USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1132 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 MET CE :methyl -175:sc= -1.52 (180deg=-1.68) USER MOD Set 1.2: A 123 MET CE :methyl 154:sc= -3.04 (180deg=-4.07!) USER MOD Set 1.3: A 133 TYR OH : rot -90:sc= -0.685 USER MOD Set 2.1: A 87 GLN : amide:sc= -3.81! C(o=-8.1!,f=-4.4!) USER MOD Set 2.2: A 91 GLN : amide:sc= -4.25! C(o=-8.1!,f=-4.7!) USER MOD Set 3.1: A 20 ASN : amide:sc= -5.01! C(o=-4.6!,f=-4.6!) USER MOD Set 3.2: A 67 LYS NZ :NH3+ -138:sc= 0.459 (180deg=-0.0414) USER MOD Single : A 1 ALA N :NH3+ -165:sc=-0.00729 (180deg=-0.226) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.3!) USER MOD Single : A 11 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.4!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 117:sc= -0.781 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.347 K(o=0.35,f=-1.1) USER MOD Single : A 33 SER OG : rot -104:sc= 1.02 USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= 0.0467 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.036 K(o=-0.036,f=-0.55) USER MOD Single : A 37 HIS : no HD1:sc= -0.0397 X(o=-0.04,f=-0.04) USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= -0.0317 (180deg=-0.747) USER MOD Single : A 45 THR OG1 : rot -143:sc= 0.00156 USER MOD Single : A 47 SER OG : rot 161:sc= 0.19 USER MOD Single : A 51 MET CE :methyl 159:sc= -0.0456 (180deg=-0.583) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.112 K(o=-0.11,f=-2.6!) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 62 GLN : amide:sc= -0.22 K(o=-0.22,f=-2) USER MOD Single : A 63 SER OG : rot -81:sc= 0.966 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0885 X(o=-0.088,f=-0.33) USER MOD Single : A 75 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-2.4) USER MOD Single : A 76 MET CE :methyl 173:sc= 0 (180deg=-0.0707) USER MOD Single : A 83 GLN : amide:sc= 0.338 K(o=0.34,f=-0.24) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0.231 K(o=0.23,f=-9.6!) USER MOD Single : A 86 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-4.1!) USER MOD Single : A 93 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.96) USER MOD Single : A 94 LYS NZ :NH3+ -141:sc= -0.964 (180deg=-3.04!) USER MOD Single : A 95 ASN : amide:sc= -2.23 K(o=-2.2,f=-1.2) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 99 LYS NZ :NH3+ 132:sc=-0.00783 (180deg=-0.345) USER MOD Single : A 101 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1.6!) USER MOD Single : A 102 TYR OH : rot 150:sc= -1.82 USER MOD Single : A 103 LYS NZ :NH3+ 163:sc= -0.028 (180deg=-0.341) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -0.0888 K(o=-0.089,f=-2!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 133:sc= -0.0363 (180deg=-0.37) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ -162:sc= 0.0333 (180deg=-0.443) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 147.167 24.818 -15.874 1.00 1.00 N ATOM 2 CA ALA A 1 147.496 25.445 -14.602 1.00 1.00 C ATOM 3 C ALA A 1 148.158 24.434 -13.678 1.00 1.00 C ATOM 4 O ALA A 1 149.104 24.759 -12.963 1.00 1.00 O ATOM 5 CB ALA A 1 146.225 25.967 -13.935 1.00 1.00 C ATOM 0 H1 ALA A 1 146.956 25.553 -16.579 1.00 1.00 H new ATOM 0 H2 ALA A 1 147.974 24.248 -16.199 1.00 1.00 H new ATOM 0 H3 ALA A 1 146.336 24.204 -15.754 1.00 1.00 H new ATOM 0 HA ALA A 1 148.180 26.273 -14.789 1.00 1.00 H new ATOM 0 HB1 ALA A 1 146.479 26.435 -12.984 1.00 1.00 H new ATOM 0 HB2 ALA A 1 145.748 26.701 -14.585 1.00 1.00 H new ATOM 0 HB3 ALA A 1 145.539 25.138 -13.760 1.00 1.00 H new ATOM 11 N ARG A 2 147.641 23.209 -13.706 1.00 1.00 N ATOM 12 CA ARG A 2 148.161 22.132 -12.871 1.00 1.00 C ATOM 13 C ARG A 2 148.457 22.636 -11.460 1.00 1.00 C ATOM 14 O ARG A 2 147.612 22.531 -10.572 1.00 1.00 O ATOM 15 CB ARG A 2 149.425 21.545 -13.501 1.00 1.00 C ATOM 16 CG ARG A 2 149.899 20.354 -12.670 1.00 1.00 C ATOM 17 CD ARG A 2 151.058 19.664 -13.389 1.00 1.00 C ATOM 18 NE ARG A 2 150.599 19.094 -14.652 1.00 1.00 N ATOM 19 CZ ARG A 2 150.031 17.894 -14.703 1.00 1.00 C ATOM 20 NH1 ARG A 2 149.881 17.192 -13.611 1.00 1.00 N ATOM 21 NH2 ARG A 2 149.618 17.418 -15.847 1.00 1.00 N ATOM 0 H ARG A 2 146.859 22.937 -14.301 1.00 1.00 H new ATOM 0 HA ARG A 2 147.404 21.351 -12.802 1.00 1.00 H new ATOM 0 HB2 ARG A 2 149.222 21.231 -14.525 1.00 1.00 H new ATOM 0 HB3 ARG A 2 150.207 22.303 -13.549 1.00 1.00 H new ATOM 0 HG2 ARG A 2 150.217 20.689 -11.682 1.00 1.00 H new ATOM 0 HG3 ARG A 2 149.079 19.651 -12.520 1.00 1.00 H new ATOM 0 HD2 ARG A 2 151.859 20.380 -13.574 1.00 1.00 H new ATOM 0 HD3 ARG A 2 151.472 18.879 -12.756 1.00 1.00 H new ATOM 0 HE ARG A 2 150.717 19.628 -15.513 1.00 1.00 H new ATOM 0 HH11 ARG A 2 150.200 17.565 -12.717 1.00 1.00 H new ATOM 0 HH12 ARG A 2 149.445 16.271 -13.653 1.00 1.00 H new ATOM 0 HH21 ARG A 2 149.732 17.967 -16.699 1.00 1.00 H new ATOM 0 HH22 ARG A 2 149.182 16.497 -15.889 1.00 1.00 H new ATOM 35 N ARG A 3 149.650 23.188 -11.262 1.00 1.00 N ATOM 36 CA ARG A 3 150.034 23.709 -9.953 1.00 1.00 C ATOM 37 C ARG A 3 150.573 25.132 -10.092 1.00 1.00 C ATOM 38 O ARG A 3 151.479 25.380 -10.887 1.00 1.00 O ATOM 39 CB ARG A 3 151.104 22.807 -9.335 1.00 1.00 C ATOM 40 CG ARG A 3 151.436 23.290 -7.922 1.00 1.00 C ATOM 41 CD ARG A 3 152.514 22.386 -7.321 1.00 1.00 C ATOM 42 NE ARG A 3 152.772 22.760 -5.937 1.00 1.00 N ATOM 43 CZ ARG A 3 153.667 23.695 -5.635 1.00 1.00 C ATOM 44 NH1 ARG A 3 154.335 24.295 -6.582 1.00 1.00 N ATOM 45 NH2 ARG A 3 153.879 24.015 -4.388 1.00 1.00 N ATOM 0 H ARG A 3 150.363 23.286 -11.985 1.00 1.00 H new ATOM 0 HA ARG A 3 149.158 23.726 -9.305 1.00 1.00 H new ATOM 0 HB2 ARG A 3 150.750 21.777 -9.303 1.00 1.00 H new ATOM 0 HB3 ARG A 3 152.002 22.817 -9.953 1.00 1.00 H new ATOM 0 HG2 ARG A 3 151.785 24.322 -7.950 1.00 1.00 H new ATOM 0 HG3 ARG A 3 150.541 23.273 -7.299 1.00 1.00 H new ATOM 0 HD2 ARG A 3 152.194 21.345 -7.370 1.00 1.00 H new ATOM 0 HD3 ARG A 3 153.432 22.466 -7.904 1.00 1.00 H new ATOM 0 HE ARG A 3 152.258 22.297 -5.188 1.00 1.00 H new ATOM 0 HH11 ARG A 3 154.171 24.047 -7.558 1.00 1.00 H new ATOM 0 HH12 ARG A 3 155.021 25.012 -6.346 1.00 1.00 H new ATOM 0 HH21 ARG A 3 153.358 23.548 -3.646 1.00 1.00 H new ATOM 0 HH22 ARG A 3 154.566 24.732 -4.155 1.00 1.00 H new ATOM 59 N ARG A 4 150.009 26.060 -9.321 1.00 1.00 N ATOM 60 CA ARG A 4 150.447 27.454 -9.378 1.00 1.00 C ATOM 61 C ARG A 4 150.678 28.027 -7.985 1.00 1.00 C ATOM 62 O ARG A 4 150.001 27.664 -7.024 1.00 1.00 O ATOM 63 CB ARG A 4 149.407 28.302 -10.109 1.00 1.00 C ATOM 64 CG ARG A 4 149.373 27.901 -11.582 1.00 1.00 C ATOM 65 CD ARG A 4 148.271 28.680 -12.297 1.00 1.00 C ATOM 66 NE ARG A 4 148.590 30.103 -12.321 1.00 1.00 N ATOM 67 CZ ARG A 4 147.700 30.998 -12.734 1.00 1.00 C ATOM 68 NH1 ARG A 4 146.503 30.615 -13.088 1.00 1.00 N ATOM 69 NH2 ARG A 4 148.020 32.262 -12.778 1.00 1.00 N ATOM 0 H ARG A 4 149.257 25.876 -8.657 1.00 1.00 H new ATOM 0 HA ARG A 4 151.392 27.479 -9.920 1.00 1.00 H new ATOM 0 HB2 ARG A 4 148.424 28.160 -9.659 1.00 1.00 H new ATOM 0 HB3 ARG A 4 149.652 29.360 -10.014 1.00 1.00 H new ATOM 0 HG2 ARG A 4 150.337 28.104 -12.048 1.00 1.00 H new ATOM 0 HG3 ARG A 4 149.194 26.830 -11.674 1.00 1.00 H new ATOM 0 HD2 ARG A 4 148.156 28.309 -13.315 1.00 1.00 H new ATOM 0 HD3 ARG A 4 147.318 28.523 -11.791 1.00 1.00 H new ATOM 0 HE ARG A 4 149.512 30.416 -12.016 1.00 1.00 H new ATOM 0 HH11 ARG A 4 146.251 29.628 -13.047 1.00 1.00 H new ATOM 0 HH12 ARG A 4 145.820 31.303 -13.405 1.00 1.00 H new ATOM 0 HH21 ARG A 4 148.953 32.562 -12.495 1.00 1.00 H new ATOM 0 HH22 ARG A 4 147.337 32.950 -13.095 1.00 1.00 H new ATOM 83 N ALA A 5 151.640 28.939 -7.898 1.00 1.00 N ATOM 84 CA ALA A 5 151.969 29.589 -6.636 1.00 1.00 C ATOM 85 C ALA A 5 152.363 31.039 -6.897 1.00 1.00 C ATOM 86 O ALA A 5 153.124 31.325 -7.821 1.00 1.00 O ATOM 87 CB ALA A 5 153.125 28.853 -5.956 1.00 1.00 C ATOM 0 H ALA A 5 152.207 29.245 -8.689 1.00 1.00 H new ATOM 0 HA ALA A 5 151.098 29.563 -5.981 1.00 1.00 H new ATOM 0 HB1 ALA A 5 153.365 29.345 -5.013 1.00 1.00 H new ATOM 0 HB2 ALA A 5 152.835 27.820 -5.763 1.00 1.00 H new ATOM 0 HB3 ALA A 5 153.999 28.869 -6.607 1.00 1.00 H new ATOM 93 N SER A 6 151.842 31.955 -6.086 1.00 1.00 N ATOM 94 CA SER A 6 152.154 33.370 -6.259 1.00 1.00 C ATOM 95 C SER A 6 153.645 33.613 -6.081 1.00 1.00 C ATOM 96 O SER A 6 154.269 34.327 -6.867 1.00 1.00 O ATOM 97 CB SER A 6 151.378 34.208 -5.245 1.00 1.00 C ATOM 98 OG SER A 6 151.708 35.579 -5.422 1.00 1.00 O ATOM 0 H SER A 6 151.210 31.747 -5.313 1.00 1.00 H new ATOM 0 HA SER A 6 151.864 33.663 -7.268 1.00 1.00 H new ATOM 0 HB2 SER A 6 150.306 34.060 -5.377 1.00 1.00 H new ATOM 0 HB3 SER A 6 151.621 33.891 -4.231 1.00 1.00 H new ATOM 0 HG SER A 6 151.211 36.121 -4.774 1.00 1.00 H new ATOM 104 N GLY A 7 154.206 33.011 -5.044 1.00 1.00 N ATOM 105 CA GLY A 7 155.624 33.159 -4.761 1.00 1.00 C ATOM 106 C GLY A 7 156.035 32.259 -3.604 1.00 1.00 C ATOM 107 O GLY A 7 155.202 31.581 -3.004 1.00 1.00 O ATOM 0 H GLY A 7 153.702 32.417 -4.386 1.00 1.00 H new ATOM 0 HA2 GLY A 7 156.206 32.909 -5.648 1.00 1.00 H new ATOM 0 HA3 GLY A 7 155.845 34.198 -4.517 1.00 1.00 H new ATOM 111 N GLU A 8 157.322 32.262 -3.299 1.00 1.00 N ATOM 112 CA GLU A 8 157.847 31.446 -2.215 1.00 1.00 C ATOM 113 C GLU A 8 157.286 31.910 -0.872 1.00 1.00 C ATOM 114 O GLU A 8 157.099 31.110 0.044 1.00 1.00 O ATOM 115 CB GLU A 8 159.371 31.548 -2.205 1.00 1.00 C ATOM 116 CG GLU A 8 159.950 30.637 -1.124 1.00 1.00 C ATOM 117 CD GLU A 8 161.471 30.712 -1.157 1.00 1.00 C ATOM 118 OE1 GLU A 8 161.994 31.251 -2.119 1.00 1.00 O ATOM 119 OE2 GLU A 8 162.091 30.225 -0.228 1.00 1.00 O ATOM 0 H GLU A 8 158.023 32.820 -3.786 1.00 1.00 H new ATOM 0 HA GLU A 8 157.547 30.410 -2.371 1.00 1.00 H new ATOM 0 HB2 GLU A 8 159.769 31.267 -3.180 1.00 1.00 H new ATOM 0 HB3 GLU A 8 159.673 32.579 -2.023 1.00 1.00 H new ATOM 0 HG2 GLU A 8 159.582 30.939 -0.144 1.00 1.00 H new ATOM 0 HG3 GLU A 8 159.622 29.610 -1.285 1.00 1.00 H new ATOM 126 N ASN A 9 157.026 33.207 -0.764 1.00 1.00 N ATOM 127 CA ASN A 9 156.494 33.774 0.472 1.00 1.00 C ATOM 128 C ASN A 9 155.130 33.175 0.803 1.00 1.00 C ATOM 129 O ASN A 9 154.852 32.857 1.961 1.00 1.00 O ATOM 130 CB ASN A 9 156.383 35.293 0.327 1.00 1.00 C ATOM 131 CG ASN A 9 157.767 35.925 0.460 1.00 1.00 C ATOM 132 OD1 ASN A 9 158.688 35.301 0.984 1.00 1.00 O ATOM 133 ND2 ASN A 9 157.971 37.132 0.011 1.00 1.00 N ATOM 0 H ASN A 9 157.173 33.884 -1.512 1.00 1.00 H new ATOM 0 HA ASN A 9 157.174 33.535 1.290 1.00 1.00 H new ATOM 0 HB2 ASN A 9 155.949 35.545 -0.641 1.00 1.00 H new ATOM 0 HB3 ASN A 9 155.715 35.693 1.090 1.00 1.00 H new ATOM 0 HD21 ASN A 9 158.894 37.558 0.094 1.00 1.00 H new ATOM 0 HD22 ASN A 9 157.208 37.650 -0.424 1.00 1.00 H new ATOM 140 N LEU A 10 154.291 33.012 -0.216 1.00 1.00 N ATOM 141 CA LEU A 10 152.963 32.435 -0.022 1.00 1.00 C ATOM 142 C LEU A 10 152.796 31.195 -0.894 1.00 1.00 C ATOM 143 O LEU A 10 153.047 31.234 -2.098 1.00 1.00 O ATOM 144 CB LEU A 10 151.881 33.462 -0.374 1.00 1.00 C ATOM 145 CG LEU A 10 150.488 32.898 -0.055 1.00 1.00 C ATOM 146 CD1 LEU A 10 150.357 32.622 1.446 1.00 1.00 C ATOM 147 CD2 LEU A 10 149.422 33.911 -0.477 1.00 1.00 C ATOM 0 H LEU A 10 154.505 33.269 -1.180 1.00 1.00 H new ATOM 0 HA LEU A 10 152.858 32.153 1.026 1.00 1.00 H new ATOM 0 HB2 LEU A 10 152.046 34.382 0.188 1.00 1.00 H new ATOM 0 HB3 LEU A 10 151.944 33.719 -1.431 1.00 1.00 H new ATOM 0 HG LEU A 10 150.351 31.964 -0.601 1.00 1.00 H new ATOM 0 HD11 LEU A 10 149.365 32.223 1.657 1.00 1.00 H new ATOM 0 HD12 LEU A 10 151.112 31.897 1.750 1.00 1.00 H new ATOM 0 HD13 LEU A 10 150.500 33.549 2.000 1.00 1.00 H new ATOM 0 HD21 LEU A 10 148.433 33.513 -0.252 1.00 1.00 H new ATOM 0 HD22 LEU A 10 149.571 34.844 0.067 1.00 1.00 H new ATOM 0 HD23 LEU A 10 149.502 34.099 -1.548 1.00 1.00 H new ATOM 159 N GLN A 11 152.372 30.097 -0.277 1.00 1.00 N ATOM 160 CA GLN A 11 152.175 28.847 -1.004 1.00 1.00 C ATOM 161 C GLN A 11 150.831 28.222 -0.642 1.00 1.00 C ATOM 162 O GLN A 11 150.242 28.549 0.389 1.00 1.00 O ATOM 163 CB GLN A 11 153.287 27.855 -0.657 1.00 1.00 C ATOM 164 CG GLN A 11 154.627 28.358 -1.192 1.00 1.00 C ATOM 165 CD GLN A 11 155.747 27.442 -0.712 1.00 1.00 C ATOM 166 OE1 GLN A 11 155.485 26.420 -0.076 1.00 1.00 O ATOM 167 NE2 GLN A 11 156.988 27.750 -0.973 1.00 1.00 N ATOM 0 H GLN A 11 152.159 30.046 0.719 1.00 1.00 H new ATOM 0 HA GLN A 11 152.196 29.070 -2.071 1.00 1.00 H new ATOM 0 HB2 GLN A 11 153.344 27.725 0.424 1.00 1.00 H new ATOM 0 HB3 GLN A 11 153.060 26.878 -1.084 1.00 1.00 H new ATOM 0 HG2 GLN A 11 154.608 28.385 -2.281 1.00 1.00 H new ATOM 0 HG3 GLN A 11 154.806 29.378 -0.851 1.00 1.00 H new ATOM 0 HE21 GLN A 11 157.203 28.596 -1.500 1.00 1.00 H new ATOM 0 HE22 GLN A 11 157.743 27.144 -0.650 1.00 1.00 H new ATOM 176 N GLN A 12 150.367 27.309 -1.490 1.00 1.00 N ATOM 177 CA GLN A 12 149.105 26.615 -1.250 1.00 1.00 C ATOM 178 C GLN A 12 149.376 25.133 -1.011 1.00 1.00 C ATOM 179 O GLN A 12 150.049 24.483 -1.812 1.00 1.00 O ATOM 180 CB GLN A 12 148.169 26.781 -2.451 1.00 1.00 C ATOM 181 CG GLN A 12 147.708 28.238 -2.547 1.00 1.00 C ATOM 182 CD GLN A 12 146.794 28.415 -3.754 1.00 1.00 C ATOM 183 OE1 GLN A 12 146.451 27.441 -4.423 1.00 1.00 O ATOM 184 NE2 GLN A 12 146.371 29.609 -4.076 1.00 1.00 N ATOM 0 H GLN A 12 150.844 27.033 -2.348 1.00 1.00 H new ATOM 0 HA GLN A 12 148.626 27.046 -0.371 1.00 1.00 H new ATOM 0 HB2 GLN A 12 148.682 26.491 -3.368 1.00 1.00 H new ATOM 0 HB3 GLN A 12 147.307 26.123 -2.346 1.00 1.00 H new ATOM 0 HG2 GLN A 12 147.181 28.522 -1.636 1.00 1.00 H new ATOM 0 HG3 GLN A 12 148.572 28.897 -2.634 1.00 1.00 H new ATOM 0 HE21 GLN A 12 146.655 30.417 -3.522 1.00 1.00 H new ATOM 0 HE22 GLN A 12 145.757 29.733 -4.881 1.00 1.00 H new ATOM 193 N THR A 13 148.863 24.607 0.100 1.00 1.00 N ATOM 194 CA THR A 13 149.074 23.200 0.441 1.00 1.00 C ATOM 195 C THR A 13 147.758 22.516 0.806 1.00 1.00 C ATOM 196 O THR A 13 146.758 23.178 1.082 1.00 1.00 O ATOM 197 CB THR A 13 150.054 23.096 1.614 1.00 1.00 C ATOM 198 OG1 THR A 13 149.509 23.766 2.744 1.00 1.00 O ATOM 199 CG2 THR A 13 151.388 23.737 1.228 1.00 1.00 C ATOM 0 H THR A 13 148.303 25.128 0.775 1.00 1.00 H new ATOM 0 HA THR A 13 149.488 22.695 -0.432 1.00 1.00 H new ATOM 0 HB THR A 13 150.219 22.047 1.859 1.00 1.00 H new ATOM 0 HG1 THR A 13 150.133 23.699 3.496 1.00 1.00 H new ATOM 0 HG21 THR A 13 152.083 23.662 2.064 1.00 1.00 H new ATOM 0 HG22 THR A 13 151.803 23.220 0.363 1.00 1.00 H new ATOM 0 HG23 THR A 13 151.229 24.787 0.981 1.00 1.00 H new ATOM 207 N ARG A 14 147.767 21.182 0.796 1.00 1.00 N ATOM 208 CA ARG A 14 146.568 20.409 1.119 1.00 1.00 C ATOM 209 C ARG A 14 146.901 19.232 2.038 1.00 1.00 C ATOM 210 O ARG A 14 146.705 18.074 1.671 1.00 1.00 O ATOM 211 CB ARG A 14 145.937 19.876 -0.170 1.00 1.00 C ATOM 212 CG ARG A 14 147.040 19.418 -1.126 1.00 1.00 C ATOM 213 CD ARG A 14 146.415 18.686 -2.313 1.00 1.00 C ATOM 214 NE ARG A 14 146.326 17.257 -2.034 1.00 1.00 N ATOM 215 CZ ARG A 14 145.639 16.447 -2.831 1.00 1.00 C ATOM 216 NH1 ARG A 14 145.041 16.926 -3.887 1.00 1.00 N ATOM 217 NH2 ARG A 14 145.565 15.172 -2.559 1.00 1.00 N ATOM 0 H ARG A 14 148.586 20.618 0.569 1.00 1.00 H new ATOM 0 HA ARG A 14 145.869 21.067 1.635 1.00 1.00 H new ATOM 0 HB2 ARG A 14 145.269 19.045 0.056 1.00 1.00 H new ATOM 0 HB3 ARG A 14 145.333 20.652 -0.640 1.00 1.00 H new ATOM 0 HG2 ARG A 14 147.613 20.277 -1.476 1.00 1.00 H new ATOM 0 HG3 ARG A 14 147.737 18.761 -0.606 1.00 1.00 H new ATOM 0 HD2 ARG A 14 145.422 19.087 -2.515 1.00 1.00 H new ATOM 0 HD3 ARG A 14 147.014 18.852 -3.208 1.00 1.00 H new ATOM 0 HE ARG A 14 146.798 16.874 -1.215 1.00 1.00 H new ATOM 0 HH11 ARG A 14 145.101 17.922 -4.100 1.00 1.00 H new ATOM 0 HH12 ARG A 14 144.513 16.305 -4.500 1.00 1.00 H new ATOM 0 HH21 ARG A 14 146.035 14.798 -1.734 1.00 1.00 H new ATOM 0 HH22 ARG A 14 145.037 14.550 -3.171 1.00 1.00 H new ATOM 231 N PRO A 15 147.396 19.506 3.216 1.00 1.00 N ATOM 232 CA PRO A 15 147.757 18.442 4.199 1.00 1.00 C ATOM 233 C PRO A 15 146.524 17.738 4.763 1.00 1.00 C ATOM 234 O PRO A 15 146.616 16.623 5.279 1.00 1.00 O ATOM 235 CB PRO A 15 148.523 19.189 5.293 1.00 1.00 C ATOM 236 CG PRO A 15 148.097 20.617 5.188 1.00 1.00 C ATOM 237 CD PRO A 15 147.655 20.854 3.742 1.00 1.00 C ATOM 0 HA PRO A 15 148.346 17.647 3.742 1.00 1.00 H new ATOM 0 HB2 PRO A 15 148.292 18.784 6.278 1.00 1.00 H new ATOM 0 HB3 PRO A 15 149.599 19.091 5.153 1.00 1.00 H new ATOM 0 HG2 PRO A 15 147.280 20.826 5.879 1.00 1.00 H new ATOM 0 HG3 PRO A 15 148.918 21.284 5.453 1.00 1.00 H new ATOM 0 HD2 PRO A 15 146.762 21.477 3.696 1.00 1.00 H new ATOM 0 HD3 PRO A 15 148.429 21.363 3.168 1.00 1.00 H new ATOM 245 N ILE A 16 145.373 18.399 4.658 1.00 1.00 N ATOM 246 CA ILE A 16 144.121 17.833 5.157 1.00 1.00 C ATOM 247 C ILE A 16 143.032 17.946 4.093 1.00 1.00 C ATOM 248 O ILE A 16 142.770 19.032 3.578 1.00 1.00 O ATOM 249 CB ILE A 16 143.684 18.577 6.421 1.00 1.00 C ATOM 250 CG1 ILE A 16 142.457 17.884 7.024 1.00 1.00 C ATOM 251 CG2 ILE A 16 143.330 20.024 6.063 1.00 1.00 C ATOM 252 CD1 ILE A 16 142.180 18.450 8.420 1.00 1.00 C ATOM 0 H ILE A 16 145.281 19.322 4.234 1.00 1.00 H new ATOM 0 HA ILE A 16 144.279 16.781 5.393 1.00 1.00 H new ATOM 0 HB ILE A 16 144.497 18.570 7.147 1.00 1.00 H new ATOM 0 HG12 ILE A 16 141.590 18.034 6.381 1.00 1.00 H new ATOM 0 HG13 ILE A 16 142.627 16.809 7.084 1.00 1.00 H new ATOM 0 HG21 ILE A 16 143.018 20.555 6.962 1.00 1.00 H new ATOM 0 HG22 ILE A 16 144.203 20.517 5.634 1.00 1.00 H new ATOM 0 HG23 ILE A 16 142.517 20.031 5.337 1.00 1.00 H new ATOM 0 HD11 ILE A 16 141.307 17.956 8.846 1.00 1.00 H new ATOM 0 HD12 ILE A 16 143.044 18.277 9.061 1.00 1.00 H new ATOM 0 HD13 ILE A 16 141.991 19.521 8.347 1.00 1.00 H new ATOM 264 N ALA A 17 142.400 16.821 3.767 1.00 1.00 N ATOM 265 CA ALA A 17 141.341 16.816 2.759 1.00 1.00 C ATOM 266 C ALA A 17 140.427 15.609 2.940 1.00 1.00 C ATOM 267 O ALA A 17 139.609 15.305 2.070 1.00 1.00 O ATOM 268 CB ALA A 17 141.952 16.777 1.359 1.00 1.00 C ATOM 0 H ALA A 17 142.599 15.910 4.180 1.00 1.00 H new ATOM 0 HA ALA A 17 140.754 17.726 2.880 1.00 1.00 H new ATOM 0 HB1 ALA A 17 141.156 16.773 0.615 1.00 1.00 H new ATOM 0 HB2 ALA A 17 142.582 17.654 1.212 1.00 1.00 H new ATOM 0 HB3 ALA A 17 142.555 15.875 1.250 1.00 1.00 H new ATOM 274 N ALA A 18 140.573 14.922 4.064 1.00 1.00 N ATOM 275 CA ALA A 18 139.757 13.745 4.336 1.00 1.00 C ATOM 276 C ALA A 18 138.282 14.123 4.474 1.00 1.00 C ATOM 277 O ALA A 18 137.403 13.382 4.029 1.00 1.00 O ATOM 278 CB ALA A 18 140.245 13.055 5.610 1.00 1.00 C ATOM 0 H ALA A 18 141.242 15.156 4.797 1.00 1.00 H new ATOM 0 HA ALA A 18 139.855 13.057 3.496 1.00 1.00 H new ATOM 0 HB1 ALA A 18 139.630 12.177 5.806 1.00 1.00 H new ATOM 0 HB2 ALA A 18 141.284 12.750 5.484 1.00 1.00 H new ATOM 0 HB3 ALA A 18 140.169 13.746 6.450 1.00 1.00 H new ATOM 284 N ALA A 19 138.009 15.274 5.085 1.00 1.00 N ATOM 285 CA ALA A 19 136.628 15.717 5.261 1.00 1.00 C ATOM 286 C ALA A 19 135.966 15.940 3.907 1.00 1.00 C ATOM 287 O ALA A 19 136.580 16.474 2.982 1.00 1.00 O ATOM 288 CB ALA A 19 136.581 17.017 6.067 1.00 1.00 C ATOM 0 H ALA A 19 138.714 15.908 5.461 1.00 1.00 H new ATOM 0 HA ALA A 19 136.089 14.940 5.803 1.00 1.00 H new ATOM 0 HB1 ALA A 19 135.545 17.333 6.189 1.00 1.00 H new ATOM 0 HB2 ALA A 19 137.028 16.853 7.048 1.00 1.00 H new ATOM 0 HB3 ALA A 19 137.137 17.792 5.540 1.00 1.00 H new ATOM 294 N ASN A 20 134.711 15.524 3.802 1.00 1.00 N ATOM 295 CA ASN A 20 133.961 15.671 2.563 1.00 1.00 C ATOM 296 C ASN A 20 132.471 15.729 2.873 1.00 1.00 C ATOM 297 O ASN A 20 132.057 16.334 3.862 1.00 1.00 O ATOM 298 CB ASN A 20 134.261 14.487 1.640 1.00 1.00 C ATOM 299 CG ASN A 20 135.762 14.392 1.393 1.00 1.00 C ATOM 300 OD1 ASN A 20 136.373 15.341 0.902 1.00 1.00 O ATOM 301 ND2 ASN A 20 136.395 13.297 1.714 1.00 1.00 N ATOM 0 H ASN A 20 134.191 15.082 4.560 1.00 1.00 H new ATOM 0 HA ASN A 20 134.256 16.594 2.064 1.00 1.00 H new ATOM 0 HB2 ASN A 20 133.898 13.563 2.089 1.00 1.00 H new ATOM 0 HB3 ASN A 20 133.734 14.609 0.693 1.00 1.00 H new ATOM 0 HD21 ASN A 20 137.400 13.225 1.558 1.00 1.00 H new ATOM 0 HD22 ASN A 20 135.884 12.513 2.121 1.00 1.00 H new ATOM 308 N LEU A 21 131.668 15.111 2.021 1.00 1.00 N ATOM 309 CA LEU A 21 130.222 15.101 2.195 1.00 1.00 C ATOM 310 C LEU A 21 129.814 14.114 3.283 1.00 1.00 C ATOM 311 O LEU A 21 130.327 12.999 3.363 1.00 1.00 O ATOM 312 CB LEU A 21 129.558 14.694 0.885 1.00 1.00 C ATOM 313 CG LEU A 21 128.055 15.010 0.940 1.00 1.00 C ATOM 314 CD1 LEU A 21 127.815 16.526 0.853 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.339 14.336 -0.233 1.00 1.00 C ATOM 0 H LEU A 21 131.995 14.607 1.197 1.00 1.00 H new ATOM 0 HA LEU A 21 129.903 16.101 2.488 1.00 1.00 H new ATOM 0 HB2 LEU A 21 130.020 15.225 0.053 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.708 13.629 0.706 1.00 1.00 H new ATOM 0 HG LEU A 21 127.665 14.635 1.886 1.00 1.00 H new ATOM 0 HD11 LEU A 21 126.745 16.728 0.894 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.310 17.021 1.689 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.220 16.905 -0.085 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.274 14.564 -0.189 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.750 14.707 -1.172 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.482 13.257 -0.175 1.00 1.00 H new ATOM 327 N GLN A 22 128.869 14.550 4.105 1.00 1.00 N ATOM 328 CA GLN A 22 128.358 13.722 5.189 1.00 1.00 C ATOM 329 C GLN A 22 126.980 13.179 4.819 1.00 1.00 C ATOM 330 O GLN A 22 125.999 13.922 4.810 1.00 1.00 O ATOM 331 CB GLN A 22 128.241 14.567 6.451 1.00 1.00 C ATOM 332 CG GLN A 22 129.599 15.188 6.756 1.00 1.00 C ATOM 333 CD GLN A 22 129.493 16.098 7.974 1.00 1.00 C ATOM 334 OE1 GLN A 22 128.731 17.066 7.963 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.216 15.846 9.029 1.00 1.00 N ATOM 0 H GLN A 22 128.440 15.473 4.042 1.00 1.00 H new ATOM 0 HA GLN A 22 129.040 12.889 5.361 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.492 15.347 6.315 1.00 1.00 H new ATOM 0 HB3 GLN A 22 127.911 13.951 7.288 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.334 14.404 6.940 1.00 1.00 H new ATOM 0 HG3 GLN A 22 129.949 15.758 5.895 1.00 1.00 H new ATOM 0 HE21 GLN A 22 130.846 15.044 9.036 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.152 16.451 9.848 1.00 1.00 H new ATOM 344 N TRP A 23 126.906 11.885 4.528 1.00 1.00 N ATOM 345 CA TRP A 23 125.624 11.283 4.180 1.00 1.00 C ATOM 346 C TRP A 23 124.851 10.956 5.455 1.00 1.00 C ATOM 347 O TRP A 23 125.414 10.493 6.448 1.00 1.00 O ATOM 348 CB TRP A 23 125.839 10.010 3.357 1.00 1.00 C ATOM 349 CG TRP A 23 126.830 10.274 2.264 1.00 1.00 C ATOM 350 CD1 TRP A 23 127.201 11.498 1.816 1.00 1.00 C ATOM 351 CD2 TRP A 23 127.581 9.309 1.475 1.00 1.00 C ATOM 352 NE1 TRP A 23 128.130 11.339 0.804 1.00 1.00 N ATOM 353 CE2 TRP A 23 128.397 10.011 0.560 1.00 1.00 C ATOM 354 CE3 TRP A 23 127.634 7.905 1.466 1.00 1.00 C ATOM 355 CZ2 TRP A 23 129.236 9.348 -0.332 1.00 1.00 C ATOM 356 CZ3 TRP A 23 128.478 7.231 0.567 1.00 1.00 C ATOM 357 CH2 TRP A 23 129.278 7.952 -0.330 1.00 1.00 C ATOM 0 H TRP A 23 127.700 11.244 4.525 1.00 1.00 H new ATOM 0 HA TRP A 23 125.051 11.990 3.581 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.198 9.207 4.000 1.00 1.00 H new ATOM 0 HB3 TRP A 23 124.893 9.678 2.930 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.832 12.442 2.188 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.564 12.112 0.300 1.00 1.00 H new ATOM 0 HE3 TRP A 23 127.022 7.340 2.154 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 129.850 9.909 -1.021 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 128.510 6.151 0.567 1.00 1.00 H new ATOM 0 HH2 TRP A 23 129.926 7.429 -1.018 1.00 1.00 H new ATOM 368 N GLU A 24 123.542 11.184 5.389 1.00 1.00 N ATOM 369 CA GLU A 24 122.645 10.903 6.508 1.00 1.00 C ATOM 370 C GLU A 24 121.582 9.912 6.046 1.00 1.00 C ATOM 371 O GLU A 24 121.388 9.724 4.845 1.00 1.00 O ATOM 372 CB GLU A 24 121.968 12.188 6.988 1.00 1.00 C ATOM 373 CG GLU A 24 123.017 13.162 7.532 1.00 1.00 C ATOM 374 CD GLU A 24 123.680 13.916 6.384 1.00 1.00 C ATOM 375 OE1 GLU A 24 123.396 13.592 5.243 1.00 1.00 O ATOM 376 OE2 GLU A 24 124.454 14.816 6.663 1.00 1.00 O ATOM 0 H GLU A 24 123.075 11.565 4.566 1.00 1.00 H new ATOM 0 HA GLU A 24 123.220 10.485 7.334 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.423 12.650 6.165 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.238 11.956 7.764 1.00 1.00 H new ATOM 0 HG2 GLU A 24 122.548 13.868 8.218 1.00 1.00 H new ATOM 0 HG3 GLU A 24 123.770 12.617 8.102 1.00 1.00 H new ATOM 383 N SER A 25 120.898 9.280 6.994 1.00 1.00 N ATOM 384 CA SER A 25 119.871 8.323 6.639 1.00 1.00 C ATOM 385 C SER A 25 118.585 9.056 6.305 1.00 1.00 C ATOM 386 O SER A 25 118.413 10.217 6.671 1.00 1.00 O ATOM 387 CB SER A 25 119.627 7.349 7.787 1.00 1.00 C ATOM 388 OG SER A 25 118.664 7.901 8.668 1.00 1.00 O ATOM 0 H SER A 25 121.036 9.413 7.996 1.00 1.00 H new ATOM 0 HA SER A 25 120.205 7.758 5.769 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.277 6.392 7.400 1.00 1.00 H new ATOM 0 HB3 SER A 25 120.558 7.156 8.321 1.00 1.00 H new ATOM 0 HG SER A 25 117.868 7.330 8.681 1.00 1.00 H new ATOM 394 N TYR A 26 117.681 8.370 5.632 1.00 1.00 N ATOM 395 CA TYR A 26 116.406 8.953 5.267 1.00 1.00 C ATOM 396 C TYR A 26 115.638 9.360 6.508 1.00 1.00 C ATOM 397 O TYR A 26 115.068 10.450 6.583 1.00 1.00 O ATOM 398 CB TYR A 26 115.583 7.925 4.489 1.00 1.00 C ATOM 399 CG TYR A 26 114.132 8.342 4.465 1.00 1.00 C ATOM 400 CD1 TYR A 26 113.676 9.276 3.528 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.235 7.778 5.382 1.00 1.00 C ATOM 402 CE1 TYR A 26 112.324 9.646 3.511 1.00 1.00 C ATOM 403 CE2 TYR A 26 111.885 8.147 5.363 1.00 1.00 C ATOM 404 CZ TYR A 26 111.429 9.081 4.428 1.00 1.00 C ATOM 405 OH TYR A 26 110.098 9.444 4.406 1.00 1.00 O ATOM 0 H TYR A 26 117.808 7.405 5.326 1.00 1.00 H new ATOM 0 HA TYR A 26 116.586 9.835 4.652 1.00 1.00 H new ATOM 0 HB2 TYR A 26 115.962 7.837 3.471 1.00 1.00 H new ATOM 0 HB3 TYR A 26 115.681 6.943 4.951 1.00 1.00 H new ATOM 0 HD1 TYR A 26 114.365 9.711 2.819 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.586 7.057 6.105 1.00 1.00 H new ATOM 0 HE1 TYR A 26 111.972 10.368 2.789 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.196 7.710 6.071 1.00 1.00 H new ATOM 0 HH TYR A 26 109.615 8.959 5.107 1.00 1.00 H new ATOM 415 N ALA A 27 115.629 8.454 7.470 1.00 1.00 N ATOM 416 CA ALA A 27 114.927 8.692 8.713 1.00 1.00 C ATOM 417 C ALA A 27 115.612 9.781 9.510 1.00 1.00 C ATOM 418 O ALA A 27 114.959 10.604 10.150 1.00 1.00 O ATOM 419 CB ALA A 27 114.850 7.401 9.531 1.00 1.00 C ATOM 0 H ALA A 27 116.099 7.551 7.412 1.00 1.00 H new ATOM 0 HA ALA A 27 113.914 9.021 8.482 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.320 7.592 10.464 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.318 6.640 8.961 1.00 1.00 H new ATOM 0 HB3 ALA A 27 115.858 7.050 9.752 1.00 1.00 H new ATOM 425 N GLU A 28 116.926 9.776 9.477 1.00 1.00 N ATOM 426 CA GLU A 28 117.700 10.756 10.205 1.00 1.00 C ATOM 427 C GLU A 28 117.580 12.137 9.583 1.00 1.00 C ATOM 428 O GLU A 28 117.513 13.140 10.292 1.00 1.00 O ATOM 429 CB GLU A 28 119.151 10.312 10.233 1.00 1.00 C ATOM 430 CG GLU A 28 119.298 9.106 11.168 1.00 1.00 C ATOM 431 CD GLU A 28 119.125 9.544 12.618 1.00 1.00 C ATOM 432 OE1 GLU A 28 119.312 10.718 12.886 1.00 1.00 O ATOM 433 OE2 GLU A 28 118.814 8.698 13.439 1.00 1.00 O ATOM 0 H GLU A 28 117.482 9.102 8.952 1.00 1.00 H new ATOM 0 HA GLU A 28 117.312 10.826 11.221 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.482 10.049 9.228 1.00 1.00 H new ATOM 0 HB3 GLU A 28 119.786 11.130 10.574 1.00 1.00 H new ATOM 0 HG2 GLU A 28 118.555 8.349 10.917 1.00 1.00 H new ATOM 0 HG3 GLU A 28 120.278 8.648 11.033 1.00 1.00 H new ATOM 440 N ALA A 29 117.556 12.193 8.256 1.00 1.00 N ATOM 441 CA ALA A 29 117.451 13.466 7.563 1.00 1.00 C ATOM 442 C ALA A 29 116.187 14.187 7.941 1.00 1.00 C ATOM 443 O ALA A 29 116.181 15.393 8.188 1.00 1.00 O ATOM 444 CB ALA A 29 117.386 13.225 6.064 1.00 1.00 C ATOM 0 H ALA A 29 117.607 11.378 7.645 1.00 1.00 H new ATOM 0 HA ALA A 29 118.321 14.061 7.840 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.307 14.180 5.545 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.289 12.709 5.739 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.515 12.613 5.831 1.00 1.00 H new ATOM 450 N LEU A 30 115.117 13.438 7.955 1.00 1.00 N ATOM 451 CA LEU A 30 113.830 13.985 8.263 1.00 1.00 C ATOM 452 C LEU A 30 113.810 14.501 9.679 1.00 1.00 C ATOM 453 O LEU A 30 113.282 15.570 9.957 1.00 1.00 O ATOM 454 CB LEU A 30 112.796 12.893 8.076 1.00 1.00 C ATOM 455 CG LEU A 30 112.534 12.732 6.582 1.00 1.00 C ATOM 456 CD1 LEU A 30 111.994 11.336 6.318 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.495 13.757 6.109 1.00 1.00 C ATOM 0 H LEU A 30 115.116 12.438 7.754 1.00 1.00 H new ATOM 0 HA LEU A 30 113.606 14.822 7.601 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.153 11.955 8.502 1.00 1.00 H new ATOM 0 HB3 LEU A 30 111.874 13.150 8.598 1.00 1.00 H new ATOM 0 HG LEU A 30 113.468 12.889 6.042 1.00 1.00 H new ATOM 0 HD11 LEU A 30 111.805 11.215 5.251 1.00 1.00 H new ATOM 0 HD12 LEU A 30 112.725 10.596 6.643 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.065 11.195 6.870 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.318 13.630 5.041 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.562 13.606 6.652 1.00 1.00 H new ATOM 0 HD23 LEU A 30 111.866 14.764 6.298 1.00 1.00 H new ATOM 469 N GLU A 31 114.408 13.737 10.570 1.00 1.00 N ATOM 470 CA GLU A 31 114.463 14.118 11.944 1.00 1.00 C ATOM 471 C GLU A 31 115.231 15.399 12.106 1.00 1.00 C ATOM 472 O GLU A 31 114.829 16.293 12.839 1.00 1.00 O ATOM 473 CB GLU A 31 115.154 13.030 12.754 1.00 1.00 C ATOM 474 CG GLU A 31 114.103 12.283 13.538 1.00 1.00 C ATOM 475 CD GLU A 31 114.726 11.103 14.274 1.00 1.00 C ATOM 476 OE1 GLU A 31 115.934 10.952 14.198 1.00 1.00 O ATOM 477 OE2 GLU A 31 113.987 10.366 14.905 1.00 1.00 O ATOM 0 H GLU A 31 114.860 12.848 10.355 1.00 1.00 H new ATOM 0 HA GLU A 31 113.443 14.260 12.300 1.00 1.00 H new ATOM 0 HB2 GLU A 31 115.691 12.349 12.094 1.00 1.00 H new ATOM 0 HB3 GLU A 31 115.890 13.468 13.428 1.00 1.00 H new ATOM 0 HG2 GLU A 31 113.627 12.955 14.252 1.00 1.00 H new ATOM 0 HG3 GLU A 31 113.322 11.929 12.865 1.00 1.00 H new ATOM 484 N HIS A 32 116.352 15.472 11.417 1.00 1.00 N ATOM 485 CA HIS A 32 117.174 16.647 11.506 1.00 1.00 C ATOM 486 C HIS A 32 116.473 17.845 10.857 1.00 1.00 C ATOM 487 O HIS A 32 116.498 18.954 11.392 1.00 1.00 O ATOM 488 CB HIS A 32 118.521 16.396 10.827 1.00 1.00 C ATOM 489 CG HIS A 32 119.488 15.809 11.819 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.609 14.441 12.010 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.389 16.388 12.679 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.551 14.244 12.952 1.00 1.00 C ATOM 493 NE2 HIS A 32 121.059 15.398 13.392 1.00 1.00 N ATOM 0 H HIS A 32 116.705 14.740 10.800 1.00 1.00 H new ATOM 0 HA HIS A 32 117.342 16.874 12.559 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.393 15.717 9.984 1.00 1.00 H new ATOM 0 HB3 HIS A 32 118.917 17.329 10.427 1.00 1.00 H new ATOM 0 HD1 HIS A 32 119.081 13.716 11.525 1.00 1.00 H new ATOM 0 HD2 HIS A 32 120.553 17.450 12.786 1.00 1.00 H new ATOM 0 HE1 HIS A 32 120.858 13.272 13.308 1.00 1.00 H new ATOM 501 N SER A 33 115.886 17.623 9.680 1.00 1.00 N ATOM 502 CA SER A 33 115.219 18.690 8.939 1.00 1.00 C ATOM 503 C SER A 33 114.000 19.205 9.667 1.00 1.00 C ATOM 504 O SER A 33 113.672 20.389 9.595 1.00 1.00 O ATOM 505 CB SER A 33 114.808 18.182 7.565 1.00 1.00 C ATOM 506 OG SER A 33 115.981 18.001 6.808 1.00 1.00 O ATOM 0 H SER A 33 115.860 16.713 9.221 1.00 1.00 H new ATOM 0 HA SER A 33 115.926 19.514 8.841 1.00 1.00 H new ATOM 0 HB2 SER A 33 114.260 17.244 7.652 1.00 1.00 H new ATOM 0 HB3 SER A 33 114.144 18.895 7.077 1.00 1.00 H new ATOM 0 HG SER A 33 116.068 18.730 6.159 1.00 1.00 H new ATOM 512 N LYS A 34 113.331 18.318 10.375 1.00 1.00 N ATOM 513 CA LYS A 34 112.158 18.705 11.114 1.00 1.00 C ATOM 514 C LYS A 34 112.569 19.721 12.163 1.00 1.00 C ATOM 515 O LYS A 34 111.770 20.542 12.611 1.00 1.00 O ATOM 516 CB LYS A 34 111.506 17.464 11.711 1.00 1.00 C ATOM 517 CG LYS A 34 110.759 16.756 10.578 1.00 1.00 C ATOM 518 CD LYS A 34 110.443 15.311 10.965 1.00 1.00 C ATOM 519 CE LYS A 34 109.891 14.563 9.745 1.00 1.00 C ATOM 520 NZ LYS A 34 108.448 14.899 9.576 1.00 1.00 N ATOM 0 H LYS A 34 113.581 17.332 10.451 1.00 1.00 H new ATOM 0 HA LYS A 34 111.414 19.173 10.469 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.258 16.806 12.146 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.820 17.738 12.512 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.835 17.289 10.355 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.363 16.772 9.671 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.343 14.817 11.331 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.716 15.292 11.776 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.449 14.840 8.850 1.00 1.00 H new ATOM 0 HE3 LYS A 34 110.014 13.488 9.876 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 107.888 14.023 9.556 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 108.134 15.492 10.371 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.314 15.416 8.684 1.00 1.00 H new ATOM 534 N GLN A 35 113.831 19.619 12.573 1.00 1.00 N ATOM 535 CA GLN A 35 114.367 20.499 13.613 1.00 1.00 C ATOM 536 C GLN A 35 115.104 21.682 13.022 1.00 1.00 C ATOM 537 O GLN A 35 114.974 22.810 13.496 1.00 1.00 O ATOM 538 CB GLN A 35 115.359 19.727 14.474 1.00 1.00 C ATOM 539 CG GLN A 35 114.673 18.494 15.029 1.00 1.00 C ATOM 540 CD GLN A 35 113.646 18.882 16.082 1.00 1.00 C ATOM 541 OE1 GLN A 35 113.922 19.715 16.945 1.00 1.00 O ATOM 542 NE2 GLN A 35 112.467 18.323 16.063 1.00 1.00 N ATOM 0 H GLN A 35 114.499 18.941 12.205 1.00 1.00 H new ATOM 0 HA GLN A 35 113.521 20.857 14.200 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.228 19.440 13.882 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.721 20.356 15.288 1.00 1.00 H new ATOM 0 HG2 GLN A 35 114.186 17.948 14.221 1.00 1.00 H new ATOM 0 HG3 GLN A 35 115.414 17.824 15.465 1.00 1.00 H new ATOM 0 HE21 GLN A 35 112.241 17.633 15.347 1.00 1.00 H new ATOM 0 HE22 GLN A 35 111.771 18.576 16.765 1.00 1.00 H new ATOM 551 N ASP A 36 115.918 21.406 12.019 1.00 1.00 N ATOM 552 CA ASP A 36 116.733 22.452 11.401 1.00 1.00 C ATOM 553 C ASP A 36 116.094 23.066 10.153 1.00 1.00 C ATOM 554 O ASP A 36 116.539 24.120 9.698 1.00 1.00 O ATOM 555 CB ASP A 36 118.100 21.874 11.025 1.00 1.00 C ATOM 556 CG ASP A 36 118.912 21.576 12.283 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.564 22.097 13.329 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.871 20.830 12.179 1.00 1.00 O ATOM 0 H ASP A 36 116.036 20.478 11.614 1.00 1.00 H new ATOM 0 HA ASP A 36 116.827 23.250 12.138 1.00 1.00 H new ATOM 0 HB2 ASP A 36 117.969 20.961 10.443 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.640 22.580 10.394 1.00 1.00 H new ATOM 563 N HIS A 37 115.053 22.431 9.613 1.00 1.00 N ATOM 564 CA HIS A 37 114.342 22.940 8.434 1.00 1.00 C ATOM 565 C HIS A 37 115.180 22.888 7.156 1.00 1.00 C ATOM 566 O HIS A 37 114.803 23.480 6.144 1.00 1.00 O ATOM 567 CB HIS A 37 113.864 24.377 8.673 1.00 1.00 C ATOM 568 CG HIS A 37 113.105 24.435 9.968 1.00 1.00 C ATOM 569 ND1 HIS A 37 111.892 23.787 10.143 1.00 1.00 N ATOM 570 CD2 HIS A 37 113.378 25.050 11.163 1.00 1.00 C ATOM 571 CE1 HIS A 37 111.485 24.024 11.404 1.00 1.00 C ATOM 572 NE2 HIS A 37 112.354 24.789 12.069 1.00 1.00 N ATOM 0 H HIS A 37 114.679 21.554 9.976 1.00 1.00 H new ATOM 0 HA HIS A 37 113.487 22.280 8.288 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.716 25.056 8.706 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.228 24.703 7.850 1.00 1.00 H new ATOM 0 HD2 HIS A 37 114.254 25.646 11.370 1.00 1.00 H new ATOM 0 HE1 HIS A 37 110.567 23.642 11.826 1.00 1.00 H new ATOM 0 HE2 HIS A 37 112.283 25.113 13.034 1.00 1.00 H new ATOM 580 N LYS A 38 116.306 22.182 7.192 1.00 1.00 N ATOM 581 CA LYS A 38 117.156 22.078 6.006 1.00 1.00 C ATOM 582 C LYS A 38 116.568 21.046 5.021 1.00 1.00 C ATOM 583 O LYS A 38 116.076 20.001 5.449 1.00 1.00 O ATOM 584 CB LYS A 38 118.569 21.646 6.416 1.00 1.00 C ATOM 585 CG LYS A 38 119.425 22.878 6.744 1.00 1.00 C ATOM 586 CD LYS A 38 120.633 22.447 7.585 1.00 1.00 C ATOM 587 CE LYS A 38 121.826 23.364 7.295 1.00 1.00 C ATOM 588 NZ LYS A 38 121.372 24.782 7.267 1.00 1.00 N ATOM 0 H LYS A 38 116.648 21.681 8.012 1.00 1.00 H new ATOM 0 HA LYS A 38 117.201 23.052 5.519 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.519 20.988 7.283 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.032 21.077 5.610 1.00 1.00 H new ATOM 0 HG2 LYS A 38 119.760 23.357 5.824 1.00 1.00 H new ATOM 0 HG3 LYS A 38 118.832 23.613 7.289 1.00 1.00 H new ATOM 0 HD2 LYS A 38 120.382 22.487 8.645 1.00 1.00 H new ATOM 0 HD3 LYS A 38 120.894 21.413 7.358 1.00 1.00 H new ATOM 0 HE2 LYS A 38 122.593 23.232 8.059 1.00 1.00 H new ATOM 0 HE3 LYS A 38 122.278 23.098 6.340 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 122.163 25.405 7.527 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 121.042 25.022 6.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 120.593 24.911 7.944 1.00 1.00 H new ATOM 602 N PRO A 39 116.597 21.308 3.727 1.00 1.00 N ATOM 603 CA PRO A 39 116.045 20.368 2.695 1.00 1.00 C ATOM 604 C PRO A 39 116.894 19.108 2.522 1.00 1.00 C ATOM 605 O PRO A 39 118.080 19.098 2.855 1.00 1.00 O ATOM 606 CB PRO A 39 116.028 21.209 1.423 1.00 1.00 C ATOM 607 CG PRO A 39 117.145 22.164 1.605 1.00 1.00 C ATOM 608 CD PRO A 39 117.156 22.513 3.091 1.00 1.00 C ATOM 0 HA PRO A 39 115.063 19.987 2.975 1.00 1.00 H new ATOM 0 HB2 PRO A 39 116.172 20.592 0.536 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.077 21.727 1.301 1.00 1.00 H new ATOM 0 HG2 PRO A 39 118.093 21.720 1.301 1.00 1.00 H new ATOM 0 HG3 PRO A 39 117.000 23.056 0.995 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.164 22.725 3.447 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.552 23.396 3.301 1.00 1.00 H new ATOM 616 N ILE A 40 116.269 18.039 2.023 1.00 1.00 N ATOM 617 CA ILE A 40 116.965 16.766 1.835 1.00 1.00 C ATOM 618 C ILE A 40 117.131 16.439 0.349 1.00 1.00 C ATOM 619 O ILE A 40 116.176 16.527 -0.421 1.00 1.00 O ATOM 620 CB ILE A 40 116.174 15.620 2.477 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.370 16.132 3.683 1.00 1.00 C ATOM 622 CG2 ILE A 40 117.167 14.557 2.946 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.497 15.001 4.248 1.00 1.00 C ATOM 0 H ILE A 40 115.288 18.030 1.744 1.00 1.00 H new ATOM 0 HA ILE A 40 117.944 16.867 2.304 1.00 1.00 H new ATOM 0 HB ILE A 40 115.478 15.203 1.749 1.00 1.00 H new ATOM 0 HG12 ILE A 40 116.048 16.499 4.453 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.743 16.972 3.383 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.625 13.731 3.407 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.735 14.187 2.092 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.850 14.994 3.674 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.930 15.371 5.102 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.808 14.654 3.478 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.133 14.174 4.565 1.00 1.00 H new ATOM 635 N GLY A 41 118.333 16.016 -0.032 1.00 1.00 N ATOM 636 CA GLY A 41 118.598 15.624 -1.410 1.00 1.00 C ATOM 637 C GLY A 41 118.759 14.106 -1.478 1.00 1.00 C ATOM 638 O GLY A 41 119.699 13.554 -0.904 1.00 1.00 O ATOM 0 H GLY A 41 119.135 15.937 0.593 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.780 15.944 -2.056 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.501 16.114 -1.773 1.00 1.00 H new ATOM 642 N LEU A 42 117.862 13.437 -2.205 1.00 1.00 N ATOM 643 CA LEU A 42 117.957 11.996 -2.353 1.00 1.00 C ATOM 644 C LEU A 42 118.684 11.698 -3.651 1.00 1.00 C ATOM 645 O LEU A 42 118.236 12.092 -4.731 1.00 1.00 O ATOM 646 CB LEU A 42 116.579 11.317 -2.434 1.00 1.00 C ATOM 647 CG LEU A 42 115.698 11.618 -1.213 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.531 13.114 -0.996 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.310 11.024 -1.453 1.00 1.00 C ATOM 0 H LEU A 42 117.075 13.868 -2.691 1.00 1.00 H new ATOM 0 HA LEU A 42 118.480 11.611 -1.478 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.067 11.649 -3.337 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.714 10.239 -2.523 1.00 1.00 H new ATOM 0 HG LEU A 42 116.179 11.186 -0.336 1.00 1.00 H new ATOM 0 HD11 LEU A 42 114.901 13.287 -0.123 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.508 13.570 -0.835 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.064 13.559 -1.874 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.672 11.230 -0.593 1.00 1.00 H new ATOM 0 HD22 LEU A 42 113.872 11.472 -2.345 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.395 9.946 -1.592 1.00 1.00 H new ATOM 661 N PHE A 43 119.812 11.018 -3.535 1.00 1.00 N ATOM 662 CA PHE A 43 120.611 10.685 -4.706 1.00 1.00 C ATOM 663 C PHE A 43 120.220 9.300 -5.213 1.00 1.00 C ATOM 664 O PHE A 43 120.588 8.291 -4.612 1.00 1.00 O ATOM 665 CB PHE A 43 122.095 10.725 -4.315 1.00 1.00 C ATOM 666 CG PHE A 43 122.993 10.737 -5.534 1.00 1.00 C ATOM 667 CD1 PHE A 43 122.887 11.762 -6.484 1.00 1.00 C ATOM 668 CD2 PHE A 43 123.956 9.731 -5.702 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.733 11.778 -7.595 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.804 9.754 -6.813 1.00 1.00 C ATOM 671 CZ PHE A 43 124.689 10.777 -7.761 1.00 1.00 C ATOM 0 H PHE A 43 120.195 10.687 -2.649 1.00 1.00 H new ATOM 0 HA PHE A 43 120.433 11.404 -5.506 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.289 11.611 -3.711 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.332 9.860 -3.696 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.150 12.541 -6.357 1.00 1.00 H new ATOM 0 HD2 PHE A 43 124.042 8.939 -4.973 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.646 12.567 -8.327 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.548 8.982 -6.940 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.341 10.791 -8.622 1.00 1.00 H new ATOM 681 N PHE A 44 119.496 9.251 -6.333 1.00 1.00 N ATOM 682 CA PHE A 44 119.077 7.989 -6.943 1.00 1.00 C ATOM 683 C PHE A 44 120.064 7.617 -8.037 1.00 1.00 C ATOM 684 O PHE A 44 120.268 8.394 -8.969 1.00 1.00 O ATOM 685 CB PHE A 44 117.679 8.136 -7.536 1.00 1.00 C ATOM 686 CG PHE A 44 116.666 8.083 -6.426 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.270 6.843 -5.918 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.118 9.265 -5.904 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.329 6.779 -4.889 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.175 9.197 -4.874 1.00 1.00 C ATOM 691 CZ PHE A 44 114.781 7.954 -4.369 1.00 1.00 C ATOM 0 H PHE A 44 119.186 10.080 -6.840 1.00 1.00 H new ATOM 0 HA PHE A 44 119.056 7.206 -6.185 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.597 9.080 -8.076 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.490 7.340 -8.256 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.692 5.934 -6.321 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.424 10.224 -6.297 1.00 1.00 H new ATOM 0 HE1 PHE A 44 115.025 5.821 -4.495 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.751 10.104 -4.469 1.00 1.00 H new ATOM 0 HZ PHE A 44 114.051 7.902 -3.575 1.00 1.00 H new ATOM 701 N THR A 45 120.684 6.439 -7.927 1.00 1.00 N ATOM 702 CA THR A 45 121.659 6.040 -8.942 1.00 1.00 C ATOM 703 C THR A 45 121.867 4.531 -9.073 1.00 1.00 C ATOM 704 O THR A 45 121.254 3.724 -8.373 1.00 1.00 O ATOM 705 CB THR A 45 123.012 6.689 -8.633 1.00 1.00 C ATOM 706 OG1 THR A 45 123.366 6.423 -7.282 1.00 1.00 O ATOM 707 CG2 THR A 45 122.935 8.199 -8.859 1.00 1.00 C ATOM 0 H THR A 45 120.536 5.767 -7.174 1.00 1.00 H new ATOM 0 HA THR A 45 121.246 6.381 -9.891 1.00 1.00 H new ATOM 0 HB THR A 45 123.769 6.272 -9.297 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.815 7.206 -6.901 1.00 1.00 H new ATOM 0 HG21 THR A 45 123.902 8.650 -8.636 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.672 8.398 -9.898 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.176 8.627 -8.204 1.00 1.00 H new ATOM 715 N GLY A 46 122.826 4.193 -9.930 1.00 1.00 N ATOM 716 CA GLY A 46 123.278 2.829 -10.159 1.00 1.00 C ATOM 717 C GLY A 46 124.796 2.875 -10.062 1.00 1.00 C ATOM 718 O GLY A 46 125.495 3.117 -11.046 1.00 1.00 O ATOM 0 H GLY A 46 123.322 4.880 -10.498 1.00 1.00 H new ATOM 0 HA2 GLY A 46 122.859 2.148 -9.418 1.00 1.00 H new ATOM 0 HA3 GLY A 46 122.959 2.470 -11.138 1.00 1.00 H new ATOM 722 N SER A 47 125.282 2.724 -8.837 1.00 1.00 N ATOM 723 CA SER A 47 126.703 2.837 -8.540 1.00 1.00 C ATOM 724 C SER A 47 127.611 1.951 -9.384 1.00 1.00 C ATOM 725 O SER A 47 128.734 2.354 -9.688 1.00 1.00 O ATOM 726 CB SER A 47 126.933 2.518 -7.066 1.00 1.00 C ATOM 727 OG SER A 47 126.288 3.502 -6.269 1.00 1.00 O ATOM 0 H SER A 47 124.703 2.520 -8.023 1.00 1.00 H new ATOM 0 HA SER A 47 126.974 3.864 -8.786 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.542 1.528 -6.830 1.00 1.00 H new ATOM 0 HB3 SER A 47 128.001 2.499 -6.848 1.00 1.00 H new ATOM 0 HG SER A 47 126.159 3.155 -5.361 1.00 1.00 H new ATOM 733 N ASP A 48 127.175 0.740 -9.727 1.00 1.00 N ATOM 734 CA ASP A 48 128.030 -0.168 -10.484 1.00 1.00 C ATOM 735 C ASP A 48 127.675 -0.265 -11.964 1.00 1.00 C ATOM 736 O ASP A 48 128.351 -0.993 -12.690 1.00 1.00 O ATOM 737 CB ASP A 48 127.966 -1.564 -9.863 1.00 1.00 C ATOM 738 CG ASP A 48 128.679 -1.569 -8.514 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.357 -0.598 -8.219 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.534 -2.544 -7.792 1.00 1.00 O ATOM 0 H ASP A 48 126.252 0.371 -9.497 1.00 1.00 H new ATOM 0 HA ASP A 48 129.037 0.246 -10.431 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.927 -1.867 -9.735 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.430 -2.290 -10.531 1.00 1.00 H new ATOM 745 N TRP A 49 126.611 0.402 -12.420 1.00 1.00 N ATOM 746 CA TRP A 49 126.231 0.271 -13.825 1.00 1.00 C ATOM 747 C TRP A 49 125.890 1.590 -14.518 1.00 1.00 C ATOM 748 O TRP A 49 125.897 1.651 -15.746 1.00 1.00 O ATOM 749 CB TRP A 49 125.046 -0.692 -13.948 1.00 1.00 C ATOM 750 CG TRP A 49 123.978 -0.336 -12.961 1.00 1.00 C ATOM 751 CD1 TRP A 49 124.114 -0.364 -11.611 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.606 0.079 -13.222 1.00 1.00 C ATOM 753 NE1 TRP A 49 122.920 0.013 -11.035 1.00 1.00 N ATOM 754 CE2 TRP A 49 121.958 0.297 -11.984 1.00 1.00 C ATOM 755 CE3 TRP A 49 121.870 0.288 -14.402 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.628 0.707 -11.918 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.530 0.701 -14.340 1.00 1.00 C ATOM 758 CH2 TRP A 49 119.910 0.910 -13.100 1.00 1.00 C ATOM 0 H TRP A 49 126.019 1.015 -11.860 1.00 1.00 H new ATOM 0 HA TRP A 49 127.112 -0.116 -14.337 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.642 -0.654 -14.960 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.381 -1.715 -13.777 1.00 1.00 H new ATOM 0 HD1 TRP A 49 125.011 -0.637 -11.076 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.766 0.075 -10.029 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.339 0.130 -15.362 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.155 0.867 -10.960 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 119.974 0.859 -15.252 1.00 1.00 H new ATOM 0 HH2 TRP A 49 118.879 1.228 -13.058 1.00 1.00 H new ATOM 769 N CYS A 50 125.592 2.646 -13.763 1.00 1.00 N ATOM 770 CA CYS A 50 125.256 3.938 -14.359 1.00 1.00 C ATOM 771 C CYS A 50 126.498 4.839 -14.443 1.00 1.00 C ATOM 772 O CYS A 50 126.988 5.346 -13.433 1.00 1.00 O ATOM 773 CB CYS A 50 124.169 4.602 -13.513 1.00 1.00 C ATOM 774 SG CYS A 50 123.829 6.263 -14.133 1.00 1.00 S ATOM 0 H CYS A 50 125.576 2.633 -12.743 1.00 1.00 H new ATOM 0 HA CYS A 50 124.890 3.785 -15.374 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.259 4.002 -13.540 1.00 1.00 H new ATOM 0 HB3 CYS A 50 124.487 4.652 -12.472 1.00 1.00 H new ATOM 779 N MET A 51 127.009 5.014 -15.661 1.00 1.00 N ATOM 780 CA MET A 51 128.202 5.830 -15.888 1.00 1.00 C ATOM 781 C MET A 51 127.916 7.311 -15.685 1.00 1.00 C ATOM 782 O MET A 51 128.728 8.035 -15.111 1.00 1.00 O ATOM 783 CB MET A 51 128.716 5.593 -17.310 1.00 1.00 C ATOM 784 CG MET A 51 130.017 6.367 -17.533 1.00 1.00 C ATOM 785 SD MET A 51 130.681 5.979 -19.175 1.00 1.00 S ATOM 786 CE MET A 51 129.457 6.878 -20.163 1.00 1.00 C ATOM 0 H MET A 51 126.615 4.601 -16.507 1.00 1.00 H new ATOM 0 HA MET A 51 128.959 5.535 -15.162 1.00 1.00 H new ATOM 0 HB2 MET A 51 128.885 4.528 -17.472 1.00 1.00 H new ATOM 0 HB3 MET A 51 127.966 5.911 -18.034 1.00 1.00 H new ATOM 0 HG2 MET A 51 129.834 7.438 -17.447 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.744 6.105 -16.764 1.00 1.00 H new ATOM 0 HE1 MET A 51 129.868 7.086 -21.151 1.00 1.00 H new ATOM 0 HE2 MET A 51 128.556 6.273 -20.265 1.00 1.00 H new ATOM 0 HE3 MET A 51 129.209 7.817 -19.669 1.00 1.00 H new ATOM 796 N TRP A 52 126.763 7.766 -16.163 1.00 1.00 N ATOM 797 CA TRP A 52 126.385 9.162 -16.031 1.00 1.00 C ATOM 798 C TRP A 52 126.271 9.515 -14.558 1.00 1.00 C ATOM 799 O TRP A 52 126.503 10.653 -14.152 1.00 1.00 O ATOM 800 CB TRP A 52 125.052 9.404 -16.741 1.00 1.00 C ATOM 801 CG TRP A 52 125.242 9.183 -18.205 1.00 1.00 C ATOM 802 CD1 TRP A 52 125.402 7.975 -18.788 1.00 1.00 C ATOM 803 CD2 TRP A 52 125.294 10.167 -19.277 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.556 8.153 -20.148 1.00 1.00 N ATOM 805 CE2 TRP A 52 125.494 9.487 -20.500 1.00 1.00 C ATOM 806 CE3 TRP A 52 125.190 11.569 -19.306 1.00 1.00 C ATOM 807 CZ2 TRP A 52 125.587 10.173 -21.713 1.00 1.00 C ATOM 808 CZ3 TRP A 52 125.282 12.263 -20.524 1.00 1.00 C ATOM 809 CH2 TRP A 52 125.480 11.565 -21.724 1.00 1.00 C ATOM 0 H TRP A 52 126.076 7.186 -16.645 1.00 1.00 H new ATOM 0 HA TRP A 52 127.145 9.794 -16.490 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.289 8.729 -16.353 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.703 10.420 -16.554 1.00 1.00 H new ATOM 0 HD1 TRP A 52 125.408 7.025 -18.274 1.00 1.00 H new ATOM 0 HE1 TRP A 52 125.698 7.392 -20.812 1.00 1.00 H new ATOM 0 HE3 TRP A 52 125.039 12.115 -18.387 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 125.740 9.631 -22.635 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 125.200 13.340 -20.536 1.00 1.00 H new ATOM 0 HH2 TRP A 52 125.550 12.104 -22.657 1.00 1.00 H new ATOM 820 N CYS A 53 125.925 8.516 -13.768 1.00 1.00 N ATOM 821 CA CYS A 53 125.796 8.708 -12.337 1.00 1.00 C ATOM 822 C CYS A 53 127.168 8.913 -11.726 1.00 1.00 C ATOM 823 O CYS A 53 127.349 9.763 -10.853 1.00 1.00 O ATOM 824 CB CYS A 53 125.118 7.500 -11.711 1.00 1.00 C ATOM 825 SG CYS A 53 123.474 7.303 -12.443 1.00 1.00 S ATOM 0 H CYS A 53 125.729 7.569 -14.091 1.00 1.00 H new ATOM 0 HA CYS A 53 125.185 9.590 -12.145 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.715 6.604 -11.879 1.00 1.00 H new ATOM 0 HB3 CYS A 53 125.037 7.631 -10.632 1.00 1.00 H new ATOM 830 N ILE A 54 128.136 8.150 -12.212 1.00 1.00 N ATOM 831 CA ILE A 54 129.491 8.282 -11.726 1.00 1.00 C ATOM 832 C ILE A 54 129.956 9.693 -12.026 1.00 1.00 C ATOM 833 O ILE A 54 130.586 10.337 -11.188 1.00 1.00 O ATOM 834 CB ILE A 54 130.414 7.292 -12.432 1.00 1.00 C ATOM 835 CG1 ILE A 54 130.043 5.855 -12.041 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.855 7.575 -12.017 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.795 4.851 -12.929 1.00 1.00 C ATOM 0 H ILE A 54 128.006 7.442 -12.935 1.00 1.00 H new ATOM 0 HA ILE A 54 129.519 8.077 -10.656 1.00 1.00 H new ATOM 0 HB ILE A 54 130.307 7.404 -13.511 1.00 1.00 H new ATOM 0 HG12 ILE A 54 130.289 5.681 -10.994 1.00 1.00 H new ATOM 0 HG13 ILE A 54 128.968 5.709 -12.144 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.522 6.872 -12.516 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.122 8.593 -12.300 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.952 7.462 -10.937 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.523 3.836 -12.641 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.527 5.016 -13.973 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.869 4.988 -12.804 1.00 1.00 H new ATOM 849 N LYS A 55 129.668 10.169 -13.243 1.00 1.00 N ATOM 850 CA LYS A 55 130.088 11.500 -13.644 1.00 1.00 C ATOM 851 C LYS A 55 129.444 12.560 -12.763 1.00 1.00 C ATOM 852 O LYS A 55 130.122 13.475 -12.306 1.00 1.00 O ATOM 853 CB LYS A 55 129.726 11.775 -15.111 1.00 1.00 C ATOM 854 CG LYS A 55 130.409 10.776 -16.066 1.00 1.00 C ATOM 855 CD LYS A 55 131.932 10.975 -16.097 1.00 1.00 C ATOM 856 CE LYS A 55 132.537 10.038 -17.146 1.00 1.00 C ATOM 857 NZ LYS A 55 134.008 10.265 -17.234 1.00 1.00 N ATOM 0 H LYS A 55 129.151 9.652 -13.955 1.00 1.00 H new ATOM 0 HA LYS A 55 131.171 11.547 -13.530 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.645 11.716 -15.236 1.00 1.00 H new ATOM 0 HB3 LYS A 55 130.022 12.790 -15.374 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.181 9.757 -15.752 1.00 1.00 H new ATOM 0 HG3 LYS A 55 130.005 10.898 -17.071 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.171 12.011 -16.335 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.359 10.767 -15.116 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.335 9.000 -16.881 1.00 1.00 H new ATOM 0 HE3 LYS A 55 132.073 10.215 -18.116 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.416 9.627 -17.947 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.191 11.252 -17.507 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.445 10.075 -16.309 1.00 1.00 H new ATOM 871 N MET A 56 128.135 12.444 -12.505 1.00 1.00 N ATOM 872 CA MET A 56 127.464 13.419 -11.668 1.00 1.00 C ATOM 873 C MET A 56 128.068 13.390 -10.286 1.00 1.00 C ATOM 874 O MET A 56 128.373 14.417 -9.691 1.00 1.00 O ATOM 875 CB MET A 56 125.965 13.125 -11.571 1.00 1.00 C ATOM 876 CG MET A 56 125.309 14.208 -10.712 1.00 1.00 C ATOM 877 SD MET A 56 123.513 14.021 -10.744 1.00 1.00 S ATOM 878 CE MET A 56 123.153 15.257 -9.474 1.00 1.00 C ATOM 0 H MET A 56 127.538 11.697 -12.860 1.00 1.00 H new ATOM 0 HA MET A 56 127.593 14.404 -12.116 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.518 13.108 -12.565 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.800 12.142 -11.131 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.672 14.139 -9.686 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.586 15.195 -11.082 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.085 15.255 -9.257 1.00 1.00 H new ATOM 0 HE2 MET A 56 123.708 15.019 -8.567 1.00 1.00 H new ATOM 0 HE3 MET A 56 123.448 16.243 -9.832 1.00 1.00 H new ATOM 888 N GLN A 57 128.238 12.177 -9.789 1.00 1.00 N ATOM 889 CA GLN A 57 128.799 11.966 -8.480 1.00 1.00 C ATOM 890 C GLN A 57 130.264 12.379 -8.454 1.00 1.00 C ATOM 891 O GLN A 57 130.693 13.086 -7.542 1.00 1.00 O ATOM 892 CB GLN A 57 128.648 10.491 -8.114 1.00 1.00 C ATOM 893 CG GLN A 57 129.631 10.140 -7.010 1.00 1.00 C ATOM 894 CD GLN A 57 129.174 8.883 -6.275 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.056 8.409 -6.481 1.00 1.00 O ATOM 896 NE2 GLN A 57 129.972 8.313 -5.413 1.00 1.00 N ATOM 0 H GLN A 57 127.990 11.320 -10.284 1.00 1.00 H new ATOM 0 HA GLN A 57 128.269 12.579 -7.750 1.00 1.00 H new ATOM 0 HB2 GLN A 57 127.628 10.289 -7.785 1.00 1.00 H new ATOM 0 HB3 GLN A 57 128.830 9.868 -8.989 1.00 1.00 H new ATOM 0 HG2 GLN A 57 130.623 9.982 -7.433 1.00 1.00 H new ATOM 0 HG3 GLN A 57 129.713 10.970 -6.309 1.00 1.00 H new ATOM 0 HE21 GLN A 57 130.898 8.703 -5.240 1.00 1.00 H new ATOM 0 HE22 GLN A 57 129.669 7.478 -4.912 1.00 1.00 H new ATOM 905 N ASP A 58 131.032 11.951 -9.439 1.00 1.00 N ATOM 906 CA ASP A 58 132.446 12.287 -9.482 1.00 1.00 C ATOM 907 C ASP A 58 132.682 13.772 -9.773 1.00 1.00 C ATOM 908 O ASP A 58 133.630 14.357 -9.246 1.00 1.00 O ATOM 909 CB ASP A 58 133.123 11.430 -10.554 1.00 1.00 C ATOM 910 CG ASP A 58 134.629 11.662 -10.553 1.00 1.00 C ATOM 911 OD1 ASP A 58 135.075 12.542 -9.835 1.00 1.00 O ATOM 912 OD2 ASP A 58 135.317 10.952 -11.269 1.00 1.00 O ATOM 0 H ASP A 58 130.706 11.375 -10.215 1.00 1.00 H new ATOM 0 HA ASP A 58 132.875 12.084 -8.501 1.00 1.00 H new ATOM 0 HB2 ASP A 58 132.912 10.376 -10.372 1.00 1.00 H new ATOM 0 HB3 ASP A 58 132.713 11.673 -11.534 1.00 1.00 H new ATOM 917 N GLN A 59 131.867 14.372 -10.634 1.00 1.00 N ATOM 918 CA GLN A 59 132.094 15.776 -10.980 1.00 1.00 C ATOM 919 C GLN A 59 131.327 16.782 -10.115 1.00 1.00 C ATOM 920 O GLN A 59 131.745 17.936 -10.041 1.00 1.00 O ATOM 921 CB GLN A 59 131.736 16.021 -12.447 1.00 1.00 C ATOM 922 CG GLN A 59 132.698 15.241 -13.340 1.00 1.00 C ATOM 923 CD GLN A 59 132.331 15.438 -14.807 1.00 1.00 C ATOM 924 OE1 GLN A 59 131.410 16.192 -15.119 1.00 1.00 O ATOM 925 NE2 GLN A 59 133.001 14.803 -15.730 1.00 1.00 N ATOM 0 H GLN A 59 131.070 13.930 -11.093 1.00 1.00 H new ATOM 0 HA GLN A 59 133.154 15.946 -10.792 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.710 15.709 -12.639 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.793 17.086 -12.674 1.00 1.00 H new ATOM 0 HG2 GLN A 59 133.721 15.576 -13.165 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.662 14.181 -13.088 1.00 1.00 H new ATOM 0 HE21 GLN A 59 133.764 14.179 -15.468 1.00 1.00 H new ATOM 0 HE22 GLN A 59 132.762 14.931 -16.713 1.00 1.00 H new ATOM 934 N ILE A 60 130.195 16.393 -9.512 1.00 1.00 N ATOM 935 CA ILE A 60 129.419 17.366 -8.730 1.00 1.00 C ATOM 936 C ILE A 60 129.347 17.035 -7.244 1.00 1.00 C ATOM 937 O ILE A 60 129.657 17.892 -6.424 1.00 1.00 O ATOM 938 CB ILE A 60 127.995 17.459 -9.293 1.00 1.00 C ATOM 939 CG1 ILE A 60 128.069 17.883 -10.763 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.185 18.496 -8.504 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.695 17.730 -11.414 1.00 1.00 C ATOM 0 H ILE A 60 129.807 15.450 -9.546 1.00 1.00 H new ATOM 0 HA ILE A 60 129.940 18.319 -8.818 1.00 1.00 H new ATOM 0 HB ILE A 60 127.507 16.488 -9.208 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.403 18.918 -10.836 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.802 17.273 -11.291 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.175 18.555 -8.911 1.00 1.00 H new ATOM 0 HG22 ILE A 60 127.137 18.200 -7.456 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.666 19.471 -8.584 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.752 18.033 -12.460 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.378 16.689 -11.354 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.973 18.359 -10.893 1.00 1.00 H new ATOM 953 N LEU A 61 128.910 15.845 -6.871 1.00 1.00 N ATOM 954 CA LEU A 61 128.779 15.524 -5.450 1.00 1.00 C ATOM 955 C LEU A 61 130.127 15.604 -4.732 1.00 1.00 C ATOM 956 O LEU A 61 130.200 16.080 -3.600 1.00 1.00 O ATOM 957 CB LEU A 61 128.197 14.117 -5.232 1.00 1.00 C ATOM 958 CG LEU A 61 126.713 14.010 -5.669 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.788 14.514 -4.565 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.432 14.827 -6.928 1.00 1.00 C ATOM 0 H LEU A 61 128.644 15.097 -7.511 1.00 1.00 H new ATOM 0 HA LEU A 61 128.096 16.265 -5.035 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.789 13.392 -5.791 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.281 13.853 -4.178 1.00 1.00 H new ATOM 0 HG LEU A 61 126.525 12.956 -5.873 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.752 14.430 -4.892 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.934 13.915 -3.666 1.00 1.00 H new ATOM 0 HD13 LEU A 61 126.016 15.557 -4.347 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.382 14.725 -7.201 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.658 15.876 -6.739 1.00 1.00 H new ATOM 0 HD23 LEU A 61 127.056 14.463 -7.745 1.00 1.00 H new ATOM 972 N GLN A 62 131.189 15.117 -5.374 1.00 1.00 N ATOM 973 CA GLN A 62 132.513 15.124 -4.752 1.00 1.00 C ATOM 974 C GLN A 62 133.272 16.420 -5.027 1.00 1.00 C ATOM 975 O GLN A 62 134.430 16.555 -4.634 1.00 1.00 O ATOM 976 CB GLN A 62 133.344 13.943 -5.258 1.00 1.00 C ATOM 977 CG GLN A 62 132.701 12.631 -4.807 1.00 1.00 C ATOM 978 CD GLN A 62 133.499 11.448 -5.344 1.00 1.00 C ATOM 979 OE1 GLN A 62 134.024 11.503 -6.455 1.00 1.00 O ATOM 980 NE2 GLN A 62 133.622 10.373 -4.614 1.00 1.00 N ATOM 0 H GLN A 62 131.160 14.718 -6.312 1.00 1.00 H new ATOM 0 HA GLN A 62 132.358 15.041 -3.676 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.410 13.972 -6.346 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.362 14.011 -4.875 1.00 1.00 H new ATOM 0 HG2 GLN A 62 132.663 12.590 -3.718 1.00 1.00 H new ATOM 0 HG3 GLN A 62 131.673 12.579 -5.164 1.00 1.00 H new ATOM 0 HE21 GLN A 62 133.186 10.329 -3.693 1.00 1.00 H new ATOM 0 HE22 GLN A 62 134.154 9.577 -4.965 1.00 1.00 H new ATOM 989 N SER A 63 132.630 17.375 -5.697 1.00 1.00 N ATOM 990 CA SER A 63 133.278 18.648 -6.007 1.00 1.00 C ATOM 991 C SER A 63 133.291 19.560 -4.790 1.00 1.00 C ATOM 992 O SER A 63 132.419 19.470 -3.929 1.00 1.00 O ATOM 993 CB SER A 63 132.545 19.345 -7.148 1.00 1.00 C ATOM 994 OG SER A 63 131.431 20.056 -6.623 1.00 1.00 O ATOM 0 H SER A 63 131.670 17.293 -6.033 1.00 1.00 H new ATOM 0 HA SER A 63 134.306 18.439 -6.303 1.00 1.00 H new ATOM 0 HB2 SER A 63 133.218 20.030 -7.664 1.00 1.00 H new ATOM 0 HB3 SER A 63 132.211 18.612 -7.883 1.00 1.00 H new ATOM 0 HG SER A 63 130.684 19.437 -6.484 1.00 1.00 H new ATOM 1000 N SER A 64 134.302 20.412 -4.699 1.00 1.00 N ATOM 1001 CA SER A 64 134.441 21.298 -3.552 1.00 1.00 C ATOM 1002 C SER A 64 133.244 22.226 -3.369 1.00 1.00 C ATOM 1003 O SER A 64 132.786 22.420 -2.241 1.00 1.00 O ATOM 1004 CB SER A 64 135.706 22.136 -3.712 1.00 1.00 C ATOM 1005 OG SER A 64 136.831 21.272 -3.795 1.00 1.00 O ATOM 0 H SER A 64 135.035 20.509 -5.402 1.00 1.00 H new ATOM 0 HA SER A 64 134.500 20.668 -2.665 1.00 1.00 H new ATOM 0 HB2 SER A 64 135.638 22.751 -4.609 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.816 22.816 -2.867 1.00 1.00 H new ATOM 0 HG SER A 64 137.646 21.806 -3.900 1.00 1.00 H new ATOM 1011 N GLU A 65 132.752 22.823 -4.450 1.00 1.00 N ATOM 1012 CA GLU A 65 131.632 23.751 -4.349 1.00 1.00 C ATOM 1013 C GLU A 65 130.373 23.079 -3.813 1.00 1.00 C ATOM 1014 O GLU A 65 129.703 23.619 -2.933 1.00 1.00 O ATOM 1015 CB GLU A 65 131.319 24.339 -5.730 1.00 1.00 C ATOM 1016 CG GLU A 65 132.448 25.272 -6.189 1.00 1.00 C ATOM 1017 CD GLU A 65 133.594 24.460 -6.783 1.00 1.00 C ATOM 1018 OE1 GLU A 65 133.527 23.246 -6.724 1.00 1.00 O ATOM 1019 OE2 GLU A 65 134.513 25.068 -7.305 1.00 1.00 O ATOM 0 H GLU A 65 133.107 22.683 -5.396 1.00 1.00 H new ATOM 0 HA GLU A 65 131.928 24.534 -3.651 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.189 23.534 -6.453 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.378 24.889 -5.692 1.00 1.00 H new ATOM 0 HG2 GLU A 65 132.069 25.976 -6.930 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.809 25.861 -5.345 1.00 1.00 H new ATOM 1026 N PHE A 66 130.052 21.906 -4.336 1.00 1.00 N ATOM 1027 CA PHE A 66 128.867 21.191 -3.882 1.00 1.00 C ATOM 1028 C PHE A 66 129.015 20.725 -2.439 1.00 1.00 C ATOM 1029 O PHE A 66 128.071 20.818 -1.655 1.00 1.00 O ATOM 1030 CB PHE A 66 128.598 19.988 -4.774 1.00 1.00 C ATOM 1031 CG PHE A 66 127.239 19.438 -4.427 1.00 1.00 C ATOM 1032 CD1 PHE A 66 126.087 20.041 -4.946 1.00 1.00 C ATOM 1033 CD2 PHE A 66 127.130 18.344 -3.565 1.00 1.00 C ATOM 1034 CE1 PHE A 66 124.824 19.549 -4.598 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.868 17.849 -3.220 1.00 1.00 C ATOM 1036 CZ PHE A 66 124.716 18.453 -3.735 1.00 1.00 C ATOM 0 H PHE A 66 130.586 21.433 -5.065 1.00 1.00 H new ATOM 0 HA PHE A 66 128.027 21.884 -3.938 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.634 20.278 -5.824 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.365 19.227 -4.627 1.00 1.00 H new ATOM 0 HD1 PHE A 66 126.173 20.885 -5.614 1.00 1.00 H new ATOM 0 HD2 PHE A 66 128.020 17.881 -3.165 1.00 1.00 H new ATOM 0 HE1 PHE A 66 123.934 20.015 -4.995 1.00 1.00 H new ATOM 0 HE2 PHE A 66 125.783 17.001 -2.556 1.00 1.00 H new ATOM 0 HZ PHE A 66 123.742 18.073 -3.466 1.00 1.00 H new ATOM 1046 N LYS A 67 130.190 20.204 -2.094 1.00 1.00 N ATOM 1047 CA LYS A 67 130.411 19.710 -0.747 1.00 1.00 C ATOM 1048 C LYS A 67 130.264 20.833 0.251 1.00 1.00 C ATOM 1049 O LYS A 67 129.654 20.661 1.308 1.00 1.00 O ATOM 1050 CB LYS A 67 131.792 19.062 -0.625 1.00 1.00 C ATOM 1051 CG LYS A 67 131.780 17.724 -1.372 1.00 1.00 C ATOM 1052 CD LYS A 67 133.099 16.979 -1.150 1.00 1.00 C ATOM 1053 CE LYS A 67 134.250 17.710 -1.844 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.421 16.796 -1.942 1.00 1.00 N ATOM 0 H LYS A 67 130.990 20.116 -2.721 1.00 1.00 H new ATOM 0 HA LYS A 67 129.660 18.950 -0.532 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.555 19.719 -1.042 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.044 18.906 0.424 1.00 1.00 H new ATOM 0 HG2 LYS A 67 130.947 17.113 -1.024 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.627 17.896 -2.437 1.00 1.00 H new ATOM 0 HD2 LYS A 67 133.303 16.898 -0.082 1.00 1.00 H new ATOM 0 HD3 LYS A 67 133.019 15.963 -1.537 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.943 18.036 -2.838 1.00 1.00 H new ATOM 0 HE3 LYS A 67 134.518 18.606 -1.284 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 136.290 17.320 -1.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 135.306 16.011 -1.270 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.486 16.418 -2.909 1.00 1.00 H new ATOM 1068 N HIS A 68 130.821 21.987 -0.075 1.00 1.00 N ATOM 1069 CA HIS A 68 130.740 23.119 0.809 1.00 1.00 C ATOM 1070 C HIS A 68 129.297 23.572 0.943 1.00 1.00 C ATOM 1071 O HIS A 68 128.814 23.817 2.048 1.00 1.00 O ATOM 1072 CB HIS A 68 131.590 24.261 0.250 1.00 1.00 C ATOM 1073 CG HIS A 68 131.512 25.444 1.169 1.00 1.00 C ATOM 1074 ND1 HIS A 68 130.800 26.587 0.845 1.00 1.00 N ATOM 1075 CD2 HIS A 68 132.050 25.675 2.410 1.00 1.00 C ATOM 1076 CE1 HIS A 68 130.926 27.447 1.869 1.00 1.00 C ATOM 1077 NE2 HIS A 68 131.678 26.941 2.850 1.00 1.00 N ATOM 0 H HIS A 68 131.330 22.157 -0.943 1.00 1.00 H new ATOM 0 HA HIS A 68 131.113 22.834 1.793 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.626 23.938 0.144 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.238 24.536 -0.744 1.00 1.00 H new ATOM 0 HD2 HIS A 68 132.667 24.981 2.960 1.00 1.00 H new ATOM 0 HE1 HIS A 68 130.474 28.428 1.896 1.00 1.00 H new ATOM 0 HE2 HIS A 68 131.926 27.387 3.733 1.00 1.00 H new ATOM 1085 N PHE A 69 128.612 23.686 -0.191 1.00 1.00 N ATOM 1086 CA PHE A 69 127.230 24.116 -0.207 1.00 1.00 C ATOM 1087 C PHE A 69 126.343 23.146 0.561 1.00 1.00 C ATOM 1088 O PHE A 69 125.526 23.556 1.383 1.00 1.00 O ATOM 1089 CB PHE A 69 126.768 24.223 -1.663 1.00 1.00 C ATOM 1090 CG PHE A 69 125.277 24.441 -1.732 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.722 25.660 -1.324 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.448 23.423 -2.218 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.338 25.859 -1.400 1.00 1.00 C ATOM 1094 CE2 PHE A 69 123.069 23.624 -2.297 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.513 24.840 -1.888 1.00 1.00 C ATOM 0 H PHE A 69 129.000 23.484 -1.112 1.00 1.00 H new ATOM 0 HA PHE A 69 127.151 25.087 0.282 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.285 25.047 -2.155 1.00 1.00 H new ATOM 0 HB3 PHE A 69 127.033 23.314 -2.202 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.361 26.447 -0.951 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.875 22.482 -2.532 1.00 1.00 H new ATOM 0 HE1 PHE A 69 122.908 26.798 -1.082 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.430 22.839 -2.675 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.446 24.993 -1.949 1.00 1.00 H new ATOM 1105 N ALA A 70 126.477 21.860 0.251 1.00 1.00 N ATOM 1106 CA ALA A 70 125.661 20.828 0.863 1.00 1.00 C ATOM 1107 C ALA A 70 125.932 20.662 2.353 1.00 1.00 C ATOM 1108 O ALA A 70 125.016 20.393 3.130 1.00 1.00 O ATOM 1109 CB ALA A 70 125.894 19.492 0.156 1.00 1.00 C ATOM 0 H ALA A 70 127.152 21.510 -0.429 1.00 1.00 H new ATOM 0 HA ALA A 70 124.623 21.143 0.754 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.278 18.722 0.621 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.625 19.585 -0.896 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.945 19.215 0.239 1.00 1.00 H new ATOM 1115 N GLY A 71 127.184 20.809 2.750 1.00 1.00 N ATOM 1116 CA GLY A 71 127.536 20.655 4.149 1.00 1.00 C ATOM 1117 C GLY A 71 126.901 21.751 4.979 1.00 1.00 C ATOM 1118 O GLY A 71 126.492 21.529 6.118 1.00 1.00 O ATOM 0 H GLY A 71 127.964 21.032 2.132 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.205 19.681 4.508 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.620 20.686 4.263 1.00 1.00 H new ATOM 1122 N VAL A 72 126.848 22.944 4.412 1.00 1.00 N ATOM 1123 CA VAL A 72 126.300 24.086 5.099 1.00 1.00 C ATOM 1124 C VAL A 72 124.776 24.179 4.978 1.00 1.00 C ATOM 1125 O VAL A 72 124.109 24.521 5.955 1.00 1.00 O ATOM 1126 CB VAL A 72 126.957 25.343 4.536 1.00 1.00 C ATOM 1127 CG1 VAL A 72 126.097 26.558 4.849 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.336 25.512 5.176 1.00 1.00 C ATOM 0 H VAL A 72 127.183 23.141 3.469 1.00 1.00 H new ATOM 0 HA VAL A 72 126.512 23.980 6.163 1.00 1.00 H new ATOM 0 HB VAL A 72 127.060 25.250 3.455 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.571 27.453 4.445 1.00 1.00 H new ATOM 0 HG12 VAL A 72 125.113 26.433 4.398 1.00 1.00 H new ATOM 0 HG13 VAL A 72 125.991 26.660 5.929 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.814 26.408 4.780 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.227 25.607 6.256 1.00 1.00 H new ATOM 0 HG23 VAL A 72 128.952 24.642 4.949 1.00 1.00 H new ATOM 1138 N HIS A 73 124.228 23.975 3.777 1.00 1.00 N ATOM 1139 CA HIS A 73 122.787 24.153 3.566 1.00 1.00 C ATOM 1140 C HIS A 73 121.954 22.882 3.373 1.00 1.00 C ATOM 1141 O HIS A 73 120.737 23.015 3.239 1.00 1.00 O ATOM 1142 CB HIS A 73 122.567 25.034 2.336 1.00 1.00 C ATOM 1143 CG HIS A 73 122.965 26.449 2.636 1.00 1.00 C ATOM 1144 ND1 HIS A 73 124.030 27.063 1.998 1.00 1.00 N ATOM 1145 CD2 HIS A 73 122.444 27.388 3.490 1.00 1.00 C ATOM 1146 CE1 HIS A 73 124.115 28.318 2.471 1.00 1.00 C ATOM 1147 NE2 HIS A 73 123.174 28.569 3.383 1.00 1.00 N ATOM 0 H HIS A 73 124.749 23.691 2.948 1.00 1.00 H new ATOM 0 HA HIS A 73 122.438 24.597 4.498 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.151 24.654 1.498 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.520 24.999 2.037 1.00 1.00 H new ATOM 0 HD2 HIS A 73 121.598 27.235 4.144 1.00 1.00 H new ATOM 0 HE1 HIS A 73 124.855 29.036 2.152 1.00 1.00 H new ATOM 0 HE2 HIS A 73 123.022 29.439 3.893 1.00 1.00 H new ATOM 1155 N LEU A 74 122.535 21.674 3.295 1.00 1.00 N ATOM 1156 CA LEU A 74 121.667 20.509 3.039 1.00 1.00 C ATOM 1157 C LEU A 74 121.978 19.242 3.807 1.00 1.00 C ATOM 1158 O LEU A 74 123.070 19.058 4.348 1.00 1.00 O ATOM 1159 CB LEU A 74 121.705 20.139 1.559 1.00 1.00 C ATOM 1160 CG LEU A 74 121.059 21.229 0.709 1.00 1.00 C ATOM 1161 CD1 LEU A 74 122.132 22.169 0.176 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.333 20.567 -0.456 1.00 1.00 C ATOM 0 H LEU A 74 123.531 21.481 3.397 1.00 1.00 H new ATOM 0 HA LEU A 74 120.692 20.854 3.383 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.738 19.990 1.244 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.185 19.194 1.403 1.00 1.00 H new ATOM 0 HG LEU A 74 120.355 21.803 1.311 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.667 22.946 -0.430 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.661 22.629 1.011 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.838 21.606 -0.435 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.865 21.332 -1.075 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.047 20.002 -1.056 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.568 19.893 -0.072 1.00 1.00 H new ATOM 1174 N HIS A 75 121.020 18.325 3.737 1.00 1.00 N ATOM 1175 CA HIS A 75 121.155 16.998 4.294 1.00 1.00 C ATOM 1176 C HIS A 75 121.165 16.070 3.079 1.00 1.00 C ATOM 1177 O HIS A 75 120.216 16.089 2.293 1.00 1.00 O ATOM 1178 CB HIS A 75 119.971 16.669 5.212 1.00 1.00 C ATOM 1179 CG HIS A 75 120.177 17.292 6.569 1.00 1.00 C ATOM 1180 ND1 HIS A 75 119.786 18.591 6.857 1.00 1.00 N ATOM 1181 CD2 HIS A 75 120.714 16.798 7.734 1.00 1.00 C ATOM 1182 CE1 HIS A 75 120.089 18.828 8.150 1.00 1.00 C ATOM 1183 NE2 HIS A 75 120.655 17.769 8.728 1.00 1.00 N ATOM 0 H HIS A 75 120.120 18.491 3.286 1.00 1.00 H new ATOM 0 HA HIS A 75 122.054 16.897 4.903 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.045 17.038 4.771 1.00 1.00 H new ATOM 0 HB3 HIS A 75 119.868 15.588 5.312 1.00 1.00 H new ATOM 0 HD2 HIS A 75 121.121 15.805 7.859 1.00 1.00 H new ATOM 0 HE1 HIS A 75 119.896 19.763 8.655 1.00 1.00 H new ATOM 0 HE2 HIS A 75 120.976 17.688 9.693 1.00 1.00 H new ATOM 1191 N MET A 76 122.229 15.296 2.894 1.00 1.00 N ATOM 1192 CA MET A 76 122.310 14.420 1.724 1.00 1.00 C ATOM 1193 C MET A 76 121.981 12.977 2.080 1.00 1.00 C ATOM 1194 O MET A 76 122.431 12.460 3.103 1.00 1.00 O ATOM 1195 CB MET A 76 123.706 14.500 1.098 1.00 1.00 C ATOM 1196 CG MET A 76 123.762 13.598 -0.140 1.00 1.00 C ATOM 1197 SD MET A 76 124.479 14.511 -1.526 1.00 1.00 S ATOM 1198 CE MET A 76 122.934 15.179 -2.186 1.00 1.00 C ATOM 0 H MET A 76 123.032 15.254 3.522 1.00 1.00 H new ATOM 0 HA MET A 76 121.570 14.764 1.001 1.00 1.00 H new ATOM 0 HB2 MET A 76 123.934 15.529 0.822 1.00 1.00 H new ATOM 0 HB3 MET A 76 124.459 14.190 1.822 1.00 1.00 H new ATOM 0 HG2 MET A 76 124.359 12.711 0.071 1.00 1.00 H new ATOM 0 HG3 MET A 76 122.760 13.255 -0.397 1.00 1.00 H new ATOM 0 HE1 MET A 76 123.155 15.885 -2.986 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.324 14.365 -2.579 1.00 1.00 H new ATOM 0 HE3 MET A 76 122.390 15.690 -1.392 1.00 1.00 H new ATOM 1208 N VAL A 77 121.191 12.335 1.222 1.00 1.00 N ATOM 1209 CA VAL A 77 120.798 10.952 1.434 1.00 1.00 C ATOM 1210 C VAL A 77 121.167 10.143 0.195 1.00 1.00 C ATOM 1211 O VAL A 77 120.865 10.543 -0.930 1.00 1.00 O ATOM 1212 CB VAL A 77 119.286 10.894 1.688 1.00 1.00 C ATOM 1213 CG1 VAL A 77 118.803 9.445 1.689 1.00 1.00 C ATOM 1214 CG2 VAL A 77 118.973 11.531 3.043 1.00 1.00 C ATOM 0 H VAL A 77 120.812 12.755 0.373 1.00 1.00 H new ATOM 0 HA VAL A 77 121.314 10.534 2.298 1.00 1.00 H new ATOM 0 HB VAL A 77 118.774 11.438 0.894 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.729 9.420 1.870 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.019 8.989 0.723 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.317 8.891 2.475 1.00 1.00 H new ATOM 0 HG21 VAL A 77 117.899 11.490 3.225 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.495 10.987 3.830 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.302 12.570 3.041 1.00 1.00 H new ATOM 1224 N GLU A 78 121.834 9.011 0.401 1.00 1.00 N ATOM 1225 CA GLU A 78 122.252 8.171 -0.716 1.00 1.00 C ATOM 1226 C GLU A 78 121.270 7.031 -0.929 1.00 1.00 C ATOM 1227 O GLU A 78 120.917 6.317 0.008 1.00 1.00 O ATOM 1228 CB GLU A 78 123.645 7.592 -0.455 1.00 1.00 C ATOM 1229 CG GLU A 78 124.121 6.829 -1.695 1.00 1.00 C ATOM 1230 CD GLU A 78 125.554 6.342 -1.499 1.00 1.00 C ATOM 1231 OE1 GLU A 78 126.026 6.387 -0.375 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.158 5.931 -2.478 1.00 1.00 O ATOM 0 H GLU A 78 122.094 8.657 1.321 1.00 1.00 H new ATOM 0 HA GLU A 78 122.278 8.792 -1.611 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.345 8.393 -0.217 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.618 6.926 0.407 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.464 5.980 -1.883 1.00 1.00 H new ATOM 0 HG3 GLU A 78 124.066 7.475 -2.571 1.00 1.00 H new ATOM 1239 N VAL A 79 120.837 6.866 -2.172 1.00 1.00 N ATOM 1240 CA VAL A 79 119.904 5.810 -2.513 1.00 1.00 C ATOM 1241 C VAL A 79 120.386 5.124 -3.790 1.00 1.00 C ATOM 1242 O VAL A 79 120.220 5.639 -4.895 1.00 1.00 O ATOM 1243 CB VAL A 79 118.500 6.399 -2.716 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.453 5.331 -2.398 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.295 7.605 -1.780 1.00 1.00 C ATOM 0 H VAL A 79 121.119 7.452 -2.958 1.00 1.00 H new ATOM 0 HA VAL A 79 119.854 5.080 -1.705 1.00 1.00 H new ATOM 0 HB VAL A 79 118.395 6.725 -3.751 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.455 5.746 -2.541 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.590 4.478 -3.062 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.566 5.007 -1.363 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.297 8.017 -1.930 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.403 7.284 -0.744 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.040 8.369 -2.002 1.00 1.00 H new ATOM 1255 N ASP A 80 121.099 4.016 -3.597 1.00 1.00 N ATOM 1256 CA ASP A 80 121.741 3.329 -4.715 1.00 1.00 C ATOM 1257 C ASP A 80 121.084 2.030 -5.155 1.00 1.00 C ATOM 1258 O ASP A 80 120.590 1.267 -4.324 1.00 1.00 O ATOM 1259 CB ASP A 80 123.193 3.027 -4.338 1.00 1.00 C ATOM 1260 CG ASP A 80 123.999 4.319 -4.268 1.00 1.00 C ATOM 1261 OD1 ASP A 80 123.473 5.346 -4.665 1.00 1.00 O ATOM 1262 OD2 ASP A 80 125.132 4.262 -3.819 1.00 1.00 O ATOM 0 H ASP A 80 121.246 3.579 -2.687 1.00 1.00 H new ATOM 0 HA ASP A 80 121.650 4.010 -5.561 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.228 2.516 -3.376 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.635 2.354 -5.073 1.00 1.00 H new ATOM 1267 N PHE A 81 121.128 1.753 -6.456 1.00 1.00 N ATOM 1268 CA PHE A 81 120.587 0.512 -6.990 1.00 1.00 C ATOM 1269 C PHE A 81 121.703 -0.217 -7.738 1.00 1.00 C ATOM 1270 O PHE A 81 121.732 -0.216 -8.968 1.00 1.00 O ATOM 1271 CB PHE A 81 119.441 0.813 -7.954 1.00 1.00 C ATOM 1272 CG PHE A 81 118.185 1.061 -7.163 1.00 1.00 C ATOM 1273 CD1 PHE A 81 118.088 2.198 -6.353 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.121 0.155 -7.232 1.00 1.00 C ATOM 1275 CE1 PHE A 81 116.926 2.429 -5.611 1.00 1.00 C ATOM 1276 CE2 PHE A 81 115.958 0.387 -6.490 1.00 1.00 C ATOM 1277 CZ PHE A 81 115.862 1.525 -5.680 1.00 1.00 C ATOM 0 H PHE A 81 121.533 2.373 -7.157 1.00 1.00 H new ATOM 0 HA PHE A 81 120.207 -0.106 -6.177 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.681 1.685 -8.562 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.296 -0.023 -8.638 1.00 1.00 H new ATOM 0 HD1 PHE A 81 118.910 2.896 -6.301 1.00 1.00 H new ATOM 0 HD2 PHE A 81 117.197 -0.722 -7.857 1.00 1.00 H new ATOM 0 HE1 PHE A 81 116.850 3.306 -4.985 1.00 1.00 H new ATOM 0 HE2 PHE A 81 115.135 -0.311 -6.542 1.00 1.00 H new ATOM 0 HZ PHE A 81 114.964 1.705 -5.107 1.00 1.00 H new ATOM 1287 N PRO A 82 122.634 -0.806 -7.025 1.00 1.00 N ATOM 1288 CA PRO A 82 123.795 -1.515 -7.642 1.00 1.00 C ATOM 1289 C PRO A 82 123.439 -2.865 -8.253 1.00 1.00 C ATOM 1290 O PRO A 82 122.428 -3.471 -7.902 1.00 1.00 O ATOM 1291 CB PRO A 82 124.769 -1.678 -6.477 1.00 1.00 C ATOM 1292 CG PRO A 82 123.914 -1.730 -5.260 1.00 1.00 C ATOM 1293 CD PRO A 82 122.688 -0.866 -5.551 1.00 1.00 C ATOM 0 HA PRO A 82 124.200 -0.953 -8.483 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.360 -2.588 -6.582 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.471 -0.845 -6.430 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.621 -2.756 -5.036 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.454 -1.356 -4.391 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.782 -1.307 -5.136 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.788 0.128 -5.115 1.00 1.00 H new ATOM 1301 N GLN A 83 124.300 -3.345 -9.145 1.00 1.00 N ATOM 1302 CA GLN A 83 124.081 -4.649 -9.761 1.00 1.00 C ATOM 1303 C GLN A 83 124.353 -5.743 -8.737 1.00 1.00 C ATOM 1304 O GLN A 83 123.590 -6.702 -8.611 1.00 1.00 O ATOM 1305 CB GLN A 83 125.024 -4.852 -10.955 1.00 1.00 C ATOM 1306 CG GLN A 83 124.690 -3.860 -12.068 1.00 1.00 C ATOM 1307 CD GLN A 83 123.277 -4.107 -12.588 1.00 1.00 C ATOM 1308 OE1 GLN A 83 122.975 -5.198 -13.074 1.00 1.00 O ATOM 1309 NE2 GLN A 83 122.385 -3.160 -12.500 1.00 1.00 N ATOM 0 H GLN A 83 125.143 -2.860 -9.454 1.00 1.00 H new ATOM 0 HA GLN A 83 123.049 -4.696 -10.108 1.00 1.00 H new ATOM 0 HB2 GLN A 83 126.058 -4.718 -10.637 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.935 -5.872 -11.329 1.00 1.00 H new ATOM 0 HG2 GLN A 83 124.774 -2.840 -11.693 1.00 1.00 H new ATOM 0 HG3 GLN A 83 125.408 -3.961 -12.882 1.00 1.00 H new ATOM 0 HE21 GLN A 83 122.637 -2.258 -12.097 1.00 1.00 H new ATOM 0 HE22 GLN A 83 121.435 -3.322 -12.834 1.00 1.00 H new ATOM 1318 N LYS A 84 125.416 -5.553 -7.974 1.00 1.00 N ATOM 1319 CA LYS A 84 125.773 -6.475 -6.916 1.00 1.00 C ATOM 1320 C LYS A 84 125.315 -5.851 -5.607 1.00 1.00 C ATOM 1321 O LYS A 84 125.970 -4.975 -5.040 1.00 1.00 O ATOM 1322 CB LYS A 84 127.279 -6.695 -6.897 1.00 1.00 C ATOM 1323 CG LYS A 84 127.592 -8.071 -6.313 1.00 1.00 C ATOM 1324 CD LYS A 84 129.095 -8.299 -6.390 1.00 1.00 C ATOM 1325 CE LYS A 84 129.455 -9.635 -5.739 1.00 1.00 C ATOM 1326 NZ LYS A 84 130.936 -9.815 -5.767 1.00 1.00 N ATOM 0 H LYS A 84 126.050 -4.760 -8.071 1.00 1.00 H new ATOM 0 HA LYS A 84 125.299 -7.444 -7.069 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.680 -6.619 -7.908 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.762 -5.919 -6.303 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.253 -8.129 -5.279 1.00 1.00 H new ATOM 0 HG3 LYS A 84 127.063 -8.847 -6.866 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.419 -8.293 -7.431 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.621 -7.487 -5.888 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.094 -9.661 -4.711 1.00 1.00 H new ATOM 0 HE3 LYS A 84 128.968 -10.454 -6.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 131.184 -10.723 -5.325 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 131.268 -9.808 -6.753 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.390 -9.040 -5.243 1.00 1.00 H new ATOM 1340 N ASN A 85 124.155 -6.292 -5.180 1.00 1.00 N ATOM 1341 CA ASN A 85 123.527 -5.764 -3.965 1.00 1.00 C ATOM 1342 C ASN A 85 123.970 -6.489 -2.691 1.00 1.00 C ATOM 1343 O ASN A 85 123.889 -7.711 -2.571 1.00 1.00 O ATOM 1344 CB ASN A 85 122.004 -5.859 -4.091 1.00 1.00 C ATOM 1345 CG ASN A 85 121.337 -4.825 -3.188 1.00 1.00 C ATOM 1346 OD1 ASN A 85 121.954 -4.333 -2.244 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.105 -4.464 -3.423 1.00 1.00 N ATOM 0 H ASN A 85 123.615 -7.019 -5.650 1.00 1.00 H new ATOM 0 HA ASN A 85 123.848 -4.726 -3.873 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.706 -5.695 -5.127 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.671 -6.860 -3.818 1.00 1.00 H new ATOM 0 HD21 ASN A 85 119.653 -3.773 -2.824 1.00 1.00 H new ATOM 0 HD22 ASN A 85 119.594 -4.872 -4.206 1.00 1.00 H new ATOM 1354 N HIS A 86 124.427 -5.666 -1.745 1.00 1.00 N ATOM 1355 CA HIS A 86 124.886 -6.176 -0.452 1.00 1.00 C ATOM 1356 C HIS A 86 124.273 -5.372 0.685 1.00 1.00 C ATOM 1357 O HIS A 86 124.738 -5.441 1.823 1.00 1.00 O ATOM 1358 CB HIS A 86 126.408 -6.077 -0.354 1.00 1.00 C ATOM 1359 CG HIS A 86 127.042 -6.958 -1.387 1.00 1.00 C ATOM 1360 ND1 HIS A 86 126.897 -8.335 -1.372 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.837 -6.674 -2.467 1.00 1.00 C ATOM 1362 CE1 HIS A 86 127.592 -8.824 -2.414 1.00 1.00 C ATOM 1363 NE2 HIS A 86 128.184 -7.854 -3.114 1.00 1.00 N ATOM 0 H HIS A 86 124.489 -4.653 -1.848 1.00 1.00 H new ATOM 0 HA HIS A 86 124.577 -7.218 -0.372 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.724 -5.044 -0.500 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.737 -6.374 0.642 1.00 1.00 H new ATOM 0 HD1 HIS A 86 126.361 -8.878 -0.695 1.00 1.00 H new ATOM 0 HD2 HIS A 86 128.146 -5.684 -2.769 1.00 1.00 H new ATOM 0 HE1 HIS A 86 127.663 -9.874 -2.655 1.00 1.00 H new ATOM 1371 N GLN A 87 123.242 -4.599 0.382 1.00 1.00 N ATOM 1372 CA GLN A 87 122.598 -3.779 1.398 1.00 1.00 C ATOM 1373 C GLN A 87 121.592 -4.606 2.218 1.00 1.00 C ATOM 1374 O GLN A 87 120.921 -5.475 1.663 1.00 1.00 O ATOM 1375 CB GLN A 87 121.870 -2.620 0.720 1.00 1.00 C ATOM 1376 CG GLN A 87 122.857 -1.835 -0.143 1.00 1.00 C ATOM 1377 CD GLN A 87 122.268 -0.473 -0.493 1.00 1.00 C ATOM 1378 OE1 GLN A 87 121.413 -0.374 -1.373 1.00 1.00 O ATOM 1379 NE2 GLN A 87 122.675 0.586 0.150 1.00 1.00 N ATOM 0 H GLN A 87 122.835 -4.522 -0.550 1.00 1.00 H new ATOM 0 HA GLN A 87 123.363 -3.399 2.075 1.00 1.00 H new ATOM 0 HB2 GLN A 87 121.054 -2.999 0.105 1.00 1.00 H new ATOM 0 HB3 GLN A 87 121.426 -1.966 1.471 1.00 1.00 H new ATOM 0 HG2 GLN A 87 123.799 -1.708 0.390 1.00 1.00 H new ATOM 0 HG3 GLN A 87 123.079 -2.390 -1.054 1.00 1.00 H new ATOM 0 HE21 GLN A 87 123.384 0.499 0.878 1.00 1.00 H new ATOM 0 HE22 GLN A 87 122.285 1.501 -0.076 1.00 1.00 H new ATOM 1388 N PRO A 88 121.444 -4.354 3.510 1.00 1.00 N ATOM 1389 CA PRO A 88 120.458 -5.106 4.346 1.00 1.00 C ATOM 1390 C PRO A 88 119.043 -4.995 3.792 1.00 1.00 C ATOM 1391 O PRO A 88 118.699 -4.012 3.136 1.00 1.00 O ATOM 1392 CB PRO A 88 120.515 -4.436 5.721 1.00 1.00 C ATOM 1393 CG PRO A 88 121.787 -3.662 5.760 1.00 1.00 C ATOM 1394 CD PRO A 88 122.185 -3.360 4.316 1.00 1.00 C ATOM 0 HA PRO A 88 120.701 -6.168 4.371 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.657 -3.780 5.869 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.489 -5.180 6.517 1.00 1.00 H new ATOM 0 HG2 PRO A 88 121.656 -2.738 6.323 1.00 1.00 H new ATOM 0 HG3 PRO A 88 122.568 -4.233 6.262 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.916 -2.342 4.035 1.00 1.00 H new ATOM 0 HD3 PRO A 88 123.261 -3.456 4.173 1.00 1.00 H new ATOM 1402 N GLU A 89 118.232 -6.021 4.032 1.00 1.00 N ATOM 1403 CA GLU A 89 116.867 -6.033 3.525 1.00 1.00 C ATOM 1404 C GLU A 89 116.117 -4.764 3.915 1.00 1.00 C ATOM 1405 O GLU A 89 115.433 -4.180 3.084 1.00 1.00 O ATOM 1406 CB GLU A 89 116.125 -7.266 4.047 1.00 1.00 C ATOM 1407 CG GLU A 89 116.128 -7.265 5.574 1.00 1.00 C ATOM 1408 CD GLU A 89 115.593 -8.593 6.095 1.00 1.00 C ATOM 1409 OE1 GLU A 89 115.112 -9.372 5.288 1.00 1.00 O ATOM 1410 OE2 GLU A 89 115.675 -8.814 7.292 1.00 1.00 O ATOM 0 H GLU A 89 118.494 -6.847 4.570 1.00 1.00 H new ATOM 0 HA GLU A 89 116.912 -6.073 2.437 1.00 1.00 H new ATOM 0 HB2 GLU A 89 115.100 -7.269 3.676 1.00 1.00 H new ATOM 0 HB3 GLU A 89 116.601 -8.173 3.674 1.00 1.00 H new ATOM 0 HG2 GLU A 89 117.140 -7.100 5.944 1.00 1.00 H new ATOM 0 HG3 GLU A 89 115.515 -6.445 5.947 1.00 1.00 H new ATOM 1417 N GLU A 90 116.225 -4.334 5.170 1.00 1.00 N ATOM 1418 CA GLU A 90 115.508 -3.139 5.598 1.00 1.00 C ATOM 1419 C GLU A 90 115.930 -1.931 4.773 1.00 1.00 C ATOM 1420 O GLU A 90 115.101 -1.095 4.417 1.00 1.00 O ATOM 1421 CB GLU A 90 115.767 -2.860 7.087 1.00 1.00 C ATOM 1422 CG GLU A 90 115.158 -3.972 7.952 1.00 1.00 C ATOM 1423 CD GLU A 90 113.640 -4.006 7.787 1.00 1.00 C ATOM 1424 OE1 GLU A 90 113.085 -3.002 7.373 1.00 1.00 O ATOM 1425 OE2 GLU A 90 113.055 -5.036 8.080 1.00 1.00 O ATOM 0 H GLU A 90 116.788 -4.783 5.892 1.00 1.00 H new ATOM 0 HA GLU A 90 114.443 -3.315 5.447 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.839 -2.794 7.270 1.00 1.00 H new ATOM 0 HB3 GLU A 90 115.336 -1.898 7.364 1.00 1.00 H new ATOM 0 HG2 GLU A 90 115.582 -4.935 7.669 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.413 -3.807 8.999 1.00 1.00 H new ATOM 1432 N GLN A 91 117.215 -1.847 4.461 1.00 1.00 N ATOM 1433 CA GLN A 91 117.718 -0.733 3.668 1.00 1.00 C ATOM 1434 C GLN A 91 117.225 -0.850 2.230 1.00 1.00 C ATOM 1435 O GLN A 91 116.870 0.152 1.611 1.00 1.00 O ATOM 1436 CB GLN A 91 119.251 -0.710 3.698 1.00 1.00 C ATOM 1437 CG GLN A 91 119.764 0.542 2.979 1.00 1.00 C ATOM 1438 CD GLN A 91 121.273 0.669 3.163 1.00 1.00 C ATOM 1439 OE1 GLN A 91 121.848 0.029 4.044 1.00 1.00 O ATOM 1440 NE2 GLN A 91 121.953 1.464 2.381 1.00 1.00 N ATOM 0 H GLN A 91 117.922 -2.527 4.740 1.00 1.00 H new ATOM 0 HA GLN A 91 117.345 0.198 4.095 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.604 -0.719 4.729 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.647 -1.605 3.218 1.00 1.00 H new ATOM 0 HG2 GLN A 91 119.522 0.486 1.918 1.00 1.00 H new ATOM 0 HG3 GLN A 91 119.266 1.428 3.373 1.00 1.00 H new ATOM 0 HE21 GLN A 91 121.475 1.993 1.652 1.00 1.00 H new ATOM 0 HE22 GLN A 91 122.962 1.555 2.500 1.00 1.00 H new ATOM 1449 N ARG A 92 117.203 -2.067 1.696 1.00 1.00 N ATOM 1450 CA ARG A 92 116.752 -2.282 0.325 1.00 1.00 C ATOM 1451 C ARG A 92 115.264 -1.964 0.180 1.00 1.00 C ATOM 1452 O ARG A 92 114.855 -1.346 -0.804 1.00 1.00 O ATOM 1453 CB ARG A 92 117.018 -3.735 -0.085 1.00 1.00 C ATOM 1454 CG ARG A 92 118.528 -3.953 -0.213 1.00 1.00 C ATOM 1455 CD ARG A 92 118.821 -5.387 -0.668 1.00 1.00 C ATOM 1456 NE ARG A 92 118.507 -6.336 0.391 1.00 1.00 N ATOM 1457 CZ ARG A 92 118.622 -7.648 0.198 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.945 -8.111 -0.980 1.00 1.00 N ATOM 1459 NH2 ARG A 92 118.395 -8.474 1.182 1.00 1.00 N ATOM 0 H ARG A 92 117.490 -2.914 2.187 1.00 1.00 H new ATOM 0 HA ARG A 92 117.308 -1.611 -0.329 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.602 -4.417 0.656 1.00 1.00 H new ATOM 0 HB3 ARG A 92 116.525 -3.954 -1.032 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.945 -3.245 -0.929 1.00 1.00 H new ATOM 0 HG3 ARG A 92 119.013 -3.762 0.744 1.00 1.00 H new ATOM 0 HD2 ARG A 92 118.235 -5.619 -1.557 1.00 1.00 H new ATOM 0 HD3 ARG A 92 119.871 -5.479 -0.946 1.00 1.00 H new ATOM 0 HE ARG A 92 118.193 -5.989 1.297 1.00 1.00 H new ATOM 0 HH11 ARG A 92 119.110 -7.467 -1.754 1.00 1.00 H new ATOM 0 HH12 ARG A 92 119.033 -9.117 -1.126 1.00 1.00 H new ATOM 0 HH21 ARG A 92 118.129 -8.114 2.099 1.00 1.00 H new ATOM 0 HH22 ARG A 92 118.483 -9.479 1.034 1.00 1.00 H new ATOM 1473 N GLN A 93 114.455 -2.386 1.147 1.00 1.00 N ATOM 1474 CA GLN A 93 113.017 -2.132 1.085 1.00 1.00 C ATOM 1475 C GLN A 93 112.725 -0.632 1.141 1.00 1.00 C ATOM 1476 O GLN A 93 111.889 -0.125 0.392 1.00 1.00 O ATOM 1477 CB GLN A 93 112.321 -2.823 2.258 1.00 1.00 C ATOM 1478 CG GLN A 93 112.453 -4.342 2.123 1.00 1.00 C ATOM 1479 CD GLN A 93 111.623 -4.849 0.948 1.00 1.00 C ATOM 1480 OE1 GLN A 93 110.520 -4.360 0.708 1.00 1.00 O ATOM 1481 NE2 GLN A 93 112.085 -5.818 0.206 1.00 1.00 N ATOM 0 H GLN A 93 114.764 -2.899 1.973 1.00 1.00 H new ATOM 0 HA GLN A 93 112.641 -2.528 0.142 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.762 -2.493 3.199 1.00 1.00 H new ATOM 0 HB3 GLN A 93 111.268 -2.542 2.284 1.00 1.00 H new ATOM 0 HG2 GLN A 93 113.500 -4.610 1.979 1.00 1.00 H new ATOM 0 HG3 GLN A 93 112.124 -4.825 3.043 1.00 1.00 H new ATOM 0 HE21 GLN A 93 113.000 -6.222 0.406 1.00 1.00 H new ATOM 0 HE22 GLN A 93 111.531 -6.171 -0.574 1.00 1.00 H new ATOM 1490 N LYS A 94 113.403 0.068 2.047 1.00 1.00 N ATOM 1491 CA LYS A 94 113.197 1.505 2.214 1.00 1.00 C ATOM 1492 C LYS A 94 113.536 2.262 0.936 1.00 1.00 C ATOM 1493 O LYS A 94 112.812 3.167 0.520 1.00 1.00 O ATOM 1494 CB LYS A 94 114.091 2.018 3.350 1.00 1.00 C ATOM 1495 CG LYS A 94 113.785 3.494 3.621 1.00 1.00 C ATOM 1496 CD LYS A 94 114.560 3.977 4.857 1.00 1.00 C ATOM 1497 CE LYS A 94 116.045 4.162 4.518 1.00 1.00 C ATOM 1498 NZ LYS A 94 116.724 4.881 5.634 1.00 1.00 N ATOM 0 H LYS A 94 114.098 -0.335 2.676 1.00 1.00 H new ATOM 0 HA LYS A 94 112.146 1.674 2.450 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.922 1.430 4.252 1.00 1.00 H new ATOM 0 HB3 LYS A 94 115.141 1.897 3.082 1.00 1.00 H new ATOM 0 HG2 LYS A 94 114.058 4.095 2.754 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.715 3.628 3.778 1.00 1.00 H new ATOM 0 HD2 LYS A 94 114.141 4.919 5.212 1.00 1.00 H new ATOM 0 HD3 LYS A 94 114.452 3.255 5.667 1.00 1.00 H new ATOM 0 HE2 LYS A 94 116.516 3.192 4.356 1.00 1.00 H new ATOM 0 HE3 LYS A 94 116.150 4.726 3.591 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 117.413 5.556 5.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 116.017 5.395 6.197 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 117.217 4.195 6.240 1.00 1.00 H new ATOM 1512 N ASN A 95 114.653 1.893 0.334 1.00 1.00 N ATOM 1513 CA ASN A 95 115.105 2.551 -0.881 1.00 1.00 C ATOM 1514 C ASN A 95 114.093 2.370 -2.014 1.00 1.00 C ATOM 1515 O ASN A 95 113.847 3.306 -2.776 1.00 1.00 O ATOM 1516 CB ASN A 95 116.464 1.991 -1.290 1.00 1.00 C ATOM 1517 CG ASN A 95 117.510 2.354 -0.237 1.00 1.00 C ATOM 1518 OD1 ASN A 95 118.502 1.644 -0.077 1.00 1.00 O ATOM 1519 ND2 ASN A 95 117.348 3.421 0.502 1.00 1.00 N ATOM 0 H ASN A 95 115.262 1.144 0.664 1.00 1.00 H new ATOM 0 HA ASN A 95 115.198 3.619 -0.684 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.404 0.908 -1.398 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.756 2.393 -2.260 1.00 1.00 H new ATOM 0 HD21 ASN A 95 118.043 3.662 1.208 1.00 1.00 H new ATOM 0 HD22 ASN A 95 116.527 4.012 0.372 1.00 1.00 H new ATOM 1526 N GLN A 96 113.495 1.184 -2.131 1.00 1.00 N ATOM 1527 CA GLN A 96 112.514 0.940 -3.178 1.00 1.00 C ATOM 1528 C GLN A 96 111.279 1.795 -2.945 1.00 1.00 C ATOM 1529 O GLN A 96 110.697 2.328 -3.890 1.00 1.00 O ATOM 1530 CB GLN A 96 112.131 -0.543 -3.198 1.00 1.00 C ATOM 1531 CG GLN A 96 113.328 -1.369 -3.681 1.00 1.00 C ATOM 1532 CD GLN A 96 113.009 -2.858 -3.593 1.00 1.00 C ATOM 1533 OE1 GLN A 96 111.979 -3.305 -4.096 1.00 1.00 O ATOM 1534 NE2 GLN A 96 113.836 -3.655 -2.972 1.00 1.00 N ATOM 0 H GLN A 96 113.673 0.388 -1.519 1.00 1.00 H new ATOM 0 HA GLN A 96 112.949 1.207 -4.141 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.830 -0.866 -2.201 1.00 1.00 H new ATOM 0 HB3 GLN A 96 111.276 -0.701 -3.856 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.573 -1.102 -4.709 1.00 1.00 H new ATOM 0 HG3 GLN A 96 114.205 -1.141 -3.075 1.00 1.00 H new ATOM 0 HE21 GLN A 96 114.689 -3.281 -2.556 1.00 1.00 H new ATOM 0 HE22 GLN A 96 113.629 -4.651 -2.903 1.00 1.00 H new ATOM 1543 N GLU A 97 110.881 1.929 -1.682 1.00 1.00 N ATOM 1544 CA GLU A 97 109.709 2.727 -1.355 1.00 1.00 C ATOM 1545 C GLU A 97 109.933 4.195 -1.698 1.00 1.00 C ATOM 1546 O GLU A 97 109.053 4.862 -2.237 1.00 1.00 O ATOM 1547 CB GLU A 97 109.368 2.601 0.131 1.00 1.00 C ATOM 1548 CG GLU A 97 108.834 1.198 0.425 1.00 1.00 C ATOM 1549 CD GLU A 97 108.495 1.075 1.908 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.644 2.060 2.611 1.00 1.00 O ATOM 1551 OE2 GLU A 97 108.086 0.000 2.314 1.00 1.00 O ATOM 0 H GLU A 97 111.346 1.501 -0.881 1.00 1.00 H new ATOM 0 HA GLU A 97 108.878 2.348 -1.949 1.00 1.00 H new ATOM 0 HB2 GLU A 97 110.255 2.796 0.734 1.00 1.00 H new ATOM 0 HB3 GLU A 97 108.624 3.348 0.407 1.00 1.00 H new ATOM 0 HG2 GLU A 97 107.947 1.003 -0.178 1.00 1.00 H new ATOM 0 HG3 GLU A 97 109.578 0.450 0.149 1.00 1.00 H new ATOM 1558 N LEU A 98 111.122 4.691 -1.370 1.00 1.00 N ATOM 1559 CA LEU A 98 111.488 6.079 -1.620 1.00 1.00 C ATOM 1560 C LEU A 98 111.534 6.357 -3.122 1.00 1.00 C ATOM 1561 O LEU A 98 111.123 7.421 -3.586 1.00 1.00 O ATOM 1562 CB LEU A 98 112.860 6.327 -0.982 1.00 1.00 C ATOM 1563 CG LEU A 98 113.093 7.815 -0.703 1.00 1.00 C ATOM 1564 CD1 LEU A 98 112.106 8.322 0.350 1.00 1.00 C ATOM 1565 CD2 LEU A 98 114.515 7.989 -0.168 1.00 1.00 C ATOM 0 H LEU A 98 111.857 4.142 -0.924 1.00 1.00 H new ATOM 0 HA LEU A 98 110.747 6.749 -1.185 1.00 1.00 H new ATOM 0 HB2 LEU A 98 112.935 5.766 -0.051 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.642 5.954 -1.643 1.00 1.00 H new ATOM 0 HG LEU A 98 112.950 8.381 -1.624 1.00 1.00 H new ATOM 0 HD11 LEU A 98 112.285 9.381 0.537 1.00 1.00 H new ATOM 0 HD12 LEU A 98 111.087 8.184 -0.011 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.242 7.762 1.275 1.00 1.00 H new ATOM 0 HD21 LEU A 98 114.700 9.043 0.037 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.631 7.415 0.751 1.00 1.00 H new ATOM 0 HD23 LEU A 98 115.229 7.633 -0.910 1.00 1.00 H new ATOM 1577 N LYS A 99 112.057 5.388 -3.866 1.00 1.00 N ATOM 1578 CA LYS A 99 112.181 5.521 -5.310 1.00 1.00 C ATOM 1579 C LYS A 99 110.808 5.688 -5.924 1.00 1.00 C ATOM 1580 O LYS A 99 110.623 6.462 -6.862 1.00 1.00 O ATOM 1581 CB LYS A 99 112.842 4.267 -5.889 1.00 1.00 C ATOM 1582 CG LYS A 99 113.111 4.460 -7.383 1.00 1.00 C ATOM 1583 CD LYS A 99 113.828 3.223 -7.930 1.00 1.00 C ATOM 1584 CE LYS A 99 114.075 3.385 -9.432 1.00 1.00 C ATOM 1585 NZ LYS A 99 115.025 4.509 -9.666 1.00 1.00 N ATOM 0 H LYS A 99 112.401 4.504 -3.492 1.00 1.00 H new ATOM 0 HA LYS A 99 112.793 6.394 -5.537 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.777 4.064 -5.366 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.197 3.402 -5.736 1.00 1.00 H new ATOM 0 HG2 LYS A 99 112.173 4.617 -7.916 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.721 5.349 -7.543 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.776 3.082 -7.410 1.00 1.00 H new ATOM 0 HD3 LYS A 99 113.227 2.332 -7.745 1.00 1.00 H new ATOM 0 HE2 LYS A 99 114.480 2.461 -9.845 1.00 1.00 H new ATOM 0 HE3 LYS A 99 113.134 3.578 -9.946 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 115.769 4.203 -10.325 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 114.513 5.318 -10.073 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 115.457 4.792 -8.763 1.00 1.00 H new ATOM 1599 N ALA A 100 109.845 4.962 -5.388 1.00 1.00 N ATOM 1600 CA ALA A 100 108.493 5.041 -5.889 1.00 1.00 C ATOM 1601 C ALA A 100 107.788 6.284 -5.365 1.00 1.00 C ATOM 1602 O ALA A 100 106.971 6.888 -6.057 1.00 1.00 O ATOM 1603 CB ALA A 100 107.719 3.810 -5.466 1.00 1.00 C ATOM 0 H ALA A 100 109.976 4.315 -4.610 1.00 1.00 H new ATOM 0 HA ALA A 100 108.536 5.098 -6.977 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.699 3.873 -5.846 1.00 1.00 H new ATOM 0 HB2 ALA A 100 108.202 2.920 -5.869 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.698 3.750 -4.378 1.00 1.00 H new ATOM 1609 N GLN A 101 108.075 6.633 -4.118 1.00 1.00 N ATOM 1610 CA GLN A 101 107.432 7.761 -3.489 1.00 1.00 C ATOM 1611 C GLN A 101 107.635 9.048 -4.269 1.00 1.00 C ATOM 1612 O GLN A 101 106.688 9.805 -4.478 1.00 1.00 O ATOM 1613 CB GLN A 101 107.971 7.918 -2.068 1.00 1.00 C ATOM 1614 CG GLN A 101 107.211 9.033 -1.368 1.00 1.00 C ATOM 1615 CD GLN A 101 107.602 9.096 0.104 1.00 1.00 C ATOM 1616 OE1 GLN A 101 108.110 8.120 0.656 1.00 1.00 O ATOM 1617 NE2 GLN A 101 107.397 10.196 0.776 1.00 1.00 N ATOM 0 H GLN A 101 108.750 6.146 -3.528 1.00 1.00 H new ATOM 0 HA GLN A 101 106.360 7.567 -3.466 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.859 6.984 -1.518 1.00 1.00 H new ATOM 0 HB3 GLN A 101 109.036 8.147 -2.093 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.426 9.987 -1.850 1.00 1.00 H new ATOM 0 HG3 GLN A 101 106.138 8.864 -1.459 1.00 1.00 H new ATOM 0 HE21 GLN A 101 106.976 11.003 0.316 1.00 1.00 H new ATOM 0 HE22 GLN A 101 107.658 10.248 1.761 1.00 1.00 H new ATOM 1626 N TYR A 102 108.870 9.312 -4.668 1.00 1.00 N ATOM 1627 CA TYR A 102 109.150 10.544 -5.385 1.00 1.00 C ATOM 1628 C TYR A 102 109.080 10.372 -6.892 1.00 1.00 C ATOM 1629 O TYR A 102 109.529 11.230 -7.650 1.00 1.00 O ATOM 1630 CB TYR A 102 110.518 11.116 -4.984 1.00 1.00 C ATOM 1631 CG TYR A 102 110.420 11.770 -3.613 1.00 1.00 C ATOM 1632 CD1 TYR A 102 109.525 12.833 -3.392 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.203 11.293 -2.549 1.00 1.00 C ATOM 1634 CE1 TYR A 102 109.420 13.409 -2.123 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.087 11.869 -1.277 1.00 1.00 C ATOM 1636 CZ TYR A 102 110.196 12.926 -1.066 1.00 1.00 C ATOM 1637 OH TYR A 102 110.078 13.490 0.188 1.00 1.00 O ATOM 0 H TYR A 102 109.676 8.706 -4.512 1.00 1.00 H new ATOM 0 HA TYR A 102 108.369 11.249 -5.100 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.264 10.321 -4.966 1.00 1.00 H new ATOM 0 HB3 TYR A 102 110.848 11.846 -5.723 1.00 1.00 H new ATOM 0 HD1 TYR A 102 108.918 13.204 -4.204 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.896 10.481 -2.712 1.00 1.00 H new ATOM 0 HE1 TYR A 102 108.737 14.230 -1.959 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.686 11.497 -0.459 1.00 1.00 H new ATOM 0 HH TYR A 102 110.269 12.813 0.870 1.00 1.00 H new ATOM 1647 N LYS A 103 108.473 9.262 -7.317 1.00 1.00 N ATOM 1648 CA LYS A 103 108.296 8.993 -8.737 1.00 1.00 C ATOM 1649 C LYS A 103 109.621 9.077 -9.466 1.00 1.00 C ATOM 1650 O LYS A 103 109.738 9.765 -10.481 1.00 1.00 O ATOM 1651 CB LYS A 103 107.318 10.005 -9.340 1.00 1.00 C ATOM 1652 CG LYS A 103 105.916 9.753 -8.779 1.00 1.00 C ATOM 1653 CD LYS A 103 104.921 10.727 -9.417 1.00 1.00 C ATOM 1654 CE LYS A 103 103.505 10.387 -8.943 1.00 1.00 C ATOM 1655 NZ LYS A 103 103.411 10.582 -7.468 1.00 1.00 N ATOM 0 H LYS A 103 108.099 8.542 -6.699 1.00 1.00 H new ATOM 0 HA LYS A 103 107.896 7.985 -8.849 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.638 11.020 -9.106 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.309 9.916 -10.426 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.613 8.725 -8.980 1.00 1.00 H new ATOM 0 HG3 LYS A 103 105.919 9.879 -7.696 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.172 11.752 -9.144 1.00 1.00 H new ATOM 0 HD3 LYS A 103 104.978 10.663 -10.504 1.00 1.00 H new ATOM 0 HE2 LYS A 103 102.779 11.021 -9.451 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.262 9.356 -9.200 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 102.411 10.635 -7.188 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 103.864 9.782 -6.982 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 103.892 11.465 -7.203 1.00 1.00 H new ATOM 1669 N VAL A 104 110.622 8.393 -8.943 1.00 1.00 N ATOM 1670 CA VAL A 104 111.935 8.418 -9.550 1.00 1.00 C ATOM 1671 C VAL A 104 112.079 7.271 -10.549 1.00 1.00 C ATOM 1672 O VAL A 104 111.866 6.108 -10.203 1.00 1.00 O ATOM 1673 CB VAL A 104 112.989 8.341 -8.451 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.378 8.318 -9.076 1.00 1.00 C ATOM 1675 CG2 VAL A 104 112.856 9.572 -7.548 1.00 1.00 C ATOM 0 H VAL A 104 110.550 7.817 -8.104 1.00 1.00 H new ATOM 0 HA VAL A 104 112.074 9.347 -10.102 1.00 1.00 H new ATOM 0 HB VAL A 104 112.844 7.434 -7.865 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.130 8.263 -8.289 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.470 7.449 -9.727 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.529 9.226 -9.660 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.606 9.527 -6.758 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.006 10.475 -8.140 1.00 1.00 H new ATOM 0 HG23 VAL A 104 111.861 9.591 -7.103 1.00 1.00 H new ATOM 1685 N THR A 105 112.415 7.611 -11.795 1.00 1.00 N ATOM 1686 CA THR A 105 112.551 6.614 -12.848 1.00 1.00 C ATOM 1687 C THR A 105 113.941 6.617 -13.463 1.00 1.00 C ATOM 1688 O THR A 105 114.549 5.567 -13.662 1.00 1.00 O ATOM 1689 CB THR A 105 111.520 6.889 -13.942 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.457 8.287 -14.189 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.143 6.382 -13.505 1.00 1.00 C ATOM 0 H THR A 105 112.597 8.569 -12.095 1.00 1.00 H new ATOM 0 HA THR A 105 112.385 5.635 -12.399 1.00 1.00 H new ATOM 0 HB THR A 105 111.816 6.369 -14.853 1.00 1.00 H new ATOM 0 HG1 THR A 105 110.798 8.466 -14.892 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.415 6.583 -14.291 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.192 5.309 -13.321 1.00 1.00 H new ATOM 0 HG23 THR A 105 109.840 6.893 -12.591 1.00 1.00 H new ATOM 1699 N GLY A 106 114.419 7.807 -13.798 1.00 1.00 N ATOM 1700 CA GLY A 106 115.720 7.942 -14.433 1.00 1.00 C ATOM 1701 C GLY A 106 116.789 8.385 -13.452 1.00 1.00 C ATOM 1702 O GLY A 106 116.521 9.123 -12.504 1.00 1.00 O ATOM 0 H GLY A 106 113.928 8.687 -13.641 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.008 6.989 -14.876 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.653 8.664 -15.247 1.00 1.00 H new ATOM 1706 N PHE A 107 118.008 7.938 -13.708 1.00 1.00 N ATOM 1707 CA PHE A 107 119.153 8.288 -12.880 1.00 1.00 C ATOM 1708 C PHE A 107 120.255 8.881 -13.770 1.00 1.00 C ATOM 1709 O PHE A 107 120.351 8.529 -14.947 1.00 1.00 O ATOM 1710 CB PHE A 107 119.687 7.041 -12.173 1.00 1.00 C ATOM 1711 CG PHE A 107 119.272 5.802 -12.932 1.00 1.00 C ATOM 1712 CD1 PHE A 107 120.039 5.350 -14.014 1.00 1.00 C ATOM 1713 CD2 PHE A 107 118.123 5.099 -12.547 1.00 1.00 C ATOM 1714 CE1 PHE A 107 119.656 4.197 -14.711 1.00 1.00 C ATOM 1715 CE2 PHE A 107 117.740 3.948 -13.245 1.00 1.00 C ATOM 1716 CZ PHE A 107 118.506 3.496 -14.325 1.00 1.00 C ATOM 0 H PHE A 107 118.232 7.325 -14.492 1.00 1.00 H new ATOM 0 HA PHE A 107 118.847 9.019 -12.131 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.774 7.089 -12.104 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.304 6.999 -11.153 1.00 1.00 H new ATOM 0 HD1 PHE A 107 120.926 5.891 -14.311 1.00 1.00 H new ATOM 0 HD2 PHE A 107 117.533 5.445 -11.711 1.00 1.00 H new ATOM 0 HE1 PHE A 107 120.247 3.849 -15.545 1.00 1.00 H new ATOM 0 HE2 PHE A 107 116.852 3.408 -12.950 1.00 1.00 H new ATOM 0 HZ PHE A 107 118.211 2.606 -14.861 1.00 1.00 H new ATOM 1726 N PRO A 108 121.087 9.758 -13.255 1.00 1.00 N ATOM 1727 CA PRO A 108 121.033 10.234 -11.843 1.00 1.00 C ATOM 1728 C PRO A 108 119.955 11.283 -11.632 1.00 1.00 C ATOM 1729 O PRO A 108 119.766 12.161 -12.475 1.00 1.00 O ATOM 1730 CB PRO A 108 122.412 10.841 -11.626 1.00 1.00 C ATOM 1731 CG PRO A 108 122.828 11.343 -12.969 1.00 1.00 C ATOM 1732 CD PRO A 108 122.185 10.406 -13.996 1.00 1.00 C ATOM 0 HA PRO A 108 120.790 9.430 -11.148 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.377 11.649 -10.896 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.115 10.099 -11.247 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.497 12.371 -13.120 1.00 1.00 H new ATOM 0 HG3 PRO A 108 123.914 11.340 -13.066 1.00 1.00 H new ATOM 0 HD2 PRO A 108 121.812 10.957 -14.860 1.00 1.00 H new ATOM 0 HD3 PRO A 108 122.900 9.673 -14.370 1.00 1.00 H new ATOM 1740 N GLU A 109 119.258 11.205 -10.503 1.00 1.00 N ATOM 1741 CA GLU A 109 118.219 12.177 -10.204 1.00 1.00 C ATOM 1742 C GLU A 109 118.341 12.637 -8.763 1.00 1.00 C ATOM 1743 O GLU A 109 118.383 11.819 -7.842 1.00 1.00 O ATOM 1744 CB GLU A 109 116.829 11.576 -10.430 1.00 1.00 C ATOM 1745 CG GLU A 109 115.772 12.664 -10.217 1.00 1.00 C ATOM 1746 CD GLU A 109 114.379 12.118 -10.506 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.291 11.069 -11.123 1.00 1.00 O ATOM 1748 OE2 GLU A 109 113.421 12.760 -10.110 1.00 1.00 O ATOM 0 H GLU A 109 119.393 10.488 -9.790 1.00 1.00 H new ATOM 0 HA GLU A 109 118.346 13.028 -10.873 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.754 11.171 -11.439 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.661 10.748 -9.741 1.00 1.00 H new ATOM 0 HG2 GLU A 109 115.820 13.030 -9.191 1.00 1.00 H new ATOM 0 HG3 GLU A 109 115.979 13.513 -10.869 1.00 1.00 H new ATOM 1755 N LEU A 110 118.386 13.945 -8.568 1.00 1.00 N ATOM 1756 CA LEU A 110 118.486 14.523 -7.240 1.00 1.00 C ATOM 1757 C LEU A 110 117.203 15.298 -6.977 1.00 1.00 C ATOM 1758 O LEU A 110 116.851 16.209 -7.726 1.00 1.00 O ATOM 1759 CB LEU A 110 119.710 15.456 -7.197 1.00 1.00 C ATOM 1760 CG LEU A 110 120.560 15.243 -5.928 1.00 1.00 C ATOM 1761 CD1 LEU A 110 121.940 15.881 -6.125 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.904 15.904 -4.721 1.00 1.00 C ATOM 0 H LEU A 110 118.354 14.632 -9.322 1.00 1.00 H new ATOM 0 HA LEU A 110 118.611 13.756 -6.476 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.327 15.284 -8.079 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.376 16.493 -7.239 1.00 1.00 H new ATOM 0 HG LEU A 110 120.648 14.170 -5.755 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.542 15.731 -5.228 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.437 15.417 -6.977 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.824 16.949 -6.310 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.521 15.741 -3.837 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.804 16.974 -4.902 1.00 1.00 H new ATOM 0 HD23 LEU A 110 118.917 15.470 -4.560 1.00 1.00 H new ATOM 1774 N VAL A 111 116.502 14.909 -5.922 1.00 1.00 N ATOM 1775 CA VAL A 111 115.240 15.548 -5.572 1.00 1.00 C ATOM 1776 C VAL A 111 115.353 16.264 -4.242 1.00 1.00 C ATOM 1777 O VAL A 111 115.816 15.682 -3.261 1.00 1.00 O ATOM 1778 CB VAL A 111 114.132 14.500 -5.489 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.643 14.155 -6.892 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.698 13.260 -4.835 1.00 1.00 C ATOM 0 H VAL A 111 116.784 14.156 -5.294 1.00 1.00 H new ATOM 0 HA VAL A 111 114.999 16.277 -6.346 1.00 1.00 H new ATOM 0 HB VAL A 111 113.295 14.887 -4.907 1.00 1.00 H new ATOM 0 HG11 VAL A 111 112.853 13.407 -6.828 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.255 15.053 -7.373 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.471 13.758 -7.479 1.00 1.00 H new ATOM 0 HG21 VAL A 111 113.921 12.498 -4.766 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.527 12.880 -5.432 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.054 13.507 -3.835 1.00 1.00 H new ATOM 1790 N PHE A 112 114.936 17.512 -4.205 1.00 1.00 N ATOM 1791 CA PHE A 112 115.011 18.286 -2.982 1.00 1.00 C ATOM 1792 C PHE A 112 113.668 18.290 -2.291 1.00 1.00 C ATOM 1793 O PHE A 112 112.652 18.651 -2.887 1.00 1.00 O ATOM 1794 CB PHE A 112 115.448 19.710 -3.307 1.00 1.00 C ATOM 1795 CG PHE A 112 116.818 19.635 -3.923 1.00 1.00 C ATOM 1796 CD1 PHE A 112 117.943 19.542 -3.102 1.00 1.00 C ATOM 1797 CD2 PHE A 112 116.955 19.623 -5.312 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.218 19.436 -3.674 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.228 19.524 -5.889 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.360 19.427 -5.069 1.00 1.00 C ATOM 0 H PHE A 112 114.543 18.011 -5.003 1.00 1.00 H new ATOM 0 HA PHE A 112 115.743 17.836 -2.311 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.744 20.179 -3.994 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.467 20.320 -2.404 1.00 1.00 H new ATOM 0 HD1 PHE A 112 117.831 19.552 -2.028 1.00 1.00 H new ATOM 0 HD2 PHE A 112 116.080 19.690 -5.942 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.090 19.361 -3.041 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.336 19.522 -6.964 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.342 19.345 -5.511 1.00 1.00 H new ATOM 1810 N ILE A 113 113.673 17.877 -1.027 1.00 1.00 N ATOM 1811 CA ILE A 113 112.452 17.834 -0.247 1.00 1.00 C ATOM 1812 C ILE A 113 112.621 18.548 1.070 1.00 1.00 C ATOM 1813 O ILE A 113 113.724 18.673 1.597 1.00 1.00 O ATOM 1814 CB ILE A 113 111.999 16.388 0.004 1.00 1.00 C ATOM 1815 CG1 ILE A 113 113.109 15.618 0.724 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.668 15.705 -1.327 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.598 14.236 1.140 1.00 1.00 C ATOM 0 H ILE A 113 114.508 17.570 -0.528 1.00 1.00 H new ATOM 0 HA ILE A 113 111.684 18.344 -0.828 1.00 1.00 H new ATOM 0 HB ILE A 113 111.106 16.396 0.628 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.975 15.514 0.070 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.438 16.173 1.602 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.348 14.680 -1.140 1.00 1.00 H new ATOM 0 HG22 ILE A 113 110.867 16.250 -1.826 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.553 15.698 -1.963 1.00 1.00 H new ATOM 0 HD11 ILE A 113 113.393 13.693 1.652 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.746 14.350 1.810 1.00 1.00 H new ATOM 0 HD13 ILE A 113 112.291 13.680 0.254 1.00 1.00 H new ATOM 1829 N ASP A 114 111.493 18.957 1.619 1.00 1.00 N ATOM 1830 CA ASP A 114 111.481 19.596 2.906 1.00 1.00 C ATOM 1831 C ASP A 114 111.286 18.499 3.924 1.00 1.00 C ATOM 1832 O ASP A 114 111.227 17.320 3.572 1.00 1.00 O ATOM 1833 CB ASP A 114 110.344 20.615 3.000 1.00 1.00 C ATOM 1834 CG ASP A 114 110.513 21.465 4.254 1.00 1.00 C ATOM 1835 OD1 ASP A 114 111.612 21.487 4.784 1.00 1.00 O ATOM 1836 OD2 ASP A 114 109.542 22.077 4.667 1.00 1.00 O ATOM 0 H ASP A 114 110.575 18.854 1.187 1.00 1.00 H new ATOM 0 HA ASP A 114 112.410 20.139 3.078 1.00 1.00 H new ATOM 0 HB2 ASP A 114 110.341 21.252 2.116 1.00 1.00 H new ATOM 0 HB3 ASP A 114 109.384 20.100 3.025 1.00 1.00 H new ATOM 1841 N ALA A 115 111.213 18.868 5.177 1.00 1.00 N ATOM 1842 CA ALA A 115 111.056 17.898 6.246 1.00 1.00 C ATOM 1843 C ALA A 115 109.675 17.247 6.215 1.00 1.00 C ATOM 1844 O ALA A 115 109.447 16.240 6.886 1.00 1.00 O ATOM 1845 CB ALA A 115 111.251 18.604 7.584 1.00 1.00 C ATOM 0 H ALA A 115 111.259 19.838 5.490 1.00 1.00 H new ATOM 0 HA ALA A 115 111.800 17.113 6.112 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.135 17.885 8.395 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.250 19.038 7.624 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.507 19.394 7.690 1.00 1.00 H new ATOM 1851 N GLU A 116 108.759 17.805 5.431 1.00 1.00 N ATOM 1852 CA GLU A 116 107.416 17.246 5.326 1.00 1.00 C ATOM 1853 C GLU A 116 107.309 16.393 4.067 1.00 1.00 C ATOM 1854 O GLU A 116 106.256 15.824 3.781 1.00 1.00 O ATOM 1855 CB GLU A 116 106.381 18.370 5.279 1.00 1.00 C ATOM 1856 CG GLU A 116 106.372 19.104 6.621 1.00 1.00 C ATOM 1857 CD GLU A 116 105.403 20.280 6.565 1.00 1.00 C ATOM 1858 OE1 GLU A 116 104.744 20.432 5.552 1.00 1.00 O ATOM 1859 OE2 GLU A 116 105.333 21.010 7.540 1.00 1.00 O ATOM 0 H GLU A 116 108.920 18.637 4.863 1.00 1.00 H new ATOM 0 HA GLU A 116 107.223 16.624 6.200 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.618 19.065 4.473 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.393 17.962 5.068 1.00 1.00 H new ATOM 0 HG2 GLU A 116 106.080 18.419 7.417 1.00 1.00 H new ATOM 0 HG3 GLU A 116 107.375 19.459 6.857 1.00 1.00 H new ATOM 1866 N GLY A 117 108.405 16.290 3.327 1.00 1.00 N ATOM 1867 CA GLY A 117 108.411 15.480 2.120 1.00 1.00 C ATOM 1868 C GLY A 117 107.890 16.255 0.918 1.00 1.00 C ATOM 1869 O GLY A 117 107.559 15.656 -0.106 1.00 1.00 O ATOM 0 H GLY A 117 109.290 16.751 3.539 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.425 15.135 1.919 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.797 14.593 2.274 1.00 1.00 H new ATOM 1873 N LYS A 118 107.818 17.581 1.018 1.00 1.00 N ATOM 1874 CA LYS A 118 107.340 18.375 -0.102 1.00 1.00 C ATOM 1875 C LYS A 118 108.484 18.600 -1.057 1.00 1.00 C ATOM 1876 O LYS A 118 109.586 18.877 -0.626 1.00 1.00 O ATOM 1877 CB LYS A 118 106.795 19.718 0.379 1.00 1.00 C ATOM 1878 CG LYS A 118 105.388 19.520 0.931 1.00 1.00 C ATOM 1879 CD LYS A 118 104.855 20.858 1.454 1.00 1.00 C ATOM 1880 CE LYS A 118 103.465 20.659 2.061 1.00 1.00 C ATOM 1881 NZ LYS A 118 102.981 21.951 2.625 1.00 1.00 N ATOM 0 H LYS A 118 108.079 18.115 1.846 1.00 1.00 H new ATOM 0 HA LYS A 118 106.532 17.841 -0.602 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.445 20.133 1.149 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.778 20.433 -0.444 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.731 19.133 0.152 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.400 18.782 1.733 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.535 21.263 2.204 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.807 21.584 0.642 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.772 20.299 1.300 1.00 1.00 H new ATOM 0 HE3 LYS A 118 103.503 19.900 2.842 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 102.036 21.817 3.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.638 22.276 3.363 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 102.930 22.663 1.868 1.00 1.00 H new ATOM 1895 N GLN A 119 108.228 18.477 -2.350 1.00 1.00 N ATOM 1896 CA GLN A 119 109.268 18.657 -3.345 1.00 1.00 C ATOM 1897 C GLN A 119 109.476 20.137 -3.647 1.00 1.00 C ATOM 1898 O GLN A 119 108.539 20.831 -4.043 1.00 1.00 O ATOM 1899 CB GLN A 119 108.877 17.889 -4.614 1.00 1.00 C ATOM 1900 CG GLN A 119 109.488 18.562 -5.838 1.00 1.00 C ATOM 1901 CD GLN A 119 109.426 17.629 -7.043 1.00 1.00 C ATOM 1902 OE1 GLN A 119 109.337 16.411 -6.885 1.00 1.00 O ATOM 1903 NE2 GLN A 119 109.462 18.134 -8.245 1.00 1.00 N ATOM 0 H GLN A 119 107.309 18.253 -2.733 1.00 1.00 H new ATOM 0 HA GLN A 119 110.211 18.267 -2.962 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.222 16.857 -4.546 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.792 17.857 -4.710 1.00 1.00 H new ATOM 0 HG2 GLN A 119 108.954 19.486 -6.058 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.524 18.833 -5.633 1.00 1.00 H new ATOM 0 HE21 GLN A 119 109.536 19.143 -8.372 1.00 1.00 H new ATOM 0 HE22 GLN A 119 109.416 17.520 -9.058 1.00 1.00 H new ATOM 1912 N LEU A 120 110.710 20.613 -3.469 1.00 1.00 N ATOM 1913 CA LEU A 120 111.004 22.018 -3.740 1.00 1.00 C ATOM 1914 C LEU A 120 111.650 22.155 -5.108 1.00 1.00 C ATOM 1915 O LEU A 120 111.503 23.185 -5.768 1.00 1.00 O ATOM 1916 CB LEU A 120 111.937 22.636 -2.680 1.00 1.00 C ATOM 1917 CG LEU A 120 112.191 21.665 -1.526 1.00 1.00 C ATOM 1918 CD1 LEU A 120 113.233 22.245 -0.580 1.00 1.00 C ATOM 1919 CD2 LEU A 120 110.919 21.436 -0.717 1.00 1.00 C ATOM 0 H LEU A 120 111.504 20.060 -3.146 1.00 1.00 H new ATOM 0 HA LEU A 120 110.056 22.556 -3.709 1.00 1.00 H new ATOM 0 HB2 LEU A 120 112.885 22.909 -3.143 1.00 1.00 H new ATOM 0 HB3 LEU A 120 111.494 23.554 -2.294 1.00 1.00 H new ATOM 0 HG LEU A 120 112.534 20.725 -1.958 1.00 1.00 H new ATOM 0 HD11 LEU A 120 113.409 21.548 0.239 1.00 1.00 H new ATOM 0 HD12 LEU A 120 114.164 22.410 -1.122 1.00 1.00 H new ATOM 0 HD13 LEU A 120 112.873 23.193 -0.179 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.126 20.742 0.098 1.00 1.00 H new ATOM 0 HD22 LEU A 120 110.573 22.385 -0.306 1.00 1.00 H new ATOM 0 HD23 LEU A 120 110.147 21.017 -1.363 1.00 1.00 H new ATOM 1931 N ALA A 121 112.355 21.107 -5.544 1.00 1.00 N ATOM 1932 CA ALA A 121 113.008 21.119 -6.845 1.00 1.00 C ATOM 1933 C ALA A 121 113.661 19.771 -7.144 1.00 1.00 C ATOM 1934 O ALA A 121 113.857 18.955 -6.245 1.00 1.00 O ATOM 1935 CB ALA A 121 114.084 22.197 -6.898 1.00 1.00 C ATOM 0 H ALA A 121 112.485 20.245 -5.014 1.00 1.00 H new ATOM 0 HA ALA A 121 112.239 21.325 -7.590 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.559 22.189 -7.879 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.631 23.173 -6.723 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.833 22.002 -6.130 1.00 1.00 H new ATOM 1941 N ARG A 122 114.007 19.550 -8.405 1.00 1.00 N ATOM 1942 CA ARG A 122 114.653 18.302 -8.798 1.00 1.00 C ATOM 1943 C ARG A 122 115.596 18.540 -9.972 1.00 1.00 C ATOM 1944 O ARG A 122 115.302 19.334 -10.863 1.00 1.00 O ATOM 1945 CB ARG A 122 113.593 17.259 -9.171 1.00 1.00 C ATOM 1946 CG ARG A 122 112.780 17.742 -10.377 1.00 1.00 C ATOM 1947 CD ARG A 122 111.727 16.691 -10.733 1.00 1.00 C ATOM 1948 NE ARG A 122 110.934 17.138 -11.874 1.00 1.00 N ATOM 1949 CZ ARG A 122 111.348 16.940 -13.121 1.00 1.00 C ATOM 1950 NH1 ARG A 122 112.484 16.334 -13.346 1.00 1.00 N ATOM 1951 NH2 ARG A 122 110.620 17.352 -14.123 1.00 1.00 N ATOM 0 H ARG A 122 113.854 20.210 -9.167 1.00 1.00 H new ATOM 0 HA ARG A 122 115.236 17.928 -7.957 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.073 16.308 -9.403 1.00 1.00 H new ATOM 0 HB3 ARG A 122 112.931 17.083 -8.323 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.298 18.692 -10.148 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.439 17.916 -11.228 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.213 15.744 -10.967 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.077 16.512 -9.877 1.00 1.00 H new ATOM 0 HE ARG A 122 110.045 17.611 -11.711 1.00 1.00 H new ATOM 0 HH11 ARG A 122 113.054 16.012 -12.564 1.00 1.00 H new ATOM 0 HH12 ARG A 122 112.800 16.183 -14.304 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.734 17.826 -13.949 1.00 1.00 H new ATOM 0 HH22 ARG A 122 110.937 17.200 -15.080 1.00 1.00 H new ATOM 1965 N MET A 123 116.726 17.832 -9.976 1.00 1.00 N ATOM 1966 CA MET A 123 117.682 17.970 -11.063 1.00 1.00 C ATOM 1967 C MET A 123 118.377 16.647 -11.370 1.00 1.00 C ATOM 1968 O MET A 123 118.426 15.744 -10.535 1.00 1.00 O ATOM 1969 CB MET A 123 118.761 18.991 -10.710 1.00 1.00 C ATOM 1970 CG MET A 123 118.130 20.330 -10.319 1.00 1.00 C ATOM 1971 SD MET A 123 119.399 21.622 -10.369 1.00 1.00 S ATOM 1972 CE MET A 123 120.169 21.272 -8.767 1.00 1.00 C ATOM 0 H MET A 123 116.995 17.169 -9.249 1.00 1.00 H new ATOM 0 HA MET A 123 117.116 18.299 -11.935 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.369 18.615 -9.887 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.428 19.132 -11.561 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.316 20.576 -11.002 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.699 20.265 -9.320 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.207 21.604 -8.782 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.630 21.801 -7.981 1.00 1.00 H new ATOM 0 HE3 MET A 123 120.134 20.200 -8.573 1.00 1.00 H new ATOM 1982 N GLY A 124 118.919 16.558 -12.576 1.00 1.00 N ATOM 1983 CA GLY A 124 119.633 15.362 -13.011 1.00 1.00 C ATOM 1984 C GLY A 124 121.064 15.730 -13.377 1.00 1.00 C ATOM 1985 O GLY A 124 121.642 16.641 -12.782 1.00 1.00 O ATOM 0 H GLY A 124 118.879 17.301 -13.274 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.630 14.615 -12.217 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.130 14.917 -13.869 1.00 1.00 H new ATOM 1989 N PHE A 125 121.626 15.058 -14.374 1.00 1.00 N ATOM 1990 CA PHE A 125 122.976 15.384 -14.805 1.00 1.00 C ATOM 1991 C PHE A 125 122.920 16.618 -15.694 1.00 1.00 C ATOM 1992 O PHE A 125 122.111 16.686 -16.619 1.00 1.00 O ATOM 1993 CB PHE A 125 123.599 14.223 -15.587 1.00 1.00 C ATOM 1994 CG PHE A 125 124.952 14.646 -16.118 1.00 1.00 C ATOM 1995 CD1 PHE A 125 126.006 14.887 -15.230 1.00 1.00 C ATOM 1996 CD2 PHE A 125 125.153 14.799 -17.497 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.258 15.280 -15.715 1.00 1.00 C ATOM 1998 CE2 PHE A 125 126.406 15.193 -17.983 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.459 15.433 -17.091 1.00 1.00 C ATOM 0 H PHE A 125 121.178 14.300 -14.889 1.00 1.00 H new ATOM 0 HA PHE A 125 123.592 15.573 -13.925 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.705 13.351 -14.942 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.947 13.933 -16.411 1.00 1.00 H new ATOM 0 HD1 PHE A 125 125.853 14.769 -14.167 1.00 1.00 H new ATOM 0 HD2 PHE A 125 124.341 14.613 -18.185 1.00 1.00 H new ATOM 0 HE1 PHE A 125 128.070 15.465 -15.027 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.560 15.312 -19.045 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.426 15.736 -17.465 1.00 1.00 H new ATOM 2009 N GLU A 126 123.768 17.599 -15.417 1.00 1.00 N ATOM 2010 CA GLU A 126 123.783 18.822 -16.203 1.00 1.00 C ATOM 2011 C GLU A 126 125.218 19.337 -16.344 1.00 1.00 C ATOM 2012 O GLU A 126 125.803 19.783 -15.357 1.00 1.00 O ATOM 2013 CB GLU A 126 122.939 19.902 -15.516 1.00 1.00 C ATOM 2014 CG GLU A 126 121.713 19.267 -14.858 1.00 1.00 C ATOM 2015 CD GLU A 126 120.843 20.353 -14.233 1.00 1.00 C ATOM 2016 OE1 GLU A 126 121.398 21.233 -13.596 1.00 1.00 O ATOM 2017 OE2 GLU A 126 119.638 20.290 -14.403 1.00 1.00 O ATOM 0 H GLU A 126 124.450 17.571 -14.659 1.00 1.00 H new ATOM 0 HA GLU A 126 123.370 18.603 -17.188 1.00 1.00 H new ATOM 0 HB2 GLU A 126 123.537 20.420 -14.766 1.00 1.00 H new ATOM 0 HB3 GLU A 126 122.625 20.649 -16.245 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.139 18.709 -15.598 1.00 1.00 H new ATOM 0 HG3 GLU A 126 122.026 18.555 -14.095 1.00 1.00 H new ATOM 2024 N PRO A 127 125.802 19.308 -17.520 1.00 1.00 N ATOM 2025 CA PRO A 127 127.188 19.811 -17.704 1.00 1.00 C ATOM 2026 C PRO A 127 127.367 21.206 -17.120 1.00 1.00 C ATOM 2027 O PRO A 127 126.402 21.950 -16.941 1.00 1.00 O ATOM 2028 CB PRO A 127 127.384 19.831 -19.221 1.00 1.00 C ATOM 2029 CG PRO A 127 126.397 18.859 -19.770 1.00 1.00 C ATOM 2030 CD PRO A 127 125.236 18.795 -18.781 1.00 1.00 C ATOM 0 HA PRO A 127 127.917 19.184 -17.190 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.215 20.830 -19.624 1.00 1.00 H new ATOM 0 HB3 PRO A 127 128.402 19.547 -19.488 1.00 1.00 H new ATOM 0 HG2 PRO A 127 126.049 19.176 -20.753 1.00 1.00 H new ATOM 0 HG3 PRO A 127 126.852 17.876 -19.895 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.395 19.402 -19.115 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.867 17.776 -18.666 1.00 1.00 H new ATOM 2038 N GLY A 128 128.614 21.536 -16.816 1.00 1.00 N ATOM 2039 CA GLY A 128 128.926 22.834 -16.238 1.00 1.00 C ATOM 2040 C GLY A 128 129.778 22.691 -14.992 1.00 1.00 C ATOM 2041 O GLY A 128 130.490 23.630 -14.636 1.00 1.00 O ATOM 0 H GLY A 128 129.420 20.928 -16.959 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.451 23.445 -16.972 1.00 1.00 H new ATOM 0 HA3 GLY A 128 128.002 23.356 -15.991 1.00 1.00 H new ATOM 2045 N GLY A 129 129.757 21.538 -14.332 1.00 1.00 N ATOM 2046 CA GLY A 129 130.587 21.351 -13.158 1.00 1.00 C ATOM 2047 C GLY A 129 129.851 21.628 -11.845 1.00 1.00 C ATOM 2048 O GLY A 129 128.657 21.929 -11.825 1.00 1.00 O ATOM 0 H GLY A 129 129.183 20.734 -14.588 1.00 1.00 H new ATOM 0 HA2 GLY A 129 130.963 20.328 -13.147 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.454 22.008 -13.226 1.00 1.00 H new ATOM 2052 N GLY A 130 130.577 21.436 -10.747 1.00 1.00 N ATOM 2053 CA GLY A 130 130.001 21.572 -9.409 1.00 1.00 C ATOM 2054 C GLY A 130 129.540 22.981 -9.059 1.00 1.00 C ATOM 2055 O GLY A 130 128.468 23.148 -8.484 1.00 1.00 O ATOM 0 H GLY A 130 131.566 21.186 -10.756 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.152 20.894 -9.322 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.741 21.253 -8.675 1.00 1.00 H new ATOM 2059 N ALA A 131 130.340 23.987 -9.389 1.00 1.00 N ATOM 2060 CA ALA A 131 129.977 25.361 -9.069 1.00 1.00 C ATOM 2061 C ALA A 131 128.688 25.736 -9.765 1.00 1.00 C ATOM 2062 O ALA A 131 127.800 26.346 -9.173 1.00 1.00 O ATOM 2063 CB ALA A 131 131.081 26.307 -9.533 1.00 1.00 C ATOM 0 H ALA A 131 131.232 23.880 -9.871 1.00 1.00 H new ATOM 0 HA ALA A 131 129.845 25.444 -7.990 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.806 27.334 -9.292 1.00 1.00 H new ATOM 0 HB2 ALA A 131 132.013 26.053 -9.029 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.214 26.211 -10.611 1.00 1.00 H new ATOM 2069 N ALA A 132 128.594 25.397 -11.028 1.00 1.00 N ATOM 2070 CA ALA A 132 127.417 25.729 -11.795 1.00 1.00 C ATOM 2071 C ALA A 132 126.179 25.019 -11.245 1.00 1.00 C ATOM 2072 O ALA A 132 125.083 25.584 -11.228 1.00 1.00 O ATOM 2073 CB ALA A 132 127.658 25.348 -13.253 1.00 1.00 C ATOM 0 H ALA A 132 129.315 24.894 -11.545 1.00 1.00 H new ATOM 0 HA ALA A 132 127.231 26.801 -11.722 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.776 25.594 -13.844 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.517 25.900 -13.636 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.854 24.278 -13.322 1.00 1.00 H new ATOM 2079 N TYR A 133 126.354 23.779 -10.804 1.00 1.00 N ATOM 2080 CA TYR A 133 125.250 22.993 -10.267 1.00 1.00 C ATOM 2081 C TYR A 133 124.670 23.639 -9.012 1.00 1.00 C ATOM 2082 O TYR A 133 123.453 23.662 -8.825 1.00 1.00 O ATOM 2083 CB TYR A 133 125.749 21.588 -9.932 1.00 1.00 C ATOM 2084 CG TYR A 133 124.582 20.684 -9.607 1.00 1.00 C ATOM 2085 CD1 TYR A 133 124.067 20.636 -8.306 1.00 1.00 C ATOM 2086 CD2 TYR A 133 124.017 19.888 -10.613 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.987 19.794 -8.010 1.00 1.00 C ATOM 2088 CE2 TYR A 133 122.938 19.046 -10.317 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.423 18.998 -9.016 1.00 1.00 C ATOM 2090 OH TYR A 133 121.360 18.166 -8.725 1.00 1.00 O ATOM 0 H TYR A 133 127.252 23.295 -10.808 1.00 1.00 H new ATOM 0 HA TYR A 133 124.463 22.945 -11.020 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.309 21.182 -10.775 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.433 21.630 -9.085 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.502 21.248 -7.530 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.414 19.924 -11.617 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.589 19.758 -7.007 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.503 18.433 -11.093 1.00 1.00 H new ATOM 0 HH TYR A 133 121.698 17.288 -8.449 1.00 1.00 H new ATOM 2100 N VAL A 134 125.539 24.134 -8.134 1.00 1.00 N ATOM 2101 CA VAL A 134 125.068 24.737 -6.898 1.00 1.00 C ATOM 2102 C VAL A 134 124.264 26.001 -7.181 1.00 1.00 C ATOM 2103 O VAL A 134 123.295 26.293 -6.500 1.00 1.00 O ATOM 2104 CB VAL A 134 126.216 25.043 -5.934 1.00 1.00 C ATOM 2105 CG1 VAL A 134 127.372 24.066 -6.119 1.00 1.00 C ATOM 2106 CG2 VAL A 134 126.713 26.474 -6.122 1.00 1.00 C ATOM 0 H VAL A 134 126.552 24.129 -8.254 1.00 1.00 H new ATOM 0 HA VAL A 134 124.418 24.007 -6.416 1.00 1.00 H new ATOM 0 HB VAL A 134 125.830 24.931 -4.921 1.00 1.00 H new ATOM 0 HG11 VAL A 134 128.171 24.311 -5.419 1.00 1.00 H new ATOM 0 HG12 VAL A 134 127.024 23.050 -5.931 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.749 24.137 -7.139 1.00 1.00 H new ATOM 0 HG21 VAL A 134 127.529 26.670 -5.427 1.00 1.00 H new ATOM 0 HG22 VAL A 134 127.068 26.605 -7.144 1.00 1.00 H new ATOM 0 HG23 VAL A 134 125.897 27.171 -5.930 1.00 1.00 H new ATOM 2116 N SER A 135 124.658 26.775 -8.170 1.00 1.00 N ATOM 2117 CA SER A 135 123.911 27.984 -8.465 1.00 1.00 C ATOM 2118 C SER A 135 122.469 27.611 -8.805 1.00 1.00 C ATOM 2119 O SER A 135 121.520 28.278 -8.394 1.00 1.00 O ATOM 2120 CB SER A 135 124.541 28.725 -9.645 1.00 1.00 C ATOM 2121 OG SER A 135 123.821 29.931 -9.878 1.00 1.00 O ATOM 0 H SER A 135 125.465 26.599 -8.768 1.00 1.00 H new ATOM 0 HA SER A 135 123.930 28.637 -7.593 1.00 1.00 H new ATOM 0 HB2 SER A 135 125.587 28.947 -9.434 1.00 1.00 H new ATOM 0 HB3 SER A 135 124.522 28.098 -10.536 1.00 1.00 H new ATOM 0 HG SER A 135 124.222 30.411 -10.633 1.00 1.00 H new ATOM 2127 N LYS A 136 122.331 26.544 -9.589 1.00 1.00 N ATOM 2128 CA LYS A 136 121.020 26.072 -10.031 1.00 1.00 C ATOM 2129 C LYS A 136 120.144 25.593 -8.866 1.00 1.00 C ATOM 2130 O LYS A 136 118.951 25.893 -8.820 1.00 1.00 O ATOM 2131 CB LYS A 136 121.203 24.921 -11.021 1.00 1.00 C ATOM 2132 CG LYS A 136 121.848 25.438 -12.311 1.00 1.00 C ATOM 2133 CD LYS A 136 122.055 24.267 -13.273 1.00 1.00 C ATOM 2134 CE LYS A 136 122.618 24.780 -14.600 1.00 1.00 C ATOM 2135 NZ LYS A 136 123.958 25.390 -14.374 1.00 1.00 N ATOM 0 H LYS A 136 123.114 25.988 -9.933 1.00 1.00 H new ATOM 0 HA LYS A 136 120.514 26.915 -10.502 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.827 24.145 -10.578 1.00 1.00 H new ATOM 0 HB3 LYS A 136 120.238 24.465 -11.244 1.00 1.00 H new ATOM 0 HG2 LYS A 136 121.213 26.195 -12.771 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.803 25.915 -12.089 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.739 23.540 -12.834 1.00 1.00 H new ATOM 0 HD3 LYS A 136 121.109 23.753 -13.443 1.00 1.00 H new ATOM 0 HE2 LYS A 136 122.697 23.960 -15.314 1.00 1.00 H new ATOM 0 HE3 LYS A 136 121.941 25.516 -15.033 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 124.626 25.036 -15.088 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 123.886 26.425 -14.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 124.299 25.136 -13.425 1.00 1.00 H new ATOM 2149 N VAL A 137 120.730 24.843 -7.935 1.00 1.00 N ATOM 2150 CA VAL A 137 119.965 24.334 -6.799 1.00 1.00 C ATOM 2151 C VAL A 137 119.500 25.487 -5.922 1.00 1.00 C ATOM 2152 O VAL A 137 118.376 25.488 -5.421 1.00 1.00 O ATOM 2153 CB VAL A 137 120.793 23.305 -6.007 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.785 23.998 -5.110 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.877 22.451 -5.134 1.00 1.00 C ATOM 0 H VAL A 137 121.715 24.578 -7.943 1.00 1.00 H new ATOM 0 HA VAL A 137 119.077 23.819 -7.167 1.00 1.00 H new ATOM 0 HB VAL A 137 121.321 22.679 -6.726 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.360 23.253 -4.559 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.460 24.604 -5.714 1.00 1.00 H new ATOM 0 HG13 VAL A 137 121.254 24.639 -4.407 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.474 21.727 -4.579 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.340 23.092 -4.434 1.00 1.00 H new ATOM 0 HG23 VAL A 137 119.161 21.923 -5.765 1.00 1.00 H new ATOM 2165 N LYS A 138 120.377 26.469 -5.743 1.00 1.00 N ATOM 2166 CA LYS A 138 120.049 27.621 -4.925 1.00 1.00 C ATOM 2167 C LYS A 138 118.816 28.334 -5.481 1.00 1.00 C ATOM 2168 O LYS A 138 117.919 28.711 -4.727 1.00 1.00 O ATOM 2169 CB LYS A 138 121.235 28.595 -4.877 1.00 1.00 C ATOM 2170 CG LYS A 138 122.351 28.030 -3.989 1.00 1.00 C ATOM 2171 CD LYS A 138 123.549 28.989 -4.000 1.00 1.00 C ATOM 2172 CE LYS A 138 124.648 28.459 -3.072 1.00 1.00 C ATOM 2173 NZ LYS A 138 125.799 29.407 -3.064 1.00 1.00 N ATOM 0 H LYS A 138 121.312 26.487 -6.151 1.00 1.00 H new ATOM 0 HA LYS A 138 119.832 27.275 -3.914 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.614 28.767 -5.884 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.907 29.560 -4.491 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.987 27.897 -2.970 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.655 27.047 -4.350 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.935 29.091 -5.014 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.235 29.981 -3.677 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.257 28.338 -2.062 1.00 1.00 H new ATOM 0 HE3 LYS A 138 124.977 27.475 -3.407 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 126.543 29.045 -2.434 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 126.178 29.501 -4.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.480 30.337 -2.725 1.00 1.00 H new ATOM 2187 N SER A 139 118.770 28.515 -6.798 1.00 1.00 N ATOM 2188 CA SER A 139 117.636 29.183 -7.425 1.00 1.00 C ATOM 2189 C SER A 139 116.373 28.348 -7.286 1.00 1.00 C ATOM 2190 O SER A 139 115.283 28.872 -7.063 1.00 1.00 O ATOM 2191 CB SER A 139 117.915 29.412 -8.911 1.00 1.00 C ATOM 2192 OG SER A 139 118.948 30.376 -9.059 1.00 1.00 O ATOM 0 H SER A 139 119.497 28.212 -7.445 1.00 1.00 H new ATOM 0 HA SER A 139 117.491 30.140 -6.923 1.00 1.00 H new ATOM 0 HB2 SER A 139 118.208 28.475 -9.385 1.00 1.00 H new ATOM 0 HB3 SER A 139 117.010 29.754 -9.413 1.00 1.00 H new ATOM 0 HG SER A 139 119.127 30.520 -10.012 1.00 1.00 H new ATOM 2198 N ALA A 140 116.531 27.043 -7.445 1.00 1.00 N ATOM 2199 CA ALA A 140 115.410 26.124 -7.374 1.00 1.00 C ATOM 2200 C ALA A 140 114.798 26.081 -5.976 1.00 1.00 C ATOM 2201 O ALA A 140 113.578 26.005 -5.828 1.00 1.00 O ATOM 2202 CB ALA A 140 115.899 24.737 -7.774 1.00 1.00 C ATOM 0 H ALA A 140 117.430 26.597 -7.625 1.00 1.00 H new ATOM 0 HA ALA A 140 114.631 26.467 -8.054 1.00 1.00 H new ATOM 0 HB1 ALA A 140 115.070 24.031 -7.727 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.291 24.769 -8.791 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.686 24.418 -7.091 1.00 1.00 H new ATOM 2208 N LEU A 141 115.642 26.095 -4.963 1.00 1.00 N ATOM 2209 CA LEU A 141 115.165 26.020 -3.588 1.00 1.00 C ATOM 2210 C LEU A 141 114.867 27.400 -2.999 1.00 1.00 C ATOM 2211 O LEU A 141 114.401 27.496 -1.865 1.00 1.00 O ATOM 2212 CB LEU A 141 116.209 25.312 -2.733 1.00 1.00 C ATOM 2213 CG LEU A 141 115.996 23.797 -2.794 1.00 1.00 C ATOM 2214 CD1 LEU A 141 116.034 23.322 -4.247 1.00 1.00 C ATOM 2215 CD2 LEU A 141 117.112 23.109 -2.009 1.00 1.00 C ATOM 0 H LEU A 141 116.655 26.157 -5.060 1.00 1.00 H new ATOM 0 HA LEU A 141 114.230 25.461 -3.591 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.210 25.561 -3.086 1.00 1.00 H new ATOM 0 HB3 LEU A 141 116.140 25.656 -1.701 1.00 1.00 H new ATOM 0 HG LEU A 141 115.026 23.549 -2.364 1.00 1.00 H new ATOM 0 HD11 LEU A 141 115.882 22.243 -4.281 1.00 1.00 H new ATOM 0 HD12 LEU A 141 115.245 23.818 -4.813 1.00 1.00 H new ATOM 0 HD13 LEU A 141 117.002 23.566 -4.684 1.00 1.00 H new ATOM 0 HD21 LEU A 141 116.970 22.029 -2.046 1.00 1.00 H new ATOM 0 HD22 LEU A 141 118.076 23.364 -2.449 1.00 1.00 H new ATOM 0 HD23 LEU A 141 117.087 23.443 -0.972 1.00 1.00 H new ATOM 2227 N LYS A 142 115.128 28.467 -3.760 1.00 1.00 N ATOM 2228 CA LYS A 142 114.874 29.830 -3.291 1.00 1.00 C ATOM 2229 C LYS A 142 115.738 30.155 -2.074 1.00 1.00 C ATOM 2230 O LYS A 142 115.247 30.669 -1.070 1.00 1.00 O ATOM 2231 CB LYS A 142 113.391 30.005 -2.935 1.00 1.00 C ATOM 2232 CG LYS A 142 112.493 29.462 -4.059 1.00 1.00 C ATOM 2233 CD LYS A 142 112.595 30.341 -5.313 1.00 1.00 C ATOM 2234 CE LYS A 142 111.617 29.820 -6.367 1.00 1.00 C ATOM 2235 NZ LYS A 142 112.033 28.453 -6.792 1.00 1.00 N ATOM 0 H LYS A 142 115.515 28.412 -4.702 1.00 1.00 H new ATOM 0 HA LYS A 142 115.132 30.518 -4.097 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.172 29.483 -2.004 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.174 31.060 -2.768 1.00 1.00 H new ATOM 0 HG2 LYS A 142 112.785 28.440 -4.301 1.00 1.00 H new ATOM 0 HG3 LYS A 142 111.458 29.426 -3.718 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.365 31.377 -5.066 1.00 1.00 H new ATOM 0 HD3 LYS A 142 113.613 30.324 -5.703 1.00 1.00 H new ATOM 0 HE2 LYS A 142 110.606 29.795 -5.961 1.00 1.00 H new ATOM 0 HE3 LYS A 142 111.599 30.491 -7.226 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 111.579 28.218 -7.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 113.066 28.424 -6.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 111.744 27.762 -6.070 1.00 1.00 H new ATOM 2249 N LEU A 143 117.034 29.878 -2.192 1.00 1.00 N ATOM 2250 CA LEU A 143 117.990 30.169 -1.130 1.00 1.00 C ATOM 2251 C LEU A 143 118.677 31.498 -1.438 1.00 1.00 C ATOM 2252 O LEU A 143 119.259 31.672 -2.509 1.00 1.00 O ATOM 2253 CB LEU A 143 119.052 29.065 -1.074 1.00 1.00 C ATOM 2254 CG LEU A 143 118.659 27.888 -0.152 1.00 1.00 C ATOM 2255 CD1 LEU A 143 117.137 27.693 -0.039 1.00 1.00 C ATOM 2256 CD2 LEU A 143 119.270 26.616 -0.737 1.00 1.00 C ATOM 0 H LEU A 143 117.448 29.449 -3.020 1.00 1.00 H new ATOM 0 HA LEU A 143 117.469 30.222 -0.174 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.227 28.686 -2.081 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.993 29.492 -0.726 1.00 1.00 H new ATOM 0 HG LEU A 143 119.029 28.107 0.849 1.00 1.00 H new ATOM 0 HD11 LEU A 143 116.926 26.852 0.622 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.684 28.597 0.368 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.722 27.492 -1.026 1.00 1.00 H new ATOM 0 HD21 LEU A 143 119.010 25.765 -0.108 1.00 1.00 H new ATOM 0 HD22 LEU A 143 118.882 26.455 -1.743 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.354 26.719 -0.779 1.00 1.00 H new ATOM 2268 N ARG A 144 118.603 32.435 -0.496 1.00 1.00 N ATOM 2269 CA ARG A 144 119.216 33.748 -0.675 1.00 1.00 C ATOM 2270 C ARG A 144 119.379 34.442 0.676 1.00 1.00 C ATOM 2271 O ARG A 144 120.377 35.119 0.857 1.00 1.00 O ATOM 2272 CB ARG A 144 118.341 34.601 -1.601 1.00 1.00 C ATOM 2273 CG ARG A 144 118.985 35.973 -1.837 1.00 1.00 C ATOM 2274 CD ARG A 144 118.038 36.832 -2.676 1.00 1.00 C ATOM 2275 NE ARG A 144 117.909 36.287 -4.021 1.00 1.00 N ATOM 2276 CZ ARG A 144 117.019 36.782 -4.873 1.00 1.00 C ATOM 2277 NH1 ARG A 144 116.217 37.739 -4.493 1.00 1.00 N ATOM 2278 NH2 ARG A 144 116.937 36.306 -6.085 1.00 1.00 N ATOM 2279 OXT ARG A 144 118.499 34.289 1.508 1.00 1.00 O ATOM 0 H ARG A 144 118.126 32.310 0.397 1.00 1.00 H new ATOM 0 HA ARG A 144 120.201 33.624 -1.124 1.00 1.00 H new ATOM 0 HB2 ARG A 144 118.203 34.089 -2.553 1.00 1.00 H new ATOM 0 HB3 ARG A 144 117.352 34.728 -1.161 1.00 1.00 H new ATOM 0 HG2 ARG A 144 119.191 36.461 -0.884 1.00 1.00 H new ATOM 0 HG3 ARG A 144 119.940 35.857 -2.349 1.00 1.00 H new ATOM 0 HD2 ARG A 144 117.059 36.875 -2.200 1.00 1.00 H new ATOM 0 HD3 ARG A 144 118.413 37.854 -2.726 1.00 1.00 H new ATOM 0 HE ARG A 144 118.510 35.516 -4.312 1.00 1.00 H new ATOM 0 HH11 ARG A 144 116.275 38.105 -3.543 1.00 1.00 H new ATOM 0 HH12 ARG A 144 115.533 38.120 -5.146 1.00 1.00 H new ATOM 0 HH21 ARG A 144 117.557 35.552 -6.380 1.00 1.00 H new ATOM 0 HH22 ARG A 144 116.252 36.688 -6.738 1.00 1.00 H new TER 2293 ARG A 144