USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1324 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 114 CYS SG : rot 20:sc= -2.46! USER MOD Set 1.2: A 120 GLN : amide:sc= -9.24! C(o=-12!,f=-6.2!) USER MOD Set 2.1: A 106 GLN : amide:sc= -1.06 K(o=-1.2,f=-8.7!) USER MOD Set 2.2: A 108 TYR OH : rot 175:sc= -0.119 USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0.362 USER MOD Set 3.2: A 58 MET CE :methyl 168:sc= -1.99 (180deg=-2.46!) USER MOD Set 4.1: A 20 TYR OH : rot 30:sc= 0 USER MOD Set 4.2: A 22 CYS SG : rot -105:sc= 0.168 USER MOD Set 4.3: A 26 CYS SG : rot 160:sc= -0.807 USER MOD Set 5.1: A 8 SER OG : rot -116:sc= 0.321 USER MOD Set 5.2: A 10 TYR OH : rot 180:sc= 0.14 USER MOD Single : A 6 LYS NZ :NH3+ -130:sc= -1.88 (180deg=-4.53!) USER MOD Single : A 14 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.33) USER MOD Single : A 16 GLN : amide:sc= -0.36 K(o=-0.36,f=-4.2!) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.411! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 42:sc= -2.95 USER MOD Single : A 37 ASN : amide:sc= -2.8 K(o=-2.8,f=-8.5!) USER MOD Single : A 38 SER OG : rot 59:sc= 1.23 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 53 ASN : amide:sc= -0.612 X(o=-0.61,f=-0.22) USER MOD Single : A 55 SER OG : rot 180:sc= -0.234 USER MOD Single : A 57 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.48) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc=-0.00583 X(o=-0.0058,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0324 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -6.43! C(o=-6.4!,f=-4.6!) USER MOD Single : A 81 SER OG : rot -160:sc= 0.834 USER MOD Single : A 82 CYS SG : rot 24:sc= -0.327 USER MOD Single : A 86 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=-0.4) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -5.89! C(o=-5.9!,f=-4.9!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.547 K(o=-0.55,f=-0.013) USER MOD Single : A 107 MET CE :methyl -151:sc= 0 (180deg=-0.00479) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0.16 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.32) USER MOD Single : A 127 HIS : no HD1:sc= -2.22! K(o=-2.2!,f=-0.8) USER MOD Single : A 128 SER OG : rot -103:sc= -0.875! USER MOD Single : A 129 CYS SG : rot 18:sc= 0.569 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 180:sc= -0.032 USER MOD Single : A 143 ASN : amide:sc= -0.0973 X(o=-0.097,f=-0.36) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.54) USER MOD Single : A 149 TYR OH : rot 30:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 165:sc= -0.0277 (180deg=-0.381) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.241 USER MOD Single : A 158 LYS NZ :NH3+ 155:sc= -1.66 (180deg=-2.7!) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.0914 X(o=-0.091,f=-0.12) USER MOD Single : A 171 SER OG : rot -145:sc= -0.835! USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.995 -11.696 1.054 1.00 0.52 N ATOM 51 CA GLY A 4 -16.314 -11.190 2.424 1.00 0.30 C ATOM 52 C GLY A 4 -14.988 -11.064 3.177 1.00 0.41 C ATOM 53 O GLY A 4 -14.556 -11.967 3.859 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.820 -10.226 2.370 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.987 -11.875 2.941 1.00 0.30 H new ATOM 57 N GLY A 5 -14.331 -9.943 3.031 1.00 0.01 N ATOM 58 CA GLY A 5 -13.020 -9.750 3.710 1.00 0.01 C ATOM 59 C GLY A 5 -13.223 -9.421 5.190 1.00 0.01 C ATOM 60 O GLY A 5 -14.199 -8.806 5.575 1.00 0.01 O ATOM 0 H GLY A 5 -14.648 -9.153 2.469 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.417 -10.653 3.612 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.468 -8.944 3.225 1.00 0.01 H new ATOM 64 N LYS A 6 -12.298 -9.822 6.019 1.00 0.00 N ATOM 65 CA LYS A 6 -12.409 -9.536 7.477 1.00 0.01 C ATOM 66 C LYS A 6 -11.007 -9.425 8.072 1.00 0.01 C ATOM 67 O LYS A 6 -10.130 -10.227 7.785 1.00 0.00 O ATOM 68 CB LYS A 6 -13.178 -10.656 8.181 1.00 0.02 C ATOM 69 CG LYS A 6 -13.428 -10.269 9.639 1.00 0.02 C ATOM 70 CD LYS A 6 -14.471 -11.210 10.251 1.00 0.02 C ATOM 71 CE LYS A 6 -13.919 -12.639 10.310 1.00 0.02 C ATOM 72 NZ LYS A 6 -14.075 -13.288 8.979 1.00 0.02 N ATOM 0 H LYS A 6 -11.463 -10.340 5.746 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.948 -8.599 7.619 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -14.126 -10.834 7.674 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.611 -11.586 8.133 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.498 -10.324 10.205 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -13.776 -9.238 9.697 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -14.734 -10.872 11.253 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -15.385 -11.189 9.657 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -12.868 -12.622 10.597 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -14.448 -13.213 11.071 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -14.525 -14.218 9.097 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -14.669 -12.691 8.369 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -13.140 -13.409 8.540 1.00 0.02 H new ATOM 86 N ILE A 7 -10.809 -8.439 8.915 1.00 0.02 N ATOM 87 CA ILE A 7 -9.482 -8.237 9.577 1.00 0.00 C ATOM 88 C ILE A 7 -9.698 -8.088 11.086 1.00 0.02 C ATOM 89 O ILE A 7 -10.635 -7.451 11.530 1.00 0.01 O ATOM 90 CB ILE A 7 -8.794 -7.002 8.991 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.569 -6.644 9.835 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.767 -5.824 8.981 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.708 -5.624 9.084 1.00 0.02 C ATOM 0 H ILE A 7 -11.521 -7.757 9.175 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.836 -9.097 9.398 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.480 -7.220 7.970 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.883 -6.233 10.795 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.987 -7.540 10.047 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.273 -4.947 8.563 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.636 -6.075 8.373 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.088 -5.608 10.000 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.836 -5.370 9.687 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.382 -6.051 8.136 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.293 -4.724 8.894 1.00 0.02 H new ATOM 105 N SER A 8 -8.827 -8.666 11.877 1.00 0.02 N ATOM 106 CA SER A 8 -8.954 -8.561 13.368 1.00 0.02 C ATOM 107 C SER A 8 -7.684 -7.933 13.950 1.00 0.01 C ATOM 108 O SER A 8 -6.581 -8.357 13.668 1.00 0.02 O ATOM 109 CB SER A 8 -9.159 -9.951 13.978 1.00 0.30 C ATOM 110 OG SER A 8 -8.647 -9.963 15.300 1.00 0.39 O ATOM 0 H SER A 8 -8.027 -9.210 11.553 1.00 0.02 H new ATOM 0 HA SER A 8 -9.814 -7.935 13.606 1.00 0.02 H new ATOM 0 HB2 SER A 8 -10.219 -10.205 13.984 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.654 -10.704 13.373 1.00 0.30 H new ATOM 0 HG SER A 8 -7.901 -10.596 15.356 1.00 0.39 H new ATOM 116 N PHE A 9 -7.846 -6.929 14.778 1.00 0.02 N ATOM 117 CA PHE A 9 -6.675 -6.253 15.420 1.00 0.01 C ATOM 118 C PHE A 9 -6.666 -6.605 16.914 1.00 0.01 C ATOM 119 O PHE A 9 -7.706 -6.661 17.541 1.00 0.02 O ATOM 120 CB PHE A 9 -6.811 -4.732 15.268 1.00 0.02 C ATOM 121 CG PHE A 9 -7.193 -4.369 13.851 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.509 -4.557 13.417 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.240 -3.826 12.981 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.875 -4.202 12.114 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.604 -3.475 11.678 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.921 -3.661 11.244 1.00 0.02 C ATOM 0 H PHE A 9 -8.754 -6.544 15.040 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.752 -6.584 14.945 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.565 -4.358 15.960 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.870 -4.250 15.531 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.244 -4.977 14.088 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.224 -3.678 13.317 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.892 -4.345 11.780 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.868 -3.060 11.006 1.00 0.02 H new ATOM 0 HZ PHE A 9 -8.202 -3.387 10.238 1.00 0.02 H new ATOM 136 N TYR A 10 -5.508 -6.854 17.489 1.00 0.02 N ATOM 137 CA TYR A 10 -5.439 -7.214 18.949 1.00 0.01 C ATOM 138 C TYR A 10 -4.542 -6.214 19.684 1.00 0.02 C ATOM 139 O TYR A 10 -3.517 -5.799 19.181 1.00 0.01 O ATOM 140 CB TYR A 10 -4.840 -8.616 19.102 1.00 0.02 C ATOM 141 CG TYR A 10 -5.510 -9.577 18.145 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.234 -9.508 16.773 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.396 -10.548 18.630 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.846 -10.406 15.891 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.008 -11.444 17.745 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.733 -11.374 16.377 1.00 0.00 C ATOM 147 OH TYR A 10 -7.336 -12.255 15.505 1.00 0.02 O ATOM 0 H TYR A 10 -4.607 -6.824 17.011 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.444 -7.189 19.370 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.768 -8.585 18.907 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.967 -8.964 20.127 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.549 -8.762 16.396 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.607 -10.605 19.688 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.634 -10.352 14.833 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.693 -12.190 18.120 1.00 0.02 H new ATOM 0 HH TYR A 10 -7.921 -12.861 16.005 1.00 0.02 H new ATOM 157 N GLU A 11 -4.931 -5.795 20.862 1.00 0.00 N ATOM 158 CA GLU A 11 -4.112 -4.792 21.602 1.00 0.02 C ATOM 159 C GLU A 11 -2.775 -5.378 22.058 1.00 0.03 C ATOM 160 O GLU A 11 -1.812 -4.652 22.213 1.00 0.03 O ATOM 161 CB GLU A 11 -4.884 -4.314 22.837 1.00 0.00 C ATOM 162 CG GLU A 11 -6.024 -3.399 22.401 1.00 0.00 C ATOM 163 CD GLU A 11 -6.877 -3.027 23.615 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.909 -3.807 24.553 1.00 0.02 O ATOM 165 OE2 GLU A 11 -7.482 -1.967 23.588 1.00 0.01 O ATOM 0 H GLU A 11 -5.777 -6.104 21.340 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.913 -3.962 20.924 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.279 -5.169 23.386 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.215 -3.782 23.514 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.623 -2.498 21.936 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.638 -3.898 21.652 1.00 0.00 H new ATOM 172 N ASP A 12 -2.689 -6.669 22.284 1.00 0.02 N ATOM 173 CA ASP A 12 -1.390 -7.265 22.736 1.00 0.01 C ATOM 174 C ASP A 12 -0.845 -8.210 21.666 1.00 0.02 C ATOM 175 O ASP A 12 -1.499 -8.530 20.695 1.00 0.02 O ATOM 176 CB ASP A 12 -1.598 -8.054 24.033 1.00 0.01 C ATOM 177 CG ASP A 12 -0.242 -8.348 24.678 1.00 0.01 C ATOM 178 OD1 ASP A 12 0.278 -7.468 25.343 1.00 0.03 O ATOM 179 OD2 ASP A 12 0.255 -9.447 24.494 1.00 0.02 O ATOM 0 H ASP A 12 -3.457 -7.332 22.176 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.680 -6.456 22.907 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.223 -7.485 24.721 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -2.122 -8.986 23.823 1.00 0.01 H new ATOM 184 N ARG A 13 0.367 -8.640 21.852 1.00 0.02 N ATOM 185 CA ARG A 13 1.028 -9.556 20.880 1.00 0.02 C ATOM 186 C ARG A 13 0.468 -10.976 21.025 1.00 0.00 C ATOM 187 O ARG A 13 -0.137 -11.327 22.021 1.00 0.02 O ATOM 188 CB ARG A 13 2.527 -9.560 21.184 1.00 0.00 C ATOM 189 CG ARG A 13 3.155 -8.266 20.664 1.00 0.01 C ATOM 190 CD ARG A 13 4.606 -8.158 21.143 1.00 0.02 C ATOM 191 NE ARG A 13 5.083 -6.758 20.958 1.00 0.03 N ATOM 192 CZ ARG A 13 6.167 -6.354 21.561 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.836 -7.177 22.316 1.00 0.02 N ATOM 194 NH2 ARG A 13 6.581 -5.126 21.407 1.00 0.02 N ATOM 0 H ARG A 13 0.943 -8.390 22.656 1.00 0.02 H new ATOM 0 HA ARG A 13 0.843 -9.217 19.861 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.691 -9.651 22.258 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.002 -10.422 20.715 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.121 -8.248 19.575 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.583 -7.408 21.015 1.00 0.01 H new ATOM 0 HD2 ARG A 13 4.677 -8.443 22.193 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.238 -8.847 20.583 1.00 0.02 H new ATOM 0 HE ARG A 13 4.562 -6.116 20.360 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.513 -8.137 22.436 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.684 -6.862 22.788 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.057 -4.482 20.815 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.429 -4.811 21.879 1.00 0.02 H new ATOM 208 N ASN A 14 0.664 -11.788 20.016 1.00 0.02 N ATOM 209 CA ASN A 14 0.170 -13.193 20.053 1.00 0.02 C ATOM 210 C ASN A 14 -1.353 -13.220 20.143 1.00 0.02 C ATOM 211 O ASN A 14 -1.944 -14.065 20.786 1.00 0.02 O ATOM 212 CB ASN A 14 0.798 -13.913 21.248 1.00 0.26 C ATOM 213 CG ASN A 14 2.263 -13.495 21.374 1.00 0.12 C ATOM 214 OD1 ASN A 14 2.640 -12.838 22.325 1.00 0.74 O ATOM 215 ND2 ASN A 14 3.111 -13.849 20.449 1.00 0.46 N ATOM 0 H ASN A 14 1.152 -11.530 19.158 1.00 0.02 H new ATOM 0 HA ASN A 14 0.458 -13.705 19.135 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.257 -13.666 22.162 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.726 -14.993 21.116 1.00 0.26 H new ATOM 0 HD21 ASN A 14 4.091 -13.575 20.523 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.795 -14.400 19.651 1.00 0.46 H new ATOM 222 N PHE A 15 -1.969 -12.267 19.497 1.00 0.02 N ATOM 223 CA PHE A 15 -3.457 -12.146 19.480 1.00 0.02 C ATOM 224 C PHE A 15 -4.026 -12.228 20.893 1.00 0.00 C ATOM 225 O PHE A 15 -5.040 -12.851 21.137 1.00 0.02 O ATOM 226 CB PHE A 15 -4.096 -13.219 18.578 1.00 0.02 C ATOM 227 CG PHE A 15 -3.497 -14.579 18.840 1.00 0.02 C ATOM 228 CD1 PHE A 15 -4.060 -15.418 19.809 1.00 0.02 C ATOM 229 CD2 PHE A 15 -2.378 -15.000 18.113 1.00 0.02 C ATOM 230 CE1 PHE A 15 -3.503 -16.679 20.050 1.00 0.02 C ATOM 231 CE2 PHE A 15 -1.820 -16.262 18.353 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.383 -17.101 19.323 1.00 0.02 C ATOM 0 H PHE A 15 -1.487 -11.544 18.963 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.703 -11.168 19.066 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.171 -13.252 18.754 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.952 -12.951 17.531 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -4.923 -15.092 20.370 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -1.944 -14.351 17.366 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -3.937 -17.327 20.797 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -0.957 -16.588 17.791 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.953 -18.074 19.510 1.00 0.02 H new ATOM 242 N GLN A 16 -3.383 -11.566 21.822 1.00 0.02 N ATOM 243 CA GLN A 16 -3.875 -11.546 23.234 1.00 0.02 C ATOM 244 C GLN A 16 -4.413 -10.142 23.522 1.00 0.02 C ATOM 245 O GLN A 16 -4.176 -9.218 22.766 1.00 0.02 O ATOM 246 CB GLN A 16 -2.711 -11.847 24.182 1.00 0.02 C ATOM 247 CG GLN A 16 -2.419 -13.348 24.167 1.00 0.00 C ATOM 248 CD GLN A 16 -1.178 -13.635 25.014 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.124 -13.928 24.488 1.00 0.02 O ATOM 250 NE2 GLN A 16 -1.258 -13.561 26.312 1.00 0.02 N ATOM 0 H GLN A 16 -2.529 -11.033 21.660 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.655 -12.294 23.379 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.825 -11.290 23.876 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.958 -11.523 25.193 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.274 -13.900 24.557 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.261 -13.688 23.144 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.143 -13.315 26.755 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -0.436 -13.749 26.885 1.00 0.02 H new ATOM 259 N GLY A 17 -5.143 -9.960 24.592 1.00 0.03 N ATOM 260 CA GLY A 17 -5.686 -8.601 24.899 1.00 0.03 C ATOM 261 C GLY A 17 -7.056 -8.405 24.242 1.00 0.02 C ATOM 262 O GLY A 17 -7.660 -9.336 23.745 1.00 0.02 O ATOM 0 H GLY A 17 -5.386 -10.688 25.263 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.773 -8.474 25.978 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.994 -7.838 24.543 1.00 0.03 H new ATOM 266 N ARG A 18 -7.540 -7.190 24.225 1.00 0.00 N ATOM 267 CA ARG A 18 -8.861 -6.911 23.589 1.00 0.02 C ATOM 268 C ARG A 18 -8.729 -7.064 22.075 1.00 0.02 C ATOM 269 O ARG A 18 -7.697 -6.768 21.499 1.00 0.02 O ATOM 270 CB ARG A 18 -9.299 -5.483 23.934 1.00 0.79 C ATOM 271 CG ARG A 18 -10.811 -5.345 23.717 1.00 1.49 C ATOM 272 CD ARG A 18 -11.206 -3.868 23.732 1.00 1.42 C ATOM 273 NE ARG A 18 -12.679 -3.748 23.535 1.00 2.07 N ATOM 274 CZ ARG A 18 -13.281 -2.620 23.794 1.00 2.35 C ATOM 275 NH1 ARG A 18 -12.591 -1.599 24.221 1.00 2.53 N ATOM 276 NH2 ARG A 18 -14.571 -2.511 23.626 1.00 2.76 N ATOM 0 H ARG A 18 -7.075 -6.376 24.626 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.608 -7.613 23.959 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.047 -5.254 24.970 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.764 -4.767 23.310 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -11.093 -5.796 22.766 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.350 -5.883 24.497 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -10.916 -3.412 24.679 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -10.678 -3.331 22.945 1.00 1.42 H new ATOM 0 HE ARG A 18 -13.216 -4.547 23.198 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -11.583 -1.683 24.352 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -13.059 -0.716 24.424 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -15.111 -3.309 23.291 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -15.039 -1.628 23.829 1.00 2.76 H new ATOM 290 N ARG A 19 -9.765 -7.544 21.427 1.00 0.02 N ATOM 291 CA ARG A 19 -9.719 -7.750 19.946 1.00 0.02 C ATOM 292 C ARG A 19 -10.810 -6.922 19.261 1.00 0.02 C ATOM 293 O ARG A 19 -11.872 -6.693 19.807 1.00 0.02 O ATOM 294 CB ARG A 19 -9.967 -9.234 19.652 1.00 0.85 C ATOM 295 CG ARG A 19 -9.707 -9.521 18.170 1.00 1.31 C ATOM 296 CD ARG A 19 -10.166 -10.944 17.836 1.00 1.34 C ATOM 297 NE ARG A 19 -9.905 -11.839 18.998 1.00 1.50 N ATOM 298 CZ ARG A 19 -10.481 -13.010 19.060 1.00 1.63 C ATOM 299 NH1 ARG A 19 -11.280 -13.393 18.099 1.00 1.72 N ATOM 300 NH2 ARG A 19 -10.259 -13.795 20.078 1.00 1.89 N ATOM 0 H ARG A 19 -10.648 -7.804 21.867 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.745 -7.438 19.568 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.315 -9.850 20.271 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.993 -9.498 19.908 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.241 -8.801 17.550 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.646 -9.408 17.948 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -11.229 -10.947 17.594 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.637 -11.310 16.956 1.00 1.34 H new ATOM 0 HE ARG A 19 -9.278 -11.538 19.744 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -11.452 -12.778 17.304 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -11.731 -14.307 18.145 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -9.635 -13.495 20.827 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -10.709 -14.709 20.125 1.00 1.89 H new ATOM 314 N TYR A 20 -10.549 -6.496 18.054 1.00 0.02 N ATOM 315 CA TYR A 20 -11.548 -5.700 17.275 1.00 0.02 C ATOM 316 C TYR A 20 -11.644 -6.306 15.874 1.00 0.02 C ATOM 317 O TYR A 20 -10.650 -6.491 15.208 1.00 0.02 O ATOM 318 CB TYR A 20 -11.089 -4.240 17.181 1.00 0.02 C ATOM 319 CG TYR A 20 -11.976 -3.490 16.209 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.347 -3.369 16.468 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.431 -2.917 15.051 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.173 -2.678 15.573 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.258 -2.226 14.156 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.629 -2.107 14.418 1.00 0.02 C ATOM 325 OH TYR A 20 -14.444 -1.428 13.536 1.00 0.01 O ATOM 0 H TYR A 20 -9.671 -6.668 17.565 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.521 -5.726 17.766 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.131 -3.771 18.164 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.051 -4.195 16.851 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.768 -3.809 17.360 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.374 -3.008 14.849 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.230 -2.586 15.775 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.839 -1.785 13.264 1.00 0.02 H new ATOM 0 HH TYR A 20 -15.192 -1.025 14.025 1.00 0.01 H new ATOM 335 N ASP A 21 -12.834 -6.631 15.432 1.00 0.01 N ATOM 336 CA ASP A 21 -13.016 -7.250 14.078 1.00 0.02 C ATOM 337 C ASP A 21 -13.750 -6.279 13.153 1.00 0.00 C ATOM 338 O ASP A 21 -14.706 -5.639 13.542 1.00 0.01 O ATOM 339 CB ASP A 21 -13.846 -8.527 14.228 1.00 0.12 C ATOM 340 CG ASP A 21 -13.043 -9.573 15.004 1.00 0.41 C ATOM 341 OD1 ASP A 21 -12.391 -9.198 15.964 1.00 1.12 O ATOM 342 OD2 ASP A 21 -13.094 -10.731 14.625 1.00 0.56 O ATOM 0 H ASP A 21 -13.698 -6.493 15.956 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.041 -7.481 13.650 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.777 -8.308 14.750 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -14.115 -8.915 13.246 1.00 0.12 H new ATOM 347 N CYS A 22 -13.293 -6.166 11.929 1.00 0.01 N ATOM 348 CA CYS A 22 -13.940 -5.236 10.951 1.00 0.00 C ATOM 349 C CYS A 22 -14.193 -5.975 9.635 1.00 0.02 C ATOM 350 O CYS A 22 -13.366 -6.732 9.160 1.00 0.01 O ATOM 351 CB CYS A 22 -13.014 -4.041 10.717 1.00 0.00 C ATOM 352 SG CYS A 22 -13.941 -2.709 9.915 1.00 0.02 S ATOM 0 H CYS A 22 -12.493 -6.683 11.563 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.893 -4.883 11.344 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.604 -3.694 11.665 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.170 -4.338 10.094 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.610 -2.645 8.660 1.00 0.02 H new ATOM 358 N ASP A 23 -15.345 -5.758 9.048 1.00 0.01 N ATOM 359 CA ASP A 23 -15.698 -6.436 7.759 1.00 0.02 C ATOM 360 C ASP A 23 -15.869 -5.388 6.662 1.00 0.00 C ATOM 361 O ASP A 23 -16.326 -5.682 5.576 1.00 0.02 O ATOM 362 CB ASP A 23 -17.007 -7.207 7.936 1.00 0.16 C ATOM 363 CG ASP A 23 -16.942 -8.033 9.222 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.202 -9.004 9.244 1.00 0.20 O ATOM 365 OD2 ASP A 23 -17.633 -7.681 10.164 1.00 0.17 O ATOM 0 H ASP A 23 -16.065 -5.133 9.411 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.902 -7.126 7.479 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.847 -6.514 7.978 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.176 -7.860 7.080 1.00 0.16 H new ATOM 370 N CYS A 24 -15.488 -4.169 6.931 1.00 0.01 N ATOM 371 CA CYS A 24 -15.609 -3.098 5.901 1.00 0.01 C ATOM 372 C CYS A 24 -14.623 -1.985 6.254 1.00 0.01 C ATOM 373 O CYS A 24 -13.992 -2.022 7.291 1.00 0.01 O ATOM 374 CB CYS A 24 -17.037 -2.546 5.889 1.00 0.62 C ATOM 375 SG CYS A 24 -17.182 -1.272 4.611 1.00 1.23 S ATOM 0 H CYS A 24 -15.097 -3.868 7.823 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.386 -3.499 4.912 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.747 -3.350 5.698 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.284 -2.127 6.864 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.395 -0.805 4.600 1.00 1.23 H new ATOM 381 N ASP A 25 -14.471 -0.997 5.418 1.00 0.02 N ATOM 382 CA ASP A 25 -13.511 0.094 5.735 1.00 0.01 C ATOM 383 C ASP A 25 -13.921 0.794 7.030 1.00 0.02 C ATOM 384 O ASP A 25 -15.091 0.977 7.302 1.00 0.00 O ATOM 385 CB ASP A 25 -13.517 1.117 4.597 1.00 0.01 C ATOM 386 CG ASP A 25 -14.942 1.631 4.378 1.00 0.01 C ATOM 387 OD1 ASP A 25 -15.379 2.453 5.165 1.00 0.01 O ATOM 388 OD2 ASP A 25 -15.567 1.198 3.424 1.00 0.01 O ATOM 0 H ASP A 25 -14.968 -0.898 4.533 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.515 -0.333 5.854 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -12.853 1.947 4.837 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -13.139 0.661 3.682 1.00 0.01 H new ATOM 393 N CYS A 26 -12.959 1.212 7.817 1.00 0.01 N ATOM 394 CA CYS A 26 -13.266 1.935 9.091 1.00 0.01 C ATOM 395 C CYS A 26 -12.401 3.194 9.153 1.00 0.01 C ATOM 396 O CYS A 26 -11.185 3.126 9.162 1.00 0.01 O ATOM 397 CB CYS A 26 -12.962 1.033 10.289 1.00 0.01 C ATOM 398 SG CYS A 26 -13.738 1.722 11.773 1.00 0.02 S ATOM 0 H CYS A 26 -11.965 1.082 7.629 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.321 2.206 9.121 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.336 0.026 10.104 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -11.885 0.952 10.433 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.857 0.791 12.673 1.00 0.02 H new ATOM 404 N ALA A 27 -13.015 4.349 9.159 1.00 0.01 N ATOM 405 CA ALA A 27 -12.227 5.611 9.177 1.00 0.01 C ATOM 406 C ALA A 27 -11.686 5.885 10.579 1.00 0.01 C ATOM 407 O ALA A 27 -10.683 6.547 10.746 1.00 0.02 O ATOM 408 CB ALA A 27 -13.116 6.776 8.733 1.00 0.24 C ATOM 0 H ALA A 27 -14.028 4.470 9.152 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.386 5.509 8.492 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.538 7.700 8.746 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.481 6.591 7.723 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.963 6.867 9.413 1.00 0.24 H new ATOM 414 N ASP A 28 -12.339 5.382 11.591 1.00 0.01 N ATOM 415 CA ASP A 28 -11.857 5.611 12.983 1.00 0.02 C ATOM 416 C ASP A 28 -12.334 4.456 13.863 1.00 0.01 C ATOM 417 O ASP A 28 -13.468 4.417 14.293 1.00 0.02 O ATOM 418 CB ASP A 28 -12.422 6.930 13.514 1.00 0.67 C ATOM 419 CG ASP A 28 -11.665 7.336 14.781 1.00 0.90 C ATOM 420 OD1 ASP A 28 -10.564 7.846 14.652 1.00 1.14 O ATOM 421 OD2 ASP A 28 -12.199 7.128 15.860 1.00 0.87 O ATOM 0 H ASP A 28 -13.187 4.821 11.514 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.768 5.662 12.995 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.329 7.709 12.757 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.485 6.822 13.731 1.00 0.67 H new ATOM 426 N PHE A 29 -11.463 3.518 14.138 1.00 0.02 N ATOM 427 CA PHE A 29 -11.831 2.352 14.999 1.00 0.02 C ATOM 428 C PHE A 29 -11.222 2.536 16.391 1.00 0.00 C ATOM 429 O PHE A 29 -11.210 1.643 17.219 1.00 0.02 O ATOM 430 CB PHE A 29 -11.330 1.056 14.361 1.00 2.87 C ATOM 431 CG PHE A 29 -9.825 1.006 14.394 1.00 3.99 C ATOM 432 CD1 PHE A 29 -9.083 1.525 13.326 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.171 0.428 15.487 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.687 1.465 13.352 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.774 0.370 15.514 1.00 5.75 C ATOM 436 CZ PHE A 29 -7.033 0.888 14.447 1.00 6.37 C ATOM 0 H PHE A 29 -10.501 3.510 13.799 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.915 2.294 15.092 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.741 0.198 14.893 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.681 0.990 13.331 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.589 1.971 12.483 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.744 0.027 16.310 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -7.113 1.863 12.528 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.268 -0.074 16.358 1.00 5.75 H new ATOM 0 HZ PHE A 29 -5.954 0.843 14.468 1.00 6.37 H new ATOM 446 N ARG A 30 -10.684 3.700 16.635 1.00 0.01 N ATOM 447 CA ARG A 30 -10.041 3.981 17.947 1.00 0.00 C ATOM 448 C ARG A 30 -11.044 3.796 19.088 1.00 0.01 C ATOM 449 O ARG A 30 -10.661 3.564 20.218 1.00 0.02 O ATOM 450 CB ARG A 30 -9.516 5.419 17.971 1.00 0.32 C ATOM 451 CG ARG A 30 -8.578 5.648 16.781 1.00 0.86 C ATOM 452 CD ARG A 30 -7.695 6.870 17.046 1.00 1.62 C ATOM 453 NE ARG A 30 -8.475 7.894 17.789 1.00 2.25 N ATOM 454 CZ ARG A 30 -7.856 8.872 18.391 1.00 2.70 C ATOM 455 NH1 ARG A 30 -6.554 8.952 18.335 1.00 3.11 N ATOM 456 NH2 ARG A 30 -8.536 9.770 19.048 1.00 3.02 N ATOM 0 H ARG A 30 -10.663 4.476 15.973 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.215 3.283 18.081 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.349 6.121 17.930 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -8.986 5.607 18.905 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -7.957 4.767 16.621 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -9.159 5.798 15.871 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -6.816 6.579 17.621 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -7.336 7.284 16.104 1.00 1.62 H new ATOM 0 HE ARG A 30 -9.492 7.832 17.828 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.022 8.250 17.821 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -6.069 9.716 18.805 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -9.553 9.708 19.092 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -8.051 10.534 19.518 1.00 3.02 H new ATOM 470 N SER A 31 -12.318 3.911 18.823 1.00 0.02 N ATOM 471 CA SER A 31 -13.320 3.756 19.916 1.00 0.02 C ATOM 472 C SER A 31 -13.456 2.283 20.297 1.00 0.01 C ATOM 473 O SER A 31 -13.982 1.945 21.341 1.00 0.02 O ATOM 474 CB SER A 31 -14.674 4.279 19.436 1.00 0.37 C ATOM 475 OG SER A 31 -14.608 5.693 19.303 1.00 0.88 O ATOM 0 H SER A 31 -12.707 4.105 17.900 1.00 0.02 H new ATOM 0 HA SER A 31 -12.990 4.322 20.787 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.935 3.824 18.481 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.455 4.004 20.145 1.00 0.37 H new ATOM 0 HG SER A 31 -15.473 6.033 18.994 1.00 0.88 H new ATOM 481 N TYR A 32 -12.994 1.400 19.451 1.00 0.01 N ATOM 482 CA TYR A 32 -13.101 -0.063 19.739 1.00 0.01 C ATOM 483 C TYR A 32 -11.739 -0.590 20.183 1.00 0.02 C ATOM 484 O TYR A 32 -11.637 -1.617 20.828 1.00 0.02 O ATOM 485 CB TYR A 32 -13.531 -0.788 18.460 1.00 0.02 C ATOM 486 CG TYR A 32 -14.928 -0.361 18.083 1.00 0.02 C ATOM 487 CD1 TYR A 32 -16.033 -0.954 18.706 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.121 0.630 17.110 1.00 0.01 C ATOM 489 CE1 TYR A 32 -17.330 -0.557 18.357 1.00 0.00 C ATOM 490 CE2 TYR A 32 -16.419 1.024 16.763 1.00 0.02 C ATOM 491 CZ TYR A 32 -17.521 0.432 17.385 1.00 0.02 C ATOM 492 OH TYR A 32 -18.799 0.824 17.041 1.00 0.02 O ATOM 0 H TYR A 32 -12.543 1.631 18.565 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.833 -0.235 20.528 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.839 -0.559 17.650 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.498 -1.867 18.613 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -15.885 -1.717 19.456 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -14.270 1.089 16.629 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -18.182 -1.014 18.838 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -16.569 1.787 16.013 1.00 0.02 H new ATOM 0 HH TYR A 32 -18.754 1.520 16.353 1.00 0.02 H new ATOM 502 N LEU A 33 -10.684 0.096 19.833 1.00 0.02 N ATOM 503 CA LEU A 33 -9.320 -0.370 20.223 1.00 0.02 C ATOM 504 C LEU A 33 -8.399 0.854 20.386 1.00 0.02 C ATOM 505 O LEU A 33 -8.315 1.709 19.531 1.00 0.02 O ATOM 506 CB LEU A 33 -8.784 -1.284 19.097 1.00 1.66 C ATOM 507 CG LEU A 33 -7.983 -2.462 19.685 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.900 -3.372 20.538 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.366 -3.282 18.541 1.00 2.80 C ATOM 0 H LEU A 33 -10.707 0.961 19.293 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.353 -0.919 21.164 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.616 -1.664 18.504 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.150 -0.707 18.424 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.194 -2.065 20.324 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.316 -4.198 20.945 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.328 -2.793 21.356 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.702 -3.767 19.915 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.799 -4.116 18.955 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -8.159 -3.666 17.900 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.701 -2.647 17.955 1.00 2.80 H new ATOM 521 N SER A 34 -7.731 0.935 21.505 1.00 0.02 N ATOM 522 CA SER A 34 -6.832 2.099 21.775 1.00 0.02 C ATOM 523 C SER A 34 -5.443 1.870 21.172 1.00 0.00 C ATOM 524 O SER A 34 -4.628 2.769 21.119 1.00 0.01 O ATOM 525 CB SER A 34 -6.707 2.285 23.288 1.00 0.02 C ATOM 526 OG SER A 34 -5.912 1.237 23.827 1.00 0.02 O ATOM 0 H SER A 34 -7.769 0.240 22.251 1.00 0.02 H new ATOM 0 HA SER A 34 -7.260 2.990 21.316 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.255 3.251 23.511 1.00 0.02 H new ATOM 0 HB3 SER A 34 -7.695 2.281 23.749 1.00 0.02 H new ATOM 0 HG SER A 34 -5.829 1.355 24.796 1.00 0.02 H new ATOM 532 N ARG A 35 -5.166 0.683 20.709 1.00 0.02 N ATOM 533 CA ARG A 35 -3.833 0.394 20.101 1.00 0.01 C ATOM 534 C ARG A 35 -3.895 -1.002 19.480 1.00 0.02 C ATOM 535 O ARG A 35 -4.767 -1.785 19.791 1.00 0.02 O ATOM 536 CB ARG A 35 -2.734 0.441 21.176 1.00 0.02 C ATOM 537 CG ARG A 35 -3.152 -0.366 22.441 1.00 0.02 C ATOM 538 CD ARG A 35 -2.219 -1.567 22.647 1.00 0.02 C ATOM 539 NE ARG A 35 -0.820 -1.086 22.837 1.00 0.02 N ATOM 540 CZ ARG A 35 0.082 -1.886 23.335 1.00 0.02 C ATOM 541 NH1 ARG A 35 -0.239 -3.103 23.671 1.00 0.00 N ATOM 542 NH2 ARG A 35 1.307 -1.467 23.497 1.00 0.02 N ATOM 0 H ARG A 35 -5.811 -0.107 20.725 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.596 1.140 19.343 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -1.807 0.034 20.771 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.534 1.477 21.451 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -3.121 0.280 23.318 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -4.180 -0.711 22.336 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -2.537 -2.143 23.516 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -2.272 -2.233 21.786 1.00 0.02 H new ATOM 0 HE ARG A 35 -0.569 -0.132 22.578 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -1.196 -3.431 23.545 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.467 -3.728 24.060 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.559 -0.514 23.234 1.00 0.02 H new ATOM 0 HH22 ARG A 35 2.013 -2.092 23.886 1.00 0.02 H new ATOM 556 N CYS A 36 -2.973 -1.333 18.608 1.00 0.02 N ATOM 557 CA CYS A 36 -2.977 -2.688 17.976 1.00 0.02 C ATOM 558 C CYS A 36 -1.528 -3.160 17.816 1.00 0.02 C ATOM 559 O CYS A 36 -0.762 -2.550 17.094 1.00 0.02 O ATOM 560 CB CYS A 36 -3.647 -2.602 16.598 1.00 0.02 C ATOM 561 SG CYS A 36 -3.204 -4.048 15.599 1.00 0.02 S ATOM 0 H CYS A 36 -2.216 -0.720 18.307 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.528 -3.392 18.600 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -4.729 -2.548 16.714 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.335 -1.690 16.090 1.00 0.02 H new ATOM 0 HG CYS A 36 -3.247 -5.116 16.339 1.00 0.02 H new ATOM 567 N ASN A 37 -1.125 -4.218 18.487 1.00 0.02 N ATOM 568 CA ASN A 37 0.297 -4.686 18.369 1.00 0.01 C ATOM 569 C ASN A 37 0.370 -5.990 17.574 1.00 0.02 C ATOM 570 O ASN A 37 1.430 -6.541 17.348 1.00 0.02 O ATOM 571 CB ASN A 37 0.885 -4.913 19.764 1.00 0.02 C ATOM 572 CG ASN A 37 0.919 -3.588 20.526 1.00 0.01 C ATOM 573 OD1 ASN A 37 -0.100 -2.950 20.703 1.00 0.03 O ATOM 574 ND2 ASN A 37 2.053 -3.142 20.985 1.00 0.02 N ATOM 0 H ASN A 37 -1.715 -4.774 19.107 1.00 0.02 H new ATOM 0 HA ASN A 37 0.870 -3.920 17.847 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.285 -5.642 20.309 1.00 0.02 H new ATOM 0 HB3 ASN A 37 1.891 -5.324 19.683 1.00 0.02 H new ATOM 0 HD21 ASN A 37 2.085 -2.258 21.493 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.909 -3.677 20.837 1.00 0.02 H new ATOM 581 N SER A 38 -0.758 -6.467 17.123 1.00 0.02 N ATOM 582 CA SER A 38 -0.799 -7.715 16.308 1.00 0.02 C ATOM 583 C SER A 38 -2.079 -7.683 15.478 1.00 0.01 C ATOM 584 O SER A 38 -3.046 -7.047 15.844 1.00 0.02 O ATOM 585 CB SER A 38 -0.783 -8.950 17.210 1.00 0.01 C ATOM 586 OG SER A 38 -1.128 -10.095 16.441 1.00 0.02 O ATOM 0 H SER A 38 -1.668 -6.037 17.288 1.00 0.02 H new ATOM 0 HA SER A 38 0.076 -7.770 15.661 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.205 -9.079 17.653 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.487 -8.824 18.032 1.00 0.01 H new ATOM 0 HG SER A 38 -0.494 -10.195 15.701 1.00 0.02 H new ATOM 592 N ILE A 39 -2.095 -8.344 14.350 1.00 0.02 N ATOM 593 CA ILE A 39 -3.318 -8.324 13.484 1.00 0.02 C ATOM 594 C ILE A 39 -3.491 -9.675 12.795 1.00 0.02 C ATOM 595 O ILE A 39 -2.538 -10.341 12.435 1.00 0.02 O ATOM 596 CB ILE A 39 -3.163 -7.246 12.394 1.00 0.00 C ATOM 597 CG1 ILE A 39 -3.063 -5.858 13.045 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.383 -7.287 11.457 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.833 -4.793 11.972 1.00 0.00 C ATOM 0 H ILE A 39 -1.317 -8.897 13.989 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.184 -8.110 14.110 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.256 -7.440 11.822 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.977 -5.639 13.596 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -2.245 -5.843 13.765 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.275 -6.525 10.685 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.450 -8.270 10.990 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.289 -7.096 12.031 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.763 -3.812 12.442 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.906 -5.007 11.440 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.665 -4.800 11.268 1.00 0.00 H new ATOM 611 N ARG A 40 -4.723 -10.047 12.564 1.00 0.02 N ATOM 612 CA ARG A 40 -5.029 -11.313 11.836 1.00 0.02 C ATOM 613 C ARG A 40 -5.921 -10.951 10.646 1.00 0.01 C ATOM 614 O ARG A 40 -6.982 -10.384 10.818 1.00 0.02 O ATOM 615 CB ARG A 40 -5.761 -12.312 12.737 1.00 0.01 C ATOM 616 CG ARG A 40 -5.934 -13.639 11.996 1.00 0.02 C ATOM 617 CD ARG A 40 -6.687 -14.626 12.887 1.00 0.02 C ATOM 618 NE ARG A 40 -7.970 -14.013 13.331 1.00 0.02 N ATOM 619 CZ ARG A 40 -8.903 -14.758 13.860 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.711 -16.041 14.001 1.00 0.02 N ATOM 621 NH2 ARG A 40 -10.025 -14.221 14.244 1.00 0.02 N ATOM 0 H ARG A 40 -5.544 -9.517 12.855 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.100 -11.783 11.512 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.198 -12.468 13.657 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.735 -11.914 13.023 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.482 -13.480 11.067 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.960 -14.047 11.726 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.882 -15.549 12.342 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.078 -14.889 13.752 1.00 0.02 H new ATOM 0 HE ARG A 40 -8.120 -13.010 13.222 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.832 -16.462 13.698 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -9.439 -16.623 14.414 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -10.175 -13.218 14.132 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -10.754 -14.803 14.657 1.00 0.02 H new ATOM 635 N VAL A 41 -5.534 -11.312 9.450 1.00 0.02 N ATOM 636 CA VAL A 41 -6.398 -11.034 8.265 1.00 0.01 C ATOM 637 C VAL A 41 -7.026 -12.358 7.848 1.00 0.02 C ATOM 638 O VAL A 41 -6.341 -13.274 7.441 1.00 0.02 O ATOM 639 CB VAL A 41 -5.567 -10.441 7.133 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.496 -10.022 5.993 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.829 -9.208 7.652 1.00 0.00 C ATOM 0 H VAL A 41 -4.656 -11.788 9.243 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.174 -10.308 8.507 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.852 -11.180 6.773 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.906 -9.597 5.181 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.041 -10.893 5.629 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.204 -9.277 6.356 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.232 -8.777 6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.552 -8.471 8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.176 -9.495 8.476 1.00 0.00 H new ATOM 651 N GLU A 42 -8.321 -12.477 7.972 1.00 0.01 N ATOM 652 CA GLU A 42 -8.988 -13.763 7.617 1.00 0.01 C ATOM 653 C GLU A 42 -9.248 -13.814 6.118 1.00 0.02 C ATOM 654 O GLU A 42 -9.194 -14.866 5.512 1.00 0.01 O ATOM 655 CB GLU A 42 -10.311 -13.883 8.380 1.00 0.99 C ATOM 656 CG GLU A 42 -10.762 -15.348 8.411 1.00 1.86 C ATOM 657 CD GLU A 42 -9.910 -16.123 9.416 1.00 3.10 C ATOM 658 OE1 GLU A 42 -10.276 -16.148 10.579 1.00 3.81 O ATOM 659 OE2 GLU A 42 -8.906 -16.679 9.005 1.00 3.67 O ATOM 0 H GLU A 42 -8.945 -11.741 8.303 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.338 -14.594 7.892 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.190 -13.509 9.397 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -11.074 -13.268 7.902 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -11.815 -15.410 8.687 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -10.666 -15.790 7.419 1.00 1.86 H new ATOM 666 N GLY A 43 -9.543 -12.704 5.502 1.00 0.01 N ATOM 667 CA GLY A 43 -9.810 -12.748 4.041 1.00 0.02 C ATOM 668 C GLY A 43 -9.693 -11.355 3.437 1.00 0.02 C ATOM 669 O GLY A 43 -9.987 -10.370 4.082 1.00 0.02 O ATOM 0 H GLY A 43 -9.610 -11.784 5.938 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.104 -13.422 3.556 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.808 -13.147 3.859 1.00 0.02 H new ATOM 673 N GLY A 44 -9.292 -11.268 2.202 1.00 0.00 N ATOM 674 CA GLY A 44 -9.176 -9.929 1.560 1.00 0.01 C ATOM 675 C GLY A 44 -7.828 -9.291 1.906 1.00 0.01 C ATOM 676 O GLY A 44 -7.090 -9.777 2.741 1.00 0.01 O ATOM 0 H GLY A 44 -9.040 -12.060 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.273 -10.027 0.479 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.988 -9.285 1.896 1.00 0.01 H new ATOM 680 N THR A 45 -7.538 -8.173 1.298 1.00 0.01 N ATOM 681 CA THR A 45 -6.271 -7.435 1.605 1.00 0.00 C ATOM 682 C THR A 45 -6.651 -6.049 2.119 1.00 0.01 C ATOM 683 O THR A 45 -7.558 -5.429 1.605 1.00 0.01 O ATOM 684 CB THR A 45 -5.422 -7.292 0.340 1.00 0.73 C ATOM 685 OG1 THR A 45 -4.942 -8.569 -0.048 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.233 -6.356 0.610 1.00 1.48 C ATOM 0 H THR A 45 -8.129 -7.732 0.593 1.00 0.01 H new ATOM 0 HA THR A 45 -5.692 -7.981 2.350 1.00 0.00 H new ATOM 0 HB THR A 45 -6.032 -6.870 -0.459 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.399 -8.482 -0.859 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.633 -6.259 -0.295 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.603 -5.375 0.907 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.619 -6.770 1.410 1.00 1.48 H new ATOM 694 N TRP A 46 -6.018 -5.577 3.166 1.00 0.02 N ATOM 695 CA TRP A 46 -6.410 -4.252 3.747 1.00 0.01 C ATOM 696 C TRP A 46 -5.227 -3.293 3.843 1.00 0.01 C ATOM 697 O TRP A 46 -4.085 -3.678 3.983 1.00 0.01 O ATOM 698 CB TRP A 46 -6.957 -4.489 5.155 1.00 0.00 C ATOM 699 CG TRP A 46 -8.174 -5.350 5.072 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.187 -6.650 4.698 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.554 -4.994 5.363 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.490 -7.112 4.743 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.368 -6.128 5.146 1.00 0.01 C ATOM 704 CE3 TRP A 46 -10.171 -3.804 5.791 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.749 -6.086 5.346 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.559 -3.757 5.993 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.346 -4.897 5.771 1.00 0.01 C ATOM 0 H TRP A 46 -5.250 -6.049 3.643 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.156 -3.801 3.092 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.200 -4.968 5.776 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.202 -3.538 5.628 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.323 -7.231 4.412 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.768 -8.065 4.507 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.573 -2.922 5.965 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.351 -6.966 5.173 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -12.024 -2.839 6.321 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.414 -4.855 5.929 1.00 0.01 H new ATOM 718 N ALA A 47 -5.540 -2.024 3.830 1.00 0.01 N ATOM 719 CA ALA A 47 -4.508 -0.963 3.989 1.00 0.01 C ATOM 720 C ALA A 47 -4.742 -0.392 5.383 1.00 0.01 C ATOM 721 O ALA A 47 -5.857 -0.086 5.752 1.00 0.01 O ATOM 722 CB ALA A 47 -4.695 0.125 2.925 1.00 0.24 C ATOM 0 H ALA A 47 -6.491 -1.673 3.713 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.496 -1.351 3.870 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -3.933 0.894 3.053 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.601 -0.316 1.933 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.684 0.572 3.031 1.00 0.24 H new ATOM 728 N VAL A 48 -3.697 -0.223 6.153 1.00 0.01 N ATOM 729 CA VAL A 48 -3.844 0.355 7.524 1.00 0.02 C ATOM 730 C VAL A 48 -3.101 1.681 7.582 1.00 0.01 C ATOM 731 O VAL A 48 -2.037 1.816 7.015 1.00 0.01 O ATOM 732 CB VAL A 48 -3.269 -0.605 8.567 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.005 -1.944 8.483 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.778 -0.821 8.293 1.00 0.65 C ATOM 0 H VAL A 48 -2.741 -0.462 5.889 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.901 0.511 7.740 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.396 -0.182 9.564 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.597 -2.630 9.225 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.066 -1.789 8.677 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -3.876 -2.368 7.487 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.367 -1.505 9.036 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.649 -1.246 7.298 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.255 0.134 8.351 1.00 0.65 H new ATOM 744 N TYR A 49 -3.652 2.660 8.256 1.00 0.01 N ATOM 745 CA TYR A 49 -2.982 3.996 8.347 1.00 0.01 C ATOM 746 C TYR A 49 -2.714 4.324 9.810 1.00 0.01 C ATOM 747 O TYR A 49 -3.469 3.981 10.702 1.00 0.02 O ATOM 748 CB TYR A 49 -3.888 5.057 7.728 1.00 0.01 C ATOM 749 CG TYR A 49 -4.078 4.751 6.261 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.990 3.765 5.866 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.341 5.451 5.299 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.167 3.479 4.506 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.519 5.165 3.939 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.431 4.179 3.543 1.00 0.02 C ATOM 755 OH TYR A 49 -4.607 3.899 2.202 1.00 0.01 O ATOM 0 H TYR A 49 -4.542 2.592 8.750 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.036 3.976 7.806 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.852 5.072 8.237 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.447 6.046 7.852 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.557 3.225 6.610 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.636 6.210 5.604 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -5.871 2.719 4.201 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -2.952 5.706 3.195 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.021 4.475 1.668 1.00 0.01 H new ATOM 765 N GLU A 50 -1.597 4.959 10.043 1.00 0.01 N ATOM 766 CA GLU A 50 -1.166 5.295 11.425 1.00 0.01 C ATOM 767 C GLU A 50 -2.112 6.310 12.073 1.00 0.01 C ATOM 768 O GLU A 50 -2.337 6.257 13.265 1.00 0.02 O ATOM 769 CB GLU A 50 0.264 5.868 11.358 1.00 0.02 C ATOM 770 CG GLU A 50 1.037 5.496 12.628 1.00 0.01 C ATOM 771 CD GLU A 50 1.371 4.002 12.598 1.00 0.02 C ATOM 772 OE1 GLU A 50 1.213 3.399 11.549 1.00 0.02 O ATOM 773 OE2 GLU A 50 1.779 3.487 13.624 1.00 0.01 O ATOM 0 H GLU A 50 -0.952 5.265 9.314 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.188 4.394 12.038 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.780 5.478 10.481 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.226 6.952 11.250 1.00 0.02 H new ATOM 0 HG2 GLU A 50 1.953 6.084 12.696 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.442 5.730 13.511 1.00 0.01 H new ATOM 780 N ARG A 51 -2.654 7.246 11.318 1.00 0.02 N ATOM 781 CA ARG A 51 -3.565 8.278 11.923 1.00 0.02 C ATOM 782 C ARG A 51 -4.936 8.234 11.210 1.00 0.01 C ATOM 783 O ARG A 51 -5.039 7.774 10.087 1.00 0.02 O ATOM 784 CB ARG A 51 -2.917 9.672 11.718 1.00 0.02 C ATOM 785 CG ARG A 51 -2.133 10.100 12.971 1.00 0.01 C ATOM 786 CD ARG A 51 -0.903 9.201 13.158 1.00 0.02 C ATOM 787 NE ARG A 51 0.083 9.894 14.036 1.00 0.02 N ATOM 788 CZ ARG A 51 1.070 9.223 14.566 1.00 0.02 C ATOM 789 NH1 ARG A 51 1.203 7.949 14.315 1.00 0.02 N ATOM 790 NH2 ARG A 51 1.929 9.828 15.339 1.00 0.01 N ATOM 0 H ARG A 51 -2.505 7.338 10.313 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.711 8.082 12.985 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.249 9.644 10.857 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.690 10.408 11.498 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -1.821 11.140 12.877 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -2.775 10.038 13.850 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.197 8.250 13.602 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.452 8.976 12.192 1.00 0.02 H new ATOM 0 HE ARG A 51 -0.013 10.892 14.223 1.00 0.02 H new ATOM 0 HH11 ARG A 51 0.536 7.477 13.705 1.00 0.02 H new ATOM 0 HH12 ARG A 51 1.974 7.425 14.729 1.00 0.02 H new ATOM 0 HH21 ARG A 51 1.830 10.825 15.529 1.00 0.01 H new ATOM 0 HH22 ARG A 51 2.700 9.304 15.753 1.00 0.01 H new ATOM 804 N PRO A 52 -5.981 8.722 11.856 1.00 0.02 N ATOM 805 CA PRO A 52 -7.344 8.720 11.247 1.00 0.02 C ATOM 806 C PRO A 52 -7.376 9.402 9.873 1.00 0.01 C ATOM 807 O PRO A 52 -6.467 10.106 9.479 1.00 0.02 O ATOM 808 CB PRO A 52 -8.186 9.490 12.289 1.00 0.02 C ATOM 809 CG PRO A 52 -7.242 10.012 13.387 1.00 0.01 C ATOM 810 CD PRO A 52 -5.886 9.307 13.230 1.00 0.01 C ATOM 0 HA PRO A 52 -7.714 7.714 11.048 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.711 10.319 11.814 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.945 8.837 12.720 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.121 11.092 13.302 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.661 9.815 14.374 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.053 10.005 13.317 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.738 8.539 13.989 1.00 0.01 H new ATOM 818 N ASN A 53 -8.460 9.199 9.172 1.00 0.02 N ATOM 819 CA ASN A 53 -8.646 9.829 7.838 1.00 0.02 C ATOM 820 C ASN A 53 -7.594 9.339 6.845 1.00 0.01 C ATOM 821 O ASN A 53 -7.125 10.070 6.000 1.00 0.01 O ATOM 822 CB ASN A 53 -8.564 11.353 7.978 1.00 0.01 C ATOM 823 CG ASN A 53 -9.142 12.018 6.725 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.343 12.087 6.558 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.332 12.509 5.827 1.00 0.01 N ATOM 0 H ASN A 53 -9.237 8.612 9.476 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.627 9.546 7.455 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -9.115 11.677 8.861 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -7.528 11.660 8.119 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -8.708 12.949 4.987 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.323 12.452 5.965 1.00 0.01 H new ATOM 832 N PHE A 54 -7.248 8.082 6.934 1.00 0.02 N ATOM 833 CA PHE A 54 -6.257 7.495 5.992 1.00 0.01 C ATOM 834 C PHE A 54 -5.058 8.432 5.811 1.00 0.01 C ATOM 835 O PHE A 54 -4.681 8.780 4.710 1.00 0.02 O ATOM 836 CB PHE A 54 -6.945 7.241 4.642 1.00 1.78 C ATOM 837 CG PHE A 54 -8.382 6.828 4.884 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.661 5.697 5.663 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.433 7.573 4.337 1.00 2.77 C ATOM 840 CE1 PHE A 54 -9.987 5.314 5.894 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.758 7.190 4.568 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.035 6.062 5.345 1.00 3.39 C ATOM 0 H PHE A 54 -7.616 7.431 7.628 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.886 6.554 6.399 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -6.911 8.141 4.028 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.418 6.461 4.093 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.852 5.120 6.086 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.220 8.445 3.736 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.201 4.443 6.495 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.568 7.766 4.146 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.059 5.767 5.522 1.00 3.39 H new ATOM 852 N SER A 55 -4.468 8.838 6.909 1.00 0.02 N ATOM 853 CA SER A 55 -3.283 9.757 6.857 1.00 0.02 C ATOM 854 C SER A 55 -2.124 9.150 7.651 1.00 0.01 C ATOM 855 O SER A 55 -2.307 8.233 8.428 1.00 0.01 O ATOM 856 CB SER A 55 -3.666 11.101 7.474 1.00 1.90 C ATOM 857 OG SER A 55 -2.493 11.883 7.657 1.00 2.33 O ATOM 0 H SER A 55 -4.758 8.570 7.849 1.00 0.02 H new ATOM 0 HA SER A 55 -2.976 9.897 5.820 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.369 11.625 6.826 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.167 10.946 8.430 1.00 1.90 H new ATOM 0 HG SER A 55 -2.734 12.747 8.051 1.00 2.33 H new ATOM 863 N GLY A 56 -0.926 9.642 7.450 1.00 0.02 N ATOM 864 CA GLY A 56 0.251 9.082 8.180 1.00 0.02 C ATOM 865 C GLY A 56 0.829 7.899 7.398 1.00 0.02 C ATOM 866 O GLY A 56 0.579 7.747 6.219 1.00 0.00 O ATOM 0 H GLY A 56 -0.713 10.408 6.811 1.00 0.02 H new ATOM 0 HA2 GLY A 56 1.012 9.852 8.308 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.047 8.760 9.178 1.00 0.02 H new ATOM 870 N HIS A 57 1.608 7.066 8.032 1.00 0.02 N ATOM 871 CA HIS A 57 2.208 5.907 7.305 1.00 0.02 C ATOM 872 C HIS A 57 1.113 4.931 6.876 1.00 0.01 C ATOM 873 O HIS A 57 0.215 4.632 7.636 1.00 0.01 O ATOM 874 CB HIS A 57 3.191 5.185 8.226 1.00 0.00 C ATOM 875 CG HIS A 57 4.390 6.060 8.458 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.704 7.121 7.622 1.00 0.01 N ATOM 877 CD2 HIS A 57 5.361 6.047 9.426 1.00 0.01 C ATOM 878 CE1 HIS A 57 5.822 7.698 8.100 1.00 0.02 C ATOM 879 NE2 HIS A 57 6.263 7.082 9.199 1.00 0.01 N ATOM 0 H HIS A 57 1.856 7.136 9.019 1.00 0.02 H new ATOM 0 HA HIS A 57 2.728 6.274 6.420 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.710 4.948 9.175 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.498 4.239 7.779 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.417 5.341 10.241 1.00 0.01 H new ATOM 0 HE1 HIS A 57 6.303 8.554 7.650 1.00 0.02 H new ATOM 0 HE2 HIS A 57 7.085 7.319 9.754 1.00 0.01 H new ATOM 887 N MET A 58 1.193 4.420 5.667 1.00 0.02 N ATOM 888 CA MET A 58 0.168 3.441 5.178 1.00 0.02 C ATOM 889 C MET A 58 0.859 2.126 4.793 1.00 0.01 C ATOM 890 O MET A 58 1.900 2.120 4.168 1.00 0.01 O ATOM 891 CB MET A 58 -0.556 4.022 3.961 1.00 2.61 C ATOM 892 CG MET A 58 0.408 4.122 2.782 1.00 3.46 C ATOM 893 SD MET A 58 -0.319 5.168 1.498 1.00 4.50 S ATOM 894 CE MET A 58 -1.290 3.883 0.673 1.00 5.01 C ATOM 0 H MET A 58 1.928 4.641 4.996 1.00 0.02 H new ATOM 0 HA MET A 58 -0.558 3.248 5.968 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.404 3.391 3.696 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.955 5.008 4.201 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.360 4.539 3.111 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.616 3.129 2.383 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.988 4.346 -0.025 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.622 3.215 0.129 1.00 5.01 H new ATOM 0 HE3 MET A 58 -1.846 3.313 1.417 1.00 5.01 H new ATOM 904 N TYR A 59 0.283 1.016 5.173 1.00 0.02 N ATOM 905 CA TYR A 59 0.886 -0.320 4.856 1.00 0.01 C ATOM 906 C TYR A 59 -0.202 -1.254 4.309 1.00 0.01 C ATOM 907 O TYR A 59 -1.329 -1.253 4.763 1.00 0.02 O ATOM 908 CB TYR A 59 1.455 -0.933 6.136 1.00 0.01 C ATOM 909 CG TYR A 59 2.773 -0.277 6.477 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.945 -0.680 5.824 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.826 0.735 7.445 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.166 -0.076 6.137 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.049 1.339 7.758 1.00 0.01 C ATOM 914 CZ TYR A 59 5.218 0.934 7.104 1.00 0.01 C ATOM 915 OH TYR A 59 6.424 1.530 7.412 1.00 0.01 O ATOM 0 H TYR A 59 -0.591 0.974 5.697 1.00 0.02 H new ATOM 0 HA TYR A 59 1.676 -0.193 4.116 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.750 -0.802 6.957 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.596 -2.006 6.005 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.905 -1.459 5.077 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.924 1.049 7.949 1.00 0.01 H new ATOM 0 HE1 TYR A 59 6.069 -0.389 5.633 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.091 2.118 8.505 1.00 0.01 H new ATOM 0 HH TYR A 59 6.285 2.212 8.102 1.00 0.01 H new ATOM 925 N ILE A 60 0.150 -2.061 3.340 1.00 0.02 N ATOM 926 CA ILE A 60 -0.826 -3.026 2.744 1.00 0.01 C ATOM 927 C ILE A 60 -0.654 -4.393 3.415 1.00 0.01 C ATOM 928 O ILE A 60 0.452 -4.872 3.577 1.00 0.01 O ATOM 929 CB ILE A 60 -0.558 -3.157 1.242 1.00 0.45 C ATOM 930 CG1 ILE A 60 -0.445 -1.762 0.608 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.699 -3.936 0.578 1.00 1.21 C ATOM 932 CD1 ILE A 60 -1.651 -0.905 1.002 1.00 1.72 C ATOM 0 H ILE A 60 1.084 -2.093 2.931 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.843 -2.666 2.901 1.00 0.01 H new ATOM 0 HB ILE A 60 0.379 -3.694 1.092 1.00 0.45 H new ATOM 0 HG12 ILE A 60 0.476 -1.279 0.935 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -0.391 -1.851 -0.477 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.504 -4.027 -0.491 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.767 -4.930 1.020 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.639 -3.406 0.732 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.561 0.081 0.547 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -2.566 -1.383 0.653 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -1.686 -0.803 2.087 1.00 1.72 H new ATOM 944 N LEU A 61 -1.738 -5.014 3.825 1.00 0.01 N ATOM 945 CA LEU A 61 -1.646 -6.347 4.515 1.00 0.01 C ATOM 946 C LEU A 61 -2.462 -7.417 3.737 1.00 0.01 C ATOM 947 O LEU A 61 -3.677 -7.384 3.763 1.00 0.00 O ATOM 948 CB LEU A 61 -2.231 -6.187 5.945 1.00 0.01 C ATOM 949 CG LEU A 61 -1.118 -6.284 7.007 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.619 -5.704 8.333 1.00 0.01 C ATOM 951 CD2 LEU A 61 -0.735 -7.753 7.214 1.00 0.01 C ATOM 0 H LEU A 61 -2.686 -4.655 3.712 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.606 -6.672 4.557 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.738 -5.226 6.030 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.979 -6.959 6.125 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.248 -5.721 6.668 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.830 -5.774 9.082 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -1.894 -4.659 8.192 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.490 -6.266 8.670 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.052 -7.821 7.965 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -1.608 -8.313 7.551 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -0.377 -8.172 6.274 1.00 0.01 H new ATOM 963 N PRO A 62 -1.832 -8.386 3.079 1.00 0.02 N ATOM 964 CA PRO A 62 -2.605 -9.445 2.370 1.00 0.01 C ATOM 965 C PRO A 62 -3.177 -10.456 3.377 1.00 0.00 C ATOM 966 O PRO A 62 -2.830 -10.440 4.542 1.00 0.02 O ATOM 967 CB PRO A 62 -1.542 -10.086 1.463 1.00 1.47 C ATOM 968 CG PRO A 62 -0.154 -9.659 1.981 1.00 1.29 C ATOM 969 CD PRO A 62 -0.344 -8.497 2.976 1.00 0.82 C ATOM 0 HA PRO A 62 -3.465 -9.071 1.815 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.636 -11.172 1.475 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.679 -9.765 0.430 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.344 -10.498 2.468 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.482 -9.348 1.152 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.113 -8.713 3.942 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.106 -7.574 2.610 1.00 0.82 H new ATOM 977 N GLN A 63 -4.046 -11.331 2.948 1.00 0.02 N ATOM 978 CA GLN A 63 -4.633 -12.327 3.889 1.00 0.00 C ATOM 979 C GLN A 63 -3.528 -13.081 4.632 1.00 0.00 C ATOM 980 O GLN A 63 -2.516 -13.429 4.058 1.00 0.02 O ATOM 981 CB GLN A 63 -5.477 -13.333 3.101 1.00 1.27 C ATOM 982 CG GLN A 63 -4.668 -13.861 1.915 1.00 1.67 C ATOM 983 CD GLN A 63 -5.502 -14.886 1.144 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.085 -16.012 0.964 1.00 4.25 O ATOM 985 NE2 GLN A 63 -6.671 -14.541 0.681 1.00 3.04 N ATOM 0 H GLN A 63 -4.375 -11.399 1.985 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.253 -11.799 4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.775 -14.158 3.747 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.392 -12.858 2.748 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -4.386 -13.038 1.258 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -3.744 -14.319 2.267 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -7.021 -13.595 0.833 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -7.236 -15.217 0.167 1.00 3.04 H new ATOM 994 N GLY A 64 -3.707 -13.343 5.904 1.00 0.02 N ATOM 995 CA GLY A 64 -2.654 -14.084 6.660 1.00 0.01 C ATOM 996 C GLY A 64 -2.741 -13.759 8.152 1.00 0.02 C ATOM 997 O GLY A 64 -3.609 -13.035 8.599 1.00 0.02 O ATOM 0 H GLY A 64 -4.529 -13.078 6.446 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.774 -15.157 6.507 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.668 -13.817 6.280 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.837 -14.300 8.927 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.833 -14.047 10.404 1.00 0.02 C ATOM 1003 C GLU A 65 -0.524 -13.370 10.799 1.00 0.02 C ATOM 1004 O GLU A 65 0.554 -13.823 10.463 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.946 -15.384 11.141 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.934 -15.135 12.653 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.441 -16.382 13.384 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -1.964 -17.460 13.073 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -3.297 -16.235 14.241 1.00 0.96 O ATOM 0 H GLU A 65 -1.092 -14.914 8.598 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.673 -13.404 10.668 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.865 -15.894 10.853 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -1.119 -16.036 10.862 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -0.924 -14.893 12.984 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.563 -14.278 12.896 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.622 -12.290 11.530 1.00 0.02 N ATOM 1017 CA TYR A 66 0.591 -11.553 11.992 1.00 0.02 C ATOM 1018 C TYR A 66 0.566 -11.524 13.531 1.00 0.02 C ATOM 1019 O TYR A 66 -0.090 -10.679 14.116 1.00 0.02 O ATOM 1020 CB TYR A 66 0.521 -10.126 11.449 1.00 0.01 C ATOM 1021 CG TYR A 66 0.567 -10.182 9.939 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.565 -10.587 9.219 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.742 -9.843 9.261 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.519 -10.650 7.823 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.789 -9.906 7.865 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.659 -10.310 7.145 1.00 0.02 C ATOM 1027 OH TYR A 66 0.706 -10.372 5.767 1.00 0.01 O ATOM 0 H TYR A 66 -1.507 -11.881 11.831 1.00 0.02 H new ATOM 0 HA TYR A 66 1.505 -12.032 11.642 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.396 -9.639 11.782 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.353 -9.535 11.831 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.472 -10.850 9.742 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.614 -9.532 9.816 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.391 -10.961 7.267 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.697 -9.643 7.343 1.00 0.02 H new ATOM 0 HH TYR A 66 1.596 -10.103 5.458 1.00 0.01 H new ATOM 1037 N PRO A 67 1.242 -12.446 14.197 1.00 0.01 N ATOM 1038 CA PRO A 67 1.219 -12.478 15.685 1.00 0.02 C ATOM 1039 C PRO A 67 1.918 -11.275 16.339 1.00 0.02 C ATOM 1040 O PRO A 67 1.889 -11.133 17.544 1.00 0.02 O ATOM 1041 CB PRO A 67 1.947 -13.800 16.016 1.00 0.02 C ATOM 1042 CG PRO A 67 2.422 -14.444 14.697 1.00 0.02 C ATOM 1043 CD PRO A 67 2.053 -13.507 13.531 1.00 0.01 C ATOM 0 HA PRO A 67 0.202 -12.422 16.074 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.797 -13.610 16.672 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.279 -14.477 16.548 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.499 -14.609 14.723 1.00 0.02 H new ATOM 0 HG3 PRO A 67 1.953 -15.419 14.562 1.00 0.02 H new ATOM 0 HD2 PRO A 67 2.939 -13.095 13.049 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.483 -14.026 12.760 1.00 0.01 H new ATOM 1051 N GLU A 68 2.522 -10.396 15.583 1.00 0.01 N ATOM 1052 CA GLU A 68 3.185 -9.218 16.216 1.00 0.01 C ATOM 1053 C GLU A 68 3.285 -8.108 15.173 1.00 0.03 C ATOM 1054 O GLU A 68 3.274 -8.343 13.982 1.00 0.02 O ATOM 1055 CB GLU A 68 4.602 -9.592 16.668 1.00 0.69 C ATOM 1056 CG GLU A 68 4.537 -10.589 17.823 1.00 1.09 C ATOM 1057 CD GLU A 68 5.912 -10.694 18.486 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.786 -9.925 18.118 1.00 1.55 O ATOM 1059 OE2 GLU A 68 6.069 -11.540 19.352 1.00 2.02 O ATOM 0 H GLU A 68 2.585 -10.441 14.566 1.00 0.01 H new ATOM 0 HA GLU A 68 2.605 -8.893 17.080 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.156 -10.024 15.835 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.141 -8.697 16.979 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.793 -10.268 18.553 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.223 -11.566 17.456 1.00 1.09 H new ATOM 1066 N TYR A 69 3.340 -6.889 15.627 1.00 0.02 N ATOM 1067 CA TYR A 69 3.383 -5.743 14.682 1.00 0.02 C ATOM 1068 C TYR A 69 4.614 -5.807 13.771 1.00 0.01 C ATOM 1069 O TYR A 69 4.547 -5.481 12.601 1.00 0.01 O ATOM 1070 CB TYR A 69 3.349 -4.429 15.465 1.00 0.02 C ATOM 1071 CG TYR A 69 4.646 -4.245 16.222 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.867 -4.950 17.411 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.624 -3.365 15.739 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.064 -4.775 18.119 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.822 -3.191 16.444 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.042 -3.897 17.635 1.00 0.02 C ATOM 1077 OH TYR A 69 8.221 -3.727 18.333 1.00 0.01 O ATOM 0 H TYR A 69 3.357 -6.637 16.615 1.00 0.02 H new ATOM 0 HA TYR A 69 2.506 -5.797 14.037 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.195 -3.593 14.783 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.510 -4.432 16.160 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.114 -5.629 17.783 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.454 -2.820 14.822 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.232 -5.317 19.038 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.575 -2.514 16.070 1.00 0.02 H new ATOM 0 HH TYR A 69 8.791 -3.085 17.861 1.00 0.01 H new ATOM 1087 N GLN A 70 5.742 -6.215 14.294 1.00 0.01 N ATOM 1088 CA GLN A 70 6.976 -6.299 13.457 1.00 0.02 C ATOM 1089 C GLN A 70 6.767 -7.278 12.297 1.00 0.01 C ATOM 1090 O GLN A 70 7.396 -7.183 11.267 1.00 0.02 O ATOM 1091 CB GLN A 70 8.138 -6.796 14.322 1.00 0.01 C ATOM 1092 CG GLN A 70 8.230 -5.944 15.588 1.00 0.01 C ATOM 1093 CD GLN A 70 9.357 -6.473 16.478 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.151 -7.376 17.264 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.545 -5.949 16.389 1.00 0.02 N ATOM 0 H GLN A 70 5.861 -6.494 15.268 1.00 0.01 H new ATOM 0 HA GLN A 70 7.198 -5.310 13.056 1.00 0.02 H new ATOM 0 HB2 GLN A 70 7.988 -7.843 14.585 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.072 -6.739 13.763 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.418 -4.903 15.326 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.283 -5.971 16.127 1.00 0.01 H new ATOM 0 HE21 GLN A 70 10.720 -5.191 15.730 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.301 -6.297 16.979 1.00 0.02 H new ATOM 1104 N ARG A 71 5.862 -8.207 12.459 1.00 0.01 N ATOM 1105 CA ARG A 71 5.593 -9.185 11.364 1.00 0.02 C ATOM 1106 C ARG A 71 4.932 -8.450 10.197 1.00 0.01 C ATOM 1107 O ARG A 71 4.905 -8.917 9.075 1.00 0.02 O ATOM 1108 CB ARG A 71 4.663 -10.289 11.878 1.00 0.34 C ATOM 1109 CG ARG A 71 4.652 -11.474 10.896 1.00 0.72 C ATOM 1110 CD ARG A 71 5.897 -12.369 11.103 1.00 1.04 C ATOM 1111 NE ARG A 71 6.512 -12.708 9.778 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.780 -13.116 8.770 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.503 -13.333 8.923 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.338 -13.337 7.610 1.00 3.42 N ATOM 0 H ARG A 71 5.299 -8.331 13.300 1.00 0.01 H new ATOM 0 HA ARG A 71 6.527 -9.637 11.031 1.00 0.02 H new ATOM 0 HB2 ARG A 71 4.994 -10.625 12.861 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.653 -9.897 11.998 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.747 -12.063 11.040 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.631 -11.103 9.871 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.625 -11.854 11.730 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.615 -13.283 11.627 1.00 1.04 H new ATOM 0 HE ARG A 71 7.521 -12.619 9.659 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.066 -13.185 9.833 1.00 2.54 H new ATOM 0 HH12 ARG A 71 3.941 -13.650 8.133 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.341 -13.192 7.490 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.771 -13.655 6.824 1.00 3.42 H new ATOM 1128 N TRP A 72 4.401 -7.290 10.474 1.00 0.02 N ATOM 1129 CA TRP A 72 3.724 -6.471 9.428 1.00 0.01 C ATOM 1130 C TRP A 72 4.642 -5.280 9.114 1.00 0.01 C ATOM 1131 O TRP A 72 4.266 -4.329 8.464 1.00 0.02 O ATOM 1132 CB TRP A 72 2.349 -6.044 10.009 1.00 0.02 C ATOM 1133 CG TRP A 72 1.950 -4.656 9.604 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.698 -4.254 8.342 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.722 -3.497 10.459 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.344 -2.920 8.365 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.344 -2.408 9.646 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.811 -3.289 11.846 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 1.063 -1.154 10.186 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.527 -2.029 12.396 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.155 -0.962 11.567 1.00 0.02 C ATOM 0 H TRP A 72 4.408 -6.867 11.402 1.00 0.02 H new ATOM 0 HA TRP A 72 3.546 -7.007 8.496 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.586 -6.748 9.677 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.386 -6.103 11.097 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.762 -4.873 7.459 1.00 0.01 H new ATOM 0 HE1 TRP A 72 1.110 -2.377 7.534 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.100 -4.104 12.493 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.776 -0.336 9.541 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.596 -1.881 13.464 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.940 0.006 11.994 1.00 0.02 H new ATOM 1152 N MET A 73 5.855 -5.346 9.595 1.00 0.02 N ATOM 1153 CA MET A 73 6.841 -4.250 9.366 1.00 0.02 C ATOM 1154 C MET A 73 6.311 -2.932 9.939 1.00 0.01 C ATOM 1155 O MET A 73 6.716 -1.860 9.542 1.00 0.02 O ATOM 1156 CB MET A 73 7.122 -4.091 7.862 1.00 0.02 C ATOM 1157 CG MET A 73 7.632 -5.415 7.283 1.00 0.01 C ATOM 1158 SD MET A 73 6.229 -6.507 6.943 1.00 0.01 S ATOM 1159 CE MET A 73 7.140 -7.762 6.009 1.00 0.01 C ATOM 0 H MET A 73 6.210 -6.127 10.147 1.00 0.02 H new ATOM 0 HA MET A 73 7.770 -4.508 9.874 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.213 -3.784 7.344 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.861 -3.306 7.702 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.193 -5.231 6.367 1.00 0.01 H new ATOM 0 HG3 MET A 73 8.316 -5.892 7.985 1.00 0.01 H new ATOM 0 HE1 MET A 73 6.455 -8.549 5.694 1.00 0.01 H new ATOM 0 HE2 MET A 73 7.595 -7.303 5.131 1.00 0.01 H new ATOM 0 HE3 MET A 73 7.919 -8.190 6.639 1.00 0.01 H new ATOM 1169 N GLY A 74 5.408 -3.015 10.880 1.00 0.02 N ATOM 1170 CA GLY A 74 4.849 -1.780 11.494 1.00 0.02 C ATOM 1171 C GLY A 74 5.978 -0.988 12.149 1.00 0.01 C ATOM 1172 O GLY A 74 6.910 -1.550 12.695 1.00 0.01 O ATOM 0 H GLY A 74 5.034 -3.889 11.249 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.356 -1.173 10.734 1.00 0.02 H new ATOM 0 HA3 GLY A 74 4.093 -2.039 12.235 1.00 0.02 H new ATOM 1176 N LEU A 75 5.888 0.314 12.135 1.00 0.02 N ATOM 1177 CA LEU A 75 6.943 1.133 12.799 1.00 0.02 C ATOM 1178 C LEU A 75 6.662 1.136 14.308 1.00 0.01 C ATOM 1179 O LEU A 75 7.562 1.183 15.122 1.00 0.02 O ATOM 1180 CB LEU A 75 6.917 2.558 12.234 1.00 0.55 C ATOM 1181 CG LEU A 75 7.859 3.469 13.037 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.269 2.865 13.077 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.913 4.845 12.367 1.00 0.42 C ATOM 0 H LEU A 75 5.135 0.844 11.696 1.00 0.02 H new ATOM 0 HA LEU A 75 7.933 0.716 12.614 1.00 0.02 H new ATOM 0 HB2 LEU A 75 7.217 2.546 11.186 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.901 2.952 12.270 1.00 0.55 H new ATOM 0 HG LEU A 75 7.486 3.565 14.057 1.00 0.58 H new ATOM 0 HD11 LEU A 75 9.929 3.518 13.648 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.231 1.884 13.550 1.00 0.98 H new ATOM 0 HD13 LEU A 75 9.650 2.763 12.061 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.579 5.498 12.930 1.00 0.42 H new ATOM 0 HD22 LEU A 75 8.285 4.739 11.348 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.913 5.279 12.345 1.00 0.42 H new ATOM 1195 N ASN A 76 5.412 1.044 14.681 1.00 0.01 N ATOM 1196 CA ASN A 76 5.024 0.998 16.116 1.00 0.02 C ATOM 1197 C ASN A 76 3.641 0.341 16.174 1.00 0.02 C ATOM 1198 O ASN A 76 3.166 -0.175 15.182 1.00 0.02 O ATOM 1199 CB ASN A 76 4.970 2.418 16.692 1.00 0.02 C ATOM 1200 CG ASN A 76 4.398 3.373 15.644 1.00 0.02 C ATOM 1201 OD1 ASN A 76 5.128 3.921 14.839 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.114 3.597 15.621 1.00 0.02 N ATOM 0 H ASN A 76 4.627 0.998 14.032 1.00 0.01 H new ATOM 0 HA ASN A 76 5.747 0.434 16.705 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.352 2.434 17.590 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.969 2.740 16.987 1.00 0.02 H new ATOM 0 HD21 ASN A 76 2.720 4.232 14.927 1.00 0.02 H new ATOM 0 HD22 ASN A 76 2.504 3.137 16.296 1.00 0.02 H new ATOM 1209 N ASP A 77 2.987 0.340 17.308 1.00 0.01 N ATOM 1210 CA ASP A 77 1.638 -0.310 17.391 1.00 0.01 C ATOM 1211 C ASP A 77 0.529 0.742 17.276 1.00 0.01 C ATOM 1212 O ASP A 77 -0.551 0.569 17.808 1.00 0.01 O ATOM 1213 CB ASP A 77 1.503 -1.025 18.736 1.00 0.01 C ATOM 1214 CG ASP A 77 1.664 -0.013 19.872 1.00 0.01 C ATOM 1215 OD1 ASP A 77 0.868 0.910 19.932 1.00 0.02 O ATOM 1216 OD2 ASP A 77 2.578 -0.181 20.663 1.00 0.01 O ATOM 0 H ASP A 77 3.323 0.757 18.176 1.00 0.01 H new ATOM 0 HA ASP A 77 1.542 -1.023 16.572 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.530 -1.512 18.804 1.00 0.01 H new ATOM 0 HB3 ASP A 77 2.258 -1.807 18.822 1.00 0.01 H new ATOM 1221 N ARG A 78 0.785 1.840 16.603 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.258 2.909 16.481 1.00 0.01 C ATOM 1223 C ARG A 78 -1.018 2.753 15.154 1.00 0.02 C ATOM 1224 O ARG A 78 -0.437 2.788 14.089 1.00 0.02 O ATOM 1225 CB ARG A 78 0.431 4.288 16.556 1.00 0.43 C ATOM 1226 CG ARG A 78 -0.488 5.315 17.228 1.00 0.80 C ATOM 1227 CD ARG A 78 -1.794 5.435 16.445 1.00 1.00 C ATOM 1228 NE ARG A 78 -2.527 6.647 16.905 1.00 1.30 N ATOM 1229 CZ ARG A 78 -3.517 7.120 16.198 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -3.887 6.514 15.104 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -4.142 8.196 16.591 1.00 3.20 N ATOM 0 H ARG A 78 1.668 2.041 16.134 1.00 0.01 H new ATOM 0 HA ARG A 78 -0.977 2.822 17.295 1.00 0.01 H new ATOM 0 HB2 ARG A 78 1.363 4.205 17.115 1.00 0.43 H new ATOM 0 HB3 ARG A 78 0.691 4.626 15.553 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -0.696 5.013 18.255 1.00 0.80 H new ATOM 0 HG3 ARG A 78 0.008 6.284 17.275 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -1.587 5.503 15.377 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -2.406 4.546 16.595 1.00 1.00 H new ATOM 0 HE ARG A 78 -2.255 7.108 17.773 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -3.403 5.669 14.800 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -4.661 6.885 14.552 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -3.857 8.667 17.450 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -4.916 8.567 16.039 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.317 2.604 15.213 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.133 2.472 13.968 1.00 0.01 C ATOM 1247 C LEU A 79 -4.464 3.198 14.196 1.00 0.01 C ATOM 1248 O LEU A 79 -5.168 2.926 15.149 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.383 0.988 13.675 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.100 0.338 13.126 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.315 -1.172 13.011 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.745 0.925 11.740 1.00 2.61 C ATOM 0 H LEU A 79 -2.853 2.568 16.080 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.611 2.909 13.117 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.699 0.477 14.585 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.192 0.882 12.952 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.275 0.544 13.808 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.410 -1.640 12.623 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.543 -1.583 13.995 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.146 -1.371 12.334 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -0.835 0.454 11.367 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.563 0.736 11.044 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.586 2.000 11.830 1.00 2.61 H new ATOM 1264 N GLY A 80 -4.789 4.162 13.363 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.048 4.953 13.561 1.00 0.02 C ATOM 1266 C GLY A 80 -7.109 4.654 12.496 1.00 0.02 C ATOM 1267 O GLY A 80 -8.269 4.966 12.686 1.00 0.01 O ATOM 0 H GLY A 80 -4.234 4.435 12.552 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.458 4.735 14.547 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -5.810 6.017 13.543 1.00 0.02 H new ATOM 1271 N SER A 81 -6.763 4.075 11.375 1.00 0.01 N ATOM 1272 CA SER A 81 -7.829 3.813 10.351 1.00 0.01 C ATOM 1273 C SER A 81 -7.425 2.668 9.427 1.00 0.02 C ATOM 1274 O SER A 81 -6.263 2.366 9.246 1.00 0.01 O ATOM 1275 CB SER A 81 -8.053 5.077 9.524 1.00 0.01 C ATOM 1276 OG SER A 81 -8.852 4.762 8.392 1.00 0.01 O ATOM 0 H SER A 81 -5.820 3.779 11.125 1.00 0.01 H new ATOM 0 HA SER A 81 -8.748 3.534 10.867 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.544 5.839 10.129 1.00 0.01 H new ATOM 0 HB3 SER A 81 -7.096 5.491 9.205 1.00 0.01 H new ATOM 0 HG SER A 81 -8.745 5.460 7.712 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.401 2.024 8.831 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.102 0.891 7.905 1.00 0.01 C ATOM 1284 C CYS A 82 -9.117 0.862 6.757 1.00 0.01 C ATOM 1285 O CYS A 82 -10.274 1.206 6.920 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.163 -0.431 8.671 1.00 0.01 C ATOM 1287 SG CYS A 82 -7.587 -1.776 7.606 1.00 0.02 S ATOM 0 H CYS A 82 -9.392 2.236 8.948 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.102 1.029 7.493 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -7.545 -0.373 9.567 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.184 -0.626 9.000 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.816 -1.294 6.677 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.688 0.436 5.597 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.610 0.359 4.419 1.00 0.01 C ATOM 1295 C ARG A 83 -9.389 -0.970 3.704 1.00 0.01 C ATOM 1296 O ARG A 83 -8.277 -1.441 3.570 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.287 1.484 3.432 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.713 2.834 4.013 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.708 3.886 2.902 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.373 3.902 2.243 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.222 4.488 1.087 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -9.242 5.048 0.502 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -7.050 4.509 0.515 1.00 0.01 N ATOM 0 H ARG A 83 -7.731 0.135 5.412 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.639 0.449 4.766 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.219 1.493 3.217 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.801 1.308 2.487 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.708 2.757 4.452 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.034 3.130 4.813 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -10.484 3.662 2.170 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -9.934 4.869 3.316 1.00 0.01 H new ATOM 0 HE ARG A 83 -7.576 3.455 2.696 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -10.159 5.029 0.948 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -9.123 5.506 -0.402 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -6.252 4.067 0.971 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -6.932 4.967 -0.389 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.442 -1.586 3.241 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.289 -2.886 2.536 1.00 0.01 C ATOM 1319 C ALA A 84 -9.799 -2.617 1.115 1.00 0.01 C ATOM 1320 O ALA A 84 -10.331 -1.788 0.402 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.637 -3.604 2.471 1.00 0.43 C ATOM 0 H ALA A 84 -11.400 -1.244 3.321 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.575 -3.511 3.073 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.518 -4.556 1.953 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.002 -3.784 3.482 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.353 -2.985 1.931 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.798 -3.334 0.699 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.261 -3.163 -0.677 1.00 0.01 C ATOM 1329 C VAL A 85 -8.970 -4.156 -1.600 1.00 0.01 C ATOM 1330 O VAL A 85 -8.960 -5.349 -1.364 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.753 -3.425 -0.682 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.187 -3.132 -2.071 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.075 -2.506 0.338 1.00 1.12 C ATOM 0 H VAL A 85 -8.322 -4.041 1.260 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.436 -2.145 -1.024 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.567 -4.467 -0.423 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.113 -3.319 -2.073 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.669 -3.778 -2.804 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.374 -2.089 -2.328 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.001 -2.691 0.336 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.265 -1.466 0.073 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.476 -2.706 1.331 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.579 -3.683 -2.649 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.283 -4.603 -3.584 1.00 0.01 C ATOM 1345 C HIS A 86 -9.309 -5.021 -4.679 1.00 0.01 C ATOM 1346 O HIS A 86 -8.592 -4.210 -5.237 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.472 -3.874 -4.214 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.482 -3.549 -3.146 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -12.538 -4.242 -1.948 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -13.480 -2.607 -3.083 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.541 -3.712 -1.220 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -14.147 -2.713 -1.865 1.00 1.71 N ATOM 0 H HIS A 86 -9.620 -2.695 -2.901 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.642 -5.481 -3.047 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.135 -2.959 -4.702 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -11.928 -4.496 -4.984 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -13.712 -1.893 -3.860 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -13.820 -4.054 -0.234 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -14.930 -2.148 -1.536 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.276 -6.290 -4.992 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.353 -6.787 -6.052 1.00 0.01 C ATOM 1362 C LEU A 87 -9.136 -6.909 -7.356 1.00 0.01 C ATOM 1363 O LEU A 87 -10.250 -7.390 -7.377 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.822 -8.174 -5.648 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.562 -8.216 -4.142 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -6.937 -9.559 -3.769 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.606 -7.089 -3.764 1.00 1.34 C ATOM 0 H LEU A 87 -9.854 -7.008 -4.555 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.517 -6.099 -6.178 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.544 -8.943 -5.922 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -6.902 -8.393 -6.190 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.503 -8.093 -3.606 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.752 -9.588 -2.695 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.618 -10.365 -4.042 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -5.995 -9.683 -4.303 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.418 -7.116 -2.691 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.665 -7.215 -4.300 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.050 -6.130 -4.031 1.00 1.34 H new ATOM 1379 N SER A 88 -8.549 -6.505 -8.453 1.00 0.01 N ATOM 1380 CA SER A 88 -9.227 -6.620 -9.776 1.00 0.01 C ATOM 1381 C SER A 88 -8.500 -7.678 -10.602 1.00 0.01 C ATOM 1382 O SER A 88 -7.309 -7.559 -10.826 1.00 0.01 O ATOM 1383 CB SER A 88 -9.164 -5.278 -10.507 1.00 0.81 C ATOM 1384 OG SER A 88 -9.789 -4.280 -9.711 1.00 1.08 O ATOM 0 H SER A 88 -7.616 -6.095 -8.487 1.00 0.01 H new ATOM 0 HA SER A 88 -10.271 -6.901 -9.635 1.00 0.01 H new ATOM 0 HB2 SER A 88 -8.127 -5.006 -10.703 1.00 0.81 H new ATOM 0 HB3 SER A 88 -9.662 -5.353 -11.474 1.00 0.81 H new ATOM 0 HG SER A 88 -9.749 -3.418 -10.176 1.00 1.08 H new ATOM 1390 N SER A 89 -9.177 -8.677 -11.108 1.00 0.01 N ATOM 1391 CA SER A 89 -8.481 -9.680 -11.973 1.00 0.01 C ATOM 1392 C SER A 89 -8.871 -9.347 -13.408 1.00 0.01 C ATOM 1393 O SER A 89 -9.241 -8.225 -13.686 1.00 0.01 O ATOM 1394 CB SER A 89 -8.953 -11.091 -11.625 1.00 0.43 C ATOM 1395 OG SER A 89 -8.600 -11.386 -10.280 1.00 1.26 O ATOM 0 H SER A 89 -10.173 -8.842 -10.962 1.00 0.01 H new ATOM 0 HA SER A 89 -7.401 -9.644 -11.831 1.00 0.01 H new ATOM 0 HB2 SER A 89 -10.032 -11.168 -11.755 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.498 -11.816 -12.300 1.00 0.43 H new ATOM 0 HG SER A 89 -8.903 -12.290 -10.053 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.841 -10.283 -14.325 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.264 -9.967 -15.727 1.00 0.00 C ATOM 1403 C GLY A 90 -8.302 -10.552 -16.763 1.00 0.00 C ATOM 1404 O GLY A 90 -8.724 -11.186 -17.709 1.00 0.01 O ATOM 0 H GLY A 90 -8.544 -11.246 -14.166 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.266 -10.360 -15.900 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.319 -8.886 -15.854 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.018 -10.363 -16.612 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.089 -10.941 -17.622 1.00 0.00 C ATOM 1410 C GLY A 91 -4.625 -10.598 -17.325 1.00 0.00 C ATOM 1411 O GLY A 91 -3.995 -11.243 -16.507 1.00 0.01 O ATOM 0 H GLY A 91 -6.581 -9.845 -15.850 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.209 -12.024 -17.646 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.354 -10.569 -18.612 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.073 -9.606 -17.987 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.632 -9.235 -17.752 1.00 2.31 C ATOM 1417 C GLN A 92 -2.515 -7.769 -17.315 1.00 1.91 C ATOM 1418 O GLN A 92 -2.909 -6.856 -18.011 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.845 -9.480 -19.050 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.357 -9.683 -18.736 1.00 2.86 C ATOM 1421 CD GLN A 92 0.179 -8.470 -17.972 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.482 -8.561 -16.799 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.310 -7.331 -18.593 1.00 4.43 N ATOM 0 H GLN A 92 -4.556 -9.035 -18.681 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.220 -9.850 -16.952 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.239 -10.357 -19.563 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -1.970 -8.633 -19.725 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.221 -10.588 -18.143 1.00 2.86 H new ATOM 0 HG3 GLN A 92 0.204 -9.820 -19.660 1.00 2.86 H new ATOM 0 HE21 GLN A 92 0.056 -7.255 -19.578 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.667 -6.516 -18.094 1.00 4.43 H new ATOM 1432 N ALA A 93 -1.970 -7.556 -16.141 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.823 -6.162 -15.631 1.00 0.01 C ATOM 1434 C ALA A 93 -0.651 -5.486 -16.348 1.00 0.01 C ATOM 1435 O ALA A 93 0.433 -6.029 -16.431 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.542 -6.189 -14.129 1.00 2.99 C ATOM 0 H ALA A 93 -1.623 -8.286 -15.519 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.744 -5.609 -15.818 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.435 -5.169 -13.760 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.369 -6.677 -13.613 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.621 -6.741 -13.941 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.867 -4.307 -16.874 1.00 0.00 N ATOM 1443 CA LYS A 94 0.216 -3.575 -17.604 1.00 0.01 C ATOM 1444 C LYS A 94 0.287 -2.134 -17.093 1.00 0.01 C ATOM 1445 O LYS A 94 -0.725 -1.507 -16.851 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.126 -3.582 -19.096 1.00 2.49 C ATOM 1447 CG LYS A 94 0.965 -2.844 -19.874 1.00 3.43 C ATOM 1448 CD LYS A 94 0.846 -3.175 -21.365 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.496 -2.666 -21.900 1.00 5.23 C ATOM 1450 NZ LYS A 94 -0.458 -2.644 -23.391 1.00 6.36 N ATOM 0 H LYS A 94 -1.758 -3.813 -16.829 1.00 0.00 H new ATOM 0 HA LYS A 94 1.181 -4.055 -17.440 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.213 -4.607 -19.455 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.092 -3.104 -19.261 1.00 2.49 H new ATOM 0 HG2 LYS A 94 0.871 -1.769 -19.721 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.949 -3.134 -19.504 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.666 -2.715 -21.916 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.924 -4.252 -21.516 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -1.305 -3.310 -21.555 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.698 -1.666 -21.515 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -1.368 -2.299 -23.756 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 0.305 -2.013 -23.710 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -0.284 -3.605 -23.748 1.00 6.36 H new ATOM 1464 N ILE A 95 1.480 -1.603 -16.923 1.00 0.00 N ATOM 1465 CA ILE A 95 1.620 -0.193 -16.420 1.00 0.01 C ATOM 1466 C ILE A 95 2.568 0.591 -17.329 1.00 0.01 C ATOM 1467 O ILE A 95 3.551 0.073 -17.824 1.00 0.01 O ATOM 1468 CB ILE A 95 2.183 -0.206 -14.994 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.416 1.232 -14.526 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.507 -0.970 -14.971 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.651 1.246 -13.013 1.00 1.09 C ATOM 0 H ILE A 95 2.360 -2.084 -17.110 1.00 0.00 H new ATOM 0 HA ILE A 95 0.639 0.283 -16.421 1.00 0.01 H new ATOM 0 HB ILE A 95 1.472 -0.696 -14.329 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.276 1.659 -15.042 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.555 1.851 -14.777 1.00 0.30 H new ATOM 0 HG21 ILE A 95 3.905 -0.978 -13.956 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.342 -1.995 -15.304 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.220 -0.483 -15.637 1.00 0.36 H new ATOM 0 HD11 ILE A 95 2.817 2.271 -12.680 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.778 0.836 -12.505 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.526 0.641 -12.775 1.00 1.09 H new ATOM 1483 N GLN A 96 2.298 1.864 -17.503 1.00 0.01 N ATOM 1484 CA GLN A 96 3.191 2.746 -18.319 1.00 0.01 C ATOM 1485 C GLN A 96 3.667 3.878 -17.408 1.00 0.01 C ATOM 1486 O GLN A 96 2.876 4.469 -16.699 1.00 0.00 O ATOM 1487 CB GLN A 96 2.435 3.306 -19.529 1.00 0.53 C ATOM 1488 CG GLN A 96 1.006 3.652 -19.133 1.00 0.82 C ATOM 1489 CD GLN A 96 0.309 4.356 -20.300 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.616 5.488 -20.612 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -0.627 3.731 -20.959 1.00 2.05 N ATOM 0 H GLN A 96 1.484 2.335 -17.108 1.00 0.01 H new ATOM 0 HA GLN A 96 4.041 2.182 -18.703 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.942 4.194 -19.906 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.431 2.574 -20.337 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.463 2.746 -18.864 1.00 0.82 H new ATOM 0 HG3 GLN A 96 1.007 4.296 -18.254 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -0.886 2.780 -20.698 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -1.100 4.194 -21.735 1.00 2.05 H new ATOM 1500 N VAL A 97 4.938 4.195 -17.406 1.00 0.01 N ATOM 1501 CA VAL A 97 5.451 5.297 -16.521 1.00 0.01 C ATOM 1502 C VAL A 97 6.168 6.344 -17.376 1.00 0.01 C ATOM 1503 O VAL A 97 6.760 6.031 -18.390 1.00 0.01 O ATOM 1504 CB VAL A 97 6.429 4.716 -15.500 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.734 3.617 -14.694 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.636 4.123 -16.228 1.00 1.03 C ATOM 0 H VAL A 97 5.648 3.739 -17.979 1.00 0.01 H new ATOM 0 HA VAL A 97 4.616 5.764 -15.999 1.00 0.01 H new ATOM 0 HB VAL A 97 6.761 5.507 -14.828 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.432 3.203 -13.966 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.873 4.037 -14.173 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.401 2.827 -15.367 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.333 3.709 -15.499 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.303 3.333 -16.901 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.134 4.904 -16.803 1.00 1.03 H new ATOM 1516 N PHE A 98 6.094 7.596 -16.977 1.00 0.01 N ATOM 1517 CA PHE A 98 6.743 8.695 -17.771 1.00 0.01 C ATOM 1518 C PHE A 98 7.807 9.422 -16.939 1.00 0.01 C ATOM 1519 O PHE A 98 7.666 9.628 -15.748 1.00 0.01 O ATOM 1520 CB PHE A 98 5.673 9.699 -18.204 1.00 0.25 C ATOM 1521 CG PHE A 98 4.805 9.082 -19.276 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.764 8.217 -18.919 1.00 0.42 C ATOM 1523 CD2 PHE A 98 5.033 9.381 -20.624 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.953 7.651 -19.909 1.00 0.56 C ATOM 1525 CE2 PHE A 98 4.222 8.817 -21.615 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.182 7.953 -21.257 1.00 0.69 C ATOM 0 H PHE A 98 5.611 7.905 -16.133 1.00 0.01 H new ATOM 0 HA PHE A 98 7.227 8.254 -18.642 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.062 9.987 -17.348 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.143 10.608 -18.580 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.587 7.986 -17.879 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.836 10.048 -20.900 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.151 6.982 -19.634 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.399 9.049 -22.655 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.555 7.518 -22.021 1.00 0.69 H new ATOM 1536 N GLU A 99 8.888 9.776 -17.579 1.00 0.01 N ATOM 1537 CA GLU A 99 10.008 10.460 -16.868 1.00 0.01 C ATOM 1538 C GLU A 99 9.596 11.856 -16.375 1.00 0.01 C ATOM 1539 O GLU A 99 10.109 12.329 -15.382 1.00 0.01 O ATOM 1540 CB GLU A 99 11.203 10.590 -17.816 1.00 0.01 C ATOM 1541 CG GLU A 99 12.310 11.420 -17.150 1.00 0.01 C ATOM 1542 CD GLU A 99 13.638 11.176 -17.867 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.617 10.541 -18.908 1.00 0.01 O ATOM 1544 OE2 GLU A 99 14.655 11.626 -17.362 1.00 0.02 O ATOM 0 H GLU A 99 9.045 9.619 -18.575 1.00 0.01 H new ATOM 0 HA GLU A 99 10.275 9.859 -15.998 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.583 9.601 -18.074 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.890 11.064 -18.746 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.055 12.479 -17.186 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.398 11.149 -16.098 1.00 0.01 H new ATOM 1551 N LYS A 100 8.689 12.527 -17.053 1.00 0.01 N ATOM 1552 CA LYS A 100 8.270 13.902 -16.605 1.00 0.01 C ATOM 1553 C LYS A 100 6.787 13.916 -16.213 1.00 0.01 C ATOM 1554 O LYS A 100 6.047 12.986 -16.475 1.00 0.01 O ATOM 1555 CB LYS A 100 8.505 14.911 -17.731 1.00 0.94 C ATOM 1556 CG LYS A 100 9.995 14.952 -18.073 1.00 1.63 C ATOM 1557 CD LYS A 100 10.232 15.945 -19.214 1.00 2.19 C ATOM 1558 CE LYS A 100 11.728 16.247 -19.323 1.00 2.84 C ATOM 1559 NZ LYS A 100 11.952 17.283 -20.370 1.00 3.18 N ATOM 0 H LYS A 100 8.222 12.185 -17.893 1.00 0.01 H new ATOM 0 HA LYS A 100 8.868 14.175 -15.736 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.926 14.632 -18.611 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.163 15.900 -17.425 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.572 15.246 -17.196 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.339 13.959 -18.364 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.864 15.531 -20.153 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.677 16.865 -19.031 1.00 2.19 H new ATOM 0 HE2 LYS A 100 12.110 16.596 -18.364 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.276 15.338 -19.573 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 12.969 17.488 -20.444 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.602 16.933 -21.285 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.442 18.152 -20.113 1.00 3.18 H new ATOM 1573 N GLY A 101 6.364 14.981 -15.583 1.00 0.01 N ATOM 1574 CA GLY A 101 4.946 15.102 -15.137 1.00 0.01 C ATOM 1575 C GLY A 101 4.000 15.189 -16.336 1.00 0.00 C ATOM 1576 O GLY A 101 4.401 15.458 -17.451 1.00 0.01 O ATOM 0 H GLY A 101 6.951 15.784 -15.356 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.680 14.243 -14.521 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.831 15.989 -14.514 1.00 0.01 H new ATOM 1580 N ASP A 102 2.734 14.974 -16.087 1.00 0.01 N ATOM 1581 CA ASP A 102 1.707 15.049 -17.165 1.00 0.00 C ATOM 1582 C ASP A 102 2.044 14.093 -18.308 1.00 0.00 C ATOM 1583 O ASP A 102 1.842 14.391 -19.470 1.00 0.01 O ATOM 1584 CB ASP A 102 1.627 16.481 -17.698 1.00 0.01 C ATOM 1585 CG ASP A 102 0.496 16.579 -18.725 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -0.546 15.989 -18.487 1.00 0.01 O ATOM 1587 OD2 ASP A 102 0.693 17.237 -19.732 1.00 0.01 O ATOM 0 H ASP A 102 2.364 14.746 -15.164 1.00 0.01 H new ATOM 0 HA ASP A 102 0.744 14.757 -16.746 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.450 17.177 -16.878 1.00 0.01 H new ATOM 0 HB3 ASP A 102 2.575 16.764 -18.156 1.00 0.01 H new ATOM 1592 N PHE A 103 2.524 12.927 -17.973 1.00 0.01 N ATOM 1593 CA PHE A 103 2.843 11.910 -19.010 1.00 0.01 C ATOM 1594 C PHE A 103 3.753 12.496 -20.093 1.00 0.00 C ATOM 1595 O PHE A 103 3.445 12.434 -21.266 1.00 0.01 O ATOM 1596 CB PHE A 103 1.539 11.420 -19.650 1.00 0.01 C ATOM 1597 CG PHE A 103 0.471 11.295 -18.590 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.466 10.191 -17.727 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.518 12.280 -18.471 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.526 10.076 -16.745 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.509 12.162 -17.489 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.514 11.060 -16.626 1.00 0.01 C ATOM 0 H PHE A 103 2.710 12.634 -17.014 1.00 0.01 H new ATOM 0 HA PHE A 103 3.366 11.080 -18.535 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.218 12.117 -20.424 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.699 10.457 -20.135 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.226 9.430 -17.819 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.516 13.130 -19.137 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.528 9.226 -16.078 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.271 12.922 -17.397 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.279 10.969 -15.869 1.00 0.01 H new ATOM 1612 N ASN A 104 4.882 13.041 -19.713 1.00 0.00 N ATOM 1613 CA ASN A 104 5.835 13.610 -20.725 1.00 0.01 C ATOM 1614 C ASN A 104 7.222 13.022 -20.468 1.00 0.01 C ATOM 1615 O ASN A 104 7.470 12.437 -19.434 1.00 0.01 O ATOM 1616 CB ASN A 104 5.892 15.134 -20.584 1.00 1.68 C ATOM 1617 CG ASN A 104 4.634 15.754 -21.198 1.00 2.31 C ATOM 1618 OD1 ASN A 104 4.443 15.715 -22.398 1.00 3.15 O ATOM 1619 ND2 ASN A 104 3.762 16.328 -20.418 1.00 2.38 N ATOM 0 H ASN A 104 5.189 13.118 -18.743 1.00 0.00 H new ATOM 0 HA ASN A 104 5.500 13.360 -21.732 1.00 0.01 H new ATOM 0 HB2 ASN A 104 5.969 15.409 -19.532 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.781 15.522 -21.081 1.00 1.68 H new ATOM 0 HD21 ASN A 104 2.919 16.744 -20.814 1.00 2.38 H new ATOM 0 HD22 ASN A 104 3.922 16.361 -19.411 1.00 2.38 H new ATOM 1626 N GLY A 105 8.130 13.162 -21.397 1.00 0.01 N ATOM 1627 CA GLY A 105 9.503 12.602 -21.198 1.00 0.01 C ATOM 1628 C GLY A 105 9.566 11.201 -21.798 1.00 0.01 C ATOM 1629 O GLY A 105 8.699 10.802 -22.550 1.00 0.01 O ATOM 0 H GLY A 105 7.982 13.640 -22.286 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.244 13.247 -21.671 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.744 12.567 -20.135 1.00 0.01 H new ATOM 1633 N GLN A 106 10.569 10.439 -21.468 1.00 0.01 N ATOM 1634 CA GLN A 106 10.658 9.060 -22.017 1.00 0.01 C ATOM 1635 C GLN A 106 9.632 8.190 -21.296 1.00 0.01 C ATOM 1636 O GLN A 106 9.361 8.370 -20.124 1.00 0.01 O ATOM 1637 CB GLN A 106 12.063 8.505 -21.780 1.00 0.01 C ATOM 1638 CG GLN A 106 12.223 7.177 -22.521 1.00 0.01 C ATOM 1639 CD GLN A 106 13.699 6.769 -22.529 1.00 0.01 C ATOM 1640 OE1 GLN A 106 14.365 6.843 -21.514 1.00 0.01 O ATOM 1641 NE2 GLN A 106 14.238 6.338 -23.637 1.00 0.01 N ATOM 0 H GLN A 106 11.329 10.710 -20.844 1.00 0.01 H new ATOM 0 HA GLN A 106 10.457 9.066 -23.088 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.810 9.219 -22.127 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.232 8.360 -20.713 1.00 0.01 H new ATOM 0 HG2 GLN A 106 11.624 6.405 -22.038 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.856 7.272 -23.543 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.677 6.277 -24.487 1.00 0.01 H new ATOM 0 HE22 GLN A 106 15.220 6.062 -23.653 1.00 0.01 H new ATOM 1650 N MET A 107 9.043 7.259 -22.004 1.00 0.01 N ATOM 1651 CA MET A 107 8.007 6.370 -21.391 1.00 0.01 C ATOM 1652 C MET A 107 8.494 4.924 -21.403 1.00 0.01 C ATOM 1653 O MET A 107 9.106 4.467 -22.348 1.00 0.01 O ATOM 1654 CB MET A 107 6.715 6.460 -22.206 1.00 0.00 C ATOM 1655 CG MET A 107 5.571 5.797 -21.433 1.00 0.01 C ATOM 1656 SD MET A 107 4.199 5.461 -22.563 1.00 0.01 S ATOM 1657 CE MET A 107 4.694 3.786 -23.032 1.00 0.01 C ATOM 0 H MET A 107 9.237 7.075 -22.988 1.00 0.01 H new ATOM 0 HA MET A 107 7.826 6.689 -20.364 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.473 7.503 -22.409 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.847 5.970 -23.171 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.916 4.870 -20.976 1.00 0.01 H new ATOM 0 HG3 MET A 107 5.239 6.447 -20.624 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.342 3.571 -24.041 1.00 0.01 H new ATOM 0 HE2 MET A 107 5.781 3.706 -23.003 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.259 3.069 -22.336 1.00 0.01 H new ATOM 1667 N TYR A 108 8.193 4.197 -20.360 1.00 0.01 N ATOM 1668 CA TYR A 108 8.588 2.757 -20.271 1.00 0.00 C ATOM 1669 C TYR A 108 7.354 1.951 -19.844 1.00 0.01 C ATOM 1670 O TYR A 108 6.603 2.352 -18.975 1.00 0.01 O ATOM 1671 CB TYR A 108 9.695 2.588 -19.230 1.00 0.54 C ATOM 1672 CG TYR A 108 11.001 3.095 -19.795 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.719 2.313 -20.707 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.496 4.347 -19.405 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.931 2.781 -21.231 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.707 4.816 -19.928 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.425 4.032 -20.841 1.00 1.82 C ATOM 1678 OH TYR A 108 14.618 4.493 -21.356 1.00 2.48 O ATOM 0 H TYR A 108 7.680 4.546 -19.550 1.00 0.01 H new ATOM 0 HA TYR A 108 8.957 2.407 -21.235 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.442 3.136 -18.323 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.790 1.538 -18.952 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.338 1.348 -21.007 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.943 4.950 -18.701 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.484 2.177 -21.935 1.00 1.76 H new ATOM 0 HE2 TYR A 108 13.088 5.781 -19.628 1.00 1.51 H new ATOM 0 HH TYR A 108 14.776 5.409 -21.046 1.00 2.48 H new ATOM 1688 N GLU A 109 7.126 0.828 -20.480 1.00 0.01 N ATOM 1689 CA GLU A 109 5.927 -0.021 -20.168 1.00 0.01 C ATOM 1690 C GLU A 109 6.370 -1.409 -19.711 1.00 0.01 C ATOM 1691 O GLU A 109 7.248 -2.012 -20.294 1.00 0.01 O ATOM 1692 CB GLU A 109 5.084 -0.134 -21.442 1.00 0.01 C ATOM 1693 CG GLU A 109 3.818 -0.957 -21.160 1.00 0.01 C ATOM 1694 CD GLU A 109 4.151 -2.452 -21.189 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.335 -2.975 -22.275 1.00 0.00 O ATOM 1696 OE2 GLU A 109 4.214 -3.046 -20.124 1.00 0.00 O ATOM 0 H GLU A 109 7.728 0.456 -21.214 1.00 0.01 H new ATOM 0 HA GLU A 109 5.344 0.431 -19.366 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.811 0.860 -21.797 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.666 -0.606 -22.233 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.407 -0.686 -20.188 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.054 -0.731 -21.904 1.00 0.01 H new ATOM 1703 N THR A 110 5.773 -1.927 -18.661 1.00 0.01 N ATOM 1704 CA THR A 110 6.178 -3.277 -18.175 1.00 0.00 C ATOM 1705 C THR A 110 4.994 -4.007 -17.531 1.00 0.01 C ATOM 1706 O THR A 110 4.073 -3.412 -17.003 1.00 0.01 O ATOM 1707 CB THR A 110 7.300 -3.134 -17.144 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.585 -4.406 -16.581 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.863 -2.169 -16.042 1.00 1.69 C ATOM 0 H THR A 110 5.031 -1.475 -18.128 1.00 0.01 H new ATOM 0 HA THR A 110 6.524 -3.859 -19.029 1.00 0.00 H new ATOM 0 HB THR A 110 8.194 -2.743 -17.629 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.304 -4.318 -15.921 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.663 -2.068 -15.308 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.645 -1.194 -16.478 1.00 1.69 H new ATOM 0 HG23 THR A 110 5.969 -2.556 -15.553 1.00 1.69 H new ATOM 1717 N THR A 111 5.032 -5.314 -17.596 1.00 0.00 N ATOM 1718 CA THR A 111 3.943 -6.161 -17.018 1.00 0.01 C ATOM 1719 C THR A 111 4.463 -6.918 -15.789 1.00 0.01 C ATOM 1720 O THR A 111 3.805 -7.810 -15.289 1.00 0.01 O ATOM 1721 CB THR A 111 3.482 -7.169 -18.073 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.562 -8.032 -18.403 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.015 -6.426 -19.328 1.00 0.01 C ATOM 0 H THR A 111 5.788 -5.841 -18.034 1.00 0.00 H new ATOM 0 HA THR A 111 3.110 -5.524 -16.719 1.00 0.01 H new ATOM 0 HB THR A 111 2.654 -7.757 -17.676 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.269 -8.680 -19.077 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.688 -7.147 -20.077 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.186 -5.766 -19.073 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.839 -5.835 -19.729 1.00 0.01 H new ATOM 1731 N GLU A 112 5.647 -6.597 -15.318 1.00 0.01 N ATOM 1732 CA GLU A 112 6.226 -7.331 -14.140 1.00 0.01 C ATOM 1733 C GLU A 112 6.525 -6.376 -12.979 1.00 0.01 C ATOM 1734 O GLU A 112 6.619 -5.176 -13.149 1.00 0.01 O ATOM 1735 CB GLU A 112 7.529 -8.005 -14.573 1.00 0.85 C ATOM 1736 CG GLU A 112 7.215 -9.174 -15.510 1.00 1.61 C ATOM 1737 CD GLU A 112 8.524 -9.804 -15.988 1.00 2.51 C ATOM 1738 OE1 GLU A 112 9.230 -9.156 -16.744 1.00 3.21 O ATOM 1739 OE2 GLU A 112 8.801 -10.923 -15.586 1.00 3.07 O ATOM 0 H GLU A 112 6.239 -5.858 -15.698 1.00 0.01 H new ATOM 0 HA GLU A 112 5.498 -8.068 -13.800 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.173 -7.284 -15.077 1.00 0.85 H new ATOM 0 HB3 GLU A 112 8.073 -8.362 -13.699 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.608 -9.917 -14.993 1.00 1.61 H new ATOM 0 HG3 GLU A 112 6.633 -8.825 -16.363 1.00 1.61 H new ATOM 1746 N ASP A 113 6.708 -6.918 -11.804 1.00 0.01 N ATOM 1747 CA ASP A 113 7.040 -6.073 -10.619 1.00 0.01 C ATOM 1748 C ASP A 113 8.431 -5.477 -10.832 1.00 0.00 C ATOM 1749 O ASP A 113 9.252 -6.037 -11.532 1.00 0.01 O ATOM 1750 CB ASP A 113 7.059 -6.945 -9.362 1.00 0.01 C ATOM 1751 CG ASP A 113 5.637 -7.397 -9.033 1.00 0.01 C ATOM 1752 OD1 ASP A 113 5.044 -8.067 -9.861 1.00 0.00 O ATOM 1753 OD2 ASP A 113 5.164 -7.066 -7.959 1.00 0.00 O ATOM 0 H ASP A 113 6.641 -7.918 -11.613 1.00 0.01 H new ATOM 0 HA ASP A 113 6.298 -5.283 -10.501 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.701 -7.812 -9.518 1.00 0.01 H new ATOM 0 HB3 ASP A 113 7.477 -6.386 -8.525 1.00 0.01 H new ATOM 1758 N CYS A 114 8.711 -4.360 -10.202 1.00 0.01 N ATOM 1759 CA CYS A 114 10.065 -3.730 -10.321 1.00 0.01 C ATOM 1760 C CYS A 114 10.641 -3.519 -8.903 1.00 0.01 C ATOM 1761 O CYS A 114 10.113 -2.712 -8.162 1.00 0.01 O ATOM 1762 CB CYS A 114 9.920 -2.365 -10.987 1.00 0.01 C ATOM 1763 SG CYS A 114 11.517 -1.511 -10.969 1.00 0.01 S ATOM 0 H CYS A 114 8.055 -3.855 -9.607 1.00 0.01 H new ATOM 0 HA CYS A 114 10.722 -4.371 -10.909 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.571 -2.484 -12.013 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.172 -1.770 -10.463 1.00 0.01 H new ATOM 0 HG CYS A 114 12.471 -2.378 -10.797 1.00 0.01 H new ATOM 1769 N PRO A 115 11.710 -4.195 -8.506 1.00 0.01 N ATOM 1770 CA PRO A 115 12.275 -3.971 -7.145 1.00 0.01 C ATOM 1771 C PRO A 115 13.045 -2.646 -7.073 1.00 0.01 C ATOM 1772 O PRO A 115 13.140 -2.033 -6.027 1.00 0.01 O ATOM 1773 CB PRO A 115 13.209 -5.181 -6.975 1.00 0.01 C ATOM 1774 CG PRO A 115 13.482 -5.764 -8.373 1.00 0.01 C ATOM 1775 CD PRO A 115 12.417 -5.211 -9.343 1.00 0.01 C ATOM 0 HA PRO A 115 11.519 -3.895 -6.363 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.142 -4.880 -6.498 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.749 -5.931 -6.331 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.482 -5.490 -8.710 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.442 -6.853 -8.345 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.869 -4.764 -10.228 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.740 -5.992 -9.690 1.00 0.01 H new ATOM 1783 N SER A 116 13.608 -2.210 -8.169 1.00 0.01 N ATOM 1784 CA SER A 116 14.383 -0.931 -8.161 1.00 0.02 C ATOM 1785 C SER A 116 14.140 -0.183 -9.472 1.00 0.01 C ATOM 1786 O SER A 116 14.563 -0.600 -10.534 1.00 0.00 O ATOM 1787 CB SER A 116 15.870 -1.250 -8.011 1.00 0.01 C ATOM 1788 OG SER A 116 16.631 -0.088 -8.307 1.00 0.01 O ATOM 0 H SER A 116 13.565 -2.684 -9.071 1.00 0.01 H new ATOM 0 HA SER A 116 14.061 -0.305 -7.329 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.081 -1.588 -6.996 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.149 -2.062 -8.682 1.00 0.01 H new ATOM 0 HG SER A 116 17.585 -0.289 -8.210 1.00 0.01 H new ATOM 1794 N ILE A 117 13.430 0.910 -9.391 1.00 0.01 N ATOM 1795 CA ILE A 117 13.108 1.706 -10.607 1.00 0.01 C ATOM 1796 C ILE A 117 14.393 2.222 -11.254 1.00 0.01 C ATOM 1797 O ILE A 117 14.505 2.266 -12.461 1.00 0.00 O ATOM 1798 CB ILE A 117 12.228 2.896 -10.199 1.00 0.57 C ATOM 1799 CG1 ILE A 117 10.846 2.387 -9.788 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.076 3.873 -11.372 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.074 3.499 -9.066 1.00 1.83 C ATOM 0 H ILE A 117 13.055 1.289 -8.521 1.00 0.01 H new ATOM 0 HA ILE A 117 12.581 1.077 -11.325 1.00 0.01 H new ATOM 0 HB ILE A 117 12.700 3.413 -9.363 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.292 2.060 -10.668 1.00 1.44 H new ATOM 0 HG13 ILE A 117 10.947 1.520 -9.135 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.450 4.712 -11.068 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.058 4.242 -11.668 1.00 0.93 H new ATOM 0 HG23 ILE A 117 11.612 3.360 -12.215 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.090 3.130 -8.776 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.624 3.805 -8.176 1.00 1.83 H new ATOM 0 HD13 ILE A 117 9.959 4.354 -9.733 1.00 1.83 H new ATOM 1813 N MET A 118 15.344 2.641 -10.466 1.00 0.02 N ATOM 1814 CA MET A 118 16.597 3.184 -11.057 1.00 0.01 C ATOM 1815 C MET A 118 17.387 2.074 -11.744 1.00 0.01 C ATOM 1816 O MET A 118 17.989 2.288 -12.772 1.00 0.02 O ATOM 1817 CB MET A 118 17.457 3.837 -9.971 1.00 0.24 C ATOM 1818 CG MET A 118 18.767 4.333 -10.583 1.00 0.63 C ATOM 1819 SD MET A 118 19.592 5.444 -9.418 1.00 1.20 S ATOM 1820 CE MET A 118 21.091 5.722 -10.392 1.00 1.34 C ATOM 0 H MET A 118 15.308 2.631 -9.447 1.00 0.02 H new ATOM 0 HA MET A 118 16.329 3.937 -11.798 1.00 0.01 H new ATOM 0 HB2 MET A 118 16.918 4.669 -9.517 1.00 0.24 H new ATOM 0 HB3 MET A 118 17.664 3.120 -9.177 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.415 3.488 -10.817 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.569 4.853 -11.520 1.00 0.63 H new ATOM 0 HE1 MET A 118 21.757 6.394 -9.851 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.595 4.771 -10.563 1.00 1.34 H new ATOM 0 HE3 MET A 118 20.825 6.169 -11.350 1.00 1.34 H new ATOM 1830 N GLU A 119 17.407 0.892 -11.203 1.00 0.01 N ATOM 1831 CA GLU A 119 18.183 -0.191 -11.863 1.00 0.02 C ATOM 1832 C GLU A 119 17.490 -0.612 -13.161 1.00 0.02 C ATOM 1833 O GLU A 119 18.133 -0.933 -14.140 1.00 0.01 O ATOM 1834 CB GLU A 119 18.272 -1.395 -10.922 1.00 0.30 C ATOM 1835 CG GLU A 119 19.226 -2.437 -11.506 1.00 0.99 C ATOM 1836 CD GLU A 119 19.240 -3.674 -10.607 1.00 1.69 C ATOM 1837 OE1 GLU A 119 18.172 -4.200 -10.341 1.00 2.07 O ATOM 1838 OE2 GLU A 119 20.318 -4.073 -10.200 1.00 2.11 O ATOM 0 H GLU A 119 16.926 0.629 -10.343 1.00 0.01 H new ATOM 0 HA GLU A 119 19.184 0.173 -12.093 1.00 0.02 H new ATOM 0 HB2 GLU A 119 18.623 -1.076 -9.941 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.283 -1.832 -10.781 1.00 0.30 H new ATOM 0 HG2 GLU A 119 18.912 -2.710 -12.513 1.00 0.99 H new ATOM 0 HG3 GLU A 119 20.230 -2.021 -11.587 1.00 0.99 H new ATOM 1845 N GLN A 120 16.188 -0.676 -13.154 1.00 0.00 N ATOM 1846 CA GLN A 120 15.456 -1.149 -14.367 1.00 0.01 C ATOM 1847 C GLN A 120 15.328 -0.057 -15.436 1.00 0.01 C ATOM 1848 O GLN A 120 15.531 -0.309 -16.608 1.00 0.01 O ATOM 1849 CB GLN A 120 14.056 -1.604 -13.951 1.00 0.52 C ATOM 1850 CG GLN A 120 13.304 -2.132 -15.173 1.00 1.07 C ATOM 1851 CD GLN A 120 11.999 -2.791 -14.723 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.260 -3.320 -15.530 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.680 -2.781 -13.457 1.00 2.08 N ATOM 0 H GLN A 120 15.597 -0.422 -12.362 1.00 0.00 H new ATOM 0 HA GLN A 120 16.027 -1.970 -14.801 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.126 -2.382 -13.191 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.509 -0.772 -13.506 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.092 -1.316 -15.864 1.00 1.07 H new ATOM 0 HG3 GLN A 120 13.921 -2.852 -15.710 1.00 1.07 H new ATOM 0 HE21 GLN A 120 12.299 -2.337 -12.779 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.812 -3.217 -13.146 1.00 2.08 H new ATOM 1862 N PHE A 121 14.923 1.129 -15.052 1.00 0.02 N ATOM 1863 CA PHE A 121 14.693 2.217 -16.063 1.00 0.01 C ATOM 1864 C PHE A 121 15.723 3.342 -15.961 1.00 0.01 C ATOM 1865 O PHE A 121 15.668 4.303 -16.703 1.00 0.01 O ATOM 1866 CB PHE A 121 13.291 2.789 -15.853 1.00 0.01 C ATOM 1867 CG PHE A 121 12.306 1.651 -15.747 1.00 0.01 C ATOM 1868 CD1 PHE A 121 11.714 1.130 -16.900 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.990 1.117 -14.495 1.00 0.01 C ATOM 1870 CE1 PHE A 121 10.803 0.071 -16.802 1.00 0.01 C ATOM 1871 CE2 PHE A 121 11.079 0.058 -14.394 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.487 -0.465 -15.549 1.00 0.01 C ATOM 0 H PHE A 121 14.741 1.394 -14.084 1.00 0.02 H new ATOM 0 HA PHE A 121 14.795 1.780 -17.056 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.264 3.396 -14.948 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.023 3.443 -16.683 1.00 0.01 H new ATOM 0 HD1 PHE A 121 11.959 1.544 -17.867 1.00 0.01 H new ATOM 0 HD2 PHE A 121 12.449 1.521 -13.605 1.00 0.01 H new ATOM 0 HE1 PHE A 121 10.345 -0.332 -17.693 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.834 -0.354 -13.426 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.786 -1.283 -15.473 1.00 0.01 H new ATOM 1882 N HIS A 122 16.660 3.250 -15.061 1.00 0.01 N ATOM 1883 CA HIS A 122 17.674 4.333 -14.937 1.00 0.01 C ATOM 1884 C HIS A 122 16.976 5.649 -14.597 1.00 0.01 C ATOM 1885 O HIS A 122 17.407 6.712 -14.998 1.00 0.02 O ATOM 1886 CB HIS A 122 18.443 4.458 -16.259 1.00 0.01 C ATOM 1887 CG HIS A 122 18.648 3.088 -16.848 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.255 2.772 -18.141 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.200 1.941 -16.335 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.572 1.483 -18.358 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.150 0.929 -17.291 1.00 0.01 N ATOM 0 H HIS A 122 16.768 2.474 -14.407 1.00 0.01 H new ATOM 0 HA HIS A 122 18.377 4.095 -14.139 1.00 0.01 H new ATOM 0 HB2 HIS A 122 17.890 5.087 -16.956 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.405 4.941 -16.089 1.00 0.01 H new ATOM 0 HD2 HIS A 122 19.611 1.839 -15.341 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.382 0.960 -19.284 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.484 -0.030 -17.196 1.00 0.01 H new ATOM 1899 N LEU A 123 15.896 5.583 -13.848 1.00 0.01 N ATOM 1900 CA LEU A 123 15.152 6.826 -13.459 1.00 0.01 C ATOM 1901 C LEU A 123 15.277 7.021 -11.946 1.00 0.02 C ATOM 1902 O LEU A 123 15.135 6.088 -11.178 1.00 0.01 O ATOM 1903 CB LEU A 123 13.666 6.672 -13.844 1.00 0.01 C ATOM 1904 CG LEU A 123 13.432 7.136 -15.299 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.179 6.460 -15.871 1.00 0.01 C ATOM 1906 CD2 LEU A 123 13.234 8.660 -15.338 1.00 0.01 C ATOM 0 H LEU A 123 15.497 4.716 -13.488 1.00 0.01 H new ATOM 0 HA LEU A 123 15.568 7.690 -13.977 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.362 5.631 -13.735 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.046 7.258 -13.165 1.00 0.01 H new ATOM 0 HG LEU A 123 14.302 6.861 -15.895 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.022 6.793 -16.897 1.00 0.01 H new ATOM 0 HD12 LEU A 123 12.311 5.378 -15.857 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.313 6.728 -15.266 1.00 0.01 H new ATOM 0 HD21 LEU A 123 13.070 8.979 -16.367 1.00 0.01 H new ATOM 0 HD22 LEU A 123 12.369 8.930 -14.732 1.00 0.01 H new ATOM 0 HD23 LEU A 123 14.122 9.153 -14.943 1.00 0.01 H new ATOM 1918 N ARG A 124 15.550 8.223 -11.513 1.00 0.01 N ATOM 1919 CA ARG A 124 15.692 8.480 -10.051 1.00 0.00 C ATOM 1920 C ARG A 124 14.338 8.850 -9.444 1.00 0.01 C ATOM 1921 O ARG A 124 14.130 8.742 -8.251 1.00 0.01 O ATOM 1922 CB ARG A 124 16.670 9.639 -9.831 1.00 1.67 C ATOM 1923 CG ARG A 124 16.284 10.814 -10.735 1.00 1.98 C ATOM 1924 CD ARG A 124 16.976 12.087 -10.244 1.00 2.92 C ATOM 1925 NE ARG A 124 18.452 11.878 -10.237 1.00 3.54 N ATOM 1926 CZ ARG A 124 19.253 12.902 -10.140 1.00 4.57 C ATOM 1927 NH1 ARG A 124 18.762 14.107 -10.046 1.00 5.25 N ATOM 1928 NH2 ARG A 124 20.545 12.724 -10.130 1.00 5.32 N ATOM 0 H ARG A 124 15.681 9.039 -12.110 1.00 0.01 H new ATOM 0 HA ARG A 124 16.067 7.577 -9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.653 9.950 -8.786 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.688 9.316 -10.051 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.574 10.604 -11.765 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.203 10.950 -10.730 1.00 1.98 H new ATOM 0 HD2 ARG A 124 16.720 12.926 -10.891 1.00 2.92 H new ATOM 0 HD3 ARG A 124 16.629 12.339 -9.242 1.00 2.92 H new ATOM 0 HE ARG A 124 18.835 10.935 -10.308 1.00 3.54 H new ATOM 0 HH11 ARG A 124 17.752 14.248 -10.048 1.00 5.25 H new ATOM 0 HH12 ARG A 124 19.388 14.908 -9.970 1.00 5.25 H new ATOM 0 HH21 ARG A 124 20.931 11.782 -10.198 1.00 5.32 H new ATOM 0 HH22 ARG A 124 21.170 13.527 -10.054 1.00 5.32 H new ATOM 1942 N GLU A 125 13.415 9.307 -10.254 1.00 0.01 N ATOM 1943 CA GLU A 125 12.076 9.710 -9.723 1.00 0.01 C ATOM 1944 C GLU A 125 11.003 9.506 -10.798 1.00 0.01 C ATOM 1945 O GLU A 125 11.301 9.365 -11.967 1.00 0.01 O ATOM 1946 CB GLU A 125 12.106 11.191 -9.335 1.00 0.01 C ATOM 1947 CG GLU A 125 13.065 11.396 -8.157 1.00 0.01 C ATOM 1948 CD GLU A 125 12.808 12.762 -7.518 1.00 0.02 C ATOM 1949 OE1 GLU A 125 13.028 13.759 -8.188 1.00 0.01 O ATOM 1950 OE2 GLU A 125 12.398 12.788 -6.368 1.00 0.02 O ATOM 0 H GLU A 125 13.531 9.418 -11.261 1.00 0.01 H new ATOM 0 HA GLU A 125 11.843 9.098 -8.852 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.425 11.793 -10.185 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.105 11.527 -9.064 1.00 0.01 H new ATOM 0 HG2 GLU A 125 12.925 10.606 -7.419 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.098 11.332 -8.500 1.00 0.01 H new ATOM 1957 N ILE A 126 9.751 9.540 -10.408 1.00 0.01 N ATOM 1958 CA ILE A 126 8.633 9.403 -11.397 1.00 0.01 C ATOM 1959 C ILE A 126 7.634 10.527 -11.110 1.00 0.01 C ATOM 1960 O ILE A 126 7.238 10.733 -9.978 1.00 0.01 O ATOM 1961 CB ILE A 126 7.946 8.035 -11.247 1.00 1.33 C ATOM 1962 CG1 ILE A 126 8.990 6.925 -11.483 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.809 7.908 -12.281 1.00 2.17 C ATOM 1964 CD1 ILE A 126 8.297 5.582 -11.755 1.00 1.70 C ATOM 0 H ILE A 126 9.453 9.658 -9.440 1.00 0.01 H new ATOM 0 HA ILE A 126 9.014 9.472 -12.416 1.00 0.01 H new ATOM 0 HB ILE A 126 7.526 7.940 -10.246 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.626 7.190 -12.327 1.00 1.49 H new ATOM 0 HG13 ILE A 126 9.638 6.836 -10.611 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.325 6.938 -12.172 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.078 8.699 -12.117 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.220 7.997 -13.287 1.00 2.17 H new ATOM 0 HD11 ILE A 126 9.050 4.811 -11.919 1.00 1.70 H new ATOM 0 HD12 ILE A 126 7.680 5.311 -10.898 1.00 1.70 H new ATOM 0 HD13 ILE A 126 7.668 5.670 -12.641 1.00 1.70 H new ATOM 1976 N HIS A 127 7.260 11.283 -12.117 1.00 0.01 N ATOM 1977 CA HIS A 127 6.323 12.436 -11.891 1.00 0.01 C ATOM 1978 C HIS A 127 4.930 12.173 -12.469 1.00 0.01 C ATOM 1979 O HIS A 127 3.989 12.872 -12.165 1.00 0.01 O ATOM 1980 CB HIS A 127 6.908 13.699 -12.527 1.00 0.02 C ATOM 1981 CG HIS A 127 8.383 13.769 -12.239 1.00 0.01 C ATOM 1982 ND1 HIS A 127 8.945 14.811 -11.520 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.422 12.934 -12.568 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.269 14.578 -11.439 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.613 13.447 -12.061 1.00 0.02 N ATOM 0 H HIS A 127 7.561 11.153 -13.083 1.00 0.01 H new ATOM 0 HA HIS A 127 6.214 12.566 -10.814 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.737 13.690 -13.603 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.407 14.583 -12.132 1.00 0.02 H new ATOM 0 HD2 HIS A 127 9.330 12.019 -13.134 1.00 0.01 H new ATOM 0 HE1 HIS A 127 10.968 15.227 -10.932 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.547 13.046 -12.146 1.00 0.02 H new ATOM 1993 N SER A 128 4.778 11.156 -13.274 1.00 0.01 N ATOM 1994 CA SER A 128 3.433 10.839 -13.836 1.00 0.01 C ATOM 1995 C SER A 128 3.428 9.378 -14.293 1.00 0.01 C ATOM 1996 O SER A 128 4.459 8.823 -14.626 1.00 0.01 O ATOM 1997 CB SER A 128 3.148 11.748 -15.034 1.00 0.01 C ATOM 1998 OG SER A 128 2.063 11.215 -15.780 1.00 0.01 O ATOM 0 H SER A 128 5.528 10.530 -13.567 1.00 0.01 H new ATOM 0 HA SER A 128 2.666 10.998 -13.078 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.909 12.755 -14.692 1.00 0.01 H new ATOM 0 HB3 SER A 128 4.034 11.827 -15.664 1.00 0.01 H new ATOM 0 HG SER A 128 2.405 10.781 -16.589 1.00 0.01 H new ATOM 2004 N CYS A 129 2.286 8.742 -14.301 1.00 0.01 N ATOM 2005 CA CYS A 129 2.237 7.316 -14.724 1.00 0.01 C ATOM 2006 C CYS A 129 0.792 6.923 -15.045 1.00 0.00 C ATOM 2007 O CYS A 129 -0.148 7.388 -14.427 1.00 0.01 O ATOM 2008 CB CYS A 129 2.772 6.428 -13.598 1.00 0.69 C ATOM 2009 SG CYS A 129 1.592 6.420 -12.228 1.00 1.22 S ATOM 0 H CYS A 129 1.390 9.148 -14.034 1.00 0.01 H new ATOM 0 HA CYS A 129 2.853 7.183 -15.613 1.00 0.01 H new ATOM 0 HB2 CYS A 129 2.929 5.413 -13.963 1.00 0.69 H new ATOM 0 HB3 CYS A 129 3.739 6.797 -13.257 1.00 0.69 H new ATOM 0 HG CYS A 129 0.437 6.845 -12.647 1.00 1.22 H new ATOM 2015 N LYS A 130 0.596 6.057 -16.011 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.795 5.629 -16.374 1.00 0.01 C ATOM 2017 C LYS A 130 -0.932 4.126 -16.098 1.00 0.01 C ATOM 2018 O LYS A 130 -0.478 3.282 -16.844 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.041 5.933 -17.876 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.139 6.994 -18.043 1.00 0.80 C ATOM 2021 CD LYS A 130 -2.411 7.212 -19.534 1.00 0.29 C ATOM 2022 CE LYS A 130 -3.320 8.429 -19.718 1.00 0.33 C ATOM 2023 NZ LYS A 130 -3.880 8.435 -21.101 1.00 1.41 N ATOM 0 H LYS A 130 1.338 5.628 -16.564 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.533 6.170 -15.781 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -0.117 6.283 -18.337 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -1.330 5.019 -18.395 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -3.050 6.673 -17.539 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -1.830 7.930 -17.578 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -1.472 7.363 -20.067 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.881 6.326 -19.961 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -4.129 8.404 -18.988 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -2.757 9.345 -19.539 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -4.497 9.263 -21.222 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -3.102 8.479 -21.790 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -4.431 7.567 -21.256 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.579 3.815 -15.015 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.821 2.404 -14.609 1.00 0.01 C ATOM 2039 C VAL A 131 -3.320 2.151 -14.694 1.00 0.01 C ATOM 2040 O VAL A 131 -4.100 2.873 -14.103 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.335 2.187 -13.171 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -1.963 3.226 -12.232 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.734 0.784 -12.709 1.00 0.01 C ATOM 0 H VAL A 131 -1.964 4.505 -14.370 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.280 1.718 -15.261 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.251 2.295 -13.145 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.608 3.059 -11.215 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -1.679 4.227 -12.555 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.049 3.131 -12.258 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.390 0.626 -11.687 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.819 0.683 -12.747 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -1.278 0.042 -13.364 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.076 -1.710 -7.721 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.607 -1.375 -7.839 1.00 0.01 C ATOM 2107 C TRP A 136 -0.131 -0.624 -6.589 1.00 0.01 C ATOM 2108 O TRP A 136 -0.778 0.284 -6.106 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.354 -0.533 -9.092 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.408 -1.409 -10.301 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.546 -1.874 -10.851 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.685 -1.926 -11.113 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.229 -2.650 -11.953 1.00 0.00 N ATOM 2114 CE2 TRP A 136 0.135 -2.713 -12.154 1.00 0.01 C ATOM 2115 CE3 TRP A 136 2.083 -1.794 -11.049 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.945 -3.345 -13.098 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.900 -2.430 -11.998 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.332 -3.204 -13.020 1.00 0.01 C ATOM 0 HA TRP A 136 -0.043 -2.304 -7.923 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.101 0.257 -9.169 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.619 -0.046 -9.026 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.544 -1.674 -10.491 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -1.918 -3.117 -12.543 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.531 -1.200 -10.266 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.502 -3.939 -13.884 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.973 -2.322 -11.940 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.967 -3.691 -13.746 1.00 0.01 H new ATOM 2129 N ILE A 137 1.021 -0.994 -6.070 1.00 0.01 N ATOM 2130 CA ILE A 137 1.582 -0.309 -4.861 1.00 0.00 C ATOM 2131 C ILE A 137 2.936 0.288 -5.233 1.00 0.01 C ATOM 2132 O ILE A 137 3.745 -0.346 -5.875 1.00 0.01 O ATOM 2133 CB ILE A 137 1.812 -1.324 -3.737 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.551 -2.149 -3.501 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.177 -0.580 -2.450 1.00 1.37 C ATOM 2136 CD1 ILE A 137 0.902 -3.360 -2.634 1.00 1.69 C ATOM 0 H ILE A 137 1.600 -1.749 -6.438 1.00 0.01 H new ATOM 0 HA ILE A 137 0.883 0.458 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 137 2.624 -1.992 -4.025 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.209 -1.542 -3.010 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.132 -2.476 -4.452 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.341 -1.300 -1.648 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.086 -0.001 -2.610 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.363 0.091 -2.174 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.006 -3.955 -2.460 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.649 -3.969 -3.144 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.302 -3.020 -1.679 1.00 1.69 H new ATOM 2148 N PHE A 138 3.195 1.491 -4.795 1.00 0.01 N ATOM 2149 CA PHE A 138 4.510 2.158 -5.068 1.00 0.01 C ATOM 2150 C PHE A 138 5.248 2.257 -3.720 1.00 0.01 C ATOM 2151 O PHE A 138 4.635 2.504 -2.704 1.00 0.00 O ATOM 2152 CB PHE A 138 4.254 3.570 -5.642 1.00 1.11 C ATOM 2153 CG PHE A 138 4.143 3.562 -7.164 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.738 2.414 -7.875 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.447 4.734 -7.871 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.645 2.450 -9.273 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.351 4.763 -9.268 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.953 3.622 -9.968 1.00 2.49 C ATOM 0 H PHE A 138 2.541 2.053 -4.249 1.00 0.01 H new ATOM 0 HA PHE A 138 5.103 1.597 -5.790 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.336 3.973 -5.215 1.00 1.11 H new ATOM 0 HB3 PHE A 138 5.064 4.235 -5.342 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.499 1.506 -7.342 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.757 5.619 -7.335 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.334 1.569 -9.815 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.585 5.670 -9.805 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.883 3.646 -11.045 1.00 2.49 H new ATOM 2168 N TYR A 139 6.553 2.068 -3.698 1.00 0.01 N ATOM 2169 CA TYR A 139 7.321 2.157 -2.407 1.00 0.01 C ATOM 2170 C TYR A 139 8.429 3.203 -2.537 1.00 0.01 C ATOM 2171 O TYR A 139 9.011 3.388 -3.595 1.00 0.01 O ATOM 2172 CB TYR A 139 7.948 0.802 -2.076 1.00 0.01 C ATOM 2173 CG TYR A 139 6.877 -0.263 -2.060 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.349 -0.724 -3.266 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.417 -0.792 -0.847 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.360 -1.713 -3.268 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.427 -1.782 -0.846 1.00 0.02 C ATOM 2178 CZ TYR A 139 4.899 -2.242 -2.057 1.00 0.02 C ATOM 2179 OH TYR A 139 3.921 -3.215 -2.057 1.00 0.00 O ATOM 0 H TYR A 139 7.119 1.856 -4.520 1.00 0.01 H new ATOM 0 HA TYR A 139 6.636 2.444 -1.609 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.711 0.553 -2.814 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.444 0.847 -1.107 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.705 -0.316 -4.201 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.826 -0.436 0.087 1.00 0.01 H new ATOM 0 HE1 TYR A 139 4.952 -2.068 -4.203 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.071 -2.190 0.089 1.00 0.02 H new ATOM 0 HH TYR A 139 3.717 -3.473 -1.134 1.00 0.00 H new ATOM 2189 N GLU A 140 8.687 3.923 -1.471 1.00 0.01 N ATOM 2190 CA GLU A 140 9.703 5.017 -1.510 1.00 0.02 C ATOM 2191 C GLU A 140 11.135 4.466 -1.537 1.00 0.01 C ATOM 2192 O GLU A 140 12.014 5.090 -2.100 1.00 0.01 O ATOM 2193 CB GLU A 140 9.521 5.864 -0.251 1.00 0.01 C ATOM 2194 CG GLU A 140 10.368 7.135 -0.353 1.00 0.02 C ATOM 2195 CD GLU A 140 9.951 8.113 0.746 1.00 0.02 C ATOM 2196 OE1 GLU A 140 9.578 7.650 1.811 1.00 0.01 O ATOM 2197 OE2 GLU A 140 10.018 9.307 0.508 1.00 0.02 O ATOM 0 H GLU A 140 8.231 3.796 -0.567 1.00 0.01 H new ATOM 0 HA GLU A 140 9.557 5.603 -2.418 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.470 6.126 -0.127 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.813 5.291 0.629 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.425 6.889 -0.254 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.237 7.595 -1.333 1.00 0.02 H new ATOM 2204 N LEU A 141 11.401 3.328 -0.934 1.00 0.01 N ATOM 2205 CA LEU A 141 12.800 2.775 -0.930 1.00 0.02 C ATOM 2206 C LEU A 141 12.815 1.451 -1.715 1.00 0.01 C ATOM 2207 O LEU A 141 11.795 0.793 -1.831 1.00 0.01 O ATOM 2208 CB LEU A 141 13.210 2.520 0.536 1.00 0.57 C ATOM 2209 CG LEU A 141 13.769 3.812 1.167 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.640 3.737 2.693 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.251 3.993 0.802 1.00 1.24 C ATOM 0 H LEU A 141 10.711 2.758 -0.445 1.00 0.01 H new ATOM 0 HA LEU A 141 13.496 3.474 -1.395 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.349 2.171 1.106 1.00 0.57 H new ATOM 0 HB3 LEU A 141 13.961 1.731 0.579 1.00 0.57 H new ATOM 0 HG LEU A 141 13.199 4.658 0.783 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.035 4.651 3.137 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.590 3.627 2.964 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.203 2.880 3.064 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.628 4.909 1.256 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.823 3.142 1.172 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.354 4.056 -0.281 1.00 1.24 H new ATOM 2223 N PRO A 142 13.955 1.053 -2.257 1.00 0.01 N ATOM 2224 CA PRO A 142 14.037 -0.214 -3.041 1.00 0.01 C ATOM 2225 C PRO A 142 13.589 -1.439 -2.239 1.00 0.01 C ATOM 2226 O PRO A 142 13.458 -1.416 -1.032 1.00 0.01 O ATOM 2227 CB PRO A 142 15.537 -0.297 -3.406 1.00 0.01 C ATOM 2228 CG PRO A 142 16.277 0.826 -2.657 1.00 0.02 C ATOM 2229 CD PRO A 142 15.231 1.823 -2.135 1.00 0.01 C ATOM 0 HA PRO A 142 13.374 -0.209 -3.906 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.942 -1.270 -3.129 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.673 -0.190 -4.482 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.856 0.414 -1.830 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.981 1.327 -3.321 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.430 2.116 -1.104 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.211 2.737 -2.729 1.00 0.01 H new ATOM 2237 N ASN A 143 13.381 -2.517 -2.942 1.00 0.01 N ATOM 2238 CA ASN A 143 12.968 -3.796 -2.305 1.00 0.01 C ATOM 2239 C ASN A 143 11.644 -3.644 -1.557 1.00 0.01 C ATOM 2240 O ASN A 143 11.382 -4.325 -0.585 1.00 0.01 O ATOM 2241 CB ASN A 143 14.053 -4.239 -1.323 1.00 0.23 C ATOM 2242 CG ASN A 143 15.430 -4.065 -1.971 1.00 0.11 C ATOM 2243 OD1 ASN A 143 16.219 -3.246 -1.541 1.00 0.75 O ATOM 2244 ND2 ASN A 143 15.756 -4.804 -2.995 1.00 0.56 N ATOM 0 H ASN A 143 13.483 -2.565 -3.956 1.00 0.01 H new ATOM 0 HA ASN A 143 12.833 -4.542 -3.088 1.00 0.01 H new ATOM 0 HB2 ASN A 143 13.993 -3.650 -0.408 1.00 0.23 H new ATOM 0 HB3 ASN A 143 13.901 -5.281 -1.042 1.00 0.23 H new ATOM 0 HD21 ASN A 143 16.671 -4.694 -3.433 1.00 0.56 H new ATOM 0 HD22 ASN A 143 15.096 -5.492 -3.358 1.00 0.56 H new ATOM 2251 N TYR A 144 10.792 -2.780 -2.037 1.00 0.01 N ATOM 2252 CA TYR A 144 9.456 -2.591 -1.403 1.00 0.02 C ATOM 2253 C TYR A 144 9.590 -2.187 0.071 1.00 0.01 C ATOM 2254 O TYR A 144 8.997 -2.792 0.944 1.00 0.01 O ATOM 2255 CB TYR A 144 8.667 -3.905 -1.517 1.00 0.01 C ATOM 2256 CG TYR A 144 9.055 -4.605 -2.803 1.00 0.01 C ATOM 2257 CD1 TYR A 144 8.891 -3.947 -4.028 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.591 -5.901 -2.772 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.259 -4.581 -5.220 1.00 0.01 C ATOM 2260 CE2 TYR A 144 9.962 -6.534 -3.964 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.796 -5.875 -5.188 1.00 0.01 C ATOM 2262 OH TYR A 144 10.164 -6.500 -6.363 1.00 0.01 O ATOM 0 H TYR A 144 10.967 -2.190 -2.851 1.00 0.01 H new ATOM 0 HA TYR A 144 8.930 -1.788 -1.919 1.00 0.02 H new ATOM 0 HB2 TYR A 144 8.878 -4.546 -0.661 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.596 -3.703 -1.507 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.480 -2.949 -4.053 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.717 -6.410 -1.828 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.129 -4.073 -6.164 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.376 -7.531 -3.940 1.00 0.01 H new ATOM 0 HH TYR A 144 10.519 -7.391 -6.162 1.00 0.01 H new ATOM 2272 N ARG A 145 10.363 -1.164 0.349 1.00 0.02 N ATOM 2273 CA ARG A 145 10.539 -0.704 1.769 1.00 0.01 C ATOM 2274 C ARG A 145 10.224 0.791 1.877 1.00 0.01 C ATOM 2275 O ARG A 145 10.135 1.490 0.887 1.00 0.01 O ATOM 2276 CB ARG A 145 11.989 -0.936 2.202 1.00 0.01 C ATOM 2277 CG ARG A 145 12.287 -2.442 2.253 1.00 0.02 C ATOM 2278 CD ARG A 145 11.436 -3.122 3.338 1.00 0.01 C ATOM 2279 NE ARG A 145 12.162 -4.316 3.852 1.00 0.01 N ATOM 2280 CZ ARG A 145 11.785 -4.875 4.968 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.764 -4.396 5.626 1.00 0.02 N ATOM 2282 NH2 ARG A 145 12.426 -5.915 5.423 1.00 0.01 N ATOM 0 H ARG A 145 10.881 -0.625 -0.345 1.00 0.02 H new ATOM 0 HA ARG A 145 9.861 -1.267 2.411 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.668 -0.446 1.505 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.161 -0.489 3.181 1.00 0.01 H new ATOM 0 HG2 ARG A 145 12.079 -2.893 1.283 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.345 -2.603 2.458 1.00 0.02 H new ATOM 0 HD2 ARG A 145 11.237 -2.424 4.151 1.00 0.01 H new ATOM 0 HD3 ARG A 145 10.470 -3.417 2.928 1.00 0.01 H new ATOM 0 HE ARG A 145 12.953 -4.696 3.332 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.261 -3.584 5.267 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.469 -4.833 6.499 1.00 0.02 H new ATOM 0 HH21 ARG A 145 13.221 -6.290 4.906 1.00 0.01 H new ATOM 0 HH22 ARG A 145 12.132 -6.353 6.296 1.00 0.01 H new ATOM 2296 N GLY A 146 10.038 1.285 3.077 1.00 0.01 N ATOM 2297 CA GLY A 146 9.720 2.733 3.261 1.00 0.02 C ATOM 2298 C GLY A 146 8.206 2.951 3.179 1.00 0.01 C ATOM 2299 O GLY A 146 7.428 2.021 3.250 1.00 0.02 O ATOM 0 H GLY A 146 10.093 0.744 3.940 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.093 3.076 4.226 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.223 3.324 2.496 1.00 0.02 H new ATOM 2303 N ARG A 147 7.790 4.179 3.026 1.00 0.01 N ATOM 2304 CA ARG A 147 6.332 4.472 2.936 1.00 0.01 C ATOM 2305 C ARG A 147 5.802 3.917 1.620 1.00 0.01 C ATOM 2306 O ARG A 147 6.466 3.946 0.602 1.00 0.01 O ATOM 2307 CB ARG A 147 6.112 5.985 2.981 1.00 0.01 C ATOM 2308 CG ARG A 147 4.610 6.272 2.971 1.00 0.01 C ATOM 2309 CD ARG A 147 4.367 7.754 3.259 1.00 0.01 C ATOM 2310 NE ARG A 147 2.915 7.978 3.505 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.509 9.089 4.055 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.375 10.008 4.385 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.236 9.281 4.277 1.00 0.02 N ATOM 0 H ARG A 147 8.400 4.994 2.959 1.00 0.01 H new ATOM 0 HA ARG A 147 5.806 4.010 3.772 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.569 6.405 3.877 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.592 6.460 2.125 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.185 6.005 2.003 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.108 5.659 3.719 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.947 8.067 4.127 1.00 0.01 H new ATOM 0 HD3 ARG A 147 4.702 8.359 2.417 1.00 0.01 H new ATOM 0 HE ARG A 147 2.238 7.262 3.243 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.369 9.857 4.213 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.058 10.877 4.815 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.559 8.562 4.020 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.919 10.150 4.707 1.00 0.02 H new ATOM 2327 N GLN A 148 4.610 3.374 1.655 1.00 0.01 N ATOM 2328 CA GLN A 148 4.005 2.756 0.436 1.00 0.01 C ATOM 2329 C GLN A 148 2.781 3.569 0.003 1.00 0.01 C ATOM 2330 O GLN A 148 2.101 4.159 0.814 1.00 0.01 O ATOM 2331 CB GLN A 148 3.560 1.325 0.805 1.00 0.00 C ATOM 2332 CG GLN A 148 4.502 0.741 1.862 1.00 0.02 C ATOM 2333 CD GLN A 148 4.186 -0.742 2.066 1.00 0.02 C ATOM 2334 OE1 GLN A 148 5.068 -1.529 2.350 1.00 0.02 O ATOM 2335 NE2 GLN A 148 2.957 -1.161 1.933 1.00 0.01 N ATOM 0 H GLN A 148 4.023 3.333 2.488 1.00 0.01 H new ATOM 0 HA GLN A 148 4.727 2.738 -0.380 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.538 1.339 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.561 0.694 -0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.538 0.863 1.547 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.389 1.280 2.802 1.00 0.02 H new ATOM 0 HE21 GLN A 148 2.216 -0.501 1.695 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.737 -2.148 2.067 1.00 0.01 H new ATOM 2344 N TYR A 149 2.493 3.585 -1.273 1.00 0.01 N ATOM 2345 CA TYR A 149 1.302 4.333 -1.790 1.00 0.01 C ATOM 2346 C TYR A 149 0.414 3.358 -2.568 1.00 0.01 C ATOM 2347 O TYR A 149 0.897 2.589 -3.374 1.00 0.01 O ATOM 2348 CB TYR A 149 1.761 5.478 -2.701 1.00 0.01 C ATOM 2349 CG TYR A 149 2.969 6.146 -2.093 1.00 0.01 C ATOM 2350 CD1 TYR A 149 2.804 7.152 -1.135 1.00 0.01 C ATOM 2351 CD2 TYR A 149 4.254 5.759 -2.487 1.00 0.01 C ATOM 2352 CE1 TYR A 149 3.924 7.772 -0.569 1.00 0.01 C ATOM 2353 CE2 TYR A 149 5.375 6.378 -1.922 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.210 7.384 -0.963 1.00 0.01 C ATOM 2355 OH TYR A 149 6.317 7.993 -0.409 1.00 0.01 O ATOM 0 H TYR A 149 3.038 3.106 -1.990 1.00 0.01 H new ATOM 0 HA TYR A 149 0.738 4.760 -0.960 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.004 5.094 -3.692 1.00 0.01 H new ATOM 0 HB3 TYR A 149 0.956 6.202 -2.828 1.00 0.01 H new ATOM 0 HD1 TYR A 149 1.811 7.451 -0.832 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.381 4.983 -3.227 1.00 0.01 H new ATOM 0 HE1 TYR A 149 3.796 8.549 0.171 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.367 6.079 -2.226 1.00 0.01 H new ATOM 0 HH TYR A 149 6.109 8.282 0.504 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.872 3.358 -2.331 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.765 2.404 -3.057 1.00 0.01 C ATOM 2367 C LEU A 150 -2.351 3.108 -4.280 1.00 0.01 C ATOM 2368 O LEU A 150 -3.047 4.096 -4.161 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.891 1.981 -2.102 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.835 0.971 -2.780 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.123 -0.375 -2.982 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.066 0.768 -1.888 1.00 0.01 C ATOM 0 H LEU A 150 -1.342 3.975 -1.669 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.211 1.525 -3.385 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.463 1.538 -1.202 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.456 2.859 -1.788 1.00 0.01 H new ATOM 0 HG LEU A 150 -4.135 1.357 -3.754 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.803 -1.078 -3.462 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.245 -0.231 -3.612 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.814 -0.772 -2.015 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.742 0.054 -2.358 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.752 0.385 -0.917 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.579 1.720 -1.754 1.00 0.01 H new ATOM 2384 N LEU A 151 -2.094 2.587 -5.454 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.652 3.196 -6.697 1.00 0.01 C ATOM 2386 C LEU A 151 -3.843 2.356 -7.167 1.00 0.01 C ATOM 2387 O LEU A 151 -3.823 1.136 -7.098 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.576 3.235 -7.786 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.227 3.617 -7.173 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.828 3.703 -8.277 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -0.347 4.975 -6.479 1.00 0.01 C ATOM 0 H LEU A 151 -1.517 1.759 -5.604 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.979 4.216 -6.494 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.502 2.262 -8.271 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.852 3.955 -8.556 1.00 0.01 H new ATOM 0 HG LEU A 151 0.067 2.861 -6.445 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.789 3.975 -7.841 1.00 0.01 H new ATOM 0 HD12 LEU A 151 0.915 2.736 -8.773 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.532 4.459 -9.005 1.00 0.01 H new ATOM 0 HD21 LEU A 151 0.614 5.247 -6.042 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -0.642 5.731 -7.207 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -1.099 4.916 -5.692 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.885 2.999 -7.634 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.097 2.256 -8.104 1.00 0.01 C ATOM 2405 C ASP A 152 -6.186 2.338 -9.632 1.00 0.00 C ATOM 2406 O ASP A 152 -5.227 2.661 -10.305 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.347 2.893 -7.492 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.193 2.960 -5.973 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -7.201 1.910 -5.351 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -7.072 4.058 -5.455 1.00 1.57 O ATOM 0 H ASP A 152 -4.949 4.014 -7.710 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.026 1.212 -7.798 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.494 3.894 -7.898 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.230 2.310 -7.753 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.332 2.044 -10.183 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.481 2.102 -11.663 1.00 0.01 C ATOM 2417 C LYS A 153 -7.565 3.561 -12.113 1.00 0.01 C ATOM 2418 O LYS A 153 -8.347 3.905 -12.973 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.758 1.364 -12.080 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.932 1.851 -11.225 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.249 1.395 -11.856 1.00 0.72 C ATOM 2422 CE LYS A 153 -12.419 1.811 -10.961 1.00 1.09 C ATOM 2423 NZ LYS A 153 -12.495 3.298 -10.908 1.00 1.84 N ATOM 0 H LYS A 153 -8.170 1.767 -9.672 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.619 1.627 -12.131 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.965 1.541 -13.135 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.626 0.289 -11.957 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.846 1.456 -10.213 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -9.912 2.938 -11.146 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -11.361 1.836 -12.846 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.245 0.313 -11.987 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -13.352 1.401 -11.349 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -12.286 1.406 -9.958 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -13.417 3.585 -10.522 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -11.736 3.663 -10.298 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -12.385 3.686 -11.867 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.764 4.417 -11.532 1.00 0.00 N ATOM 2438 CA LYS A 154 -6.783 5.866 -11.907 1.00 0.01 C ATOM 2439 C LYS A 154 -5.456 6.236 -12.577 1.00 0.01 C ATOM 2440 O LYS A 154 -4.469 5.538 -12.450 1.00 0.00 O ATOM 2441 CB LYS A 154 -6.954 6.705 -10.636 1.00 0.39 C ATOM 2442 CG LYS A 154 -6.903 8.199 -10.990 1.00 0.48 C ATOM 2443 CD LYS A 154 -7.405 9.045 -9.805 1.00 0.97 C ATOM 2444 CE LYS A 154 -8.931 9.196 -9.865 1.00 1.44 C ATOM 2445 NZ LYS A 154 -9.442 9.591 -8.524 1.00 2.28 N ATOM 0 H LYS A 154 -6.090 4.173 -10.806 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.606 6.058 -12.596 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.904 6.467 -10.157 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -6.167 6.464 -9.921 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -5.882 8.485 -11.244 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -7.516 8.393 -11.870 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -7.116 8.574 -8.865 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -6.935 10.028 -9.826 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -9.204 9.947 -10.606 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -9.388 8.258 -10.179 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -10.476 9.694 -8.563 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -9.193 8.859 -7.828 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -9.015 10.496 -8.242 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.428 7.339 -13.278 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.173 7.790 -13.954 1.00 0.01 C ATOM 2461 C GLU A 155 -3.577 8.927 -13.127 1.00 0.01 C ATOM 2462 O GLU A 155 -4.273 9.850 -12.749 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.509 8.298 -15.360 1.00 0.01 C ATOM 2464 CG GLU A 155 -5.252 7.204 -16.136 1.00 0.01 C ATOM 2465 CD GLU A 155 -6.687 7.095 -15.619 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -7.484 7.960 -15.952 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -6.966 6.151 -14.900 1.00 0.01 O ATOM 0 H GLU A 155 -6.230 7.954 -13.413 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.463 6.967 -14.035 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -5.125 9.195 -15.296 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -3.595 8.575 -15.886 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -5.255 7.437 -17.201 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -4.739 6.249 -16.020 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.306 8.860 -12.811 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.681 9.925 -11.974 1.00 0.01 C ATOM 2476 C TYR A 156 -0.861 10.875 -12.842 1.00 0.01 C ATOM 2477 O TYR A 156 0.139 10.497 -13.422 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.795 9.248 -10.931 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.644 8.283 -10.137 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -1.967 7.031 -10.678 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.124 8.645 -8.875 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.774 6.144 -9.954 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -2.927 7.756 -8.150 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.254 6.508 -8.690 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.056 5.640 -7.980 1.00 0.01 O ATOM 0 H TYR A 156 -1.676 8.111 -13.099 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.453 10.516 -11.480 1.00 0.01 H new ATOM 0 HB2 TYR A 156 0.026 8.720 -11.416 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.350 9.993 -10.271 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.594 6.750 -11.652 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -1.876 9.610 -8.459 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.026 5.180 -10.371 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.294 8.034 -7.173 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.300 6.047 -7.123 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.298 12.097 -12.969 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.575 13.068 -13.836 1.00 0.01 C ATOM 2497 C ARG A 157 0.480 13.817 -13.031 1.00 0.00 C ATOM 2498 O ARG A 157 1.479 14.245 -13.573 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.577 14.072 -14.409 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.454 14.625 -13.284 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.266 15.812 -13.804 1.00 0.00 C ATOM 2502 NE ARG A 157 -2.341 16.914 -14.183 1.00 0.01 N ATOM 2503 CZ ARG A 157 -2.765 17.892 -14.930 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -4.002 17.904 -15.349 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -1.952 18.861 -15.259 1.00 0.01 N ATOM 0 H ARG A 157 -2.129 12.466 -12.507 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.084 12.524 -14.643 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.048 14.886 -14.904 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.198 13.590 -15.164 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -3.123 13.848 -12.915 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -1.833 14.936 -12.444 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -3.862 15.510 -14.665 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -3.963 16.154 -13.038 1.00 0.00 H new ATOM 0 HE ARG A 157 -1.374 16.903 -13.857 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -4.635 17.147 -15.091 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -4.335 18.670 -15.934 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -0.986 18.850 -14.930 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -2.283 19.628 -15.844 1.00 0.01 H new ATOM 2519 N LYS A 158 0.290 13.967 -11.742 1.00 0.01 N ATOM 2520 CA LYS A 158 1.303 14.669 -10.894 1.00 0.01 C ATOM 2521 C LYS A 158 1.714 13.707 -9.767 1.00 0.01 C ATOM 2522 O LYS A 158 0.943 12.852 -9.381 1.00 0.01 O ATOM 2523 CB LYS A 158 0.656 15.927 -10.291 1.00 0.58 C ATOM 2524 CG LYS A 158 0.707 17.075 -11.304 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.179 18.225 -10.820 1.00 1.44 C ATOM 2526 CE LYS A 158 0.103 19.471 -11.656 1.00 2.13 C ATOM 2527 NZ LYS A 158 0.156 19.097 -13.100 1.00 2.54 N ATOM 0 H LYS A 158 -0.530 13.630 -11.238 1.00 0.01 H new ATOM 0 HA LYS A 158 2.175 14.960 -11.480 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.378 15.719 -10.016 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.178 16.213 -9.378 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.734 17.420 -11.427 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.369 16.728 -12.280 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -1.230 17.948 -10.903 1.00 1.44 H new ATOM 0 HD3 LYS A 158 0.015 18.429 -9.767 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -0.674 20.217 -11.490 1.00 2.13 H new ATOM 0 HE3 LYS A 158 1.047 19.921 -11.351 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -0.076 19.927 -13.682 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 1.112 18.764 -13.337 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -0.531 18.339 -13.288 1.00 2.54 H new ATOM 2541 N PRO A 159 2.895 13.835 -9.217 1.00 0.01 N ATOM 2542 CA PRO A 159 3.308 12.926 -8.113 1.00 0.02 C ATOM 2543 C PRO A 159 2.387 13.084 -6.895 1.00 0.01 C ATOM 2544 O PRO A 159 2.021 12.116 -6.264 1.00 0.01 O ATOM 2545 CB PRO A 159 4.748 13.393 -7.826 1.00 0.41 C ATOM 2546 CG PRO A 159 4.956 14.742 -8.538 1.00 0.70 C ATOM 2547 CD PRO A 159 3.887 14.867 -9.631 1.00 0.28 C ATOM 0 HA PRO A 159 3.248 11.866 -8.361 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.909 13.499 -6.753 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.467 12.657 -8.185 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.874 15.565 -7.828 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.954 14.794 -8.973 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.449 15.865 -9.661 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.293 14.668 -10.623 1.00 0.28 H new ATOM 2555 N VAL A 160 2.020 14.278 -6.551 1.00 0.01 N ATOM 2556 CA VAL A 160 1.134 14.461 -5.365 1.00 0.02 C ATOM 2557 C VAL A 160 -0.187 13.718 -5.597 1.00 0.02 C ATOM 2558 O VAL A 160 -0.930 13.450 -4.675 1.00 0.02 O ATOM 2559 CB VAL A 160 0.858 15.951 -5.169 1.00 0.14 C ATOM 2560 CG1 VAL A 160 0.110 16.164 -3.849 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.183 16.712 -5.130 1.00 0.74 C ATOM 0 H VAL A 160 2.290 15.136 -7.033 1.00 0.01 H new ATOM 0 HA VAL A 160 1.621 14.061 -4.476 1.00 0.02 H new ATOM 0 HB VAL A 160 0.249 16.319 -5.995 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.087 17.227 -3.710 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -0.835 15.621 -3.874 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.718 15.796 -3.023 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.988 17.775 -4.990 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.790 16.343 -4.304 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.717 16.561 -6.068 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.498 13.395 -6.820 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.784 12.692 -7.088 1.00 0.01 C ATOM 2573 C ASP A 161 -1.814 11.286 -6.464 1.00 0.01 C ATOM 2574 O ASP A 161 -2.879 10.738 -6.267 1.00 0.01 O ATOM 2575 CB ASP A 161 -1.985 12.566 -8.599 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.397 12.053 -8.885 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.132 11.840 -7.934 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -3.721 11.884 -10.049 1.00 0.00 O ATOM 0 H ASP A 161 0.077 13.585 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.583 13.280 -6.637 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.834 13.533 -9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.247 11.883 -9.019 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.675 10.697 -6.121 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.714 9.328 -5.477 1.00 0.01 C ATOM 2585 C TRP A 162 -0.524 9.448 -3.957 1.00 0.01 C ATOM 2586 O TRP A 162 -0.292 8.469 -3.275 1.00 0.01 O ATOM 2587 CB TRP A 162 0.326 8.355 -6.074 1.00 0.01 C ATOM 2588 CG TRP A 162 1.661 8.992 -6.282 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.339 9.716 -5.369 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.514 8.921 -7.462 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.544 10.116 -5.922 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.698 9.649 -7.209 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.368 8.308 -8.719 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.707 9.763 -8.167 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.381 8.420 -9.686 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.547 9.147 -9.410 1.00 0.01 C ATOM 0 H TRP A 162 0.255 11.094 -6.255 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.697 8.907 -5.689 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.437 7.497 -5.411 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.043 7.976 -7.027 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.998 9.946 -4.370 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.234 10.688 -5.435 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.472 7.748 -8.942 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.604 10.323 -7.949 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.261 7.943 -10.648 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.321 9.231 -10.158 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.682 10.631 -3.415 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.583 10.805 -1.930 1.00 0.01 C ATOM 2609 C GLY A 163 0.857 11.008 -1.448 1.00 0.01 C ATOM 2610 O GLY A 163 1.124 10.959 -0.263 1.00 0.01 O ATOM 0 H GLY A 163 -0.876 11.486 -3.937 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.186 11.662 -1.629 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.005 9.929 -1.438 1.00 0.01 H new ATOM 2614 N ALA A 164 1.790 11.225 -2.337 1.00 0.01 N ATOM 2615 CA ALA A 164 3.215 11.418 -1.903 1.00 0.02 C ATOM 2616 C ALA A 164 3.568 12.907 -1.902 1.00 0.01 C ATOM 2617 O ALA A 164 3.183 13.659 -2.776 1.00 0.02 O ATOM 2618 CB ALA A 164 4.142 10.721 -2.893 1.00 0.01 C ATOM 0 H ALA A 164 1.633 11.278 -3.343 1.00 0.01 H new ATOM 0 HA ALA A 164 3.333 11.004 -0.902 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.177 10.859 -2.581 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.910 9.656 -2.921 1.00 0.01 H new ATOM 0 HB3 ALA A 164 4.002 11.149 -3.886 1.00 0.01 H new ATOM 2624 N ALA A 165 4.311 13.328 -0.917 1.00 0.02 N ATOM 2625 CA ALA A 165 4.719 14.760 -0.829 1.00 0.01 C ATOM 2626 C ALA A 165 5.970 14.991 -1.684 1.00 0.02 C ATOM 2627 O ALA A 165 6.410 16.111 -1.860 1.00 0.01 O ATOM 2628 CB ALA A 165 5.034 15.120 0.623 1.00 0.59 C ATOM 0 H ALA A 165 4.657 12.736 -0.162 1.00 0.02 H new ATOM 0 HA ALA A 165 3.903 15.385 -1.192 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.332 16.167 0.682 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.149 14.959 1.238 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.847 14.491 0.986 1.00 0.59 H new ATOM 2634 N SER A 166 6.551 13.941 -2.216 1.00 0.01 N ATOM 2635 CA SER A 166 7.778 14.097 -3.062 1.00 0.01 C ATOM 2636 C SER A 166 7.693 13.148 -4.274 1.00 0.02 C ATOM 2637 O SER A 166 7.087 12.099 -4.184 1.00 0.01 O ATOM 2638 CB SER A 166 9.006 13.736 -2.224 1.00 0.72 C ATOM 2639 OG SER A 166 9.245 14.766 -1.271 1.00 0.87 O ATOM 0 H SER A 166 6.227 12.981 -2.100 1.00 0.01 H new ATOM 0 HA SER A 166 7.855 15.126 -3.413 1.00 0.01 H new ATOM 0 HB2 SER A 166 8.847 12.785 -1.716 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.876 13.612 -2.868 1.00 0.72 H new ATOM 0 HG SER A 166 10.030 14.537 -0.731 1.00 0.87 H new ATOM 2645 N PRO A 167 8.304 13.484 -5.400 1.00 0.02 N ATOM 2646 CA PRO A 167 8.267 12.584 -6.592 1.00 0.01 C ATOM 2647 C PRO A 167 9.200 11.374 -6.434 1.00 0.01 C ATOM 2648 O PRO A 167 9.542 10.715 -7.401 1.00 0.01 O ATOM 2649 CB PRO A 167 8.786 13.513 -7.701 1.00 0.38 C ATOM 2650 CG PRO A 167 9.589 14.626 -7.019 1.00 0.35 C ATOM 2651 CD PRO A 167 9.058 14.765 -5.584 1.00 0.22 C ATOM 0 HA PRO A 167 7.281 12.158 -6.774 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.411 12.962 -8.403 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.957 13.931 -8.272 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.652 14.384 -7.013 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.479 15.565 -7.561 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.866 14.870 -4.859 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.413 15.637 -5.471 1.00 0.22 H new ATOM 2659 N ALA A 168 9.657 11.110 -5.241 1.00 0.01 N ATOM 2660 CA ALA A 168 10.608 9.975 -5.052 1.00 0.01 C ATOM 2661 C ALA A 168 9.874 8.640 -4.880 1.00 0.01 C ATOM 2662 O ALA A 168 9.112 8.442 -3.958 1.00 0.02 O ATOM 2663 CB ALA A 168 11.451 10.235 -3.802 1.00 0.18 C ATOM 0 H ALA A 168 9.416 11.625 -4.394 1.00 0.01 H new ATOM 0 HA ALA A 168 11.234 9.909 -5.942 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.149 9.411 -3.656 1.00 0.18 H new ATOM 0 HB2 ALA A 168 12.007 11.164 -3.925 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.798 10.316 -2.933 1.00 0.18 H new ATOM 2669 N ILE A 169 10.183 7.713 -5.750 1.00 0.01 N ATOM 2670 CA ILE A 169 9.607 6.334 -5.682 1.00 0.01 C ATOM 2671 C ILE A 169 10.685 5.399 -6.214 1.00 0.01 C ATOM 2672 O ILE A 169 11.230 5.629 -7.277 1.00 0.01 O ATOM 2673 CB ILE A 169 8.349 6.199 -6.554 1.00 1.81 C ATOM 2674 CG1 ILE A 169 7.353 7.346 -6.265 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.687 4.852 -6.247 1.00 2.24 C ATOM 2676 CD1 ILE A 169 7.666 8.562 -7.148 1.00 3.99 C ATOM 0 H ILE A 169 10.828 7.858 -6.526 1.00 0.01 H new ATOM 0 HA ILE A 169 9.315 6.100 -4.658 1.00 0.01 H new ATOM 0 HB ILE A 169 8.633 6.254 -7.605 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.334 7.007 -6.451 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.409 7.628 -5.214 1.00 2.75 H new ATOM 0 HG21 ILE A 169 6.791 4.739 -6.858 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.384 4.045 -6.472 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.414 4.813 -5.192 1.00 2.24 H new ATOM 0 HD11 ILE A 169 6.956 9.361 -6.932 1.00 3.99 H new ATOM 0 HD12 ILE A 169 8.678 8.911 -6.942 1.00 3.99 H new ATOM 0 HD13 ILE A 169 7.587 8.279 -8.198 1.00 3.99 H new ATOM 2688 N GLN A 170 11.036 4.373 -5.476 1.00 0.01 N ATOM 2689 CA GLN A 170 12.127 3.453 -5.927 1.00 0.01 C ATOM 2690 C GLN A 170 11.607 2.065 -6.313 1.00 0.02 C ATOM 2691 O GLN A 170 12.327 1.317 -6.939 1.00 0.01 O ATOM 2692 CB GLN A 170 13.155 3.323 -4.804 1.00 2.62 C ATOM 2693 CG GLN A 170 13.735 4.708 -4.506 1.00 3.39 C ATOM 2694 CD GLN A 170 14.646 5.134 -5.659 1.00 4.36 C ATOM 2695 OE1 GLN A 170 15.646 4.501 -5.925 1.00 4.83 O ATOM 2696 NE2 GLN A 170 14.336 6.185 -6.363 1.00 5.17 N ATOM 0 H GLN A 170 10.613 4.133 -4.579 1.00 0.01 H new ATOM 0 HA GLN A 170 12.578 3.883 -6.821 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.688 2.909 -3.910 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.949 2.636 -5.096 1.00 2.62 H new ATOM 0 HG2 GLN A 170 12.930 5.432 -4.377 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.297 4.686 -3.572 1.00 3.39 H new ATOM 0 HE21 GLN A 170 13.495 6.718 -6.140 1.00 5.17 H new ATOM 0 HE22 GLN A 170 14.934 6.475 -7.137 1.00 5.17 H new ATOM 2705 N SER A 171 10.397 1.671 -5.985 1.00 0.01 N ATOM 2706 CA SER A 171 9.964 0.301 -6.407 1.00 0.01 C ATOM 2707 C SER A 171 8.436 0.230 -6.473 1.00 0.01 C ATOM 2708 O SER A 171 7.736 0.999 -5.845 1.00 0.01 O ATOM 2709 CB SER A 171 10.477 -0.719 -5.391 1.00 0.01 C ATOM 2710 OG SER A 171 10.304 -2.030 -5.908 1.00 0.02 O ATOM 0 H SER A 171 9.713 2.217 -5.462 1.00 0.01 H new ATOM 0 HA SER A 171 10.372 0.081 -7.394 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.530 -0.537 -5.177 1.00 0.01 H new ATOM 0 HB3 SER A 171 9.938 -0.614 -4.450 1.00 0.01 H new ATOM 0 HG SER A 171 10.084 -2.644 -5.176 1.00 0.02 H new ATOM 2716 N PHE A 172 7.911 -0.716 -7.213 1.00 0.01 N ATOM 2717 CA PHE A 172 6.424 -0.865 -7.300 1.00 0.01 C ATOM 2718 C PHE A 172 6.061 -2.332 -7.548 1.00 0.01 C ATOM 2719 O PHE A 172 6.836 -3.091 -8.102 1.00 0.01 O ATOM 2720 CB PHE A 172 5.849 0.027 -8.409 1.00 1.06 C ATOM 2721 CG PHE A 172 6.465 -0.301 -9.750 1.00 0.75 C ATOM 2722 CD1 PHE A 172 6.049 -1.438 -10.453 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.434 0.547 -10.303 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.606 -1.728 -11.707 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.987 0.259 -11.556 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.572 -0.878 -12.258 1.00 1.92 C ATOM 0 H PHE A 172 8.446 -1.390 -7.760 1.00 0.01 H new ATOM 0 HA PHE A 172 5.987 -0.547 -6.353 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.768 -0.104 -8.461 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.032 1.074 -8.168 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.300 -2.091 -10.030 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.755 1.425 -9.761 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.289 -2.608 -12.248 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.733 0.914 -11.981 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.997 -1.100 -13.226 1.00 1.92 H new ATOM 2736 N ARG A 173 4.897 -2.751 -7.108 1.00 0.01 N ATOM 2737 CA ARG A 173 4.490 -4.184 -7.281 1.00 0.01 C ATOM 2738 C ARG A 173 2.988 -4.286 -7.560 1.00 0.01 C ATOM 2739 O ARG A 173 2.195 -3.488 -7.096 1.00 0.01 O ATOM 2740 CB ARG A 173 4.756 -4.957 -5.982 1.00 0.01 C ATOM 2741 CG ARG A 173 6.254 -5.091 -5.710 1.00 0.01 C ATOM 2742 CD ARG A 173 6.456 -5.574 -4.267 1.00 0.01 C ATOM 2743 NE ARG A 173 5.357 -6.508 -3.890 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.479 -7.266 -2.836 1.00 0.01 C ATOM 2745 NH1 ARG A 173 6.567 -7.214 -2.115 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.513 -8.078 -2.499 1.00 0.01 N ATOM 0 H ARG A 173 4.211 -2.162 -6.636 1.00 0.01 H new ATOM 0 HA ARG A 173 5.062 -4.595 -8.113 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.277 -4.445 -5.147 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.306 -5.948 -6.048 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.703 -5.796 -6.410 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.752 -4.133 -5.860 1.00 0.01 H new ATOM 0 HD2 ARG A 173 7.420 -6.074 -4.173 1.00 0.01 H new ATOM 0 HD3 ARG A 173 6.471 -4.722 -3.587 1.00 0.01 H new ATOM 0 HE ARG A 173 4.510 -6.554 -4.456 1.00 0.01 H new ATOM 0 HH11 ARG A 173 7.322 -6.580 -2.376 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.661 -7.807 -1.291 1.00 0.01 H new ATOM 0 HH21 ARG A 173 3.662 -8.120 -3.060 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.609 -8.671 -1.674 1.00 0.01 H new ATOM 2760 N ARG A 174 2.594 -5.296 -8.291 1.00 0.01 N ATOM 2761 CA ARG A 174 1.146 -5.506 -8.584 1.00 0.01 C ATOM 2762 C ARG A 174 0.540 -6.344 -7.454 1.00 0.01 C ATOM 2763 O ARG A 174 1.177 -7.237 -6.931 1.00 0.01 O ATOM 2764 CB ARG A 174 0.989 -6.258 -9.909 1.00 0.01 C ATOM 2765 CG ARG A 174 2.051 -7.356 -9.999 1.00 0.01 C ATOM 2766 CD ARG A 174 1.681 -8.337 -11.114 1.00 0.01 C ATOM 2767 NE ARG A 174 2.858 -9.191 -11.439 1.00 0.01 N ATOM 2768 CZ ARG A 174 2.702 -10.285 -12.135 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.513 -10.627 -12.553 1.00 0.01 N ATOM 2770 NH2 ARG A 174 3.734 -11.036 -12.411 1.00 0.01 N ATOM 0 H ARG A 174 3.219 -5.990 -8.701 1.00 0.01 H new ATOM 0 HA ARG A 174 0.640 -4.544 -8.658 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -0.008 -6.694 -9.976 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.092 -5.568 -10.746 1.00 0.01 H new ATOM 0 HG2 ARG A 174 3.028 -6.916 -10.198 1.00 0.01 H new ATOM 0 HG3 ARG A 174 2.126 -7.882 -9.048 1.00 0.01 H new ATOM 0 HD2 ARG A 174 0.843 -8.959 -10.801 1.00 0.01 H new ATOM 0 HD3 ARG A 174 1.359 -7.791 -12.001 1.00 0.01 H new ATOM 0 HE ARG A 174 3.787 -8.921 -11.117 1.00 0.01 H new ATOM 0 HH11 ARG A 174 0.708 -10.040 -12.336 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.390 -11.481 -13.097 1.00 0.01 H new ATOM 0 HH21 ARG A 174 4.662 -10.768 -12.083 1.00 0.01 H new ATOM 0 HH22 ARG A 174 3.612 -11.890 -12.955 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.682 -6.068 -7.078 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.329 -6.862 -5.981 1.00 0.01 C ATOM 2786 C ILE A 175 -2.197 -7.967 -6.591 1.00 0.00 C ATOM 2787 O ILE A 175 -3.009 -7.719 -7.462 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.202 -5.953 -5.095 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.561 -4.571 -4.995 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.314 -6.552 -3.693 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.413 -3.676 -4.089 1.00 3.04 C ATOM 0 H ILE A 175 -1.261 -5.331 -7.479 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.547 -7.305 -5.364 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.194 -5.870 -5.538 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.551 -4.655 -4.594 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.475 -4.126 -5.986 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -2.932 -5.906 -3.070 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.769 -7.540 -3.755 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.320 -6.637 -3.253 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.955 -2.689 -4.018 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.415 -3.582 -4.509 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.476 -4.119 -3.095 1.00 3.04 H new ATOM 2803 N VAL A 176 -2.036 -9.185 -6.139 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.849 -10.318 -6.681 1.00 0.00 C ATOM 2805 C VAL A 176 -3.312 -11.208 -5.525 1.00 0.01 C ATOM 2806 O VAL A 176 -2.630 -11.332 -4.526 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.996 -11.152 -7.640 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.846 -12.281 -8.226 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -1.483 -10.262 -8.776 1.00 1.89 C ATOM 0 H VAL A 176 -1.370 -9.446 -5.411 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.713 -9.919 -7.212 1.00 0.00 H new ATOM 0 HB VAL A 176 -1.150 -11.574 -7.098 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.240 -12.876 -8.909 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -3.213 -12.916 -7.420 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -3.692 -11.857 -8.767 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -0.876 -10.857 -9.458 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -2.329 -9.840 -9.318 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.878 -9.455 -8.362 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.474 -11.812 -5.666 1.00 0.01 N ATOM 2820 CA GLU A 177 -5.051 -12.707 -4.603 1.00 0.01 C ATOM 2821 C GLU A 177 -4.549 -12.313 -3.210 1.00 0.01 C ATOM 2822 O GLU A 177 -5.114 -12.697 -2.204 1.00 0.01 O ATOM 2823 CB GLU A 177 -4.691 -14.173 -4.907 1.00 2.15 C ATOM 2824 CG GLU A 177 -3.219 -14.462 -4.570 1.00 3.19 C ATOM 2825 CD GLU A 177 -3.065 -14.737 -3.071 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -3.821 -15.544 -2.559 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -2.195 -14.133 -2.464 1.00 4.77 O ATOM 0 H GLU A 177 -5.061 -11.719 -6.495 1.00 0.01 H new ATOM 0 HA GLU A 177 -6.135 -12.592 -4.609 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -5.336 -14.836 -4.331 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -4.875 -14.385 -5.960 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -2.869 -15.321 -5.143 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -2.599 -13.613 -4.857 1.00 3.19 H new