A 62 11.627 -10.479 3.486 1.00 25.00 S ATOM 0 H CYS A 62 10.394 -11.707 7.133 1.00 25.00 H new ATOM 0 HA CYS A 62 12.836 -11.532 5.743 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.156 -10.940 5.314 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.846 -9.334 5.435 1.00 25.00 H new ATOM 0 HG CYS A 62 11.310 -9.384 2.861 1.00 25.00 H new ATOM 1072 N PHE A 63 12.203 -9.011 7.779 1.00 25.00 N ATOM 1073 CA PHE A 63 12.859 -7.880 8.435 1.00 25.00 C ATOM 1074 C PHE A 63 14.063 -8.387 9.211 1.00 25.00 C ATOM 1075 O PHE A 63 15.088 -7.724 9.261 1.00 25.00 O ATOM 1076 CB PHE A 63 11.936 -7.162 9.431 1.00 25.00 C ATOM 1077 CG PHE A 63 10.720 -6.504 8.814 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.752 -5.951 7.515 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.531 -6.401 9.563 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.610 -5.311 6.970 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.389 -5.750 9.032 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.432 -5.207 7.732 1.00 25.00 C ATOM 0 H PHE A 63 11.259 -9.213 8.107 1.00 25.00 H new ATOM 0 HA PHE A 63 13.142 -7.176 7.652 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.602 -7.882 10.178 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.514 -6.402 9.957 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.657 -6.016 6.930 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.489 -6.824 10.556 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.645 -4.904 5.970 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.488 -5.670 9.622 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.564 -4.713 7.322 1.00 25.00 H new ATOM 1092 N GLN A 64 13.925 -9.551 9.830 1.00 25.00 N ATOM 1093 CA GLN A 64 14.991 -10.132 10.644 1.00 25.00 C ATOM 1094 C GLN A 64 16.184 -10.507 9.777 1.00 25.00 C ATOM 1095 O GLN A 64 17.327 -10.254 10.146 1.00 25.00 O ATOM 1096 CB GLN A 64 14.462 -11.371 11.371 1.00 25.00 C ATOM 1097 CG GLN A 64 15.448 -11.999 12.338 1.00 25.00 C ATOM 1098 CD GLN A 64 14.884 -13.243 12.983 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.461 -13.222 14.129 1.00 25.00 O ATOM 1100 NE2 GLN A 64 14.863 -14.324 12.249 1.00 25.00 N ATOM 0 H GLN A 64 13.078 -10.118 9.785 1.00 25.00 H new ATOM 0 HA GLN A 64 15.318 -9.393 11.376 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.559 -11.099 11.918 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.173 -12.117 10.630 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.368 -12.249 11.809 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.711 -11.276 13.110 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.226 -14.301 11.296 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.484 -15.191 12.629 1.00 25.00 H new ATOM 1109 N ASP A 65 15.920 -11.092 8.622 1.00 25.00 N ATOM 1110 CA ASP A 65 16.986 -11.490 7.707 1.00 25.00 C ATOM 1111 C ASP A 65 17.770 -10.264 7.250 1.00 25.00 C ATOM 1112 O ASP A 65 19.003 -10.239 7.289 1.00 25.00 O ATOM 1113 CB ASP A 65 16.408 -12.227 6.496 1.00 25.00 C ATOM 1114 CG ASP A 65 15.884 -13.613 6.852 1.00 25.00 C ATOM 1115 OD1 ASP A 65 16.309 -14.168 7.894 1.00 25.00 O ATOM 1116 OD2 ASP A 65 15.063 -14.154 6.081 1.00 25.00 O ATOM 0 H ASP A 65 14.979 -11.304 8.292 1.00 25.00 H new ATOM 0 HA ASP A 65 17.660 -12.166 8.234 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.599 -11.636 6.067 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.177 -12.319 5.729 1.00 25.00 H new ATOM 1121 N TYR A 66 17.055 -9.219 6.863 1.00 25.00 N ATOM 1122 CA TYR A 66 17.704 -7.989 6.419 1.00 25.00 C ATOM 1123 C TYR A 66 18.469 -7.340 7.584 1.00 25.00 C ATOM 1124 O TYR A 66 19.583 -6.839 7.419 1.00 25.00 O ATOM 1125 CB TYR A 66 16.651 -7.030 5.853 1.00 25.00 C ATOM 1126 CG TYR A 66 17.179 -6.105 4.768 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.229 -5.191 5.021 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.635 -6.151 3.467 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.727 -4.352 3.991 1.00 25.00 C ATOM 1130 CE2 TYR A 66 17.126 -5.303 2.439 1.00 25.00 C ATOM 1131 CZ TYR A 66 18.168 -4.414 2.713 1.00 25.00 C ATOM 1132 OH TYR A 66 18.638 -3.597 1.715 1.00 25.00 O ATOM 0 H TYR A 66 16.035 -9.194 6.846 1.00 25.00 H new ATOM 0 HA TYR A 66 18.423 -8.222 5.634 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.823 -7.613 5.449 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.249 -6.427 6.667 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.657 -5.131 6.011 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.833 -6.841 3.250 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.537 -3.667 4.195 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.695 -5.345 1.449 1.00 25.00 H new ATOM 0 HH TYR A 66 18.140 -3.770 0.889 1.00 25.00 H new ATOM 1142 N PHE A 67 17.883 -7.382 8.773 1.00 25.00 N ATOM 1143 CA PHE A 67 18.512 -6.812 9.963 1.00 25.00 C ATOM 1144 C PHE A 67 19.783 -7.559 10.358 1.00 25.00 C ATOM 1145 O PHE A 67 20.744 -6.939 10.776 1.00 25.00 O ATOM 1146 CB PHE A 67 17.520 -6.840 11.127 1.00 25.00 C ATOM 1147 CG PHE A 67 18.014 -6.156 12.374 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.823 -6.844 13.301 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.652 -4.825 12.644 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.276 -6.204 14.480 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.087 -4.182 13.820 1.00 25.00 C ATOM 1152 CZ PHE A 67 18.906 -4.870 14.739 1.00 25.00 C ATOM 0 H PHE A 67 16.971 -7.805 8.942 1.00 25.00 H new ATOM 0 HA PHE A 67 18.793 -5.786 9.728 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.591 -6.366 10.810 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.284 -7.877 11.364 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.100 -7.870 13.110 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.032 -4.288 11.941 1.00 25.00 H new ATOM 0 HE1 PHE A 67 19.904 -6.737 15.179 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.793 -3.162 14.018 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.248 -4.376 15.637 1.00 25.00 H new ATOM 1162 N ASN A 68 19.814 -8.878 10.230 1.00 25.00 N ATOM 1163 CA ASN A 68 21.018 -9.615 10.620 1.00 25.00 C ATOM 1164 C ASN A 68 22.133 -9.355 9.611 1.00 25.00 C ATOM 1165 O ASN A 68 23.304 -9.306 9.966 1.00 25.00 O ATOM 1166 CB ASN A 68 20.728 -11.121 10.822 1.00 25.00 C ATOM 1167 CG ASN A 68 20.927 -11.962 9.566 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.020 -12.098 9.053 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.881 -12.597 9.135 1.00 25.00 N ATOM 0 H ASN A 68 19.049 -9.449 9.872 1.00 25.00 H new ATOM 0 HA ASN A 68 21.357 -9.250 11.589 1.00 25.00 H new ATOM 0 HB2 ASN A 68 21.377 -11.503 11.610 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.701 -11.240 11.168 1.00 25.00 H new ATOM 0 HD21 ASN A 68 19.962 -13.234 8.342 1.00 25.00 H new ATOM 0 HD22 ASN A 68 18.978 -12.460 9.589 1.00 25.00 H new ATOM 1176 N THR A 69 21.744 -9.125 8.366 1.00 25.00 N ATOM 1177 CA THR A 69 22.700 -8.837 7.302 1.00 25.00 C ATOM 1178 C THR A 69 23.358 -7.461 7.461 1.00 25.00 C ATOM 1179 O THR A 69 24.552 -7.309 7.212 1.00 25.00 O ATOM 1180 CB THR A 69 21.995 -8.877 5.912 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.314 -10.125 5.753 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.991 -8.752 4.767 1.00 25.00 C ATOM 0 H THR A 69 20.770 -9.132 8.065 1.00 25.00 H new ATOM 0 HA THR A 69 23.472 -9.604 7.369 1.00 25.00 H new ATOM 0 HB THR A 69 21.302 -8.036 5.881 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.507 -10.130 6.309 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.459 -8.784 3.816 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.526 -7.806 4.851 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.703 -9.576 4.812 1.00 25.00 H new ATOM 1190 N PHE A 70 22.569 -6.446 7.803 1.00 25.00 N ATOM 1191 CA PHE A 70 23.063 -5.062 7.776 1.00 25.00 C ATOM 1192 C PHE A 70 22.889 -4.219 9.052 1.00 25.00 C ATOM 1193 O PHE A 70 23.213 -3.030 9.069 1.00 25.00 O ATOM 1194 CB PHE A 70 22.415 -4.356 6.595 1.00 25.00 C ATOM 1195 CG PHE A 70 23.408 -3.829 5.599 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.121 -2.641 5.856 1.00 25.00 C ATOM 1197 CD2 PHE A 70 23.652 -4.526 4.402 1.00 25.00 C ATOM 1198 CE1 PHE A 70 25.073 -2.150 4.927 1.00 25.00 C ATOM 1199 CE2 PHE A 70 24.601 -4.047 3.464 1.00 25.00 C ATOM 1200 CZ PHE A 70 25.312 -2.856 3.729 1.00 25.00 C ATOM 0 H PHE A 70 21.598 -6.547 8.099 1.00 25.00 H new ATOM 0 HA PHE A 70 24.146 -5.149 7.688 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.740 -5.049 6.093 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.807 -3.530 6.964 1.00 25.00 H new ATOM 0 HD1 PHE A 70 23.940 -2.098 6.772 1.00 25.00 H new ATOM 0 HD2 PHE A 70 23.110 -5.437 4.195 1.00 25.00 H new ATOM 0 HE1 PHE A 70 25.613 -1.239 5.136 1.00 25.00 H new ATOM 0 HE2 PHE A 70 24.780 -4.592 2.549 1.00 25.00 H new ATOM 0 HZ PHE A 70 26.036 -2.487 3.017 1.00 25.00 H new ATOM 1210 N GLY A 71 22.415 -4.825 10.125 1.00 25.00 N ATOM 1211 CA GLY A 71 22.331 -4.136 11.405 1.00 25.00 C ATOM 1212 C GLY A 71 21.212 -3.116 11.570 1.00 25.00 C ATOM 1213 O GLY A 71 20.398 -2.887 10.659 1.00 25.00 O ATOM 0 H GLY A 71 22.083 -5.789 10.139 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.223 -4.887 12.187 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.280 -3.629 11.579 1.00 25.00 H new ATOM 1217 N PRO A 72 21.153 -2.457 12.747 1.00 25.00 N ATOM 1218 CA PRO A 72 20.102 -1.477 13.048 1.00 25.00 C ATOM 1219 C PRO A 72 20.238 -0.159 12.298 1.00 25.00 C ATOM 1220 O PRO A 72 19.317 0.654 12.283 1.00 25.00 O ATOM 1221 CB PRO A 72 20.265 -1.258 14.554 1.00 25.00 C ATOM 1222 CG PRO A 72 21.706 -1.458 14.790 1.00 25.00 C ATOM 1223 CD PRO A 72 22.071 -2.617 13.893 1.00 25.00 C ATOM 0 HA PRO A 72 19.123 -1.844 12.740 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.947 -0.258 14.848 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.665 -1.965 15.127 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.278 -0.565 14.539 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.911 -1.684 15.836 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.115 -2.573 13.582 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.928 -3.575 14.394 1.00 25.00 H new ATOM 1231 N GLU A 73 21.389 0.053 11.683 1.00 25.00 N ATOM 1232 CA GLU A 73 21.641 1.270 10.923 1.00 25.00 C ATOM 1233 C GLU A 73 20.849 1.242 9.621 1.00 25.00 C ATOM 1234 O GLU A 73 20.440 2.279 9.101 1.00 25.00 O ATOM 1235 CB GLU A 73 23.136 1.382 10.618 1.00 25.00 C ATOM 1236 CG GLU A 73 24.004 1.398 11.873 1.00 25.00 C ATOM 1237 CD GLU A 73 25.471 1.642 11.563 1.00 25.00 C ATOM 1238 OE1 GLU A 73 26.011 0.968 10.661 1.00 25.00 O ATOM 1239 OE2 GLU A 73 26.086 2.498 12.232 1.00 25.00 O ATOM 0 H GLU A 73 22.169 -0.604 11.694 1.00 25.00 H new ATOM 0 HA GLU A 73 21.327 2.132 11.511 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.436 0.545 9.987 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.317 2.293 10.047 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.645 2.174 12.549 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.900 0.447 12.395 1.00 25.00 H new ATOM 1246 N LYS A 74 20.623 0.041 9.102 1.00 25.00 N ATOM 1247 CA LYS A 74 19.902 -0.124 7.840 1.00 25.00 C ATOM 1248 C LYS A 74 18.430 -0.459 8.044 1.00 25.00 C ATOM 1249 O LYS A 74 17.579 0.026 7.297 1.00 25.00 O ATOM 1250 CB LYS A 74 20.582 -1.212 7.016 1.00 25.00 C ATOM 1251 CG LYS A 74 20.782 -0.872 5.538 1.00 25.00 C ATOM 1252 CD LYS A 74 19.467 -0.775 4.785 1.00 25.00 C ATOM 1253 CE LYS A 74 19.706 -0.681 3.290 1.00 25.00 C ATOM 1254 NZ LYS A 74 18.402 -0.639 2.556 1.00 25.00 N ATOM 0 H LYS A 74 20.927 -0.833 9.532 1.00 25.00 H new ATOM 0 HA LYS A 74 19.934 0.828 7.311 1.00 25.00 H new ATOM 0 HB2 LYS A 74 21.554 -1.428 7.459 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.990 -2.124 7.087 1.00 25.00 H new ATOM 0 HG2 LYS A 74 21.316 0.074 5.454 1.00 25.00 H new ATOM 0 HG3 LYS A 74 21.408 -1.634 5.074 1.00 25.00 H new ATOM 0 HD2 LYS A 74 18.852 -1.648 5.005 1.00 25.00 H new ATOM 0 HD3 LYS A 74 18.912 0.100 5.125 1.00 25.00 H new ATOM 0 HE2 LYS A 74 20.287 0.213 3.063 1.00 25.00 H new ATOM 0 HE3 LYS A 74 20.292 -1.536 2.954 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 18.455 0.066 1.793 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 18.202 -1.575 2.149 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 17.641 -0.379 3.215 1.00 25.00 H new ATOM 1268 N VAL A 75 18.113 -1.269 9.046 1.00 25.00 N ATOM 1269 CA VAL A 75 16.709 -1.573 9.342 1.00 25.00 C ATOM 1270 C VAL A 75 16.437 -1.094 10.759 1.00 25.00 C ATOM 1271 O VAL A 75 17.164 -1.439 11.681 1.00 25.00 O ATOM 1272 CB VAL A 75 16.449 -3.111 9.257 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.984 -3.459 9.600 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.787 -3.627 7.862 1.00 25.00 C ATOM 0 H VAL A 75 18.790 -1.722 9.660 1.00 25.00 H new ATOM 0 HA VAL A 75 16.056 -1.080 8.621 1.00 25.00 H new ATOM 0 HB VAL A 75 17.094 -3.595 9.991 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.840 -4.537 9.530 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.759 -3.128 10.614 1.00 25.00 H new ATOM 0 HG13 VAL A 75 14.317 -2.958 8.898 1.00 25.00 H new ATOM 0 HG21 VAL A 75 16.601 -4.700 7.816 1.00 25.00 H new ATOM 0 HG22 VAL A 75 16.164 -3.119 7.125 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.837 -3.431 7.646 1.00 25.00 H new ATOM 1284 N PRO A 76 15.347 -0.338 10.968 1.00 25.00 N ATOM 1285 CA PRO A 76 15.167 0.110 12.349 1.00 25.00 C ATOM 1286 C PRO A 76 14.559 -0.947 13.257 1.00 25.00 C ATOM 1287 O PRO A 76 13.696 -1.717 12.848 1.00 25.00 O ATOM 1288 CB PRO A 76 14.216 1.288 12.192 1.00 25.00 C ATOM 1289 CG PRO A 76 13.395 0.955 11.011 1.00 25.00 C ATOM 1290 CD PRO A 76 14.318 0.220 10.070 1.00 25.00 C ATOM 0 HA PRO A 76 16.118 0.350 12.824 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.597 1.418 13.080 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.762 2.220 12.044 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.543 0.335 11.288 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.996 1.856 10.545 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.794 -0.564 9.523 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.752 0.890 9.328 1.00 25.00 H new ATOM 1298 N VAL A 77 14.936 -0.931 14.526 1.00 25.00 N ATOM 1299 CA VAL A 77 14.361 -1.866 15.495 1.00 25.00 C ATOM 1300 C VAL A 77 12.873 -1.577 15.739 1.00 25.00 C ATOM 1301 O VAL A 77 12.113 -2.461 16.132 1.00 25.00 O ATOM 1302 CB VAL A 77 15.139 -1.840 16.843 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.573 -2.342 16.636 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.170 -0.424 17.445 1.00 25.00 C ATOM 0 H VAL A 77 15.630 -0.290 14.911 1.00 25.00 H new ATOM 0 HA VAL A 77 14.452 -2.864 15.066 1.00 25.00 H new ATOM 0 HB VAL A 77 14.619 -2.498 17.539 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.107 -2.319 17.586 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.550 -3.364 16.257 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.083 -1.700 15.917 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.721 -0.440 18.386 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.661 0.257 16.749 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.151 -0.084 17.627 1.00 25.00 H new ATOM 1314 N THR A 78 12.431 -0.360 15.444 1.00 25.00 N ATOM 1315 CA THR A 78 11.016 -0.016 15.606 1.00 25.00 C ATOM 1316 C THR A 78 10.160 -0.716 14.572 1.00 25.00 C ATOM 1317 O THR A 78 8.976 -0.929 14.791 1.00 25.00 O ATOM 1318 CB THR A 78 10.764 1.514 15.550 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.370 1.792 15.680 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.267 2.159 14.284 1.00 25.00 C ATOM 0 H THR A 78 13.019 0.398 15.096 1.00 25.00 H new ATOM 0 HA THR A 78 10.731 -0.362 16.600 1.00 25.00 H new ATOM 0 HB THR A 78 11.325 1.938 16.382 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.225 2.761 15.644 1.00 25.00 H new ATOM 0 HG21 THR A 78 11.058 3.228 14.312 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.342 2.002 14.198 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.765 1.714 13.425 1.00 25.00 H new ATOM 1328 N ALA A 79 10.758 -1.145 13.471 1.00 25.00 N ATOM 1329 CA ALA A 79 10.005 -1.866 12.462 1.00 25.00 C ATOM 1330 C ALA A 79 9.460 -3.176 13.035 1.00 25.00 C ATOM 1331 O ALA A 79 8.339 -3.562 12.739 1.00 25.00 O ATOM 1332 CB ALA A 79 10.876 -2.115 11.268 1.00 25.00 C ATOM 0 H ALA A 79 11.746 -1.009 13.257 1.00 25.00 H new ATOM 0 HA ALA A 79 9.152 -1.264 12.149 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.309 -2.657 10.511 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.212 -1.163 10.858 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.741 -2.707 11.566 1.00 25.00 H new ATOM 1338 N PHE A 80 10.230 -3.823 13.899 1.00 25.00 N ATOM 1339 CA PHE A 80 9.783 -5.059 14.543 1.00 25.00 C ATOM 1340 C PHE A 80 8.723 -4.770 15.592 1.00 25.00 C ATOM 1341 O PHE A 80 7.845 -5.583 15.850 1.00 25.00 O ATOM 1342 CB PHE A 80 10.957 -5.756 15.222 1.00 25.00 C ATOM 1343 CG PHE A 80 12.049 -6.136 14.279 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.029 -7.383 13.633 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.110 -5.248 14.025 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.053 -7.744 12.741 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.135 -5.589 13.127 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.108 -6.844 12.481 1.00 25.00 C ATOM 0 H PHE A 80 11.164 -3.517 14.172 1.00 25.00 H new ATOM 0 HA PHE A 80 9.363 -5.701 13.769 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.364 -5.099 15.991 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.595 -6.652 15.727 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.219 -8.071 13.824 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.137 -4.292 14.527 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.032 -8.708 12.255 1.00 25.00 H new ATOM 0 HE2 PHE A 80 14.939 -4.895 12.932 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.893 -7.114 11.790 1.00 25.00 H new ATOM 1358 N SER A 81 8.809 -3.601 16.203 1.00 25.00 N ATOM 1359 CA SER A 81 7.857 -3.209 17.243 1.00 25.00 C ATOM 1360 C SER A 81 6.508 -2.954 16.586 1.00 25.00 C ATOM 1361 O SER A 81 5.478 -3.461 17.028 1.00 25.00 O ATOM 1362 CB SER A 81 8.341 -1.951 17.970 1.00 25.00 C ATOM 1363 OG SER A 81 7.442 -1.578 18.997 1.00 25.00 O ATOM 0 H SER A 81 9.525 -2.903 16.001 1.00 25.00 H new ATOM 0 HA SER A 81 7.768 -4.006 17.981 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.329 -2.130 18.395 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.444 -1.132 17.258 1.00 25.00 H new ATOM 0 HG SER A 81 7.775 -0.773 19.447 1.00 25.00 H new ATOM 1369 N TYR A 82 6.536 -2.234 15.474 1.00 25.00 N ATOM 1370 CA TYR A 82 5.337 -1.990 14.692 1.00 25.00 C ATOM 1371 C TYR A 82 4.802 -3.305 14.163 1.00 25.00 C ATOM 1372 O TYR A 82 3.619 -3.576 14.255 1.00 25.00 O ATOM 1373 CB TYR A 82 5.645 -1.057 13.523 1.00 25.00 C ATOM 1374 CG TYR A 82 5.345 0.385 13.838 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.319 1.228 14.418 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.070 0.916 13.569 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.017 2.584 14.721 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.767 2.272 13.868 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.744 3.092 14.436 1.00 25.00 C ATOM 1380 OH TYR A 82 4.445 4.401 14.712 1.00 25.00 O ATOM 0 H TYR A 82 7.381 -1.808 15.093 1.00 25.00 H new ATOM 0 HA TYR A 82 4.590 -1.519 15.331 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.696 -1.155 13.252 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.062 -1.364 12.655 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.303 0.839 14.633 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.312 0.285 13.130 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.767 3.219 15.169 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.784 2.667 13.657 1.00 25.00 H new ATOM 0 HH TYR A 82 3.519 4.587 14.451 1.00 25.00 H new ATOM 1390 N TRP A 83 5.681 -4.145 13.649 1.00 25.00 N ATOM 1391 CA TRP A 83 5.274 -5.438 13.118 1.00 25.00 C ATOM 1392 C TRP A 83 4.537 -6.272 14.167 1.00 25.00 C ATOM 1393 O TRP A 83 3.531 -6.926 13.870 1.00 25.00 O ATOM 1394 CB TRP A 83 6.508 -6.204 12.643 1.00 25.00 C ATOM 1395 CG TRP A 83 6.171 -7.573 12.184 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.732 -7.955 10.961 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.216 -8.779 12.969 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.478 -9.293 10.916 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.753 -9.835 12.139 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.593 -9.073 14.295 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.641 -11.156 12.596 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.498 -10.406 14.758 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.018 -11.436 13.898 1.00 25.00 C ATOM 0 H TRP A 83 6.682 -3.958 13.587 1.00 25.00 H new ATOM 0 HA TRP A 83 4.593 -5.260 12.286 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.984 -5.656 11.830 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.233 -6.262 13.455 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.600 -7.283 10.126 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.138 -9.806 10.102 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.950 -8.291 14.949 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.270 -11.936 11.948 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.791 -10.645 15.770 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.947 -12.449 14.267 1.00 25.00 H new ATOM 1414 N ASN A 84 5.030 -6.228 15.398 1.00 25.00 N ATOM 1415 CA ASN A 84 4.446 -6.994 16.500 1.00 25.00 C ATOM 1416 C ASN A 84 3.048 -6.488 16.829 1.00 25.00 C ATOM 1417 O ASN A 84 2.173 -7.269 17.199 1.00 25.00 O ATOM 1418 CB ASN A 84 5.326 -6.904 17.752 1.00 25.00 C ATOM 1419 CG ASN A 84 6.273 -8.075 17.882 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.875 -9.167 18.264 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.517 -7.861 17.572 1.00 25.00 N ATOM 0 H ASN A 84 5.839 -5.666 15.663 1.00 25.00 H new ATOM 0 HA ASN A 84 4.383 -8.035 16.182 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.901 -5.978 17.722 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.690 -6.856 18.636 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.198 -8.617 17.644 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.812 -6.937 17.257 1.00 25.00 H new ATOM 1428 N LEU A 85 2.833 -5.189 16.669 1.00 25.00 N ATOM 1429 CA LEU A 85 1.527 -4.592 16.924 1.00 25.00 C ATOM 1430 C LEU A 85 0.502 -5.155 15.944 1.00 25.00 C ATOM 1431 O LEU A 85 -0.559 -5.582 16.346 1.00 25.00 O ATOM 1432 CB LEU A 85 1.619 -3.058 16.822 1.00 25.00 C ATOM 1433 CG LEU A 85 0.390 -2.228 17.237 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.856 -0.826 17.647 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.643 -2.097 16.109 1.00 25.00 C ATOM 0 H LEU A 85 3.546 -4.527 16.364 1.00 25.00 H new ATOM 0 HA LEU A 85 1.203 -4.841 17.934 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.462 -2.733 17.432 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.858 -2.806 15.789 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.093 -2.746 18.066 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.006 -0.228 17.943 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.549 -0.903 18.485 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.357 -0.348 16.805 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.488 -1.503 16.457 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.184 -1.608 15.250 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.992 -3.088 15.818 1.00 25.00 H new ATOM 1447 N ILE A 86 0.820 -5.206 14.660 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.139 -5.754 13.695 1.00 25.00 C ATOM 1449 C ILE A 86 -0.268 -7.266 13.913 1.00 25.00 C ATOM 1450 O ILE A 86 -1.340 -7.842 13.733 1.00 25.00 O ATOM 1451 CB ILE A 86 0.254 -5.458 12.212 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.170 -3.950 11.895 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.711 -6.172 11.259 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.413 -3.154 12.233 1.00 25.00 C ATOM 0 H ILE A 86 1.704 -4.887 14.264 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.096 -5.261 13.869 1.00 25.00 H new ATOM 0 HB ILE A 86 1.277 -5.810 12.079 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.043 -3.829 10.833 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.674 -3.526 12.440 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.428 -5.959 10.228 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.665 -7.247 11.433 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.727 -5.818 11.437 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.256 -2.107 11.974 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.619 -3.237 13.300 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.260 -3.544 11.668 1.00 25.00 H new ATOM 1466 N LYS A 87 0.805 -7.908 14.353 1.00 25.00 N ATOM 1467 CA LYS A 87 0.760 -9.348 14.611 1.00 25.00 C ATOM 1468 C LYS A 87 -0.313 -9.675 15.646 1.00 25.00 C ATOM 1469 O LYS A 87 -1.056 -10.623 15.452 1.00 25.00 O ATOM 1470 CB LYS A 87 2.149 -9.869 15.031 1.00 25.00 C ATOM 1471 CG LYS A 87 2.181 -10.752 16.289 1.00 25.00 C ATOM 1472 CD LYS A 87 3.599 -11.107 16.659 1.00 25.00 C ATOM 1473 CE LYS A 87 3.653 -11.767 18.032 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.074 -11.912 18.502 1.00 25.00 N ATOM 0 H LYS A 87 1.706 -7.467 14.538 1.00 25.00 H new ATOM 0 HA LYS A 87 0.488 -9.862 13.689 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.569 -10.437 14.201 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.803 -9.013 15.195 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.704 -10.229 17.118 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.607 -11.662 16.114 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.017 -11.780 15.911 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.215 -10.208 16.659 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.088 -11.171 18.749 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.179 -12.747 17.988 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.082 -12.269 19.479 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.577 -12.581 17.885 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.547 -10.986 18.468 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.432 -8.896 16.714 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.446 -9.200 17.729 1.00 25.00 C ATOM 1490 C GLU A 88 -2.839 -8.833 17.225 1.00 25.00 C ATOM 1491 O GLU A 88 -3.815 -9.476 17.601 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.148 -8.521 19.078 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.144 -7.003 19.058 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.815 -6.396 20.270 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.387 -6.651 21.412 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -2.757 -5.602 20.077 1.00 25.00 O ATOM 0 H GLU A 88 0.139 -8.072 16.902 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.412 -10.275 17.906 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.888 -8.856 19.805 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.176 -8.865 19.431 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.115 -6.648 19.003 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.649 -6.655 18.157 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.930 -7.854 16.331 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.221 -7.477 15.764 1.00 25.00 C ATOM 1505 C LEU A 89 -4.777 -8.641 14.955 1.00 25.00 C ATOM 1506 O LEU A 89 -5.938 -8.992 15.097 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.117 -6.227 14.876 1.00 25.00 C ATOM 1508 CG LEU A 89 -3.783 -4.878 15.543 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.821 -3.782 14.471 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.728 -4.507 16.687 1.00 25.00 C ATOM 0 H LEU A 89 -2.137 -7.313 15.987 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.893 -7.237 16.588 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.357 -6.420 14.119 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.066 -6.112 14.352 1.00 25.00 H new ATOM 0 HG LEU A 89 -2.792 -4.973 15.986 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.587 -2.820 14.926 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.087 -4.005 13.696 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.816 -3.741 14.028 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -4.431 -3.546 17.107 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -5.748 -4.438 16.309 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -4.680 -5.272 17.462 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.946 -9.256 14.125 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.397 -10.378 13.297 1.00 25.00 C ATOM 1524 C ILE A 90 -4.606 -11.621 14.165 1.00 25.00 C ATOM 1525 O ILE A 90 -5.585 -12.344 14.000 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.382 -10.719 12.160 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.154 -9.493 11.250 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.917 -11.898 11.298 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.958 -9.642 10.288 1.00 25.00 C ATOM 0 H ILE A 90 -2.965 -9.004 14.004 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.336 -10.075 12.835 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.437 -11.003 12.624 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -4.057 -9.313 10.666 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.998 -8.613 11.875 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.201 -12.126 10.509 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.055 -12.777 11.928 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.871 -11.619 10.852 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.863 -8.740 9.683 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -1.044 -9.790 10.864 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.120 -10.501 9.637 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.700 -11.859 15.104 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.776 -13.038 15.977 1.00 25.00 C ATOM 1543 C ASP A 91 -5.056 -13.022 16.814 1.00 25.00 C ATOM 1544 O ASP A 91 -5.607 -14.066 17.150 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.547 -13.082 16.891 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.372 -14.422 17.578 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.760 -15.329 16.965 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.738 -14.534 18.769 1.00 25.00 O ATOM 0 H ASP A 91 -2.900 -11.254 15.286 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.795 -13.931 15.352 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.656 -12.861 16.304 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.633 -12.301 17.646 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.557 -11.827 17.110 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.812 -11.672 17.849 1.00 25.00 C ATOM 1555 C LYS A 92 -7.894 -11.004 17.010 1.00 25.00 C ATOM 1556 O LYS A 92 -8.778 -10.356 17.560 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.572 -10.859 19.133 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.589 -11.503 20.114 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.131 -12.833 20.659 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.214 -13.423 21.720 1.00 25.00 C ATOM 1561 NZ LYS A 92 -3.851 -13.711 21.166 1.00 25.00 N ATOM 0 H LYS A 92 -5.113 -10.946 16.850 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.163 -12.672 18.105 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.199 -9.872 18.859 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.526 -10.711 19.638 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.635 -11.674 19.616 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.398 -10.820 20.942 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -7.123 -12.675 21.082 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.243 -13.543 19.840 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -5.129 -12.729 22.556 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.651 -14.342 22.111 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -3.414 -14.485 21.705 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -3.934 -13.988 20.167 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -3.259 -12.859 21.241 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.864 -11.184 15.694 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.887 -10.575 14.821 1.00 25.00 C ATOM 1577 C LYS A 93 -10.269 -11.114 15.159 1.00 25.00 C ATOM 1578 O LYS A 93 -11.272 -10.473 14.914 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.593 -10.834 13.331 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.744 -12.301 12.893 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.590 -12.462 11.391 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.635 -13.942 10.989 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.900 -14.651 11.442 1.00 25.00 N ATOM 0 H LYS A 93 -7.159 -11.736 15.205 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.859 -9.500 14.998 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.262 -10.219 12.730 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.577 -10.506 13.113 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.997 -12.911 13.402 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.722 -12.673 13.200 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -9.385 -11.918 10.880 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.646 -12.023 11.070 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -8.552 -14.019 9.905 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.770 -14.452 11.412 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.932 -15.604 11.026 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.904 -14.726 12.479 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.732 -14.110 11.131 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.289 -12.310 15.717 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.517 -13.025 16.017 1.00 25.00 C ATOM 1599 C GLU A 94 -12.449 -12.255 16.935 1.00 25.00 C ATOM 1600 O GLU A 94 -13.632 -12.095 16.676 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.119 -14.339 16.681 1.00 25.00 C ATOM 1602 CG GLU A 94 -11.882 -15.488 16.177 1.00 25.00 C ATOM 1603 CD GLU A 94 -11.315 -16.042 14.853 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -10.738 -15.258 14.049 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -11.416 -17.263 14.631 1.00 25.00 O ATOM 0 H GLU A 94 -9.444 -12.819 15.978 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.066 -13.179 15.088 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -10.056 -14.515 16.518 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -11.266 -14.255 17.758 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -11.880 -16.278 16.928 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -12.921 -15.193 16.028 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.866 -11.768 18.010 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.576 -10.972 19.016 1.00 25.00 C ATOM 1614 C VAL A 95 -12.454 -9.462 18.761 1.00 25.00 C ATOM 1615 O VAL A 95 -12.892 -8.652 19.571 1.00 25.00 O ATOM 1616 CB VAL A 95 -12.046 -11.297 20.445 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.320 -12.772 20.788 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.530 -11.011 20.560 1.00 25.00 C ATOM 0 H VAL A 95 -10.878 -11.909 18.221 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.629 -11.242 18.940 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.572 -10.654 21.151 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.946 -12.988 21.789 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.393 -12.960 20.753 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.816 -13.413 20.065 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -10.191 -11.248 21.568 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.988 -11.626 19.841 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.342 -9.958 20.352 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.867 -9.089 17.631 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.702 -7.676 17.267 1.00 25.00 C ATOM 1630 C ASN A 96 -12.358 -7.402 15.911 1.00 25.00 C ATOM 1631 O ASN A 96 -11.689 -7.426 14.873 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.218 -7.300 17.195 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.629 -6.993 18.545 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.891 -5.949 19.118 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.803 -7.866 19.038 1.00 25.00 N ATOM 0 H ASN A 96 -11.494 -9.744 16.944 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.182 -7.072 18.036 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.662 -8.119 16.739 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.099 -6.433 16.546 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.349 -7.689 19.934 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.609 -8.728 18.529 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.671 -7.113 15.890 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.303 -6.904 14.579 1.00 25.00 C ATOM 1644 C PRO A 97 -13.822 -5.655 13.834 1.00 25.00 C ATOM 1645 O PRO A 97 -13.863 -5.608 12.603 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.790 -6.805 14.932 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.804 -6.279 16.324 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.650 -6.982 16.987 1.00 25.00 C ATOM 0 HA PRO A 97 -14.056 -7.708 13.886 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.317 -6.138 14.250 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.279 -7.777 14.869 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.677 -5.197 16.344 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.747 -6.499 16.825 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.249 -6.404 17.820 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.943 -7.953 17.385 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.308 -4.668 14.560 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.771 -3.457 13.937 1.00 25.00 C ATOM 1658 C GLN A 98 -11.520 -3.811 13.138 1.00 25.00 C ATOM 1659 O GLN A 98 -11.208 -3.171 12.137 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.485 -2.349 14.987 1.00 25.00 C ATOM 1661 CG GLN A 98 -11.164 -2.446 15.806 1.00 25.00 C ATOM 1662 CD GLN A 98 -11.180 -3.491 16.916 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -12.045 -4.348 16.975 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -10.212 -3.422 17.783 1.00 25.00 N ATOM 0 H GLN A 98 -13.251 -4.680 15.578 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.520 -3.050 13.257 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.489 -1.389 14.470 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -13.316 -2.334 15.692 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -10.345 -2.673 15.124 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -10.952 -1.471 16.246 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -9.506 -2.691 17.702 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -10.160 -4.099 18.544 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.832 -4.859 13.570 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.656 -5.353 12.869 1.00 25.00 C ATOM 1675 C VAL A 99 -10.073 -6.293 11.759 1.00 25.00 C ATOM 1676 O VAL A 99 -9.606 -6.171 10.647 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.712 -6.133 13.820 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.618 -6.843 13.035 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.107 -5.189 14.853 1.00 25.00 C ATOM 0 H VAL A 99 -11.071 -5.387 14.409 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.131 -4.485 12.469 1.00 25.00 H new ATOM 0 HB VAL A 99 -9.297 -6.890 14.341 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -6.968 -7.383 13.724 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.070 -7.546 12.335 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -7.031 -6.109 12.483 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.446 -5.749 15.515 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.537 -4.411 14.345 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.904 -4.731 15.439 1.00 25.00 H new ATOM 1689 N MET A 100 -10.932 -7.250 12.068 1.00 25.00 N ATOM 1690 CA MET A 100 -11.304 -8.289 11.110 1.00 25.00 C ATOM 1691 C MET A 100 -11.879 -7.716 9.815 1.00 25.00 C ATOM 1692 O MET A 100 -11.529 -8.173 8.726 1.00 25.00 O ATOM 1693 CB MET A 100 -12.287 -9.239 11.784 1.00 25.00 C ATOM 1694 CG MET A 100 -12.855 -10.335 10.889 1.00 25.00 C ATOM 1695 SD MET A 100 -14.345 -9.803 10.011 1.00 25.00 S ATOM 1696 CE MET A 100 -14.077 -10.526 8.383 1.00 25.00 C ATOM 0 H MET A 100 -11.388 -7.333 12.976 1.00 25.00 H new ATOM 0 HA MET A 100 -10.405 -8.831 10.816 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.789 -9.708 12.633 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.115 -8.654 12.184 1.00 25.00 H new ATOM 0 HG2 MET A 100 -12.098 -10.638 10.165 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.086 -11.211 11.494 1.00 25.00 H new ATOM 0 HE1 MET A 100 -14.917 -10.281 7.733 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.158 -10.127 7.954 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.994 -11.609 8.475 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.692 -6.675 9.911 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.222 -6.038 8.711 1.00 25.00 C ATOM 1708 C ALA A 101 -12.083 -5.409 7.890 1.00 25.00 C ATOM 1709 O ALA A 101 -12.110 -5.412 6.665 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.251 -4.976 9.099 1.00 25.00 C ATOM 0 H ALA A 101 -12.996 -6.258 10.790 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.710 -6.794 8.096 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.643 -4.504 8.199 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -15.068 -5.444 9.648 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.777 -4.222 9.727 1.00 25.00 H new ATOM 1716 N ALA A 102 -11.076 -4.890 8.577 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.946 -4.238 7.933 1.00 25.00 C ATOM 1718 C ALA A 102 -9.014 -5.276 7.293 1.00 25.00 C ATOM 1719 O ALA A 102 -8.348 -4.980 6.306 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.190 -3.383 8.962 1.00 25.00 C ATOM 0 H ALA A 102 -11.019 -4.909 9.595 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.315 -3.589 7.139 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.344 -2.895 8.478 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.861 -2.626 9.369 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.829 -4.020 9.769 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.995 -6.492 7.828 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.200 -7.583 7.245 1.00 25.00 C ATOM 1728 C VAL A 103 -8.742 -7.836 5.846 1.00 25.00 C ATOM 1729 O VAL A 103 -7.989 -7.859 4.872 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.305 -8.913 8.091 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.572 -10.077 7.410 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.733 -8.717 9.497 1.00 25.00 C ATOM 0 H VAL A 103 -9.518 -6.753 8.664 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.149 -7.293 7.231 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.365 -9.157 8.161 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.667 -10.974 8.022 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.010 -10.259 6.429 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.518 -9.826 7.295 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.818 -9.648 10.057 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.684 -8.431 9.426 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.289 -7.933 10.010 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.057 -7.978 5.748 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.704 -8.243 4.468 1.00 25.00 C ATOM 1744 C ALA A 104 -10.519 -7.064 3.511 1.00 25.00 C ATOM 1745 O ALA A 104 -10.197 -7.254 2.347 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.196 -8.529 4.688 1.00 25.00 C ATOM 0 H ALA A 104 -10.698 -7.914 6.539 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.238 -9.119 4.016 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.674 -8.726 3.728 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.308 -9.399 5.335 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.667 -7.665 5.157 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.686 -5.850 4.017 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.534 -4.656 3.192 1.00 25.00 C ATOM 1754 C GLN A 105 -9.132 -4.553 2.619 1.00 25.00 C ATOM 1755 O GLN A 105 -8.951 -4.159 1.473 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.817 -3.411 4.027 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.292 -3.158 4.275 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.509 -1.993 5.209 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.684 -1.705 6.061 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.606 -1.304 5.042 1.00 25.00 N ATOM 0 H GLN A 105 -10.926 -5.664 4.991 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.244 -4.730 2.368 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.309 -3.506 4.986 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.389 -2.544 3.524 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.792 -2.962 3.327 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.749 -4.053 4.697 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -14.273 -1.574 4.319 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.796 -0.496 5.634 1.00 25.00 H new ATOM 1769 N THR A 106 -8.127 -4.891 3.407 1.00 25.00 N ATOM 1770 CA THR A 106 -6.760 -4.791 2.926 1.00 25.00 C ATOM 1771 C THR A 106 -6.528 -5.847 1.844 1.00 25.00 C ATOM 1772 O THR A 106 -5.904 -5.555 0.829 1.00 25.00 O ATOM 1773 CB THR A 106 -5.739 -4.939 4.066 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.086 -4.065 5.136 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.344 -4.552 3.609 1.00 25.00 C ATOM 0 H THR A 106 -8.227 -5.231 4.364 1.00 25.00 H new ATOM 0 HA THR A 106 -6.614 -3.798 2.502 1.00 25.00 H new ATOM 0 HB THR A 106 -5.751 -5.982 4.381 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.939 -4.349 5.527 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.645 -4.667 4.437 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.039 -5.197 2.785 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.345 -3.514 3.277 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.079 -7.046 2.012 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.964 -8.069 0.964 1.00 25.00 C ATOM 1785 C GLU A 107 -7.602 -7.594 -0.342 1.00 25.00 C ATOM 1786 O GLU A 107 -7.031 -7.788 -1.408 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.631 -9.392 1.360 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.899 -10.182 2.439 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.283 -11.664 2.444 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.163 -12.078 1.654 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.646 -12.433 3.199 1.00 25.00 O ATOM 0 H GLU A 107 -7.599 -7.334 2.841 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.895 -8.235 0.829 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.643 -9.182 1.707 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.722 -10.017 0.471 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.824 -10.089 2.286 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.121 -9.749 3.415 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.763 -6.953 -0.269 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.442 -6.458 -1.476 1.00 25.00 C ATOM 1800 C GLU A 108 -8.546 -5.478 -2.224 1.00 25.00 C ATOM 1801 O GLU A 108 -8.385 -5.558 -3.442 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.740 -5.718 -1.116 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.863 -6.589 -0.579 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.085 -5.756 -0.190 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -12.944 -4.820 0.636 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.180 -6.018 -0.729 1.00 25.00 O ATOM 0 H GLU A 108 -9.256 -6.761 0.603 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.668 -7.325 -2.097 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.508 -4.955 -0.373 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.100 -5.199 -2.004 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.147 -7.323 -1.333 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.510 -7.145 0.289 1.00 25.00 H new ATOM 1813 N ILE A 109 -7.972 -4.543 -1.486 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.149 -3.485 -2.070 1.00 25.00 C ATOM 1815 C ILE A 109 -5.875 -4.071 -2.682 1.00 25.00 C ATOM 1816 O ILE A 109 -5.434 -3.641 -3.750 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.812 -2.411 -0.983 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.120 -1.736 -0.512 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.835 -1.332 -1.538 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.042 -1.064 0.863 1.00 25.00 C ATOM 0 H ILE A 109 -8.059 -4.491 -0.471 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.708 -3.000 -2.870 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.324 -2.909 -0.145 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.411 -0.988 -1.249 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.911 -2.486 -0.489 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.620 -0.600 -0.759 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.907 -1.809 -1.853 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.293 -0.830 -2.391 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.007 -0.619 1.106 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.785 -1.808 1.617 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.278 -0.287 0.845 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.293 -5.064 -2.026 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.062 -5.686 -2.518 1.00 25.00 C ATOM 1834 C LEU A 110 -4.324 -6.546 -3.750 1.00 25.00 C ATOM 1835 O LEU A 110 -3.553 -6.521 -4.703 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.432 -6.540 -1.418 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.380 -5.847 -0.532 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.797 -4.446 -0.049 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.092 -6.741 0.671 1.00 25.00 C ATOM 0 H LEU A 110 -5.648 -5.459 -1.155 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.376 -4.888 -2.801 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.230 -6.911 -0.775 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -2.968 -7.409 -1.884 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.490 -5.701 -1.144 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.005 -4.023 0.569 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.969 -3.800 -0.910 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.713 -4.521 0.537 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.348 -6.264 1.309 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.010 -6.896 1.237 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -1.712 -7.703 0.327 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.431 -7.272 -3.758 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.789 -8.101 -4.913 1.00 25.00 C ATOM 1853 C LYS A 111 -6.123 -7.218 -6.111 1.00 25.00 C ATOM 1854 O LYS A 111 -5.714 -7.495 -7.232 1.00 25.00 O ATOM 1855 CB LYS A 111 -6.951 -9.009 -4.556 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.512 -10.124 -3.619 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.698 -10.799 -3.017 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.258 -11.827 -1.978 1.00 25.00 C ATOM 1859 NZ LYS A 111 -8.398 -12.349 -1.155 1.00 25.00 N ATOM 0 H LYS A 111 -6.097 -7.309 -2.986 1.00 25.00 H new ATOM 0 HA LYS A 111 -4.939 -8.727 -5.186 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.741 -8.424 -4.084 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.372 -9.439 -5.465 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -5.911 -10.851 -4.166 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -5.879 -9.716 -2.831 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.348 -10.058 -2.552 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.280 -11.289 -3.798 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -6.769 -12.660 -2.483 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.517 -11.375 -1.318 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.205 -12.179 -0.147 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.275 -11.860 -1.427 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.506 -13.370 -1.319 1.00 25.00 H new ATOM 1873 N SER A 112 -6.807 -6.113 -5.853 1.00 25.00 N ATOM 1874 CA SER A 112 -7.161 -5.153 -6.903 1.00 25.00 C ATOM 1875 C SER A 112 -5.943 -4.424 -7.455 1.00 25.00 C ATOM 1876 O SER A 112 -5.991 -3.849 -8.541 1.00 25.00 O ATOM 1877 CB SER A 112 -8.116 -4.106 -6.337 1.00 25.00 C ATOM 1878 OG SER A 112 -8.610 -3.258 -7.361 1.00 25.00 O ATOM 0 H SER A 112 -7.132 -5.853 -4.922 1.00 25.00 H new ATOM 0 HA SER A 112 -7.624 -5.721 -7.710 1.00 25.00 H new ATOM 0 HB2 SER A 112 -8.949 -4.601 -5.838 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.601 -3.510 -5.584 1.00 25.00 H new ATOM 0 HG SER A 112 -9.221 -2.597 -6.972 1.00 25.00 H new ATOM 1884 N ASN A 113 -4.866 -4.417 -6.686 1.00 25.00 N ATOM 1885 CA ASN A 113 -3.649 -3.693 -7.060 1.00 25.00 C ATOM 1886 C ASN A 113 -3.007 -4.237 -8.336 1.00 25.00 C ATOM 1887 O ASN A 113 -2.329 -3.500 -9.049 1.00 25.00 O ATOM 1888 CB ASN A 113 -2.640 -3.739 -5.913 1.00 25.00 C ATOM 1889 CG ASN A 113 -1.982 -2.420 -5.684 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -1.026 -2.059 -6.355 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -2.511 -1.668 -4.762 1.00 25.00 N ATOM 0 H ASN A 113 -4.804 -4.906 -5.793 1.00 25.00 H new ATOM 0 HA ASN A 113 -3.941 -2.662 -7.260 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -3.145 -4.054 -5.000 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -1.880 -4.489 -6.131 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -2.128 -0.741 -4.578 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -3.309 -2.006 -4.224 1.00 25.00 H new ATOM 1898 N SER A 114 -3.268 -5.510 -8.626 1.00 25.00 N ATOM 1899 CA SER A 114 -2.848 -6.165 -9.864 1.00 25.00 C ATOM 1900 C SER A 114 -1.385 -5.942 -10.274 1.00 25.00 C ATOM 1901 O SER A 114 -1.095 -5.588 -11.411 1.00 25.00 O ATOM 1902 CB SER A 114 -3.774 -5.711 -10.985 1.00 25.00 C ATOM 1903 OG SER A 114 -5.129 -5.775 -10.567 1.00 25.00 O ATOM 0 H SER A 114 -3.785 -6.125 -7.998 1.00 25.00 H new ATOM 0 HA SER A 114 -2.917 -7.236 -9.676 1.00 25.00 H new ATOM 0 HB2 SER A 114 -3.526 -4.691 -11.279 1.00 25.00 H new ATOM 0 HB3 SER A 114 -3.628 -6.340 -11.863 1.00 25.00 H new ATOM 0 HG SER A 114 -5.321 -5.028 -9.963 1.00 25.00 H new ATOM 1909 N GLN A 115 -0.464 -6.163 -9.344 1.00 25.00 N ATOM 1910 CA GLN A 115 0.972 -6.010 -9.625 1.00 25.00 C ATOM 1911 C GLN A 115 1.576 -7.315 -10.161 1.00 25.00 C ATOM 1912 O GLN A 115 2.796 -7.422 -10.359 1.00 25.00 O ATOM 1913 CB GLN A 115 1.714 -5.588 -8.349 1.00 25.00 C ATOM 1914 CG GLN A 115 1.698 -6.641 -7.236 1.00 25.00 C ATOM 1915 CD GLN A 115 2.617 -6.278 -6.096 1.00 25.00 C ATOM 1916 OE1 GLN A 115 2.421 -5.286 -5.410 1.00 25.00 O ATOM 1917 NE2 GLN A 115 3.626 -7.081 -5.890 1.00 25.00 N ATOM 0 H GLN A 115 -0.678 -6.448 -8.388 1.00 25.00 H new ATOM 0 HA GLN A 115 1.084 -5.240 -10.388 1.00 25.00 H new ATOM 0 HB2 GLN A 115 2.749 -5.359 -8.603 1.00 25.00 H new ATOM 0 HB3 GLN A 115 1.268 -4.668 -7.970 1.00 25.00 H new ATOM 0 HG2 GLN A 115 0.681 -6.754 -6.859 1.00 25.00 H new ATOM 0 HG3 GLN A 115 1.995 -7.606 -7.647 1.00 25.00 H new ATOM 0 HE21 GLN A 115 3.756 -7.900 -6.484 1.00 25.00 H new ATOM 0 HE22 GLN A 115 4.284 -6.890 -5.135 1.00 25.00 H new ATOM 1926 N THR A 116 0.717 -8.312 -10.324 1.00 25.00 N ATOM 1927 CA THR A 116 1.107 -9.654 -10.729 1.00 25.00 C ATOM 1928 C THR A 116 1.684 -9.716 -12.136 1.00 25.00 C ATOM 1929 O THR A 116 1.177 -9.068 -13.049 1.00 25.00 O ATOM 1930 CB THR A 116 -0.133 -10.559 -10.702 1.00 25.00 C ATOM 1931 OG1 THR A 116 -1.192 -9.859 -10.034 1.00 25.00 O ATOM 1932 CG2 THR A 116 0.139 -11.849 -9.950 1.00 25.00 C ATOM 0 H THR A 116 -0.287 -8.208 -10.176 1.00 25.00 H new ATOM 0 HA THR A 116 1.880 -9.978 -10.032 1.00 25.00 H new ATOM 0 HB THR A 116 -0.403 -10.806 -11.729 1.00 25.00 H new ATOM 0 HG1 THR A 116 -1.993 -10.423 -10.010 1.00 25.00 H new ATOM 0 HG21 THR A 116 -0.759 -12.466 -9.950 1.00 25.00 H new ATOM 0 HG22 THR A 116 0.951 -12.390 -10.437 1.00 25.00 H new ATOM 0 HG23 THR A 116 0.421 -11.619 -8.923 1.00 25.00 H new ATOM 1940 N ASP A 117 2.723 -10.534 -12.282 1.00 25.00 N ATOM 1941 CA ASP A 117 3.403 -10.782 -13.554 1.00 25.00 C ATOM 1942 C ASP A 117 3.791 -9.476 -14.243 1.00 25.00 C ATOM 1943 O ASP A 117 3.972 -8.455 -13.581 1.00 25.00 O ATOM 1944 CB ASP A 117 2.523 -11.666 -14.451 1.00 25.00 C ATOM 1945 CG ASP A 117 2.157 -12.973 -13.778 1.00 25.00 C ATOM 1946 OD1 ASP A 117 3.062 -13.600 -13.185 1.00 25.00 O ATOM 1947 OD2 ASP A 117 0.972 -13.355 -13.803 1.00 25.00 O ATOM 0 H ASP A 117 3.126 -11.055 -11.503 1.00 25.00 H new ATOM 0 HA ASP A 117 4.333 -11.316 -13.357 1.00 25.00 H new ATOM 0 HB2 ASP A 117 1.613 -11.125 -14.712 1.00 25.00 H new ATOM 0 HB3 ASP A 117 3.049 -11.873 -15.383 1.00 25.00 H new ATOM 1952 N LEU A 118 3.929 -9.513 -15.562 1.00 25.00 N ATOM 1953 CA LEU A 118 4.212 -8.331 -16.365 1.00 25.00 C ATOM 1954 C LEU A 118 5.473 -7.568 -15.904 1.00 25.00 C ATOM 1955 O LEU A 118 6.502 -8.166 -15.586 1.00 25.00 O ATOM 1956 CB LEU A 118 2.971 -7.417 -16.356 1.00 25.00 C ATOM 1957 CG LEU A 118 1.597 -8.095 -16.533 1.00 25.00 C ATOM 1958 CD1 LEU A 118 0.498 -7.058 -16.319 1.00 25.00 C ATOM 1959 CD2 LEU A 118 1.449 -8.724 -17.927 1.00 25.00 C ATOM 0 H LEU A 118 3.847 -10.370 -16.108 1.00 25.00 H new ATOM 0 HA LEU A 118 4.429 -8.659 -17.382 1.00 25.00 H new ATOM 0 HB2 LEU A 118 2.960 -6.871 -15.412 1.00 25.00 H new ATOM 0 HB3 LEU A 118 3.089 -6.679 -17.150 1.00 25.00 H new ATOM 0 HG LEU A 118 1.513 -8.895 -15.798 1.00 25.00 H new ATOM 0 HD11 LEU A 118 -0.477 -7.530 -16.443 1.00 25.00 H new ATOM 0 HD12 LEU A 118 0.577 -6.647 -15.313 1.00 25.00 H new ATOM 0 HD13 LEU A 118 0.608 -6.256 -17.049 1.00 25.00 H new ATOM 0 HD21 LEU A 118 0.468 -9.192 -18.013 1.00 25.00 H new ATOM 0 HD22 LEU A 118 1.550 -7.950 -18.688 1.00 25.00 H new ATOM 0 HD23 LEU A 118 2.224 -9.477 -18.070 1.00 25.00 H new ATOM 1971 N GLU A 119 5.386 -6.247 -15.889 1.00 25.00 N ATOM 1972 CA GLU A 119 6.479 -5.366 -15.490 1.00 25.00 C ATOM 1973 C GLU A 119 5.777 -4.268 -14.690 1.00 25.00 C ATOM 1974 O GLU A 119 4.551 -4.268 -14.616 1.00 25.00 O ATOM 1975 CB GLU A 119 7.181 -4.795 -16.742 1.00 25.00 C ATOM 1976 CG GLU A 119 8.695 -4.505 -16.587 1.00 25.00 C ATOM 1977 CD GLU A 119 8.980 -3.354 -15.630 1.00 25.00 C ATOM 1978 OE1 GLU A 119 8.659 -2.188 -15.964 1.00 25.00 O ATOM 1979 OE2 GLU A 119 9.308 -3.641 -14.452 1.00 25.00 O ATOM 0 H GLU A 119 4.540 -5.745 -16.158 1.00 25.00 H new ATOM 0 HA GLU A 119 7.256 -5.865 -14.912 1.00 25.00 H new ATOM 0 HB2 GLU A 119 7.046 -5.498 -17.564 1.00 25.00 H new ATOM 0 HB3 GLU A 119 6.680 -3.870 -17.028 1.00 25.00 H new ATOM 0 HG2 GLU A 119 9.198 -5.403 -16.228 1.00 25.00 H new ATOM 0 HG3 GLU A 119 9.118 -4.272 -17.564 1.00 25.00 H new ATOM 1986 N HIS A 120 6.534 -3.325 -14.140 1.00 25.00 N ATOM 1987 CA HIS A 120 5.995 -2.131 -13.485 1.00 25.00 C ATOM 1988 C HIS A 120 5.232 -2.479 -12.210 1.00 25.00 C ATOM 1989 O HIS A 120 4.262 -1.826 -11.842 1.00 25.00 O ATOM 1990 CB HIS A 120 5.124 -1.350 -14.479 1.00 25.00 C ATOM 1991 CG HIS A 120 5.418 0.113 -14.517 1.00 25.00 C ATOM 1992 ND1 HIS A 120 6.523 0.657 -15.178 1.00 25.00 N ATOM 1993 CD2 HIS A 120 4.761 1.182 -14.000 1.00 25.00 C ATOM 1994 CE1 HIS A 120 6.479 1.980 -15.058 1.00 25.00 C ATOM 1995 NE2 HIS A 120 5.424 2.311 -14.360 1.00 25.00 N ATOM 0 H HIS A 120 7.553 -3.366 -14.135 1.00 25.00 H new ATOM 0 HA HIS A 120 6.826 -1.496 -13.177 1.00 25.00 H new ATOM 0 HB2 HIS A 120 5.266 -1.766 -15.477 1.00 25.00 H new ATOM 0 HB3 HIS A 120 4.075 -1.494 -14.220 1.00 25.00 H new ATOM 0 HD2 HIS A 120 3.862 1.142 -13.403 1.00 25.00 H new ATOM 0 HE1 HIS A 120 7.199 2.671 -15.471 1.00 25.00 H new ATOM 0 HE2 HIS A 120 5.144 3.263 -14.124 1.00 25.00 H new ATOM 2003 N HIS A 121 5.742 -3.484 -11.506 1.00 25.00 N ATOM 2004 CA HIS A 121 5.150 -3.979 -10.250 1.00 25.00 C ATOM 2005 C HIS A 121 5.125 -2.975 -9.082 1.00 25.00 C ATOM 2006 O HIS A 121 4.716 -3.320 -7.986 1.00 25.00 O ATOM 2007 CB HIS A 121 5.913 -5.226 -9.776 1.00 25.00 C ATOM 2008 CG HIS A 121 6.447 -6.075 -10.889 1.00 25.00 C ATOM 2009 ND1 HIS A 121 5.667 -6.971 -11.626 1.00 25.00 N ATOM 2010 CD2 HIS A 121 7.702 -6.205 -11.408 1.00 25.00 C ATOM 2011 CE1 HIS A 121 6.446 -7.573 -12.520 1.00 25.00 C ATOM 2012 NE2 HIS A 121 7.663 -7.124 -12.407 1.00 25.00 N ATOM 0 H HIS A 121 6.584 -3.987 -11.786 1.00 25.00 H new ATOM 0 HA HIS A 121 4.110 -4.187 -10.503 1.00 25.00 H new ATOM 0 HB2 HIS A 121 6.743 -4.912 -9.142 1.00 25.00 H new ATOM 0 HB3 HIS A 121 5.250 -5.831 -9.157 1.00 25.00 H new ATOM 0 HD1 HIS A 121 4.668 -7.135 -11.499 1.00 25.00 H new ATOM 0 HD2 HIS A 121 8.579 -5.667 -11.080 1.00 25.00 H new ATOM 0 HE1 HIS A 121 6.120 -8.319 -13.230 1.00 25.00 H new ATOM 2020 N HIS A 122 5.585 -1.750 -9.298 1.00 25.00 N ATOM 2021 CA HIS A 122 5.545 -0.707 -8.271 1.00 25.00 C ATOM 2022 C HIS A 122 5.329 0.616 -8.988 1.00 25.00 C ATOM 2023 O HIS A 122 5.732 0.748 -10.137 1.00 25.00 O ATOM 2024 CB HIS A 122 6.834 -0.696 -7.425 1.00 25.00 C ATOM 2025 CG HIS A 122 8.094 -0.543 -8.226 1.00 25.00 C ATOM 2026 ND1 HIS A 122 9.088 -1.526 -8.290 1.00 25.00 N ATOM 2027 CD2 HIS A 122 8.573 0.478 -8.992 1.00 25.00 C ATOM 2028 CE1 HIS A 122 10.075 -1.088 -9.064 1.00 25.00 C ATOM 2029 NE2 HIS A 122 9.784 0.112 -9.495 1.00 25.00 N ATOM 0 H HIS A 122 5.994 -1.448 -10.182 1.00 25.00 H new ATOM 0 HA HIS A 122 4.733 -0.893 -7.568 1.00 25.00 H new ATOM 0 HB2 HIS A 122 6.775 0.118 -6.703 1.00 25.00 H new ATOM 0 HB3 HIS A 122 6.889 -1.624 -6.855 1.00 25.00 H new ATOM 0 HD2 HIS A 122 8.075 1.420 -9.170 1.00 25.00 H new ATOM 0 HE1 HIS A 122 10.975 -1.636 -9.300 1.00 25.00 H new ATOM 0 HE2 HIS A 122 10.369 0.681 -10.108 1.00 25.00 H new ATOM 2037 N HIS A 123 4.681 1.560 -8.300 1.00 25.00 N ATOM 2038 CA HIS A 123 4.237 2.861 -8.861 1.00 25.00 C ATOM 2039 C HIS A 123 3.234 2.662 -10.012 1.00 25.00 C ATOM 2040 O HIS A 123 3.593 2.287 -11.122 1.00 25.00 O ATOM 2041 CB HIS A 123 5.423 3.743 -9.318 1.00 25.00 C ATOM 2042 CG HIS A 123 5.000 4.983 -10.049 1.00 25.00 C ATOM 2043 ND1 HIS A 123 4.924 6.256 -9.469 1.00 25.00 N ATOM 2044 CD2 HIS A 123 4.604 5.170 -11.333 1.00 25.00 C ATOM 2045 CE1 HIS A 123 4.488 7.115 -10.388 1.00 25.00 C ATOM 2046 NE2 HIS A 123 4.288 6.477 -11.509 1.00 25.00 N ATOM 0 H HIS A 123 4.440 1.449 -7.315 1.00 25.00 H new ATOM 0 HA HIS A 123 3.733 3.390 -8.052 1.00 25.00 H new ATOM 0 HB2 HIS A 123 6.011 4.028 -8.445 1.00 25.00 H new ATOM 0 HB3 HIS A 123 6.075 3.155 -9.964 1.00 25.00 H new ATOM 0 HD2 HIS A 123 4.549 4.403 -12.091 1.00 25.00 H new ATOM 0 HE1 HIS A 123 4.326 8.171 -10.231 1.00 25.00 H new ATOM 0 HE2 HIS A 123 3.949 6.894 -12.376 1.00 25.00 H new ATOM 2054 N HIS A 124 1.964 2.932 -9.739 1.00 25.00 N ATOM 2055 CA HIS A 124 0.934 2.821 -10.774 1.00 25.00 C ATOM 2056 C HIS A 124 1.212 3.874 -11.843 1.00 25.00 C ATOM 2057 O HIS A 124 1.453 5.028 -11.510 1.00 25.00 O ATOM 2058 CB HIS A 124 -0.465 3.049 -10.178 1.00 25.00 C ATOM 2059 CG HIS A 124 -0.883 1.998 -9.194 1.00 25.00 C ATOM 2060 ND1 HIS A 124 -1.820 2.217 -8.174 1.00 25.00 N ATOM 2061 CD2 HIS A 124 -0.519 0.694 -9.046 1.00 25.00 C ATOM 2062 CE1 HIS A 124 -1.965 1.097 -7.482 1.00 25.00 C ATOM 2063 NE2 HIS A 124 -1.195 0.175 -7.988 1.00 25.00 N ATOM 0 H HIS A 124 1.621 3.226 -8.824 1.00 25.00 H new ATOM 0 HA HIS A 124 0.961 1.820 -11.205 1.00 25.00 H new ATOM 0 HB2 HIS A 124 -0.486 4.022 -9.687 1.00 25.00 H new ATOM 0 HB3 HIS A 124 -1.193 3.085 -10.988 1.00 25.00 H new ATOM 0 HD2 HIS A 124 0.188 0.162 -9.665 1.00 25.00 H new ATOM 0 HE1 HIS A 124 -2.619 0.968 -6.632 1.00 25.00 H new ATOM 0 HE2 HIS A 124 -1.113 -0.782 -7.645 1.00 25.00 H new ATOM 2071 N HIS A 125 1.176 3.451 -13.103 1.00 25.00 N ATOM 2072 CA HIS A 125 1.439 4.318 -14.265 1.00 25.00 C ATOM 2073 C HIS A 125 2.719 5.164 -14.101 1.00 25.00 C ATOM 2074 O HIS A 125 3.796 4.542 -14.135 1.00 25.00 O ATOM 2075 CB HIS A 125 0.209 5.194 -14.554 1.00 25.00 C ATOM 2076 CG HIS A 125 0.224 5.822 -15.914 1.00 25.00 C ATOM 2077 ND1 HIS A 125 1.109 6.838 -16.274 1.00 25.00 N ATOM 2078 CD2 HIS A 125 -0.518 5.598 -17.032 1.00 25.00 C ATOM 2079 CE1 HIS A 125 0.881 7.180 -17.536 1.00 25.00 C ATOM 2080 NE2 HIS A 125 -0.093 6.447 -18.008 1.00 25.00 N ATOM 2081 OXT HIS A 125 2.651 6.410 -13.974 1.00 25.00 O ATOM 0 H HIS A 125 0.962 2.487 -13.357 1.00 25.00 H new ATOM 0 HA HIS A 125 1.620 3.674 -15.125 1.00 25.00 H new ATOM 0 HB2 HIS A 125 -0.690 4.587 -14.454 1.00 25.00 H new ATOM 0 HB3 HIS A 125 0.148 5.980 -13.801 1.00 25.00 H new ATOM 0 HD1 HIS A 125 1.816 7.251 -15.666 1.00 25.00 H new ATOM 0 HD2 HIS A 125 -1.310 4.870 -17.129 1.00 25.00 H new ATOM 0 HE1 HIS A 125 1.415 7.942 -18.085 1.00 25.00 H new TER 2089 HIS A 125