USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1101 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 128 SER OG : rot -96:sc= 0.477 USER MOD Set 1.2: A 130 ASN : amide:sc= -1.24 K(o=-0.76,f=-2.5!) USER MOD Set 2.1: A 82 ASN : amide:sc= -0.391 K(o=-2.4,f=-13!) USER MOD Set 2.2: A 83 ASN :FLIP amide:sc= -1.97! C(o=-8.7!,f=-2.4!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -170:sc=-0.00154 (180deg=-0.117) USER MOD Single : A 11 ASN : amide:sc= -0.462 K(o=-0.46,f=-2.3!) USER MOD Single : A 13 GLN : amide:sc= -1.46 K(o=-1.5,f=-4.1!) USER MOD Single : A 17 SER OG : rot -20:sc= 1.15 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 75:sc= -0.153 USER MOD Single : A 29 SER OG : rot 180:sc= -0.076 USER MOD Single : A 30 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.018) USER MOD Single : A 32 GLN : amide:sc= -0.0917 X(o=-0.092,f=-0.1) USER MOD Single : A 36 MET CE :methyl -128:sc= -0.364 (180deg=-0.904) USER MOD Single : A 37 ASN : amide:sc= -1.05 K(o=-1,f=-3.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -1.48 F(o=-3.5,f=-1.5) USER MOD Single : A 55 THR OG1 : rot -165:sc= -0.458 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 102:sc= 0.881 USER MOD Single : A 70 LYS NZ :NH3+ 139:sc= 1.32 (180deg=0.735) USER MOD Single : A 74 GLN : amide:sc= -1.96! C(o=-2!,f=-2.5!) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.312 F(o=-3.8!,f=-0.31) USER MOD Single : A 94 GLN : amide:sc= -3.56! C(o=-3.6!,f=-8.2!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 75:sc= 0.792 USER MOD Single : A 119 HIS :FLIP no HE2:sc= 0.111 F(o=-0.45,f=0.11) USER MOD Single : A 122 MET CE :methyl -126:sc= -3.34 (180deg=-7.95!) USER MOD Single : A 125 HIS : no HE2:sc= -2.13! C(o=-2.1!,f=-2.8!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -2! C(o=-2!,f=-11!) USER MOD Single : A 144 GLN : amide:sc= -1.42! C(o=-1.4!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 3 6.228 -3.079 18.235 1.00 54.22 N ATOM 45 CA VAL A 3 7.199 -3.261 17.151 1.00 40.50 C ATOM 46 C VAL A 3 6.941 -4.549 16.351 1.00 50.23 C ATOM 47 O VAL A 3 7.110 -5.660 16.862 1.00 54.23 O ATOM 48 CB VAL A 3 8.651 -3.279 17.695 1.00 52.03 C ATOM 49 CG1 VAL A 3 9.663 -3.416 16.555 1.00 42.30 C ATOM 50 CG2 VAL A 3 8.927 -2.024 18.522 1.00 61.44 C ATOM 0 HA VAL A 3 7.074 -2.410 16.482 1.00 40.50 H new ATOM 0 HB VAL A 3 8.762 -4.148 18.343 1.00 52.03 H new ATOM 0 HG11 VAL A 3 10.673 -3.426 16.964 1.00 42.30 H new ATOM 0 HG12 VAL A 3 9.481 -4.346 16.016 1.00 42.30 H new ATOM 0 HG13 VAL A 3 9.557 -2.574 15.871 1.00 42.30 H new ATOM 0 HG21 VAL A 3 9.950 -2.053 18.896 1.00 61.44 H new ATOM 0 HG22 VAL A 3 8.793 -1.140 17.898 1.00 61.44 H new ATOM 0 HG23 VAL A 3 8.234 -1.983 19.363 1.00 61.44 H new ATOM 60 N TYR A 4 6.517 -4.387 15.101 1.00 21.42 N ATOM 61 CA TYR A 4 6.350 -5.510 14.171 1.00 32.34 C ATOM 62 C TYR A 4 7.504 -5.570 13.164 1.00 62.02 C ATOM 63 O TYR A 4 7.802 -4.587 12.489 1.00 24.04 O ATOM 64 CB TYR A 4 5.019 -5.402 13.410 1.00 44.23 C ATOM 65 CG TYR A 4 3.853 -6.079 14.100 1.00 35.42 C ATOM 66 CD1 TYR A 4 3.553 -7.411 13.842 1.00 21.23 C ATOM 67 CD2 TYR A 4 3.050 -5.389 14.996 1.00 73.04 C ATOM 68 CE1 TYR A 4 2.489 -8.036 14.461 1.00 4.50 C ATOM 69 CE2 TYR A 4 1.984 -6.006 15.620 1.00 54.22 C ATOM 70 CZ TYR A 4 1.707 -7.330 15.349 1.00 14.34 C ATOM 71 OH TYR A 4 0.647 -7.952 15.969 1.00 61.34 O ATOM 0 H TYR A 4 6.279 -3.479 14.701 1.00 21.42 H new ATOM 0 HA TYR A 4 6.349 -6.423 14.766 1.00 32.34 H new ATOM 0 HB2 TYR A 4 4.780 -4.348 13.267 1.00 44.23 H new ATOM 0 HB3 TYR A 4 5.143 -5.838 12.419 1.00 44.23 H new ATOM 0 HD1 TYR A 4 4.163 -7.967 13.145 1.00 21.23 H new ATOM 0 HD2 TYR A 4 3.262 -4.352 15.209 1.00 73.04 H new ATOM 0 HE1 TYR A 4 2.271 -9.073 14.250 1.00 4.50 H new ATOM 0 HE2 TYR A 4 1.370 -5.455 16.317 1.00 54.22 H new ATOM 0 HH TYR A 4 0.198 -7.317 16.565 1.00 61.34 H new ATOM 81 N LYS A 5 8.145 -6.728 13.068 1.00 1.52 N ATOM 82 CA LYS A 5 9.209 -6.942 12.086 1.00 24.22 C ATOM 83 C LYS A 5 8.636 -7.458 10.758 1.00 11.03 C ATOM 84 O LYS A 5 7.615 -8.147 10.743 1.00 33.22 O ATOM 85 CB LYS A 5 10.235 -7.948 12.630 1.00 44.45 C ATOM 86 CG LYS A 5 10.919 -7.500 13.918 1.00 20.02 C ATOM 87 CD LYS A 5 11.850 -8.582 14.460 1.00 14.31 C ATOM 88 CE LYS A 5 12.555 -8.140 15.736 1.00 1.24 C ATOM 89 NZ LYS A 5 13.462 -6.985 15.503 1.00 45.01 N ATOM 0 H LYS A 5 7.949 -7.537 13.658 1.00 1.52 H new ATOM 0 HA LYS A 5 9.699 -5.985 11.905 1.00 24.22 H new ATOM 0 HB2 LYS A 5 9.736 -8.900 12.808 1.00 44.45 H new ATOM 0 HB3 LYS A 5 10.995 -8.124 11.869 1.00 44.45 H new ATOM 0 HG2 LYS A 5 11.487 -6.589 13.732 1.00 20.02 H new ATOM 0 HG3 LYS A 5 10.165 -7.258 14.667 1.00 20.02 H new ATOM 0 HD2 LYS A 5 11.277 -9.488 14.657 1.00 14.31 H new ATOM 0 HD3 LYS A 5 12.593 -8.833 13.703 1.00 14.31 H new ATOM 0 HE2 LYS A 5 11.811 -7.871 16.486 1.00 1.24 H new ATOM 0 HE3 LYS A 5 13.128 -8.974 16.141 1.00 1.24 H new ATOM 0 HZ1 LYS A 5 14.045 -6.825 16.349 1.00 45.01 H new ATOM 0 HZ2 LYS A 5 14.079 -7.187 14.691 1.00 45.01 H new ATOM 0 HZ3 LYS A 5 12.897 -6.134 15.306 1.00 45.01 H new ATOM 103 N PRO A 6 9.300 -7.167 9.618 1.00 44.23 N ATOM 104 CA PRO A 6 8.811 -7.607 8.298 1.00 65.22 C ATOM 105 C PRO A 6 8.824 -9.136 8.170 1.00 64.54 C ATOM 106 O PRO A 6 8.136 -9.716 7.335 1.00 3.34 O ATOM 107 CB PRO A 6 9.804 -6.964 7.316 1.00 1.50 C ATOM 108 CG PRO A 6 11.043 -6.738 8.119 1.00 13.45 C ATOM 109 CD PRO A 6 10.575 -6.425 9.518 1.00 65.24 C ATOM 0 HA PRO A 6 7.777 -7.313 8.117 1.00 65.22 H new ATOM 0 HB2 PRO A 6 9.998 -7.617 6.465 1.00 1.50 H new ATOM 0 HB3 PRO A 6 9.415 -6.027 6.917 1.00 1.50 H new ATOM 0 HG2 PRO A 6 11.682 -7.621 8.109 1.00 13.45 H new ATOM 0 HG3 PRO A 6 11.630 -5.915 7.710 1.00 13.45 H new ATOM 0 HD2 PRO A 6 11.294 -6.756 10.267 1.00 65.24 H new ATOM 0 HD3 PRO A 6 10.431 -5.355 9.665 1.00 65.24 H new ATOM 117 N GLU A 7 9.611 -9.772 9.028 1.00 33.24 N ATOM 118 CA GLU A 7 9.754 -11.228 9.054 1.00 53.00 C ATOM 119 C GLU A 7 8.702 -11.873 9.972 1.00 71.22 C ATOM 120 O GLU A 7 8.567 -13.098 10.028 1.00 61.34 O ATOM 121 CB GLU A 7 11.171 -11.557 9.528 1.00 75.51 C ATOM 122 CG GLU A 7 12.243 -10.860 8.693 1.00 23.11 C ATOM 123 CD GLU A 7 13.587 -10.770 9.393 1.00 22.13 C ATOM 124 OE1 GLU A 7 14.329 -11.771 9.403 1.00 10.42 O ATOM 125 OE2 GLU A 7 13.916 -9.684 9.921 1.00 54.34 O ATOM 0 H GLU A 7 10.173 -9.292 9.731 1.00 33.24 H new ATOM 0 HA GLU A 7 9.592 -11.633 8.055 1.00 53.00 H new ATOM 0 HB2 GLU A 7 11.279 -11.262 10.572 1.00 75.51 H new ATOM 0 HB3 GLU A 7 11.324 -12.635 9.484 1.00 75.51 H new ATOM 0 HG2 GLU A 7 12.367 -11.397 7.752 1.00 23.11 H new ATOM 0 HG3 GLU A 7 11.903 -9.855 8.444 1.00 23.11 H new ATOM 132 N ASP A 8 7.966 -11.031 10.695 1.00 3.44 N ATOM 133 CA ASP A 8 6.896 -11.481 11.595 1.00 62.14 C ATOM 134 C ASP A 8 5.506 -11.048 11.095 1.00 4.21 C ATOM 135 O ASP A 8 4.491 -11.301 11.750 1.00 22.12 O ATOM 136 CB ASP A 8 7.150 -10.944 13.005 1.00 33.42 C ATOM 137 CG ASP A 8 8.345 -11.617 13.655 1.00 5.22 C ATOM 138 OD1 ASP A 8 9.494 -11.248 13.340 1.00 24.12 O ATOM 139 OD2 ASP A 8 8.138 -12.541 14.475 1.00 54.34 O ATOM 0 H ASP A 8 8.091 -10.019 10.676 1.00 3.44 H new ATOM 0 HA ASP A 8 6.906 -12.571 11.614 1.00 62.14 H new ATOM 0 HB2 ASP A 8 7.318 -9.868 12.960 1.00 33.42 H new ATOM 0 HB3 ASP A 8 6.264 -11.102 13.620 1.00 33.42 H new ATOM 144 N VAL A 9 5.469 -10.389 9.938 1.00 31.41 N ATOM 145 CA VAL A 9 4.206 -10.022 9.291 1.00 25.33 C ATOM 146 C VAL A 9 3.632 -11.222 8.510 1.00 30.04 C ATOM 147 O VAL A 9 4.355 -11.869 7.745 1.00 11.23 O ATOM 148 CB VAL A 9 4.398 -8.818 8.327 1.00 41.05 C ATOM 149 CG1 VAL A 9 3.081 -8.433 7.653 1.00 24.53 C ATOM 150 CG2 VAL A 9 4.995 -7.624 9.069 1.00 24.15 C ATOM 0 H VAL A 9 6.301 -10.096 9.426 1.00 31.41 H new ATOM 0 HA VAL A 9 3.505 -9.732 10.074 1.00 25.33 H new ATOM 0 HB VAL A 9 5.095 -9.122 7.546 1.00 41.05 H new ATOM 0 HG11 VAL A 9 3.248 -7.588 6.985 1.00 24.53 H new ATOM 0 HG12 VAL A 9 2.704 -9.280 7.080 1.00 24.53 H new ATOM 0 HG13 VAL A 9 2.351 -8.156 8.413 1.00 24.53 H new ATOM 0 HG21 VAL A 9 5.122 -6.792 8.377 1.00 24.15 H new ATOM 0 HG22 VAL A 9 4.326 -7.326 9.876 1.00 24.15 H new ATOM 0 HG23 VAL A 9 5.964 -7.901 9.484 1.00 24.15 H new ATOM 160 N PRO A 10 2.333 -11.543 8.702 1.00 33.12 N ATOM 161 CA PRO A 10 1.673 -12.668 8.006 1.00 52.42 C ATOM 162 C PRO A 10 1.955 -12.698 6.493 1.00 2.05 C ATOM 163 O PRO A 10 1.585 -11.781 5.760 1.00 31.22 O ATOM 164 CB PRO A 10 0.185 -12.415 8.276 1.00 62.30 C ATOM 165 CG PRO A 10 0.168 -11.711 9.590 1.00 10.40 C ATOM 166 CD PRO A 10 1.402 -10.845 9.612 1.00 0.31 C ATOM 0 HA PRO A 10 2.035 -13.632 8.363 1.00 52.42 H new ATOM 0 HB2 PRO A 10 -0.264 -11.806 7.492 1.00 62.30 H new ATOM 0 HB3 PRO A 10 -0.377 -13.348 8.316 1.00 62.30 H new ATOM 0 HG2 PRO A 10 -0.734 -11.108 9.698 1.00 10.40 H new ATOM 0 HG3 PRO A 10 0.176 -12.424 10.415 1.00 10.40 H new ATOM 0 HD2 PRO A 10 1.188 -9.833 9.268 1.00 0.31 H new ATOM 0 HD3 PRO A 10 1.813 -10.759 10.618 1.00 0.31 H new ATOM 174 N ASN A 11 2.615 -13.761 6.034 1.00 74.44 N ATOM 175 CA ASN A 11 2.994 -13.903 4.621 1.00 70.42 C ATOM 176 C ASN A 11 1.765 -14.101 3.709 1.00 21.24 C ATOM 177 O ASN A 11 1.559 -15.177 3.147 1.00 1.25 O ATOM 178 CB ASN A 11 3.989 -15.070 4.458 1.00 25.41 C ATOM 179 CG ASN A 11 3.528 -16.348 5.150 1.00 22.43 C ATOM 180 OD1 ASN A 11 2.340 -16.574 5.345 1.00 24.53 O ATOM 181 ND2 ASN A 11 4.465 -17.194 5.528 1.00 1.40 N ATOM 0 H ASN A 11 2.902 -14.544 6.622 1.00 74.44 H new ATOM 0 HA ASN A 11 3.475 -12.976 4.310 1.00 70.42 H new ATOM 0 HB2 ASN A 11 4.134 -15.270 3.397 1.00 25.41 H new ATOM 0 HB3 ASN A 11 4.957 -14.774 4.862 1.00 25.41 H new ATOM 0 HD21 ASN A 11 4.209 -18.063 5.996 1.00 1.40 H new ATOM 0 HD22 ASN A 11 5.447 -16.980 5.352 1.00 1.40 H new ATOM 188 N VAL A 12 0.962 -13.050 3.538 1.00 13.11 N ATOM 189 CA VAL A 12 -0.291 -13.149 2.774 1.00 53.34 C ATOM 190 C VAL A 12 -0.063 -13.569 1.311 1.00 33.20 C ATOM 191 O VAL A 12 -0.952 -14.132 0.679 1.00 40.32 O ATOM 192 CB VAL A 12 -1.095 -11.828 2.806 1.00 2.21 C ATOM 193 CG1 VAL A 12 -1.502 -11.479 4.237 1.00 1.12 C ATOM 194 CG2 VAL A 12 -0.299 -10.692 2.169 1.00 74.51 C ATOM 0 H VAL A 12 1.152 -12.122 3.915 1.00 13.11 H new ATOM 0 HA VAL A 12 -0.869 -13.930 3.268 1.00 53.34 H new ATOM 0 HB VAL A 12 -2.004 -11.967 2.221 1.00 2.21 H new ATOM 0 HG11 VAL A 12 -2.066 -10.547 4.238 1.00 1.12 H new ATOM 0 HG12 VAL A 12 -2.121 -12.278 4.644 1.00 1.12 H new ATOM 0 HG13 VAL A 12 -0.609 -11.363 4.851 1.00 1.12 H new ATOM 0 HG21 VAL A 12 -0.885 -9.773 2.203 1.00 74.51 H new ATOM 0 HG22 VAL A 12 0.633 -10.549 2.717 1.00 74.51 H new ATOM 0 HG23 VAL A 12 -0.076 -10.941 1.132 1.00 74.51 H new ATOM 204 N GLN A 13 1.123 -13.292 0.773 1.00 25.30 N ATOM 205 CA GLN A 13 1.462 -13.710 -0.597 1.00 75.31 C ATOM 206 C GLN A 13 1.731 -15.223 -0.667 1.00 0.11 C ATOM 207 O GLN A 13 1.570 -15.845 -1.715 1.00 11.13 O ATOM 208 CB GLN A 13 2.681 -12.929 -1.113 1.00 15.30 C ATOM 209 CG GLN A 13 2.473 -11.417 -1.123 1.00 32.22 C ATOM 210 CD GLN A 13 1.335 -10.968 -2.030 1.00 73.01 C ATOM 211 OE1 GLN A 13 0.645 -10.002 -1.741 1.00 52.04 O ATOM 212 NE2 GLN A 13 1.144 -11.646 -3.147 1.00 40.42 N ATOM 0 H GLN A 13 1.864 -12.784 1.256 1.00 25.30 H new ATOM 0 HA GLN A 13 0.606 -13.488 -1.235 1.00 75.31 H new ATOM 0 HB2 GLN A 13 3.544 -13.165 -0.491 1.00 15.30 H new ATOM 0 HB3 GLN A 13 2.916 -13.263 -2.124 1.00 15.30 H new ATOM 0 HG2 GLN A 13 2.272 -11.079 -0.106 1.00 32.22 H new ATOM 0 HG3 GLN A 13 3.396 -10.933 -1.444 1.00 32.22 H new ATOM 0 HE21 GLN A 13 1.735 -12.449 -3.364 1.00 40.42 H new ATOM 0 HE22 GLN A 13 0.406 -11.367 -3.793 1.00 40.42 H new ATOM 221 N LEU A 14 2.130 -15.799 0.464 1.00 15.33 N ATOM 222 CA LEU A 14 2.408 -17.238 0.564 1.00 52.44 C ATOM 223 C LEU A 14 1.166 -18.009 1.056 1.00 52.12 C ATOM 224 O LEU A 14 0.940 -19.161 0.679 1.00 43.21 O ATOM 225 CB LEU A 14 3.616 -17.453 1.503 1.00 15.05 C ATOM 226 CG LEU A 14 4.055 -18.915 1.750 1.00 62.01 C ATOM 227 CD1 LEU A 14 5.550 -18.982 2.063 1.00 54.45 C ATOM 228 CD2 LEU A 14 3.256 -19.546 2.895 1.00 53.23 C ATOM 0 H LEU A 14 2.271 -15.289 1.336 1.00 15.33 H new ATOM 0 HA LEU A 14 2.653 -17.630 -0.423 1.00 52.44 H new ATOM 0 HB2 LEU A 14 4.466 -16.908 1.093 1.00 15.05 H new ATOM 0 HB3 LEU A 14 3.382 -17.001 2.467 1.00 15.05 H new ATOM 0 HG LEU A 14 3.857 -19.479 0.838 1.00 62.01 H new ATOM 0 HD11 LEU A 14 5.840 -20.019 2.234 1.00 54.45 H new ATOM 0 HD12 LEU A 14 6.116 -18.581 1.222 1.00 54.45 H new ATOM 0 HD13 LEU A 14 5.761 -18.394 2.956 1.00 54.45 H new ATOM 0 HD21 LEU A 14 3.586 -20.574 3.046 1.00 53.23 H new ATOM 0 HD22 LEU A 14 3.418 -18.975 3.809 1.00 53.23 H new ATOM 0 HD23 LEU A 14 2.195 -19.539 2.645 1.00 53.23 H new ATOM 240 N ALA A 15 0.366 -17.365 1.903 1.00 4.03 N ATOM 241 CA ALA A 15 -0.862 -17.973 2.434 1.00 45.10 C ATOM 242 C ALA A 15 -2.059 -17.792 1.483 1.00 12.33 C ATOM 243 O ALA A 15 -2.798 -18.738 1.207 1.00 54.03 O ATOM 244 CB ALA A 15 -1.185 -17.377 3.801 1.00 53.14 C ATOM 0 H ALA A 15 0.543 -16.419 2.240 1.00 4.03 H new ATOM 0 HA ALA A 15 -0.684 -19.044 2.531 1.00 45.10 H new ATOM 0 HB1 ALA A 15 -2.096 -17.831 4.190 1.00 53.14 H new ATOM 0 HB2 ALA A 15 -0.361 -17.572 4.487 1.00 53.14 H new ATOM 0 HB3 ALA A 15 -1.329 -16.301 3.704 1.00 53.14 H new ATOM 250 N ASP A 16 -2.253 -16.570 0.992 1.00 73.44 N ATOM 251 CA ASP A 16 -3.398 -16.253 0.125 1.00 4.10 C ATOM 252 C ASP A 16 -2.992 -16.069 -1.345 1.00 61.11 C ATOM 253 O ASP A 16 -3.423 -16.825 -2.211 1.00 3.21 O ATOM 254 CB ASP A 16 -4.089 -14.974 0.613 1.00 51.21 C ATOM 255 CG ASP A 16 -4.713 -15.135 1.982 1.00 52.44 C ATOM 256 OD1 ASP A 16 -5.830 -15.675 2.066 1.00 4.14 O ATOM 257 OD2 ASP A 16 -4.107 -14.703 2.978 1.00 22.10 O ATOM 0 H ASP A 16 -1.635 -15.780 1.177 1.00 73.44 H new ATOM 0 HA ASP A 16 -4.079 -17.102 0.182 1.00 4.10 H new ATOM 0 HB2 ASP A 16 -3.363 -14.162 0.642 1.00 51.21 H new ATOM 0 HB3 ASP A 16 -4.860 -14.687 -0.102 1.00 51.21 H new ATOM 262 N SER A 17 -2.200 -15.017 -1.608 1.00 70.13 N ATOM 263 CA SER A 17 -1.844 -14.569 -2.976 1.00 43.25 C ATOM 264 C SER A 17 -3.082 -14.143 -3.788 1.00 13.23 C ATOM 265 O SER A 17 -2.967 -13.721 -4.939 1.00 22.32 O ATOM 266 CB SER A 17 -1.043 -15.635 -3.749 1.00 74.05 C ATOM 267 OG SER A 17 -1.856 -16.723 -4.163 1.00 74.22 O ATOM 0 H SER A 17 -1.782 -14.444 -0.875 1.00 70.13 H new ATOM 0 HA SER A 17 -1.206 -13.695 -2.847 1.00 43.25 H new ATOM 0 HB2 SER A 17 -0.581 -15.176 -4.623 1.00 74.05 H new ATOM 0 HB3 SER A 17 -0.235 -16.007 -3.119 1.00 74.05 H new ATOM 0 HG SER A 17 -2.672 -16.747 -3.621 1.00 74.22 H new ATOM 273 N THR A 18 -4.259 -14.220 -3.162 1.00 43.04 N ATOM 274 CA THR A 18 -5.530 -13.853 -3.810 1.00 31.44 C ATOM 275 C THR A 18 -6.122 -12.564 -3.210 1.00 63.22 C ATOM 276 O THR A 18 -6.705 -11.751 -3.923 1.00 20.21 O ATOM 277 CB THR A 18 -6.571 -14.999 -3.697 1.00 11.33 C ATOM 278 OG1 THR A 18 -7.828 -14.602 -4.276 1.00 53.42 O ATOM 279 CG2 THR A 18 -6.784 -15.413 -2.243 1.00 70.44 C ATOM 0 H THR A 18 -4.363 -14.536 -2.198 1.00 43.04 H new ATOM 0 HA THR A 18 -5.306 -13.678 -4.862 1.00 31.44 H new ATOM 0 HB THR A 18 -6.177 -15.854 -4.247 1.00 11.33 H new ATOM 0 HG1 THR A 18 -8.471 -15.337 -4.197 1.00 53.42 H new ATOM 0 HG21 THR A 18 -7.518 -16.217 -2.198 1.00 70.44 H new ATOM 0 HG22 THR A 18 -5.840 -15.759 -1.821 1.00 70.44 H new ATOM 0 HG23 THR A 18 -7.146 -14.559 -1.671 1.00 70.44 H new ATOM 287 N ARG A 19 -5.969 -12.383 -1.891 1.00 40.41 N ATOM 288 CA ARG A 19 -6.431 -11.158 -1.213 1.00 64.44 C ATOM 289 C ARG A 19 -5.361 -10.054 -1.246 1.00 3.52 C ATOM 290 O ARG A 19 -5.646 -8.910 -1.593 1.00 30.42 O ATOM 291 CB ARG A 19 -6.797 -11.454 0.250 1.00 44.11 C ATOM 292 CG ARG A 19 -7.932 -12.456 0.428 1.00 32.14 C ATOM 293 CD ARG A 19 -8.299 -12.621 1.900 1.00 61.34 C ATOM 294 NE ARG A 19 -7.154 -13.055 2.700 1.00 15.11 N ATOM 295 CZ ARG A 19 -6.876 -12.619 3.899 1.00 0.43 C ATOM 296 NH1 ARG A 19 -7.622 -11.735 4.476 1.00 63.14 N ATOM 297 NH2 ARG A 19 -5.830 -13.063 4.513 1.00 31.05 N ATOM 0 H ARG A 19 -5.531 -13.065 -1.272 1.00 40.41 H new ATOM 0 HA ARG A 19 -7.312 -10.809 -1.751 1.00 64.44 H new ATOM 0 HB2 ARG A 19 -5.913 -11.831 0.763 1.00 44.11 H new ATOM 0 HB3 ARG A 19 -7.074 -10.520 0.738 1.00 44.11 H new ATOM 0 HG2 ARG A 19 -8.806 -12.122 -0.132 1.00 32.14 H new ATOM 0 HG3 ARG A 19 -7.637 -13.420 0.014 1.00 32.14 H new ATOM 0 HD2 ARG A 19 -8.676 -11.675 2.289 1.00 61.34 H new ATOM 0 HD3 ARG A 19 -9.105 -13.349 1.994 1.00 61.34 H new ATOM 0 HE ARG A 19 -6.527 -13.748 2.292 1.00 15.11 H new ATOM 0 HH11 ARG A 19 -8.442 -11.367 3.994 1.00 63.14 H new ATOM 0 HH12 ARG A 19 -7.390 -11.405 5.413 1.00 63.14 H new ATOM 0 HH21 ARG A 19 -5.227 -13.750 4.061 1.00 31.05 H new ATOM 0 HH22 ARG A 19 -5.607 -12.726 5.450 1.00 31.05 H new ATOM 311 N LEU A 20 -4.130 -10.419 -0.865 1.00 61.21 N ATOM 312 CA LEU A 20 -2.991 -9.481 -0.799 1.00 34.40 C ATOM 313 C LEU A 20 -3.195 -8.390 0.280 1.00 61.33 C ATOM 314 O LEU A 20 -2.467 -7.397 0.326 1.00 71.34 O ATOM 315 CB LEU A 20 -2.711 -8.839 -2.175 1.00 21.20 C ATOM 316 CG LEU A 20 -2.276 -9.815 -3.296 1.00 74.23 C ATOM 317 CD1 LEU A 20 -3.476 -10.516 -3.930 1.00 1.14 C ATOM 318 CD2 LEU A 20 -1.452 -9.093 -4.356 1.00 74.14 C ATOM 0 H LEU A 20 -3.891 -11.372 -0.593 1.00 61.21 H new ATOM 0 HA LEU A 20 -2.119 -10.068 -0.510 1.00 34.40 H new ATOM 0 HB2 LEU A 20 -3.611 -8.317 -2.502 1.00 21.20 H new ATOM 0 HB3 LEU A 20 -1.933 -8.086 -2.052 1.00 21.20 H new ATOM 0 HG LEU A 20 -1.651 -10.581 -2.837 1.00 74.23 H new ATOM 0 HD11 LEU A 20 -3.131 -11.192 -4.712 1.00 1.14 H new ATOM 0 HD12 LEU A 20 -4.010 -11.084 -3.168 1.00 1.14 H new ATOM 0 HD13 LEU A 20 -4.145 -9.772 -4.363 1.00 1.14 H new ATOM 0 HD21 LEU A 20 -1.158 -9.800 -5.132 1.00 74.14 H new ATOM 0 HD22 LEU A 20 -2.048 -8.295 -4.798 1.00 74.14 H new ATOM 0 HD23 LEU A 20 -0.560 -8.668 -3.896 1.00 74.14 H new ATOM 330 N VAL A 21 -4.173 -8.603 1.161 1.00 73.24 N ATOM 331 CA VAL A 21 -4.468 -7.668 2.255 1.00 44.44 C ATOM 332 C VAL A 21 -3.916 -8.175 3.600 1.00 13.32 C ATOM 333 O VAL A 21 -4.174 -9.312 4.005 1.00 52.00 O ATOM 334 CB VAL A 21 -5.997 -7.436 2.381 1.00 73.51 C ATOM 335 CG1 VAL A 21 -6.343 -6.676 3.662 1.00 63.45 C ATOM 336 CG2 VAL A 21 -6.528 -6.693 1.155 1.00 53.01 C ATOM 0 H VAL A 21 -4.781 -9.422 1.140 1.00 73.24 H new ATOM 0 HA VAL A 21 -3.976 -6.726 2.013 1.00 44.44 H new ATOM 0 HB VAL A 21 -6.479 -8.412 2.434 1.00 73.51 H new ATOM 0 HG11 VAL A 21 -7.422 -6.531 3.719 1.00 63.45 H new ATOM 0 HG12 VAL A 21 -6.008 -7.249 4.527 1.00 63.45 H new ATOM 0 HG13 VAL A 21 -5.846 -5.706 3.655 1.00 63.45 H new ATOM 0 HG21 VAL A 21 -7.602 -6.539 1.260 1.00 53.01 H new ATOM 0 HG22 VAL A 21 -6.029 -5.728 1.070 1.00 53.01 H new ATOM 0 HG23 VAL A 21 -6.332 -7.282 0.259 1.00 53.01 H new ATOM 346 N THR A 22 -3.167 -7.314 4.294 1.00 13.43 N ATOM 347 CA THR A 22 -2.556 -7.662 5.589 1.00 65.42 C ATOM 348 C THR A 22 -2.863 -6.587 6.649 1.00 11.53 C ATOM 349 O THR A 22 -2.390 -5.453 6.547 1.00 22.53 O ATOM 350 CB THR A 22 -1.014 -7.809 5.458 1.00 43.32 C ATOM 351 OG1 THR A 22 -0.676 -8.336 4.166 1.00 64.22 O ATOM 352 CG2 THR A 22 -0.452 -8.734 6.529 1.00 11.31 C ATOM 0 H THR A 22 -2.966 -6.364 3.982 1.00 13.43 H new ATOM 0 HA THR A 22 -2.985 -8.614 5.901 1.00 65.42 H new ATOM 0 HB THR A 22 -0.578 -6.818 5.584 1.00 43.32 H new ATOM 0 HG1 THR A 22 -0.775 -7.633 3.490 1.00 64.22 H new ATOM 0 HG21 THR A 22 0.628 -8.815 6.409 1.00 11.31 H new ATOM 0 HG22 THR A 22 -0.678 -8.329 7.515 1.00 11.31 H new ATOM 0 HG23 THR A 22 -0.903 -9.721 6.430 1.00 11.31 H new ATOM 360 N ASP A 23 -3.660 -6.937 7.659 1.00 12.04 N ATOM 361 CA ASP A 23 -4.060 -5.978 8.699 1.00 44.22 C ATOM 362 C ASP A 23 -3.696 -6.477 10.112 1.00 15.31 C ATOM 363 O ASP A 23 -4.370 -7.350 10.673 1.00 65.22 O ATOM 364 CB ASP A 23 -5.568 -5.692 8.598 1.00 24.42 C ATOM 365 CG ASP A 23 -6.056 -4.717 9.660 1.00 2.11 C ATOM 366 OD1 ASP A 23 -5.799 -3.500 9.527 1.00 52.33 O ATOM 367 OD2 ASP A 23 -6.691 -5.163 10.639 1.00 54.11 O ATOM 0 H ASP A 23 -4.043 -7.874 7.782 1.00 12.04 H new ATOM 0 HA ASP A 23 -3.507 -5.054 8.531 1.00 44.22 H new ATOM 0 HB2 ASP A 23 -5.791 -5.288 7.611 1.00 24.42 H new ATOM 0 HB3 ASP A 23 -6.118 -6.629 8.691 1.00 24.42 H new ATOM 372 N GLU A 24 -2.612 -5.932 10.671 1.00 35.25 N ATOM 373 CA GLU A 24 -2.221 -6.212 12.063 1.00 65.32 C ATOM 374 C GLU A 24 -2.589 -5.041 12.983 1.00 74.24 C ATOM 375 O GLU A 24 -3.011 -5.241 14.125 1.00 23.11 O ATOM 376 CB GLU A 24 -0.709 -6.486 12.171 1.00 32.44 C ATOM 377 CG GLU A 24 -0.259 -7.816 11.573 1.00 51.32 C ATOM 378 CD GLU A 24 -0.592 -7.952 10.097 1.00 15.50 C ATOM 379 OE1 GLU A 24 0.004 -7.219 9.286 1.00 43.52 O ATOM 380 OE2 GLU A 24 -1.452 -8.795 9.752 1.00 23.44 O ATOM 0 H GLU A 24 -1.986 -5.292 10.183 1.00 35.25 H new ATOM 0 HA GLU A 24 -2.767 -7.101 12.379 1.00 65.32 H new ATOM 0 HB2 GLU A 24 -0.171 -5.679 11.674 1.00 32.44 H new ATOM 0 HB3 GLU A 24 -0.423 -6.460 13.222 1.00 32.44 H new ATOM 0 HG2 GLU A 24 0.818 -7.922 11.707 1.00 51.32 H new ATOM 0 HG3 GLU A 24 -0.730 -8.632 12.122 1.00 51.32 H new ATOM 387 N ALA A 25 -2.413 -3.817 12.482 1.00 13.32 N ATOM 388 CA ALA A 25 -2.728 -2.598 13.244 1.00 24.43 C ATOM 389 C ALA A 25 -4.225 -2.463 13.574 1.00 43.11 C ATOM 390 O ALA A 25 -4.600 -1.730 14.490 1.00 34.12 O ATOM 391 CB ALA A 25 -2.258 -1.371 12.471 1.00 2.53 C ATOM 0 H ALA A 25 -2.051 -3.639 11.545 1.00 13.32 H new ATOM 0 HA ALA A 25 -2.200 -2.673 14.194 1.00 24.43 H new ATOM 0 HB1 ALA A 25 -2.493 -0.471 13.039 1.00 2.53 H new ATOM 0 HB2 ALA A 25 -1.181 -1.430 12.315 1.00 2.53 H new ATOM 0 HB3 ALA A 25 -2.763 -1.333 11.506 1.00 2.53 H new ATOM 397 N GLY A 26 -5.078 -3.154 12.821 1.00 12.33 N ATOM 398 CA GLY A 26 -6.522 -3.053 13.035 1.00 22.31 C ATOM 399 C GLY A 26 -7.114 -1.774 12.456 1.00 52.25 C ATOM 400 O GLY A 26 -8.004 -1.161 13.049 1.00 62.13 O ATOM 0 H GLY A 26 -4.801 -3.782 12.067 1.00 12.33 H new ATOM 0 HA2 GLY A 26 -7.013 -3.914 12.582 1.00 22.31 H new ATOM 0 HA3 GLY A 26 -6.730 -3.094 14.104 1.00 22.31 H new ATOM 404 N LEU A 27 -6.621 -1.374 11.291 1.00 73.30 N ATOM 405 CA LEU A 27 -7.058 -0.132 10.647 1.00 4.12 C ATOM 406 C LEU A 27 -8.069 -0.408 9.528 1.00 52.02 C ATOM 407 O LEU A 27 -8.926 0.427 9.234 1.00 13.13 O ATOM 408 CB LEU A 27 -5.844 0.628 10.098 1.00 51.55 C ATOM 409 CG LEU A 27 -4.814 1.059 11.158 1.00 61.22 C ATOM 410 CD1 LEU A 27 -3.624 1.761 10.509 1.00 4.13 C ATOM 411 CD2 LEU A 27 -5.467 1.960 12.209 1.00 32.50 C ATOM 0 H LEU A 27 -5.915 -1.891 10.767 1.00 73.30 H new ATOM 0 HA LEU A 27 -7.555 0.483 11.397 1.00 4.12 H new ATOM 0 HB2 LEU A 27 -5.344 -0.000 9.361 1.00 51.55 H new ATOM 0 HB3 LEU A 27 -6.197 1.516 9.573 1.00 51.55 H new ATOM 0 HG LEU A 27 -4.445 0.162 11.656 1.00 61.22 H new ATOM 0 HD11 LEU A 27 -2.911 2.055 11.279 1.00 4.13 H new ATOM 0 HD12 LEU A 27 -3.140 1.082 9.807 1.00 4.13 H new ATOM 0 HD13 LEU A 27 -3.970 2.647 9.977 1.00 4.13 H new ATOM 0 HD21 LEU A 27 -4.723 2.254 12.949 1.00 32.50 H new ATOM 0 HD22 LEU A 27 -5.869 2.850 11.726 1.00 32.50 H new ATOM 0 HD23 LEU A 27 -6.274 1.418 12.702 1.00 32.50 H new ATOM 423 N LEU A 28 -7.973 -1.584 8.916 1.00 75.11 N ATOM 424 CA LEU A 28 -8.894 -1.982 7.846 1.00 55.11 C ATOM 425 C LEU A 28 -10.007 -2.902 8.379 1.00 32.21 C ATOM 426 O LEU A 28 -9.760 -4.060 8.711 1.00 15.33 O ATOM 427 CB LEU A 28 -8.123 -2.697 6.725 1.00 70.55 C ATOM 428 CG LEU A 28 -7.019 -1.865 6.046 1.00 13.32 C ATOM 429 CD1 LEU A 28 -6.278 -2.701 5.004 1.00 3.13 C ATOM 430 CD2 LEU A 28 -7.604 -0.604 5.410 1.00 74.00 C ATOM 0 H LEU A 28 -7.265 -2.283 9.141 1.00 75.11 H new ATOM 0 HA LEU A 28 -9.358 -1.078 7.451 1.00 55.11 H new ATOM 0 HB2 LEU A 28 -7.672 -3.600 7.136 1.00 70.55 H new ATOM 0 HB3 LEU A 28 -8.835 -3.015 5.963 1.00 70.55 H new ATOM 0 HG LEU A 28 -6.304 -1.560 6.810 1.00 13.32 H new ATOM 0 HD11 LEU A 28 -5.502 -2.095 4.536 1.00 3.13 H new ATOM 0 HD12 LEU A 28 -5.821 -3.564 5.488 1.00 3.13 H new ATOM 0 HD13 LEU A 28 -6.981 -3.041 4.244 1.00 3.13 H new ATOM 0 HD21 LEU A 28 -6.806 -0.032 4.936 1.00 74.00 H new ATOM 0 HD22 LEU A 28 -8.344 -0.884 4.660 1.00 74.00 H new ATOM 0 HD23 LEU A 28 -8.079 0.004 6.179 1.00 74.00 H new ATOM 442 N SER A 29 -11.228 -2.377 8.477 1.00 72.22 N ATOM 443 CA SER A 29 -12.384 -3.191 8.889 1.00 44.15 C ATOM 444 C SER A 29 -12.831 -4.119 7.755 1.00 21.24 C ATOM 445 O SER A 29 -12.524 -3.872 6.591 1.00 70.23 O ATOM 446 CB SER A 29 -13.556 -2.299 9.317 1.00 24.31 C ATOM 447 OG SER A 29 -14.684 -3.079 9.692 1.00 62.13 O ATOM 0 H SER A 29 -11.447 -1.401 8.280 1.00 72.22 H new ATOM 0 HA SER A 29 -12.073 -3.798 9.739 1.00 44.15 H new ATOM 0 HB2 SER A 29 -13.251 -1.670 10.153 1.00 24.31 H new ATOM 0 HB3 SER A 29 -13.827 -1.632 8.498 1.00 24.31 H new ATOM 0 HG SER A 29 -15.416 -2.486 9.962 1.00 62.13 H new ATOM 453 N ASN A 30 -13.580 -5.171 8.098 1.00 15.15 N ATOM 454 CA ASN A 30 -14.028 -6.179 7.117 1.00 44.51 C ATOM 455 C ASN A 30 -14.600 -5.548 5.835 1.00 2.40 C ATOM 456 O ASN A 30 -14.405 -6.077 4.741 1.00 13.24 O ATOM 457 CB ASN A 30 -15.072 -7.106 7.744 1.00 74.50 C ATOM 458 CG ASN A 30 -14.522 -7.920 8.902 1.00 52.33 C ATOM 459 OD1 ASN A 30 -15.241 -8.241 9.843 1.00 40.22 O ATOM 460 ND2 ASN A 30 -13.252 -8.272 8.845 1.00 74.42 N ATOM 0 H ASN A 30 -13.893 -5.352 9.052 1.00 15.15 H new ATOM 0 HA ASN A 30 -13.145 -6.752 6.833 1.00 44.51 H new ATOM 0 HB2 ASN A 30 -15.916 -6.511 8.094 1.00 74.50 H new ATOM 0 HB3 ASN A 30 -15.454 -7.783 6.980 1.00 74.50 H new ATOM 0 HD21 ASN A 30 -12.842 -8.826 9.597 1.00 74.42 H new ATOM 0 HD22 ASN A 30 -12.680 -7.990 8.049 1.00 74.42 H new ATOM 467 N ALA A 31 -15.300 -4.422 5.977 1.00 10.51 N ATOM 468 CA ALA A 31 -15.839 -3.686 4.825 1.00 25.25 C ATOM 469 C ALA A 31 -14.712 -3.160 3.920 1.00 13.24 C ATOM 470 O ALA A 31 -14.705 -3.401 2.712 1.00 40.33 O ATOM 471 CB ALA A 31 -16.719 -2.534 5.298 1.00 25.12 C ATOM 0 H ALA A 31 -15.509 -3.996 6.880 1.00 10.51 H new ATOM 0 HA ALA A 31 -16.444 -4.377 4.239 1.00 25.25 H new ATOM 0 HB1 ALA A 31 -17.111 -1.998 4.434 1.00 25.12 H new ATOM 0 HB2 ALA A 31 -17.547 -2.927 5.888 1.00 25.12 H new ATOM 0 HB3 ALA A 31 -16.128 -1.853 5.911 1.00 25.12 H new ATOM 477 N GLN A 32 -13.750 -2.455 4.519 1.00 23.43 N ATOM 478 CA GLN A 32 -12.596 -1.937 3.775 1.00 52.34 C ATOM 479 C GLN A 32 -11.776 -3.087 3.174 1.00 3.42 C ATOM 480 O GLN A 32 -11.312 -3.006 2.039 1.00 52.31 O ATOM 481 CB GLN A 32 -11.709 -1.072 4.687 1.00 41.34 C ATOM 482 CG GLN A 32 -12.414 0.152 5.268 1.00 23.41 C ATOM 483 CD GLN A 32 -12.967 1.085 4.200 1.00 63.32 C ATOM 484 OE1 GLN A 32 -14.111 0.959 3.778 1.00 43.11 O ATOM 485 NE2 GLN A 32 -12.159 2.026 3.745 1.00 61.23 N ATOM 0 H GLN A 32 -13.745 -2.229 5.514 1.00 23.43 H new ATOM 0 HA GLN A 32 -12.969 -1.316 2.961 1.00 52.34 H new ATOM 0 HB2 GLN A 32 -11.340 -1.688 5.507 1.00 41.34 H new ATOM 0 HB3 GLN A 32 -10.838 -0.741 4.121 1.00 41.34 H new ATOM 0 HG2 GLN A 32 -13.229 -0.177 5.912 1.00 23.41 H new ATOM 0 HG3 GLN A 32 -11.714 0.703 5.896 1.00 23.41 H new ATOM 0 HE21 GLN A 32 -11.212 2.107 4.115 1.00 61.23 H new ATOM 0 HE22 GLN A 32 -12.482 2.671 3.024 1.00 61.23 H new ATOM 494 N GLU A 33 -11.608 -4.161 3.951 1.00 35.10 N ATOM 495 CA GLU A 33 -10.949 -5.379 3.464 1.00 12.15 C ATOM 496 C GLU A 33 -11.682 -5.945 2.239 1.00 72.33 C ATOM 497 O GLU A 33 -11.061 -6.315 1.248 1.00 65.35 O ATOM 498 CB GLU A 33 -10.903 -6.451 4.567 1.00 21.43 C ATOM 499 CG GLU A 33 -10.101 -6.055 5.804 1.00 25.45 C ATOM 500 CD GLU A 33 -10.052 -7.167 6.848 1.00 70.40 C ATOM 501 OE1 GLU A 33 -9.183 -8.059 6.735 1.00 33.42 O ATOM 502 OE2 GLU A 33 -10.894 -7.166 7.777 1.00 21.02 O ATOM 0 H GLU A 33 -11.919 -4.213 4.921 1.00 35.10 H new ATOM 0 HA GLU A 33 -9.931 -5.112 3.179 1.00 12.15 H new ATOM 0 HB2 GLU A 33 -11.923 -6.685 4.871 1.00 21.43 H new ATOM 0 HB3 GLU A 33 -10.477 -7.364 4.151 1.00 21.43 H new ATOM 0 HG2 GLU A 33 -9.085 -5.795 5.507 1.00 25.45 H new ATOM 0 HG3 GLU A 33 -10.541 -5.163 6.249 1.00 25.45 H new ATOM 509 N GLU A 34 -13.011 -5.992 2.319 1.00 61.45 N ATOM 510 CA GLU A 34 -13.847 -6.509 1.228 1.00 73.22 C ATOM 511 C GLU A 34 -13.606 -5.726 -0.074 1.00 45.31 C ATOM 512 O GLU A 34 -13.321 -6.308 -1.126 1.00 2.45 O ATOM 513 CB GLU A 34 -15.330 -6.427 1.633 1.00 61.22 C ATOM 514 CG GLU A 34 -16.298 -7.053 0.630 1.00 34.12 C ATOM 515 CD GLU A 34 -16.102 -8.553 0.481 1.00 10.51 C ATOM 516 OE1 GLU A 34 -16.316 -9.285 1.473 1.00 31.12 O ATOM 517 OE2 GLU A 34 -15.727 -9.008 -0.619 1.00 75.24 O ATOM 0 H GLU A 34 -13.538 -5.677 3.133 1.00 61.45 H new ATOM 0 HA GLU A 34 -13.577 -7.549 1.046 1.00 73.22 H new ATOM 0 HB2 GLU A 34 -15.458 -6.919 2.597 1.00 61.22 H new ATOM 0 HB3 GLU A 34 -15.598 -5.380 1.772 1.00 61.22 H new ATOM 0 HG2 GLU A 34 -17.322 -6.855 0.947 1.00 34.12 H new ATOM 0 HG3 GLU A 34 -16.167 -6.576 -0.341 1.00 34.12 H new ATOM 524 N VAL A 35 -13.708 -4.402 0.009 1.00 44.03 N ATOM 525 CA VAL A 35 -13.478 -3.531 -1.147 1.00 45.34 C ATOM 526 C VAL A 35 -12.025 -3.626 -1.649 1.00 40.32 C ATOM 527 O VAL A 35 -11.777 -3.758 -2.850 1.00 63.45 O ATOM 528 CB VAL A 35 -13.804 -2.053 -0.811 1.00 64.02 C ATOM 529 CG1 VAL A 35 -13.607 -1.156 -2.035 1.00 10.14 C ATOM 530 CG2 VAL A 35 -15.227 -1.925 -0.261 1.00 4.04 C ATOM 0 H VAL A 35 -13.949 -3.905 0.866 1.00 44.03 H new ATOM 0 HA VAL A 35 -14.147 -3.876 -1.936 1.00 45.34 H new ATOM 0 HB VAL A 35 -13.110 -1.720 -0.039 1.00 64.02 H new ATOM 0 HG11 VAL A 35 -13.842 -0.125 -1.772 1.00 10.14 H new ATOM 0 HG12 VAL A 35 -12.571 -1.218 -2.369 1.00 10.14 H new ATOM 0 HG13 VAL A 35 -14.267 -1.485 -2.838 1.00 10.14 H new ATOM 0 HG21 VAL A 35 -15.436 -0.880 -0.032 1.00 4.04 H new ATOM 0 HG22 VAL A 35 -15.938 -2.282 -1.006 1.00 4.04 H new ATOM 0 HG23 VAL A 35 -15.321 -2.522 0.646 1.00 4.04 H new ATOM 540 N MET A 36 -11.069 -3.575 -0.719 1.00 55.34 N ATOM 541 CA MET A 36 -9.643 -3.621 -1.065 1.00 51.44 C ATOM 542 C MET A 36 -9.273 -4.952 -1.743 1.00 75.03 C ATOM 543 O MET A 36 -8.567 -4.959 -2.750 1.00 23.02 O ATOM 544 CB MET A 36 -8.776 -3.377 0.182 1.00 5.14 C ATOM 545 CG MET A 36 -7.280 -3.312 -0.102 1.00 15.43 C ATOM 546 SD MET A 36 -6.336 -2.663 1.293 1.00 54.41 S ATOM 547 CE MET A 36 -6.945 -0.978 1.362 1.00 61.13 C ATOM 0 H MET A 36 -11.255 -3.502 0.281 1.00 55.34 H new ATOM 0 HA MET A 36 -9.445 -2.823 -1.781 1.00 51.44 H new ATOM 0 HB2 MET A 36 -9.087 -2.443 0.650 1.00 5.14 H new ATOM 0 HB3 MET A 36 -8.964 -4.173 0.903 1.00 5.14 H new ATOM 0 HG2 MET A 36 -6.917 -4.310 -0.349 1.00 15.43 H new ATOM 0 HG3 MET A 36 -7.107 -2.685 -0.976 1.00 15.43 H new ATOM 0 HE1 MET A 36 -6.103 -0.286 1.363 1.00 61.13 H new ATOM 0 HE2 MET A 36 -7.574 -0.783 0.493 1.00 61.13 H new ATOM 0 HE3 MET A 36 -7.529 -0.839 2.272 1.00 61.13 H new ATOM 557 N ASN A 37 -9.765 -6.069 -1.197 1.00 72.45 N ATOM 558 CA ASN A 37 -9.598 -7.389 -1.832 1.00 33.51 C ATOM 559 C ASN A 37 -10.094 -7.358 -3.283 1.00 64.23 C ATOM 560 O ASN A 37 -9.410 -7.810 -4.199 1.00 13.25 O ATOM 561 CB ASN A 37 -10.368 -8.473 -1.057 1.00 54.13 C ATOM 562 CG ASN A 37 -9.735 -8.812 0.279 1.00 12.12 C ATOM 563 OD1 ASN A 37 -8.525 -8.773 0.433 1.00 34.03 O ATOM 564 ND2 ASN A 37 -10.549 -9.160 1.254 1.00 14.42 N ATOM 0 H ASN A 37 -10.282 -6.090 -0.318 1.00 72.45 H new ATOM 0 HA ASN A 37 -8.535 -7.629 -1.819 1.00 33.51 H new ATOM 0 HB2 ASN A 37 -11.391 -8.136 -0.892 1.00 54.13 H new ATOM 0 HB3 ASN A 37 -10.424 -9.376 -1.665 1.00 54.13 H new ATOM 0 HD21 ASN A 37 -10.172 -9.407 2.169 1.00 14.42 H new ATOM 0 HD22 ASN A 37 -11.556 -9.183 1.094 1.00 14.42 H new ATOM 571 N GLY A 38 -11.289 -6.805 -3.479 1.00 10.15 N ATOM 572 CA GLY A 38 -11.856 -6.697 -4.814 1.00 34.22 C ATOM 573 C GLY A 38 -11.014 -5.835 -5.755 1.00 34.41 C ATOM 574 O GLY A 38 -10.919 -6.122 -6.950 1.00 33.51 O ATOM 0 H GLY A 38 -11.876 -6.429 -2.735 1.00 10.15 H new ATOM 0 HA2 GLY A 38 -11.960 -7.695 -5.240 1.00 34.22 H new ATOM 0 HA3 GLY A 38 -12.858 -6.275 -4.744 1.00 34.22 H new ATOM 578 N ARG A 39 -10.409 -4.774 -5.220 1.00 22.43 N ATOM 579 CA ARG A 39 -9.511 -3.921 -6.008 1.00 74.24 C ATOM 580 C ARG A 39 -8.231 -4.679 -6.403 1.00 71.33 C ATOM 581 O ARG A 39 -7.917 -4.812 -7.584 1.00 21.02 O ATOM 582 CB ARG A 39 -9.125 -2.662 -5.214 1.00 61.30 C ATOM 583 CG ARG A 39 -10.284 -1.719 -4.883 1.00 13.33 C ATOM 584 CD ARG A 39 -10.930 -1.125 -6.134 1.00 33.30 C ATOM 585 NE ARG A 39 -11.916 -2.020 -6.732 1.00 74.22 N ATOM 586 CZ ARG A 39 -12.201 -2.060 -8.004 1.00 62.23 C ATOM 587 NH1 ARG A 39 -11.535 -1.344 -8.853 1.00 70.42 N ATOM 588 NH2 ARG A 39 -13.149 -2.828 -8.425 1.00 53.34 N ATOM 0 H ARG A 39 -10.522 -4.483 -4.249 1.00 22.43 H new ATOM 0 HA ARG A 39 -10.046 -3.632 -6.913 1.00 74.24 H new ATOM 0 HB2 ARG A 39 -8.651 -2.971 -4.282 1.00 61.30 H new ATOM 0 HB3 ARG A 39 -8.378 -2.108 -5.783 1.00 61.30 H new ATOM 0 HG2 ARG A 39 -11.037 -2.261 -4.311 1.00 13.33 H new ATOM 0 HG3 ARG A 39 -9.921 -0.912 -4.247 1.00 13.33 H new ATOM 0 HD2 ARG A 39 -11.410 -0.180 -5.878 1.00 33.30 H new ATOM 0 HD3 ARG A 39 -10.156 -0.901 -6.867 1.00 33.30 H new ATOM 0 HE ARG A 39 -12.416 -2.658 -6.113 1.00 74.22 H new ATOM 0 HH11 ARG A 39 -10.779 -0.741 -8.529 1.00 70.42 H new ATOM 0 HH12 ARG A 39 -11.767 -1.383 -9.846 1.00 70.42 H new ATOM 0 HH21 ARG A 39 -13.673 -3.401 -7.764 1.00 53.34 H new ATOM 0 HH22 ARG A 39 -13.375 -2.862 -9.419 1.00 53.34 H new ATOM 602 N LEU A 40 -7.522 -5.201 -5.399 1.00 53.04 N ATOM 603 CA LEU A 40 -6.229 -5.872 -5.612 1.00 50.21 C ATOM 604 C LEU A 40 -6.375 -7.122 -6.490 1.00 30.11 C ATOM 605 O LEU A 40 -5.615 -7.324 -7.441 1.00 63.23 O ATOM 606 CB LEU A 40 -5.602 -6.251 -4.261 1.00 25.32 C ATOM 607 CG LEU A 40 -5.375 -5.078 -3.293 1.00 32.43 C ATOM 608 CD1 LEU A 40 -4.770 -5.567 -1.979 1.00 11.41 C ATOM 609 CD2 LEU A 40 -4.488 -4.011 -3.933 1.00 33.41 C ATOM 0 H LEU A 40 -7.820 -5.173 -4.424 1.00 53.04 H new ATOM 0 HA LEU A 40 -5.576 -5.173 -6.134 1.00 50.21 H new ATOM 0 HB2 LEU A 40 -6.244 -6.985 -3.773 1.00 25.32 H new ATOM 0 HB3 LEU A 40 -4.645 -6.739 -4.447 1.00 25.32 H new ATOM 0 HG LEU A 40 -6.343 -4.629 -3.074 1.00 32.43 H new ATOM 0 HD11 LEU A 40 -4.619 -4.719 -1.311 1.00 11.41 H new ATOM 0 HD12 LEU A 40 -5.446 -6.282 -1.511 1.00 11.41 H new ATOM 0 HD13 LEU A 40 -3.812 -6.049 -2.176 1.00 11.41 H new ATOM 0 HD21 LEU A 40 -4.341 -3.191 -3.230 1.00 33.41 H new ATOM 0 HD22 LEU A 40 -3.522 -4.447 -4.190 1.00 33.41 H new ATOM 0 HD23 LEU A 40 -4.967 -3.633 -4.836 1.00 33.41 H new ATOM 621 N ARG A 41 -7.362 -7.953 -6.169 1.00 3.12 N ATOM 622 CA ARG A 41 -7.638 -9.168 -6.938 1.00 44.11 C ATOM 623 C ARG A 41 -7.939 -8.838 -8.410 1.00 74.21 C ATOM 624 O ARG A 41 -7.405 -9.473 -9.324 1.00 73.05 O ATOM 625 CB ARG A 41 -8.814 -9.923 -6.306 1.00 14.15 C ATOM 626 CG ARG A 41 -9.072 -11.295 -6.922 1.00 73.42 C ATOM 627 CD ARG A 41 -10.016 -12.128 -6.063 1.00 64.53 C ATOM 628 NE ARG A 41 -11.283 -11.446 -5.812 1.00 42.41 N ATOM 629 CZ ARG A 41 -12.279 -11.967 -5.148 1.00 74.53 C ATOM 630 NH1 ARG A 41 -12.226 -13.193 -4.729 1.00 30.00 N ATOM 631 NH2 ARG A 41 -13.342 -11.263 -4.937 1.00 14.31 N ATOM 0 H ARG A 41 -7.989 -7.808 -5.377 1.00 3.12 H new ATOM 0 HA ARG A 41 -6.751 -9.801 -6.915 1.00 44.11 H new ATOM 0 HB2 ARG A 41 -8.624 -10.045 -5.240 1.00 14.15 H new ATOM 0 HB3 ARG A 41 -9.715 -9.317 -6.402 1.00 14.15 H new ATOM 0 HG2 ARG A 41 -9.498 -11.173 -7.918 1.00 73.42 H new ATOM 0 HG3 ARG A 41 -8.127 -11.824 -7.042 1.00 73.42 H new ATOM 0 HD2 ARG A 41 -10.210 -13.080 -6.558 1.00 64.53 H new ATOM 0 HD3 ARG A 41 -9.534 -12.355 -5.112 1.00 64.53 H new ATOM 0 HE ARG A 41 -11.397 -10.501 -6.179 1.00 42.41 H new ATOM 0 HH11 ARG A 41 -11.400 -13.761 -4.917 1.00 30.00 H new ATOM 0 HH12 ARG A 41 -13.010 -13.589 -4.211 1.00 30.00 H new ATOM 0 HH21 ARG A 41 -13.399 -10.307 -5.288 1.00 14.31 H new ATOM 0 HH22 ARG A 41 -14.124 -11.663 -4.419 1.00 14.31 H new ATOM 645 N ALA A 42 -8.787 -7.830 -8.631 1.00 12.03 N ATOM 646 CA ALA A 42 -9.113 -7.372 -9.985 1.00 4.41 C ATOM 647 C ALA A 42 -7.857 -6.909 -10.737 1.00 52.34 C ATOM 648 O ALA A 42 -7.708 -7.159 -11.934 1.00 52.21 O ATOM 649 CB ALA A 42 -10.143 -6.247 -9.934 1.00 65.41 C ATOM 0 H ALA A 42 -9.261 -7.315 -7.889 1.00 12.03 H new ATOM 0 HA ALA A 42 -9.538 -8.216 -10.528 1.00 4.41 H new ATOM 0 HB1 ALA A 42 -10.374 -5.919 -10.947 1.00 65.41 H new ATOM 0 HB2 ALA A 42 -11.052 -6.608 -9.454 1.00 65.41 H new ATOM 0 HB3 ALA A 42 -9.739 -5.410 -9.364 1.00 65.41 H new ATOM 655 N ILE A 43 -6.950 -6.238 -10.025 1.00 25.24 N ATOM 656 CA ILE A 43 -5.692 -5.778 -10.621 1.00 13.12 C ATOM 657 C ILE A 43 -4.800 -6.961 -11.033 1.00 24.41 C ATOM 658 O ILE A 43 -4.295 -7.011 -12.155 1.00 30.33 O ATOM 659 CB ILE A 43 -4.899 -4.855 -9.659 1.00 4.13 C ATOM 660 CG1 ILE A 43 -5.729 -3.616 -9.286 1.00 35.12 C ATOM 661 CG2 ILE A 43 -3.575 -4.433 -10.294 1.00 21.34 C ATOM 662 CD1 ILE A 43 -5.060 -2.718 -8.266 1.00 3.00 C ATOM 0 H ILE A 43 -7.061 -6.001 -9.039 1.00 25.24 H new ATOM 0 HA ILE A 43 -5.965 -5.207 -11.509 1.00 13.12 H new ATOM 0 HB ILE A 43 -4.687 -5.415 -8.748 1.00 4.13 H new ATOM 0 HG12 ILE A 43 -5.929 -3.039 -10.189 1.00 35.12 H new ATOM 0 HG13 ILE A 43 -6.693 -3.940 -8.894 1.00 35.12 H new ATOM 0 HG21 ILE A 43 -3.031 -3.786 -9.606 1.00 21.34 H new ATOM 0 HG22 ILE A 43 -2.976 -5.318 -10.509 1.00 21.34 H new ATOM 0 HG23 ILE A 43 -3.771 -3.894 -11.221 1.00 21.34 H new ATOM 0 HD11 ILE A 43 -5.705 -1.866 -8.053 1.00 3.00 H new ATOM 0 HD12 ILE A 43 -4.884 -3.278 -7.348 1.00 3.00 H new ATOM 0 HD13 ILE A 43 -4.109 -2.363 -8.662 1.00 3.00 H new ATOM 674 N ARG A 44 -4.614 -7.921 -10.130 1.00 34.44 N ATOM 675 CA ARG A 44 -3.780 -9.095 -10.420 1.00 41.11 C ATOM 676 C ARG A 44 -4.411 -9.985 -11.508 1.00 73.20 C ATOM 677 O ARG A 44 -3.707 -10.673 -12.245 1.00 14.24 O ATOM 678 CB ARG A 44 -3.529 -9.908 -9.139 1.00 73.35 C ATOM 679 CG ARG A 44 -2.648 -11.139 -9.357 1.00 65.41 C ATOM 680 CD ARG A 44 -2.284 -11.818 -8.041 1.00 14.40 C ATOM 681 NE ARG A 44 -1.518 -13.047 -8.247 1.00 14.13 N ATOM 682 CZ ARG A 44 -0.633 -13.516 -7.405 1.00 43.31 C ATOM 683 NH1 ARG A 44 -0.363 -12.881 -6.312 1.00 42.33 N ATOM 684 NH2 ARG A 44 -0.021 -14.626 -7.663 1.00 12.50 N ATOM 0 H ARG A 44 -5.024 -7.914 -9.196 1.00 34.44 H new ATOM 0 HA ARG A 44 -2.824 -8.734 -10.801 1.00 41.11 H new ATOM 0 HB2 ARG A 44 -3.060 -9.263 -8.396 1.00 73.35 H new ATOM 0 HB3 ARG A 44 -4.487 -10.226 -8.727 1.00 73.35 H new ATOM 0 HG2 ARG A 44 -3.169 -11.849 -10.000 1.00 65.41 H new ATOM 0 HG3 ARG A 44 -1.737 -10.846 -9.878 1.00 65.41 H new ATOM 0 HD2 ARG A 44 -1.704 -11.129 -7.427 1.00 14.40 H new ATOM 0 HD3 ARG A 44 -3.195 -12.048 -7.489 1.00 14.40 H new ATOM 0 HE ARG A 44 -1.685 -13.574 -9.104 1.00 14.13 H new ATOM 0 HH11 ARG A 44 -0.842 -12.006 -6.099 1.00 42.33 H new ATOM 0 HH12 ARG A 44 0.329 -13.255 -5.662 1.00 42.33 H new ATOM 0 HH21 ARG A 44 -0.228 -15.135 -8.522 1.00 12.50 H new ATOM 0 HH22 ARG A 44 0.669 -14.992 -7.007 1.00 12.50 H new ATOM 698 N SER A 45 -5.737 -9.963 -11.609 1.00 52.12 N ATOM 699 CA SER A 45 -6.442 -10.721 -12.654 1.00 74.23 C ATOM 700 C SER A 45 -6.342 -10.027 -14.023 1.00 44.23 C ATOM 701 O SER A 45 -5.996 -10.655 -15.025 1.00 34.11 O ATOM 702 CB SER A 45 -7.921 -10.906 -12.285 1.00 52.24 C ATOM 703 OG SER A 45 -8.629 -11.576 -13.320 1.00 1.31 O ATOM 0 H SER A 45 -6.348 -9.434 -10.987 1.00 52.12 H new ATOM 0 HA SER A 45 -5.959 -11.696 -12.724 1.00 74.23 H new ATOM 0 HB2 SER A 45 -7.999 -11.476 -11.359 1.00 52.24 H new ATOM 0 HB3 SER A 45 -8.377 -9.933 -12.100 1.00 52.24 H new ATOM 0 HG SER A 45 -9.568 -11.682 -13.059 1.00 1.31 H new ATOM 709 N SER A 46 -6.649 -8.731 -14.055 1.00 21.33 N ATOM 710 CA SER A 46 -6.674 -7.957 -15.309 1.00 11.13 C ATOM 711 C SER A 46 -5.279 -7.470 -15.721 1.00 65.31 C ATOM 712 O SER A 46 -4.822 -7.717 -16.840 1.00 11.20 O ATOM 713 CB SER A 46 -7.600 -6.745 -15.152 1.00 4.01 C ATOM 714 OG SER A 46 -7.683 -5.990 -16.353 1.00 31.32 O ATOM 0 H SER A 46 -6.886 -8.187 -13.226 1.00 21.33 H new ATOM 0 HA SER A 46 -7.042 -8.622 -16.090 1.00 11.13 H new ATOM 0 HB2 SER A 46 -8.596 -7.082 -14.864 1.00 4.01 H new ATOM 0 HB3 SER A 46 -7.234 -6.109 -14.346 1.00 4.01 H new ATOM 0 HG SER A 46 -8.282 -5.226 -16.218 1.00 31.32 H new ATOM 720 N HIS A 47 -4.608 -6.775 -14.807 1.00 42.33 N ATOM 721 CA HIS A 47 -3.307 -6.151 -15.085 1.00 61.34 C ATOM 722 C HIS A 47 -2.146 -7.128 -14.827 1.00 55.32 C ATOM 723 O HIS A 47 -1.048 -6.961 -15.370 1.00 74.25 O ATOM 724 CB HIS A 47 -3.135 -4.906 -14.200 1.00 14.25 C ATOM 725 CG HIS A 47 -4.303 -3.962 -14.247 1.00 33.23 C ATOM 726 ND1 HIS A 47 -5.559 -4.125 -13.771 1.00 1.44 N flip ATOM 727 CD2 HIS A 47 -4.205 -2.723 -14.821 1.00 33.43 C flip ATOM 728 CE1 HIS A 47 -6.250 -2.979 -14.059 1.00 5.03 C flip ATOM 729 NE2 HIS A 47 -5.393 -2.167 -14.688 1.00 33.21 N flip ATOM 0 H HIS A 47 -4.944 -6.626 -13.856 1.00 42.33 H new ATOM 0 HA HIS A 47 -3.285 -5.869 -16.138 1.00 61.34 H new ATOM 0 HB2 HIS A 47 -2.978 -5.223 -13.169 1.00 14.25 H new ATOM 0 HB3 HIS A 47 -2.236 -4.373 -14.510 1.00 14.25 H new ATOM 0 HD2 HIS A 47 -3.333 -2.290 -15.287 1.00 33.43 H new ATOM 0 HE1 HIS A 47 -7.284 -2.771 -13.825 1.00 5.03 H new ATOM 0 HE2 HIS A 47 -5.629 -1.233 -15.023 1.00 33.21 H new ATOM 737 N ALA A 48 -2.410 -8.144 -13.995 1.00 51.32 N ATOM 738 CA ALA A 48 -1.392 -9.121 -13.563 1.00 63.44 C ATOM 739 C ALA A 48 -0.384 -8.489 -12.589 1.00 73.32 C ATOM 740 O ALA A 48 0.694 -9.033 -12.350 1.00 4.21 O ATOM 741 CB ALA A 48 -0.682 -9.745 -14.765 1.00 34.41 C ATOM 0 H ALA A 48 -3.335 -8.315 -13.600 1.00 51.32 H new ATOM 0 HA ALA A 48 -1.908 -9.919 -13.029 1.00 63.44 H new ATOM 0 HB1 ALA A 48 0.063 -10.461 -14.417 1.00 34.41 H new ATOM 0 HB2 ALA A 48 -1.411 -10.257 -15.393 1.00 34.41 H new ATOM 0 HB3 ALA A 48 -0.190 -8.963 -15.344 1.00 34.41 H new ATOM 747 N VAL A 49 -0.762 -7.348 -12.012 1.00 12.30 N ATOM 748 CA VAL A 49 0.083 -6.642 -11.046 1.00 62.44 C ATOM 749 C VAL A 49 -0.153 -7.156 -9.619 1.00 72.30 C ATOM 750 O VAL A 49 -1.266 -7.074 -9.095 1.00 15.41 O ATOM 751 CB VAL A 49 -0.179 -5.116 -11.085 1.00 0.12 C ATOM 752 CG1 VAL A 49 0.658 -4.389 -10.034 1.00 14.54 C ATOM 753 CG2 VAL A 49 0.088 -4.556 -12.482 1.00 23.51 C ATOM 0 H VAL A 49 -1.654 -6.890 -12.198 1.00 12.30 H new ATOM 0 HA VAL A 49 1.118 -6.836 -11.328 1.00 62.44 H new ATOM 0 HB VAL A 49 -1.230 -4.948 -10.848 1.00 0.12 H new ATOM 0 HG11 VAL A 49 0.455 -3.319 -10.083 1.00 14.54 H new ATOM 0 HG12 VAL A 49 0.401 -4.762 -9.043 1.00 14.54 H new ATOM 0 HG13 VAL A 49 1.716 -4.566 -10.225 1.00 14.54 H new ATOM 0 HG21 VAL A 49 -0.102 -3.483 -12.486 1.00 23.51 H new ATOM 0 HG22 VAL A 49 1.127 -4.741 -12.756 1.00 23.51 H new ATOM 0 HG23 VAL A 49 -0.570 -5.044 -13.201 1.00 23.51 H new ATOM 763 N GLU A 50 0.893 -7.689 -8.996 1.00 10.45 N ATOM 764 CA GLU A 50 0.805 -8.157 -7.615 1.00 14.04 C ATOM 765 C GLU A 50 0.938 -6.973 -6.641 1.00 74.04 C ATOM 766 O GLU A 50 2.040 -6.525 -6.328 1.00 5.01 O ATOM 767 CB GLU A 50 1.880 -9.223 -7.356 1.00 11.11 C ATOM 768 CG GLU A 50 1.848 -10.359 -8.379 1.00 44.43 C ATOM 769 CD GLU A 50 2.835 -11.481 -8.073 1.00 61.01 C ATOM 770 OE1 GLU A 50 2.616 -12.210 -7.082 1.00 63.24 O ATOM 771 OE2 GLU A 50 3.810 -11.657 -8.840 1.00 42.32 O ATOM 0 H GLU A 50 1.811 -7.808 -9.424 1.00 10.45 H new ATOM 0 HA GLU A 50 -0.171 -8.613 -7.449 1.00 14.04 H new ATOM 0 HB2 GLU A 50 2.863 -8.752 -7.373 1.00 11.11 H new ATOM 0 HB3 GLU A 50 1.742 -9.636 -6.357 1.00 11.11 H new ATOM 0 HG2 GLU A 50 0.840 -10.773 -8.419 1.00 44.43 H new ATOM 0 HG3 GLU A 50 2.066 -9.954 -9.367 1.00 44.43 H new ATOM 778 N PHE A 51 -0.208 -6.465 -6.192 1.00 12.33 N ATOM 779 CA PHE A 51 -0.280 -5.259 -5.354 1.00 12.22 C ATOM 780 C PHE A 51 -0.714 -5.619 -3.920 1.00 74.35 C ATOM 781 O PHE A 51 -1.864 -5.987 -3.686 1.00 62.14 O ATOM 782 CB PHE A 51 -1.280 -4.282 -6.002 1.00 15.41 C ATOM 783 CG PHE A 51 -1.303 -2.873 -5.444 1.00 54.31 C ATOM 784 CD1 PHE A 51 -0.483 -2.478 -4.391 1.00 73.11 C ATOM 785 CD2 PHE A 51 -2.163 -1.935 -5.998 1.00 5.03 C ATOM 786 CE1 PHE A 51 -0.527 -1.180 -3.911 1.00 33.31 C ATOM 787 CE2 PHE A 51 -2.208 -0.642 -5.522 1.00 52.43 C ATOM 788 CZ PHE A 51 -1.393 -0.262 -4.479 1.00 35.54 C ATOM 0 H PHE A 51 -1.119 -6.876 -6.397 1.00 12.33 H new ATOM 0 HA PHE A 51 0.702 -4.791 -5.287 1.00 12.22 H new ATOM 0 HB2 PHE A 51 -1.059 -4.224 -7.068 1.00 15.41 H new ATOM 0 HB3 PHE A 51 -2.281 -4.704 -5.906 1.00 15.41 H new ATOM 0 HD1 PHE A 51 0.194 -3.191 -3.944 1.00 73.11 H new ATOM 0 HD2 PHE A 51 -2.808 -2.223 -6.815 1.00 5.03 H new ATOM 0 HE1 PHE A 51 0.114 -0.884 -3.094 1.00 33.31 H new ATOM 0 HE2 PHE A 51 -2.883 0.074 -5.968 1.00 52.43 H new ATOM 0 HZ PHE A 51 -1.430 0.751 -4.105 1.00 35.54 H new ATOM 798 N ALA A 52 0.212 -5.511 -2.967 1.00 15.45 N ATOM 799 CA ALA A 52 -0.046 -5.927 -1.579 1.00 60.34 C ATOM 800 C ALA A 52 -0.128 -4.733 -0.614 1.00 21.41 C ATOM 801 O ALA A 52 0.623 -3.764 -0.738 1.00 31.33 O ATOM 802 CB ALA A 52 1.035 -6.897 -1.117 1.00 11.31 C ATOM 0 H ALA A 52 1.149 -5.140 -3.126 1.00 15.45 H new ATOM 0 HA ALA A 52 -1.017 -6.421 -1.565 1.00 60.34 H new ATOM 0 HB1 ALA A 52 0.837 -7.200 -0.089 1.00 11.31 H new ATOM 0 HB2 ALA A 52 1.034 -7.776 -1.761 1.00 11.31 H new ATOM 0 HB3 ALA A 52 2.008 -6.409 -1.170 1.00 11.31 H new ATOM 808 N VAL A 53 -1.041 -4.818 0.357 1.00 3.02 N ATOM 809 CA VAL A 53 -1.215 -3.767 1.374 1.00 2.12 C ATOM 810 C VAL A 53 -1.033 -4.332 2.797 1.00 21.41 C ATOM 811 O VAL A 53 -1.593 -5.374 3.138 1.00 3.35 O ATOM 812 CB VAL A 53 -2.615 -3.102 1.264 1.00 70.12 C ATOM 813 CG1 VAL A 53 -2.776 -1.983 2.295 1.00 62.31 C ATOM 814 CG2 VAL A 53 -2.855 -2.577 -0.153 1.00 53.12 C ATOM 0 H VAL A 53 -1.677 -5.608 0.464 1.00 3.02 H new ATOM 0 HA VAL A 53 -0.448 -3.015 1.188 1.00 2.12 H new ATOM 0 HB VAL A 53 -3.366 -3.862 1.477 1.00 70.12 H new ATOM 0 HG11 VAL A 53 -3.765 -1.536 2.195 1.00 62.31 H new ATOM 0 HG12 VAL A 53 -2.663 -2.394 3.298 1.00 62.31 H new ATOM 0 HG13 VAL A 53 -2.015 -1.221 2.127 1.00 62.31 H new ATOM 0 HG21 VAL A 53 -3.841 -2.115 -0.208 1.00 53.12 H new ATOM 0 HG22 VAL A 53 -2.094 -1.837 -0.401 1.00 53.12 H new ATOM 0 HG23 VAL A 53 -2.802 -3.404 -0.861 1.00 53.12 H new ATOM 824 N VAL A 54 -0.245 -3.636 3.624 1.00 21.04 N ATOM 825 CA VAL A 54 0.044 -4.078 5.001 1.00 70.12 C ATOM 826 C VAL A 54 -0.168 -2.940 6.016 1.00 63.32 C ATOM 827 O VAL A 54 0.203 -1.794 5.756 1.00 3.24 O ATOM 828 CB VAL A 54 1.505 -4.590 5.130 1.00 52.03 C ATOM 829 CG1 VAL A 54 1.770 -5.149 6.529 1.00 72.13 C ATOM 830 CG2 VAL A 54 1.814 -5.636 4.060 1.00 22.41 C ATOM 0 H VAL A 54 0.208 -2.759 3.366 1.00 21.04 H new ATOM 0 HA VAL A 54 -0.650 -4.889 5.220 1.00 70.12 H new ATOM 0 HB VAL A 54 2.171 -3.741 4.975 1.00 52.03 H new ATOM 0 HG11 VAL A 54 2.800 -5.500 6.591 1.00 72.13 H new ATOM 0 HG12 VAL A 54 1.608 -4.366 7.270 1.00 72.13 H new ATOM 0 HG13 VAL A 54 1.091 -5.979 6.724 1.00 72.13 H new ATOM 0 HG21 VAL A 54 2.843 -5.978 4.172 1.00 22.41 H new ATOM 0 HG22 VAL A 54 1.136 -6.482 4.172 1.00 22.41 H new ATOM 0 HG23 VAL A 54 1.684 -5.195 3.072 1.00 22.41 H new ATOM 840 N THR A 55 -0.763 -3.254 7.172 1.00 73.54 N ATOM 841 CA THR A 55 -0.947 -2.258 8.245 1.00 54.33 C ATOM 842 C THR A 55 -0.334 -2.736 9.571 1.00 51.41 C ATOM 843 O THR A 55 -0.703 -3.786 10.101 1.00 71.13 O ATOM 844 CB THR A 55 -2.442 -1.926 8.498 1.00 42.33 C ATOM 845 OG1 THR A 55 -3.088 -3.011 9.180 1.00 71.44 O ATOM 846 CG2 THR A 55 -3.172 -1.643 7.189 1.00 42.42 C ATOM 0 H THR A 55 -1.125 -4.182 7.392 1.00 73.54 H new ATOM 0 HA THR A 55 -0.436 -1.360 7.898 1.00 54.33 H new ATOM 0 HB THR A 55 -2.481 -1.032 9.120 1.00 42.33 H new ATOM 0 HG1 THR A 55 -4.060 -2.898 9.128 1.00 71.44 H new ATOM 0 HG21 THR A 55 -4.217 -1.414 7.397 1.00 42.42 H new ATOM 0 HG22 THR A 55 -2.707 -0.793 6.689 1.00 42.42 H new ATOM 0 HG23 THR A 55 -3.115 -2.520 6.544 1.00 42.42 H new ATOM 854 N LEU A 56 0.585 -1.944 10.121 1.00 53.04 N ATOM 855 CA LEU A 56 1.271 -2.288 11.376 1.00 34.21 C ATOM 856 C LEU A 56 1.262 -1.098 12.351 1.00 53.10 C ATOM 857 O LEU A 56 1.330 0.058 11.926 1.00 0.32 O ATOM 858 CB LEU A 56 2.721 -2.694 11.084 1.00 62.13 C ATOM 859 CG LEU A 56 2.901 -3.857 10.094 1.00 52.52 C ATOM 860 CD1 LEU A 56 4.356 -3.978 9.663 1.00 44.23 C ATOM 861 CD2 LEU A 56 2.420 -5.169 10.707 1.00 3.13 C ATOM 0 H LEU A 56 0.876 -1.053 9.718 1.00 53.04 H new ATOM 0 HA LEU A 56 0.740 -3.121 11.836 1.00 34.21 H new ATOM 0 HB2 LEU A 56 3.251 -1.825 10.695 1.00 62.13 H new ATOM 0 HB3 LEU A 56 3.200 -2.965 12.025 1.00 62.13 H new ATOM 0 HG LEU A 56 2.296 -3.645 9.213 1.00 52.52 H new ATOM 0 HD11 LEU A 56 4.460 -4.807 8.963 1.00 44.23 H new ATOM 0 HD12 LEU A 56 4.670 -3.053 9.180 1.00 44.23 H new ATOM 0 HD13 LEU A 56 4.980 -4.161 10.537 1.00 44.23 H new ATOM 0 HD21 LEU A 56 2.557 -5.978 9.989 1.00 3.13 H new ATOM 0 HD22 LEU A 56 2.995 -5.382 11.608 1.00 3.13 H new ATOM 0 HD23 LEU A 56 1.364 -5.086 10.963 1.00 3.13 H new ATOM 873 N PRO A 57 1.164 -1.357 13.673 1.00 51.41 N ATOM 874 CA PRO A 57 1.211 -0.289 14.686 1.00 11.43 C ATOM 875 C PRO A 57 2.564 0.452 14.707 1.00 14.43 C ATOM 876 O PRO A 57 2.640 1.614 14.316 1.00 43.25 O ATOM 877 CB PRO A 57 0.961 -1.031 16.012 1.00 4.41 C ATOM 878 CG PRO A 57 1.301 -2.457 15.732 1.00 64.43 C ATOM 879 CD PRO A 57 0.979 -2.688 14.281 1.00 14.34 C ATOM 0 HA PRO A 57 0.477 0.492 14.485 1.00 11.43 H new ATOM 0 HB2 PRO A 57 1.582 -0.628 16.812 1.00 4.41 H new ATOM 0 HB3 PRO A 57 -0.076 -0.929 16.331 1.00 4.41 H new ATOM 0 HG2 PRO A 57 2.354 -2.653 15.933 1.00 64.43 H new ATOM 0 HG3 PRO A 57 0.725 -3.127 16.370 1.00 64.43 H new ATOM 0 HD2 PRO A 57 1.643 -3.429 13.835 1.00 14.34 H new ATOM 0 HD3 PRO A 57 -0.040 -3.052 14.149 1.00 14.34 H new ATOM 887 N SER A 58 3.631 -0.225 15.138 1.00 52.15 N ATOM 888 CA SER A 58 4.968 0.395 15.207 1.00 20.32 C ATOM 889 C SER A 58 6.021 -0.507 14.550 1.00 24.43 C ATOM 890 O SER A 58 5.838 -1.719 14.456 1.00 71.12 O ATOM 891 CB SER A 58 5.370 0.663 16.670 1.00 55.22 C ATOM 892 OG SER A 58 4.376 1.404 17.366 1.00 44.52 O ATOM 0 H SER A 58 3.602 -1.198 15.444 1.00 52.15 H new ATOM 0 HA SER A 58 4.921 1.342 14.668 1.00 20.32 H new ATOM 0 HB2 SER A 58 5.539 -0.286 17.180 1.00 55.22 H new ATOM 0 HB3 SER A 58 6.313 1.210 16.693 1.00 55.22 H new ATOM 0 HG SER A 58 4.666 1.553 18.290 1.00 44.52 H new ATOM 898 N ILE A 59 7.127 0.084 14.098 1.00 44.14 N ATOM 899 CA ILE A 59 8.225 -0.689 13.490 1.00 13.35 C ATOM 900 C ILE A 59 9.557 -0.474 14.231 1.00 55.24 C ATOM 901 O ILE A 59 10.595 -1.017 13.847 1.00 2.40 O ATOM 902 CB ILE A 59 8.400 -0.342 11.986 1.00 23.33 C ATOM 903 CG1 ILE A 59 8.690 1.159 11.801 1.00 21.24 C ATOM 904 CG2 ILE A 59 7.161 -0.759 11.194 1.00 22.21 C ATOM 905 CD1 ILE A 59 8.873 1.577 10.353 1.00 73.25 C ATOM 0 H ILE A 59 7.292 1.090 14.138 1.00 44.14 H new ATOM 0 HA ILE A 59 7.949 -1.740 13.578 1.00 13.35 H new ATOM 0 HB ILE A 59 9.255 -0.899 11.602 1.00 23.33 H new ATOM 0 HG12 ILE A 59 7.871 1.733 12.234 1.00 21.24 H new ATOM 0 HG13 ILE A 59 9.590 1.417 12.360 1.00 21.24 H new ATOM 0 HG21 ILE A 59 7.300 -0.509 10.142 1.00 22.21 H new ATOM 0 HG22 ILE A 59 7.010 -1.834 11.294 1.00 22.21 H new ATOM 0 HG23 ILE A 59 6.288 -0.232 11.580 1.00 22.21 H new ATOM 0 HD11 ILE A 59 9.074 2.647 10.306 1.00 73.25 H new ATOM 0 HD12 ILE A 59 9.711 1.031 9.920 1.00 73.25 H new ATOM 0 HD13 ILE A 59 7.966 1.353 9.792 1.00 73.25 H new ATOM 917 N GLY A 60 9.515 0.317 15.303 1.00 52.11 N ATOM 918 CA GLY A 60 10.702 0.551 16.116 1.00 14.00 C ATOM 919 C GLY A 60 11.747 1.417 15.418 1.00 72.02 C ATOM 920 O GLY A 60 11.458 2.543 15.008 1.00 4.43 O ATOM 0 H GLY A 60 8.677 0.802 15.625 1.00 52.11 H new ATOM 0 HA2 GLY A 60 10.407 1.030 17.049 1.00 14.00 H new ATOM 0 HA3 GLY A 60 11.150 -0.408 16.378 1.00 14.00 H new ATOM 924 N ASP A 61 12.960 0.892 15.277 1.00 43.45 N ATOM 925 CA ASP A 61 14.057 1.643 14.660 1.00 15.22 C ATOM 926 C ASP A 61 14.331 1.182 13.220 1.00 40.35 C ATOM 927 O ASP A 61 15.286 1.635 12.585 1.00 40.11 O ATOM 928 CB ASP A 61 15.320 1.506 15.512 1.00 12.05 C ATOM 929 CG ASP A 61 15.076 1.927 16.949 1.00 11.20 C ATOM 930 OD1 ASP A 61 14.754 3.109 17.179 1.00 54.01 O ATOM 931 OD2 ASP A 61 15.197 1.079 17.855 1.00 12.13 O ATOM 0 H ASP A 61 13.212 -0.049 15.580 1.00 43.45 H new ATOM 0 HA ASP A 61 13.760 2.691 14.613 1.00 15.22 H new ATOM 0 HB2 ASP A 61 15.664 0.472 15.489 1.00 12.05 H new ATOM 0 HB3 ASP A 61 16.116 2.116 15.084 1.00 12.05 H new ATOM 936 N ALA A 62 13.503 0.275 12.711 1.00 15.43 N ATOM 937 CA ALA A 62 13.624 -0.190 11.328 1.00 32.52 C ATOM 938 C ALA A 62 13.104 0.876 10.349 1.00 22.33 C ATOM 939 O ALA A 62 11.933 1.257 10.408 1.00 14.32 O ATOM 940 CB ALA A 62 12.863 -1.501 11.146 1.00 71.21 C ATOM 0 H ALA A 62 12.740 -0.155 13.234 1.00 15.43 H new ATOM 0 HA ALA A 62 14.678 -0.364 11.111 1.00 32.52 H new ATOM 0 HB1 ALA A 62 12.960 -1.838 10.114 1.00 71.21 H new ATOM 0 HB2 ALA A 62 13.275 -2.257 11.814 1.00 71.21 H new ATOM 0 HB3 ALA A 62 11.810 -1.346 11.380 1.00 71.21 H new ATOM 946 N PRO A 63 13.963 1.395 9.450 1.00 1.23 N ATOM 947 CA PRO A 63 13.553 2.420 8.476 1.00 63.01 C ATOM 948 C PRO A 63 12.495 1.900 7.491 1.00 20.43 C ATOM 949 O PRO A 63 12.658 0.831 6.901 1.00 44.41 O ATOM 950 CB PRO A 63 14.858 2.777 7.747 1.00 30.10 C ATOM 951 CG PRO A 63 15.754 1.601 7.960 1.00 25.41 C ATOM 952 CD PRO A 63 15.385 1.032 9.305 1.00 52.22 C ATOM 0 HA PRO A 63 13.084 3.277 8.961 1.00 63.01 H new ATOM 0 HB2 PRO A 63 14.682 2.952 6.686 1.00 30.10 H new ATOM 0 HB3 PRO A 63 15.299 3.688 8.151 1.00 30.10 H new ATOM 0 HG2 PRO A 63 15.618 0.860 7.173 1.00 25.41 H new ATOM 0 HG3 PRO A 63 16.802 1.900 7.938 1.00 25.41 H new ATOM 0 HD2 PRO A 63 15.530 -0.048 9.338 1.00 52.22 H new ATOM 0 HD3 PRO A 63 15.992 1.460 10.103 1.00 52.22 H new ATOM 960 N LEU A 64 11.424 2.675 7.313 1.00 43.42 N ATOM 961 CA LEU A 64 10.289 2.281 6.461 1.00 61.33 C ATOM 962 C LEU A 64 10.742 1.757 5.084 1.00 20.53 C ATOM 963 O LEU A 64 10.194 0.781 4.569 1.00 44.45 O ATOM 964 CB LEU A 64 9.338 3.477 6.287 1.00 33.35 C ATOM 965 CG LEU A 64 8.093 3.220 5.420 1.00 41.25 C ATOM 966 CD1 LEU A 64 7.224 2.118 6.021 1.00 53.11 C ATOM 967 CD2 LEU A 64 7.290 4.510 5.248 1.00 11.13 C ATOM 0 H LEU A 64 11.314 3.590 7.751 1.00 43.42 H new ATOM 0 HA LEU A 64 9.771 1.461 6.958 1.00 61.33 H new ATOM 0 HB2 LEU A 64 9.010 3.803 7.274 1.00 33.35 H new ATOM 0 HB3 LEU A 64 9.899 4.303 5.849 1.00 33.35 H new ATOM 0 HG LEU A 64 8.425 2.884 4.438 1.00 41.25 H new ATOM 0 HD11 LEU A 64 6.351 1.957 5.388 1.00 53.11 H new ATOM 0 HD12 LEU A 64 7.800 1.195 6.086 1.00 53.11 H new ATOM 0 HD13 LEU A 64 6.899 2.414 7.018 1.00 53.11 H new ATOM 0 HD21 LEU A 64 6.412 4.313 4.632 1.00 11.13 H new ATOM 0 HD22 LEU A 64 6.973 4.875 6.225 1.00 11.13 H new ATOM 0 HD23 LEU A 64 7.911 5.263 4.763 1.00 11.13 H new ATOM 979 N GLU A 65 11.747 2.408 4.504 1.00 54.01 N ATOM 980 CA GLU A 65 12.285 2.019 3.190 1.00 13.41 C ATOM 981 C GLU A 65 12.911 0.607 3.210 1.00 42.40 C ATOM 982 O GLU A 65 12.676 -0.202 2.313 1.00 43.00 O ATOM 983 CB GLU A 65 13.323 3.053 2.740 1.00 14.21 C ATOM 984 CG GLU A 65 14.488 3.203 3.713 1.00 23.22 C ATOM 985 CD GLU A 65 15.390 4.378 3.386 1.00 53.00 C ATOM 986 OE1 GLU A 65 15.101 5.501 3.858 1.00 62.13 O ATOM 987 OE2 GLU A 65 16.389 4.185 2.664 1.00 10.31 O ATOM 0 H GLU A 65 12.212 3.214 4.922 1.00 54.01 H new ATOM 0 HA GLU A 65 11.456 1.990 2.483 1.00 13.41 H new ATOM 0 HB2 GLU A 65 13.710 2.767 1.762 1.00 14.21 H new ATOM 0 HB3 GLU A 65 12.834 4.019 2.619 1.00 14.21 H new ATOM 0 HG2 GLU A 65 14.097 3.323 4.723 1.00 23.22 H new ATOM 0 HG3 GLU A 65 15.079 2.287 3.707 1.00 23.22 H new ATOM 994 N ASP A 66 13.711 0.318 4.233 1.00 62.43 N ATOM 995 CA ASP A 66 14.344 -0.999 4.372 1.00 11.32 C ATOM 996 C ASP A 66 13.297 -2.053 4.756 1.00 5.42 C ATOM 997 O ASP A 66 13.362 -3.209 4.332 1.00 11.23 O ATOM 998 CB ASP A 66 15.452 -0.932 5.431 1.00 41.12 C ATOM 999 CG ASP A 66 16.240 -2.227 5.548 1.00 62.41 C ATOM 1000 OD1 ASP A 66 17.189 -2.423 4.760 1.00 22.32 O ATOM 1001 OD2 ASP A 66 15.927 -3.046 6.432 1.00 73.01 O ATOM 0 H ASP A 66 13.939 0.975 4.980 1.00 62.43 H new ATOM 0 HA ASP A 66 14.786 -1.286 3.418 1.00 11.32 H new ATOM 0 HB2 ASP A 66 16.134 -0.119 5.184 1.00 41.12 H new ATOM 0 HB3 ASP A 66 15.009 -0.694 6.398 1.00 41.12 H new ATOM 1006 N PHE A 67 12.318 -1.626 5.551 1.00 31.22 N ATOM 1007 CA PHE A 67 11.224 -2.490 5.990 1.00 23.31 C ATOM 1008 C PHE A 67 10.450 -3.051 4.785 1.00 1.13 C ATOM 1009 O PHE A 67 10.252 -4.265 4.667 1.00 74.30 O ATOM 1010 CB PHE A 67 10.276 -1.695 6.901 1.00 63.43 C ATOM 1011 CG PHE A 67 9.322 -2.556 7.685 1.00 31.03 C ATOM 1012 CD1 PHE A 67 8.181 -3.081 7.093 1.00 74.31 C ATOM 1013 CD2 PHE A 67 9.571 -2.840 9.019 1.00 50.02 C ATOM 1014 CE1 PHE A 67 7.314 -3.874 7.816 1.00 45.53 C ATOM 1015 CE2 PHE A 67 8.706 -3.631 9.743 1.00 14.24 C ATOM 1016 CZ PHE A 67 7.577 -4.149 9.143 1.00 71.05 C ATOM 0 H PHE A 67 12.261 -0.672 5.909 1.00 31.22 H new ATOM 0 HA PHE A 67 11.644 -3.330 6.544 1.00 23.31 H new ATOM 0 HB2 PHE A 67 10.869 -1.100 7.596 1.00 63.43 H new ATOM 0 HB3 PHE A 67 9.703 -0.996 6.292 1.00 63.43 H new ATOM 0 HD1 PHE A 67 7.970 -2.866 6.056 1.00 74.31 H new ATOM 0 HD2 PHE A 67 10.452 -2.437 9.496 1.00 50.02 H new ATOM 0 HE1 PHE A 67 6.431 -4.279 7.345 1.00 45.53 H new ATOM 0 HE2 PHE A 67 8.912 -3.846 10.781 1.00 14.24 H new ATOM 0 HZ PHE A 67 6.899 -4.769 9.711 1.00 71.05 H new ATOM 1026 N THR A 68 10.017 -2.158 3.894 1.00 10.40 N ATOM 1027 CA THR A 68 9.305 -2.556 2.673 1.00 5.11 C ATOM 1028 C THR A 68 10.187 -3.437 1.779 1.00 3.33 C ATOM 1029 O THR A 68 9.717 -4.416 1.199 1.00 25.22 O ATOM 1030 CB THR A 68 8.837 -1.328 1.851 1.00 24.33 C ATOM 1031 OG1 THR A 68 9.958 -0.501 1.516 1.00 4.55 O ATOM 1032 CG2 THR A 68 7.813 -0.502 2.625 1.00 70.31 C ATOM 0 H THR A 68 10.146 -1.151 3.993 1.00 10.40 H new ATOM 0 HA THR A 68 8.431 -3.120 2.998 1.00 5.11 H new ATOM 0 HB THR A 68 8.368 -1.698 0.939 1.00 24.33 H new ATOM 0 HG1 THR A 68 10.212 -0.657 0.582 1.00 4.55 H new ATOM 0 HG21 THR A 68 7.504 0.352 2.022 1.00 70.31 H new ATOM 0 HG22 THR A 68 6.944 -1.120 2.852 1.00 70.31 H new ATOM 0 HG23 THR A 68 8.259 -0.148 3.554 1.00 70.31 H new ATOM 1040 N LEU A 69 11.467 -3.082 1.680 1.00 4.13 N ATOM 1041 CA LEU A 69 12.431 -3.856 0.890 1.00 31.41 C ATOM 1042 C LEU A 69 12.502 -5.319 1.371 1.00 42.11 C ATOM 1043 O LEU A 69 12.354 -6.255 0.577 1.00 53.54 O ATOM 1044 CB LEU A 69 13.818 -3.203 0.977 1.00 60.03 C ATOM 1045 CG LEU A 69 14.914 -3.857 0.119 1.00 63.04 C ATOM 1046 CD1 LEU A 69 14.547 -3.798 -1.363 1.00 22.44 C ATOM 1047 CD2 LEU A 69 16.266 -3.189 0.370 1.00 23.03 C ATOM 0 H LEU A 69 11.864 -2.261 2.137 1.00 4.13 H new ATOM 0 HA LEU A 69 12.097 -3.860 -0.147 1.00 31.41 H new ATOM 0 HB2 LEU A 69 13.727 -2.157 0.683 1.00 60.03 H new ATOM 0 HB3 LEU A 69 14.141 -3.215 2.018 1.00 60.03 H new ATOM 0 HG LEU A 69 14.994 -4.905 0.407 1.00 63.04 H new ATOM 0 HD11 LEU A 69 15.336 -4.266 -1.952 1.00 22.44 H new ATOM 0 HD12 LEU A 69 13.609 -4.328 -1.527 1.00 22.44 H new ATOM 0 HD13 LEU A 69 14.434 -2.758 -1.669 1.00 22.44 H new ATOM 0 HD21 LEU A 69 17.028 -3.666 -0.247 1.00 23.03 H new ATOM 0 HD22 LEU A 69 16.202 -2.131 0.114 1.00 23.03 H new ATOM 0 HD23 LEU A 69 16.533 -3.292 1.422 1.00 23.03 H new ATOM 1059 N LYS A 70 12.722 -5.510 2.676 1.00 13.55 N ATOM 1060 CA LYS A 70 12.775 -6.855 3.269 1.00 71.34 C ATOM 1061 C LYS A 70 11.457 -7.613 3.077 1.00 34.01 C ATOM 1062 O LYS A 70 11.446 -8.761 2.633 1.00 74.44 O ATOM 1063 CB LYS A 70 13.107 -6.776 4.768 1.00 41.13 C ATOM 1064 CG LYS A 70 14.491 -6.212 5.070 1.00 63.25 C ATOM 1065 CD LYS A 70 14.801 -6.229 6.567 1.00 71.25 C ATOM 1066 CE LYS A 70 14.778 -7.642 7.147 1.00 24.25 C ATOM 1067 NZ LYS A 70 15.164 -7.660 8.584 1.00 34.23 N ATOM 0 H LYS A 70 12.866 -4.752 3.343 1.00 13.55 H new ATOM 0 HA LYS A 70 13.563 -7.401 2.751 1.00 71.34 H new ATOM 0 HB2 LYS A 70 12.358 -6.157 5.263 1.00 41.13 H new ATOM 0 HB3 LYS A 70 13.031 -7.774 5.199 1.00 41.13 H new ATOM 0 HG2 LYS A 70 15.244 -6.793 4.537 1.00 63.25 H new ATOM 0 HG3 LYS A 70 14.555 -5.190 4.698 1.00 63.25 H new ATOM 0 HD2 LYS A 70 15.781 -5.784 6.738 1.00 71.25 H new ATOM 0 HD3 LYS A 70 14.074 -5.610 7.094 1.00 71.25 H new ATOM 0 HE2 LYS A 70 13.779 -8.064 7.034 1.00 24.25 H new ATOM 0 HE3 LYS A 70 15.459 -8.278 6.581 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 14.548 -8.320 9.101 1.00 34.23 H new ATOM 0 HZ2 LYS A 70 16.154 -7.967 8.674 1.00 34.23 H new ATOM 0 HZ3 LYS A 70 15.060 -6.705 8.983 1.00 34.23 H new ATOM 1081 N LEU A 71 10.347 -6.960 3.409 1.00 72.34 N ATOM 1082 CA LEU A 71 9.024 -7.587 3.332 1.00 4.14 C ATOM 1083 C LEU A 71 8.695 -8.053 1.898 1.00 63.44 C ATOM 1084 O LEU A 71 8.225 -9.173 1.690 1.00 53.14 O ATOM 1085 CB LEU A 71 7.955 -6.607 3.837 1.00 23.52 C ATOM 1086 CG LEU A 71 6.542 -7.192 3.992 1.00 55.54 C ATOM 1087 CD1 LEU A 71 6.542 -8.343 4.993 1.00 30.11 C ATOM 1088 CD2 LEU A 71 5.551 -6.110 4.416 1.00 55.40 C ATOM 0 H LEU A 71 10.334 -5.994 3.735 1.00 72.34 H new ATOM 0 HA LEU A 71 9.032 -8.473 3.967 1.00 4.14 H new ATOM 0 HB2 LEU A 71 8.274 -6.214 4.802 1.00 23.52 H new ATOM 0 HB3 LEU A 71 7.907 -5.763 3.149 1.00 23.52 H new ATOM 0 HG LEU A 71 6.228 -7.581 3.023 1.00 55.54 H new ATOM 0 HD11 LEU A 71 5.532 -8.743 5.088 1.00 30.11 H new ATOM 0 HD12 LEU A 71 7.212 -9.129 4.644 1.00 30.11 H new ATOM 0 HD13 LEU A 71 6.882 -7.981 5.963 1.00 30.11 H new ATOM 0 HD21 LEU A 71 4.558 -6.547 4.520 1.00 55.40 H new ATOM 0 HD22 LEU A 71 5.862 -5.686 5.371 1.00 55.40 H new ATOM 0 HD23 LEU A 71 5.525 -5.324 3.661 1.00 55.40 H new ATOM 1100 N ALA A 72 8.968 -7.196 0.913 1.00 73.04 N ATOM 1101 CA ALA A 72 8.682 -7.510 -0.495 1.00 11.33 C ATOM 1102 C ALA A 72 9.533 -8.681 -1.018 1.00 11.34 C ATOM 1103 O ALA A 72 9.012 -9.609 -1.643 1.00 63.12 O ATOM 1104 CB ALA A 72 8.890 -6.273 -1.366 1.00 53.44 C ATOM 0 H ALA A 72 9.387 -6.278 1.060 1.00 73.04 H new ATOM 0 HA ALA A 72 7.639 -7.820 -0.551 1.00 11.33 H new ATOM 0 HB1 ALA A 72 8.675 -6.520 -2.406 1.00 53.44 H new ATOM 0 HB2 ALA A 72 8.221 -5.479 -1.036 1.00 53.44 H new ATOM 0 HB3 ALA A 72 9.923 -5.936 -1.279 1.00 53.44 H new ATOM 1110 N ARG A 73 10.845 -8.637 -0.769 1.00 43.42 N ATOM 1111 CA ARG A 73 11.748 -9.694 -1.247 1.00 62.14 C ATOM 1112 C ARG A 73 11.485 -11.024 -0.522 1.00 65.34 C ATOM 1113 O ARG A 73 11.652 -12.102 -1.096 1.00 33.02 O ATOM 1114 CB ARG A 73 13.220 -9.272 -1.093 1.00 35.13 C ATOM 1115 CG ARG A 73 13.714 -9.191 0.350 1.00 31.21 C ATOM 1116 CD ARG A 73 15.148 -8.669 0.428 1.00 3.12 C ATOM 1117 NE ARG A 73 15.695 -8.752 1.783 1.00 41.44 N ATOM 1118 CZ ARG A 73 16.348 -7.789 2.379 1.00 24.52 C ATOM 1119 NH1 ARG A 73 16.491 -6.638 1.805 1.00 20.20 N ATOM 1120 NH2 ARG A 73 16.849 -7.977 3.558 1.00 50.43 N ATOM 0 H ARG A 73 11.304 -7.891 -0.246 1.00 43.42 H new ATOM 0 HA ARG A 73 11.546 -9.845 -2.307 1.00 62.14 H new ATOM 0 HB2 ARG A 73 13.845 -9.980 -1.637 1.00 35.13 H new ATOM 0 HB3 ARG A 73 13.356 -8.299 -1.564 1.00 35.13 H new ATOM 0 HG2 ARG A 73 13.057 -8.537 0.923 1.00 31.21 H new ATOM 0 HG3 ARG A 73 13.661 -10.178 0.809 1.00 31.21 H new ATOM 0 HD2 ARG A 73 15.779 -9.242 -0.252 1.00 3.12 H new ATOM 0 HD3 ARG A 73 15.174 -7.633 0.091 1.00 3.12 H new ATOM 0 HE ARG A 73 15.557 -9.622 2.298 1.00 41.44 H new ATOM 0 HH11 ARG A 73 16.093 -6.476 0.880 1.00 20.20 H new ATOM 0 HH12 ARG A 73 17.002 -5.892 2.278 1.00 20.20 H new ATOM 0 HH21 ARG A 73 16.734 -8.878 4.023 1.00 50.43 H new ATOM 0 HH22 ARG A 73 17.358 -7.225 4.022 1.00 50.43 H new ATOM 1134 N GLN A 74 11.058 -10.941 0.736 1.00 41.30 N ATOM 1135 CA GLN A 74 10.708 -12.127 1.523 1.00 21.42 C ATOM 1136 C GLN A 74 9.402 -12.767 1.017 1.00 44.52 C ATOM 1137 O GLN A 74 9.277 -13.990 0.956 1.00 12.33 O ATOM 1138 CB GLN A 74 10.567 -11.749 3.004 1.00 34.11 C ATOM 1139 CG GLN A 74 10.234 -12.925 3.919 1.00 45.42 C ATOM 1140 CD GLN A 74 9.955 -12.501 5.352 1.00 32.35 C ATOM 1141 OE1 GLN A 74 10.202 -13.244 6.294 1.00 11.12 O ATOM 1142 NE2 GLN A 74 9.438 -11.300 5.530 1.00 14.23 N ATOM 0 H GLN A 74 10.945 -10.060 1.237 1.00 41.30 H new ATOM 0 HA GLN A 74 11.509 -12.858 1.410 1.00 21.42 H new ATOM 0 HB2 GLN A 74 11.497 -11.292 3.341 1.00 34.11 H new ATOM 0 HB3 GLN A 74 9.787 -10.994 3.102 1.00 34.11 H new ATOM 0 HG2 GLN A 74 9.364 -13.450 3.525 1.00 45.42 H new ATOM 0 HG3 GLN A 74 11.064 -13.632 3.910 1.00 45.42 H new ATOM 0 HE21 GLN A 74 9.243 -10.704 4.725 1.00 14.23 H new ATOM 0 HE22 GLN A 74 9.233 -10.968 6.472 1.00 14.23 H new ATOM 1151 N TRP A 75 8.434 -11.930 0.649 1.00 3.13 N ATOM 1152 CA TRP A 75 7.146 -12.410 0.123 1.00 65.22 C ATOM 1153 C TRP A 75 7.232 -12.793 -1.368 1.00 2.24 C ATOM 1154 O TRP A 75 6.212 -13.058 -2.005 1.00 30.52 O ATOM 1155 CB TRP A 75 6.059 -11.343 0.325 1.00 30.41 C ATOM 1156 CG TRP A 75 5.575 -11.216 1.743 1.00 40.42 C ATOM 1157 CD1 TRP A 75 6.046 -11.875 2.847 1.00 61.25 C ATOM 1158 CD2 TRP A 75 4.510 -10.377 2.204 1.00 73.54 C ATOM 1159 NE1 TRP A 75 5.338 -11.493 3.960 1.00 70.33 N ATOM 1160 CE2 TRP A 75 4.391 -10.574 3.591 1.00 14.22 C ATOM 1161 CE3 TRP A 75 3.647 -9.473 1.578 1.00 72.44 C ATOM 1162 CZ2 TRP A 75 3.445 -9.907 4.361 1.00 62.52 C ATOM 1163 CZ3 TRP A 75 2.707 -8.809 2.344 1.00 41.13 C ATOM 1164 CH2 TRP A 75 2.614 -9.029 3.725 1.00 12.24 C ATOM 0 H TRP A 75 8.512 -10.914 0.703 1.00 3.13 H new ATOM 0 HA TRP A 75 6.886 -13.310 0.680 1.00 65.22 H new ATOM 0 HB2 TRP A 75 6.447 -10.378 -0.002 1.00 30.41 H new ATOM 0 HB3 TRP A 75 5.210 -11.579 -0.317 1.00 30.41 H new ATOM 0 HD1 TRP A 75 6.855 -12.590 2.843 1.00 61.25 H new ATOM 0 HE1 TRP A 75 5.492 -11.837 4.908 1.00 70.33 H new ATOM 0 HE3 TRP A 75 3.713 -9.296 0.515 1.00 72.44 H new ATOM 0 HZ2 TRP A 75 3.370 -10.077 5.425 1.00 62.52 H new ATOM 0 HZ3 TRP A 75 2.034 -8.110 1.871 1.00 41.13 H new ATOM 0 HH2 TRP A 75 1.871 -8.494 4.298 1.00 12.24 H new ATOM 1175 N GLY A 76 8.445 -12.814 -1.920 1.00 64.25 N ATOM 1176 CA GLY A 76 8.635 -13.212 -3.314 1.00 71.34 C ATOM 1177 C GLY A 76 8.352 -12.090 -4.315 1.00 22.41 C ATOM 1178 O GLY A 76 9.101 -11.902 -5.274 1.00 51.34 O ATOM 0 H GLY A 76 9.303 -12.563 -1.429 1.00 64.25 H new ATOM 0 HA2 GLY A 76 9.660 -13.557 -3.448 1.00 71.34 H new ATOM 0 HA3 GLY A 76 7.983 -14.057 -3.534 1.00 71.34 H new ATOM 1182 N VAL A 77 7.282 -11.329 -4.082 1.00 11.22 N ATOM 1183 CA VAL A 77 6.870 -10.243 -4.985 1.00 64.21 C ATOM 1184 C VAL A 77 7.950 -9.156 -5.175 1.00 13.34 C ATOM 1185 O VAL A 77 7.775 -8.236 -5.973 1.00 23.30 O ATOM 1186 CB VAL A 77 5.565 -9.580 -4.482 1.00 64.33 C ATOM 1187 CG1 VAL A 77 4.410 -10.579 -4.497 1.00 11.13 C ATOM 1188 CG2 VAL A 77 5.757 -8.986 -3.084 1.00 11.02 C ATOM 0 H VAL A 77 6.677 -11.443 -3.269 1.00 11.22 H new ATOM 0 HA VAL A 77 6.708 -10.712 -5.955 1.00 64.21 H new ATOM 0 HB VAL A 77 5.316 -8.765 -5.161 1.00 64.33 H new ATOM 0 HG11 VAL A 77 3.503 -10.092 -4.140 1.00 11.13 H new ATOM 0 HG12 VAL A 77 4.253 -10.938 -5.514 1.00 11.13 H new ATOM 0 HG13 VAL A 77 4.649 -11.421 -3.848 1.00 11.13 H new ATOM 0 HG21 VAL A 77 4.826 -8.526 -2.753 1.00 11.02 H new ATOM 0 HG22 VAL A 77 6.039 -9.776 -2.388 1.00 11.02 H new ATOM 0 HG23 VAL A 77 6.544 -8.232 -3.114 1.00 11.02 H new ATOM 1256 N ASN A 82 11.033 -7.982 -8.491 1.00 4.11 N ATOM 1257 CA ASN A 82 10.188 -8.858 -9.311 1.00 44.24 C ATOM 1258 C ASN A 82 9.450 -8.016 -10.368 1.00 70.24 C ATOM 1259 O ASN A 82 9.361 -6.799 -10.234 1.00 62.32 O ATOM 1260 CB ASN A 82 9.185 -9.588 -8.401 1.00 14.21 C ATOM 1261 CG ASN A 82 8.534 -10.805 -9.043 1.00 31.52 C ATOM 1262 OD1 ASN A 82 8.422 -10.910 -10.255 1.00 33.45 O ATOM 1263 ND2 ASN A 82 8.089 -11.736 -8.226 1.00 40.35 N ATOM 0 HA ASN A 82 10.802 -9.598 -9.824 1.00 44.24 H new ATOM 0 HB2 ASN A 82 9.697 -9.901 -7.491 1.00 14.21 H new ATOM 0 HB3 ASN A 82 8.405 -8.887 -8.102 1.00 14.21 H new ATOM 0 HD21 ASN A 82 7.638 -12.570 -8.601 1.00 40.35 H new ATOM 0 HD22 ASN A 82 8.195 -11.623 -7.218 1.00 40.35 H new ATOM 1270 N ASN A 83 8.925 -8.651 -11.412 1.00 15.43 N ATOM 1271 CA ASN A 83 8.239 -7.923 -12.490 1.00 55.53 C ATOM 1272 C ASN A 83 7.010 -7.114 -11.989 1.00 42.10 C ATOM 1273 O ASN A 83 7.154 -6.005 -11.469 1.00 1.21 O ATOM 1274 CB ASN A 83 7.847 -8.883 -13.626 1.00 14.11 C ATOM 1275 CG ASN A 83 7.165 -10.169 -13.153 1.00 51.41 C ATOM 1276 OD1 ASN A 83 6.608 -10.166 -11.957 1.00 72.54 O flip ATOM 1277 ND2 ASN A 83 7.153 -11.170 -13.858 1.00 70.14 N flip ATOM 0 H ASN A 83 8.958 -9.662 -11.540 1.00 15.43 H new ATOM 0 HA ASN A 83 8.947 -7.191 -12.877 1.00 55.53 H new ATOM 0 HB2 ASN A 83 7.179 -8.362 -14.313 1.00 14.11 H new ATOM 0 HB3 ASN A 83 8.742 -9.146 -14.190 1.00 14.11 H new ATOM 0 HD21 ASN A 83 7.590 -11.150 -14.780 1.00 70.14 H new ATOM 0 HD22 ASN A 83 6.706 -12.024 -13.524 1.00 70.14 H new ATOM 1284 N ASN A 84 5.803 -7.656 -12.151 1.00 12.43 N ATOM 1285 CA ASN A 84 4.588 -6.987 -11.684 1.00 50.35 C ATOM 1286 C ASN A 84 4.423 -7.103 -10.162 1.00 71.44 C ATOM 1287 O ASN A 84 3.643 -7.917 -9.675 1.00 40.53 O ATOM 1288 CB ASN A 84 3.361 -7.574 -12.389 1.00 32.12 C ATOM 1289 CG ASN A 84 3.275 -7.163 -13.843 1.00 65.50 C ATOM 1290 OD1 ASN A 84 2.569 -6.088 -14.098 1.00 72.31 O flip ATOM 1291 ND2 ASN A 84 3.821 -7.810 -14.725 1.00 73.32 N flip ATOM 0 H ASN A 84 5.640 -8.556 -12.602 1.00 12.43 H new ATOM 0 HA ASN A 84 4.678 -5.929 -11.929 1.00 50.35 H new ATOM 0 HB2 ASN A 84 3.394 -8.662 -12.324 1.00 32.12 H new ATOM 0 HB3 ASN A 84 2.459 -7.251 -11.870 1.00 32.12 H new ATOM 0 HD21 ASN A 84 4.362 -8.641 -14.487 1.00 73.32 H new ATOM 0 HD22 ASN A 84 3.735 -7.519 -15.699 1.00 73.32 H new ATOM 1298 N GLY A 85 5.168 -6.287 -9.422 1.00 32.44 N ATOM 1299 CA GLY A 85 5.080 -6.297 -7.965 1.00 4.13 C ATOM 1300 C GLY A 85 5.062 -4.895 -7.364 1.00 14.30 C ATOM 1301 O GLY A 85 5.833 -4.025 -7.779 1.00 3.45 O ATOM 0 H GLY A 85 5.834 -5.615 -9.803 1.00 32.44 H new ATOM 0 HA2 GLY A 85 4.177 -6.828 -7.664 1.00 4.13 H new ATOM 0 HA3 GLY A 85 5.926 -6.851 -7.558 1.00 4.13 H new ATOM 1305 N LEU A 86 4.170 -4.673 -6.401 1.00 20.33 N ATOM 1306 CA LEU A 86 4.074 -3.388 -5.697 1.00 23.43 C ATOM 1307 C LEU A 86 3.638 -3.600 -4.238 1.00 53.33 C ATOM 1308 O LEU A 86 2.563 -4.141 -3.974 1.00 55.12 O ATOM 1309 CB LEU A 86 3.080 -2.460 -6.412 1.00 31.32 C ATOM 1310 CG LEU A 86 2.936 -1.050 -5.808 1.00 61.43 C ATOM 1311 CD1 LEU A 86 4.261 -0.292 -5.864 1.00 74.41 C ATOM 1312 CD2 LEU A 86 1.841 -0.268 -6.527 1.00 23.31 C ATOM 0 H LEU A 86 3.496 -5.371 -6.085 1.00 20.33 H new ATOM 0 HA LEU A 86 5.059 -2.922 -5.702 1.00 23.43 H new ATOM 0 HB2 LEU A 86 3.387 -2.361 -7.453 1.00 31.32 H new ATOM 0 HB3 LEU A 86 2.100 -2.938 -6.413 1.00 31.32 H new ATOM 0 HG LEU A 86 2.653 -1.159 -4.761 1.00 61.43 H new ATOM 0 HD11 LEU A 86 4.131 0.700 -5.431 1.00 74.41 H new ATOM 0 HD12 LEU A 86 5.017 -0.838 -5.299 1.00 74.41 H new ATOM 0 HD13 LEU A 86 4.582 -0.196 -6.901 1.00 74.41 H new ATOM 0 HD21 LEU A 86 1.754 0.725 -6.086 1.00 23.31 H new ATOM 0 HD22 LEU A 86 2.094 -0.176 -7.583 1.00 23.31 H new ATOM 0 HD23 LEU A 86 0.892 -0.794 -6.426 1.00 23.31 H new ATOM 1324 N LEU A 87 4.478 -3.179 -3.295 1.00 1.41 N ATOM 1325 CA LEU A 87 4.178 -3.337 -1.864 1.00 53.44 C ATOM 1326 C LEU A 87 3.821 -1.994 -1.205 1.00 24.51 C ATOM 1327 O LEU A 87 4.517 -0.997 -1.388 1.00 32.23 O ATOM 1328 CB LEU A 87 5.377 -3.967 -1.139 1.00 64.01 C ATOM 1329 CG LEU A 87 5.188 -4.206 0.370 1.00 60.40 C ATOM 1330 CD1 LEU A 87 4.069 -5.213 0.630 1.00 31.03 C ATOM 1331 CD2 LEU A 87 6.493 -4.665 1.011 1.00 61.21 C ATOM 0 H LEU A 87 5.371 -2.726 -3.490 1.00 1.41 H new ATOM 0 HA LEU A 87 3.312 -3.994 -1.780 1.00 53.44 H new ATOM 0 HB2 LEU A 87 5.607 -4.921 -1.614 1.00 64.01 H new ATOM 0 HB3 LEU A 87 6.245 -3.323 -1.281 1.00 64.01 H new ATOM 0 HG LEU A 87 4.899 -3.260 0.828 1.00 60.40 H new ATOM 0 HD11 LEU A 87 3.957 -5.363 1.704 1.00 31.03 H new ATOM 0 HD12 LEU A 87 3.134 -4.833 0.217 1.00 31.03 H new ATOM 0 HD13 LEU A 87 4.316 -6.162 0.155 1.00 31.03 H new ATOM 0 HD21 LEU A 87 6.337 -4.828 2.077 1.00 61.21 H new ATOM 0 HD22 LEU A 87 6.820 -5.595 0.546 1.00 61.21 H new ATOM 0 HD23 LEU A 87 7.257 -3.900 0.869 1.00 61.21 H new ATOM 1343 N LEU A 88 2.738 -1.984 -0.433 1.00 22.44 N ATOM 1344 CA LEU A 88 2.310 -0.795 0.311 1.00 21.41 C ATOM 1345 C LEU A 88 2.233 -1.083 1.819 1.00 72.15 C ATOM 1346 O LEU A 88 1.388 -1.856 2.270 1.00 23.44 O ATOM 1347 CB LEU A 88 0.942 -0.317 -0.202 1.00 64.20 C ATOM 1348 CG LEU A 88 0.299 0.836 0.591 1.00 64.42 C ATOM 1349 CD1 LEU A 88 1.201 2.070 0.604 1.00 4.53 C ATOM 1350 CD2 LEU A 88 -1.079 1.172 0.021 1.00 2.32 C ATOM 0 H LEU A 88 2.132 -2.794 -0.303 1.00 22.44 H new ATOM 0 HA LEU A 88 3.050 -0.011 0.151 1.00 21.41 H new ATOM 0 HB2 LEU A 88 1.053 -0.003 -1.240 1.00 64.20 H new ATOM 0 HB3 LEU A 88 0.256 -1.164 -0.197 1.00 64.20 H new ATOM 0 HG LEU A 88 0.174 0.509 1.623 1.00 64.42 H new ATOM 0 HD11 LEU A 88 0.720 2.867 1.171 1.00 4.53 H new ATOM 0 HD12 LEU A 88 2.155 1.819 1.069 1.00 4.53 H new ATOM 0 HD13 LEU A 88 1.373 2.406 -0.419 1.00 4.53 H new ATOM 0 HD21 LEU A 88 -1.520 1.989 0.593 1.00 2.32 H new ATOM 0 HD22 LEU A 88 -0.978 1.472 -1.022 1.00 2.32 H new ATOM 0 HD23 LEU A 88 -1.723 0.295 0.085 1.00 2.32 H new ATOM 1362 N VAL A 89 3.120 -0.465 2.593 1.00 45.12 N ATOM 1363 CA VAL A 89 3.138 -0.651 4.052 1.00 32.03 C ATOM 1364 C VAL A 89 2.780 0.647 4.793 1.00 1.31 C ATOM 1365 O VAL A 89 3.381 1.696 4.557 1.00 15.33 O ATOM 1366 CB VAL A 89 4.523 -1.152 4.540 1.00 4.34 C ATOM 1367 CG1 VAL A 89 4.539 -1.332 6.060 1.00 2.15 C ATOM 1368 CG2 VAL A 89 4.904 -2.455 3.837 1.00 72.15 C ATOM 0 H VAL A 89 3.837 0.169 2.241 1.00 45.12 H new ATOM 0 HA VAL A 89 2.385 -1.405 4.279 1.00 32.03 H new ATOM 0 HB VAL A 89 5.264 -0.395 4.284 1.00 4.34 H new ATOM 0 HG11 VAL A 89 5.522 -1.684 6.374 1.00 2.15 H new ATOM 0 HG12 VAL A 89 4.324 -0.378 6.542 1.00 2.15 H new ATOM 0 HG13 VAL A 89 3.783 -2.062 6.348 1.00 2.15 H new ATOM 0 HG21 VAL A 89 5.878 -2.789 4.193 1.00 72.15 H new ATOM 0 HG22 VAL A 89 4.157 -3.218 4.055 1.00 72.15 H new ATOM 0 HG23 VAL A 89 4.949 -2.288 2.761 1.00 72.15 H new ATOM 1378 N LEU A 90 1.794 0.562 5.686 1.00 35.41 N ATOM 1379 CA LEU A 90 1.367 1.700 6.512 1.00 22.30 C ATOM 1380 C LEU A 90 1.757 1.499 7.986 1.00 32.24 C ATOM 1381 O LEU A 90 1.337 0.530 8.625 1.00 1.31 O ATOM 1382 CB LEU A 90 -0.158 1.891 6.403 1.00 1.12 C ATOM 1383 CG LEU A 90 -0.781 2.856 7.433 1.00 34.03 C ATOM 1384 CD1 LEU A 90 -0.337 4.293 7.202 1.00 53.30 C ATOM 1385 CD2 LEU A 90 -2.304 2.758 7.422 1.00 54.23 C ATOM 0 H LEU A 90 1.267 -0.294 5.860 1.00 35.41 H new ATOM 0 HA LEU A 90 1.875 2.590 6.141 1.00 22.30 H new ATOM 0 HB2 LEU A 90 -0.391 2.256 5.402 1.00 1.12 H new ATOM 0 HB3 LEU A 90 -0.637 0.917 6.507 1.00 1.12 H new ATOM 0 HG LEU A 90 -0.421 2.553 8.416 1.00 34.03 H new ATOM 0 HD11 LEU A 90 -0.798 4.941 7.948 1.00 53.30 H new ATOM 0 HD12 LEU A 90 0.748 4.357 7.286 1.00 53.30 H new ATOM 0 HD13 LEU A 90 -0.643 4.613 6.206 1.00 53.30 H new ATOM 0 HD21 LEU A 90 -2.718 3.448 8.157 1.00 54.23 H new ATOM 0 HD22 LEU A 90 -2.678 3.015 6.431 1.00 54.23 H new ATOM 0 HD23 LEU A 90 -2.605 1.740 7.670 1.00 54.23 H new ATOM 1397 N VAL A 91 2.556 2.420 8.522 1.00 12.53 N ATOM 1398 CA VAL A 91 2.937 2.388 9.938 1.00 1.20 C ATOM 1399 C VAL A 91 2.101 3.392 10.750 1.00 4.45 C ATOM 1400 O VAL A 91 2.351 4.595 10.704 1.00 1.24 O ATOM 1401 CB VAL A 91 4.443 2.707 10.124 1.00 41.41 C ATOM 1402 CG1 VAL A 91 4.848 2.617 11.596 1.00 4.13 C ATOM 1403 CG2 VAL A 91 5.297 1.779 9.262 1.00 52.01 C ATOM 0 H VAL A 91 2.954 3.200 7.998 1.00 12.53 H new ATOM 0 HA VAL A 91 2.744 1.379 10.302 1.00 1.20 H new ATOM 0 HB VAL A 91 4.616 3.732 9.797 1.00 41.41 H new ATOM 0 HG11 VAL A 91 5.909 2.846 11.696 1.00 4.13 H new ATOM 0 HG12 VAL A 91 4.266 3.332 12.178 1.00 4.13 H new ATOM 0 HG13 VAL A 91 4.658 1.609 11.965 1.00 4.13 H new ATOM 0 HG21 VAL A 91 6.351 2.017 9.405 1.00 52.01 H new ATOM 0 HG22 VAL A 91 5.116 0.744 9.552 1.00 52.01 H new ATOM 0 HG23 VAL A 91 5.034 1.913 8.213 1.00 52.01 H new ATOM 1413 N LEU A 92 1.116 2.886 11.491 1.00 71.44 N ATOM 1414 CA LEU A 92 0.191 3.727 12.273 1.00 22.23 C ATOM 1415 C LEU A 92 0.935 4.720 13.189 1.00 72.54 C ATOM 1416 O LEU A 92 0.598 5.903 13.248 1.00 63.31 O ATOM 1417 CB LEU A 92 -0.731 2.822 13.108 1.00 15.40 C ATOM 1418 CG LEU A 92 -1.708 3.544 14.051 1.00 51.21 C ATOM 1419 CD1 LEU A 92 -2.692 4.408 13.266 1.00 41.42 C ATOM 1420 CD2 LEU A 92 -2.452 2.538 14.932 1.00 13.15 C ATOM 0 H LEU A 92 0.931 1.886 11.571 1.00 71.44 H new ATOM 0 HA LEU A 92 -0.398 4.321 11.574 1.00 22.23 H new ATOM 0 HB2 LEU A 92 -1.309 2.198 12.427 1.00 15.40 H new ATOM 0 HB3 LEU A 92 -0.109 2.153 13.703 1.00 15.40 H new ATOM 0 HG LEU A 92 -1.127 4.202 14.698 1.00 51.21 H new ATOM 0 HD11 LEU A 92 -3.371 4.907 13.958 1.00 41.42 H new ATOM 0 HD12 LEU A 92 -2.143 5.156 12.694 1.00 41.42 H new ATOM 0 HD13 LEU A 92 -3.266 3.779 12.585 1.00 41.42 H new ATOM 0 HD21 LEU A 92 -3.138 3.069 15.592 1.00 13.15 H new ATOM 0 HD22 LEU A 92 -3.015 1.849 14.302 1.00 13.15 H new ATOM 0 HD23 LEU A 92 -1.734 1.978 15.531 1.00 13.15 H new ATOM 1432 N ASP A 93 1.958 4.226 13.874 1.00 23.15 N ATOM 1433 CA ASP A 93 2.756 5.032 14.806 1.00 34.10 C ATOM 1434 C ASP A 93 3.390 6.257 14.122 1.00 73.54 C ATOM 1435 O ASP A 93 3.574 7.307 14.741 1.00 32.05 O ATOM 1436 CB ASP A 93 3.840 4.139 15.422 1.00 63.22 C ATOM 1437 CG ASP A 93 4.804 4.895 16.313 1.00 52.54 C ATOM 1438 OD1 ASP A 93 4.351 5.490 17.314 1.00 52.21 O ATOM 1439 OD2 ASP A 93 6.021 4.874 16.030 1.00 2.20 O ATOM 0 H ASP A 93 2.263 3.255 13.803 1.00 23.15 H new ATOM 0 HA ASP A 93 2.096 5.417 15.583 1.00 34.10 H new ATOM 0 HB2 ASP A 93 3.364 3.349 16.002 1.00 63.22 H new ATOM 0 HB3 ASP A 93 4.400 3.654 14.622 1.00 63.22 H new ATOM 1444 N GLN A 94 3.713 6.119 12.841 1.00 21.25 N ATOM 1445 CA GLN A 94 4.348 7.201 12.080 1.00 11.22 C ATOM 1446 C GLN A 94 3.405 7.792 11.023 1.00 45.21 C ATOM 1447 O GLN A 94 3.750 8.781 10.380 1.00 52.42 O ATOM 1448 CB GLN A 94 5.613 6.682 11.384 1.00 50.44 C ATOM 1449 CG GLN A 94 6.732 6.267 12.331 1.00 62.44 C ATOM 1450 CD GLN A 94 7.966 5.795 11.581 1.00 33.12 C ATOM 1451 OE1 GLN A 94 8.829 6.587 11.219 1.00 15.45 O ATOM 1452 NE2 GLN A 94 8.060 4.506 11.337 1.00 11.15 N ATOM 0 H GLN A 94 3.547 5.269 12.302 1.00 21.25 H new ATOM 0 HA GLN A 94 4.602 7.988 12.790 1.00 11.22 H new ATOM 0 HB2 GLN A 94 5.345 5.828 10.762 1.00 50.44 H new ATOM 0 HB3 GLN A 94 5.989 7.457 10.716 1.00 50.44 H new ATOM 0 HG2 GLN A 94 6.996 7.109 12.971 1.00 62.44 H new ATOM 0 HG3 GLN A 94 6.377 5.470 12.984 1.00 62.44 H new ATOM 0 HE21 GLN A 94 7.325 3.873 11.651 1.00 11.15 H new ATOM 0 HE22 GLN A 94 8.868 4.140 10.833 1.00 11.15 H new ATOM 1461 N ARG A 95 2.224 7.180 10.854 1.00 74.45 N ATOM 1462 CA ARG A 95 1.283 7.501 9.758 1.00 53.44 C ATOM 1463 C ARG A 95 2.011 7.701 8.410 1.00 24.31 C ATOM 1464 O ARG A 95 1.561 8.449 7.541 1.00 2.32 O ATOM 1465 CB ARG A 95 0.393 8.715 10.110 1.00 1.14 C ATOM 1466 CG ARG A 95 1.141 10.018 10.369 1.00 32.42 C ATOM 1467 CD ARG A 95 0.201 11.129 10.817 1.00 13.31 C ATOM 1468 NE ARG A 95 0.931 12.331 11.206 1.00 64.10 N ATOM 1469 CZ ARG A 95 0.539 13.162 12.130 1.00 70.43 C ATOM 1470 NH1 ARG A 95 -0.548 12.945 12.800 1.00 22.22 N ATOM 1471 NH2 ARG A 95 1.255 14.201 12.396 1.00 30.23 N ATOM 0 H ARG A 95 1.888 6.443 11.475 1.00 74.45 H new ATOM 0 HA ARG A 95 0.627 6.639 9.640 1.00 53.44 H new ATOM 0 HB2 ARG A 95 -0.312 8.876 9.295 1.00 1.14 H new ATOM 0 HB3 ARG A 95 -0.194 8.470 10.995 1.00 1.14 H new ATOM 0 HG2 ARG A 95 1.902 9.855 11.133 1.00 32.42 H new ATOM 0 HG3 ARG A 95 1.661 10.325 9.462 1.00 32.42 H new ATOM 0 HD2 ARG A 95 -0.490 11.369 10.009 1.00 13.31 H new ATOM 0 HD3 ARG A 95 -0.400 10.780 11.657 1.00 13.31 H new ATOM 0 HE ARG A 95 1.806 12.534 10.723 1.00 64.10 H new ATOM 0 HH11 ARG A 95 -1.109 12.115 12.607 1.00 22.22 H new ATOM 0 HH12 ARG A 95 -0.843 13.604 13.521 1.00 22.22 H new ATOM 0 HH21 ARG A 95 2.122 14.368 11.884 1.00 30.23 H new ATOM 0 HH22 ARG A 95 0.955 14.856 13.118 1.00 30.23 H new ATOM 1485 N ARG A 96 3.125 6.985 8.240 1.00 4.21 N ATOM 1486 CA ARG A 96 3.928 7.041 7.010 1.00 41.20 C ATOM 1487 C ARG A 96 3.762 5.759 6.188 1.00 43.11 C ATOM 1488 O ARG A 96 3.677 4.661 6.742 1.00 14.03 O ATOM 1489 CB ARG A 96 5.413 7.238 7.352 1.00 3.12 C ATOM 1490 CG ARG A 96 5.734 8.607 7.938 1.00 52.43 C ATOM 1491 CD ARG A 96 7.142 8.663 8.534 1.00 41.32 C ATOM 1492 NE ARG A 96 7.438 9.970 9.122 1.00 41.33 N ATOM 1493 CZ ARG A 96 7.875 10.159 10.342 1.00 74.33 C ATOM 1494 NH1 ARG A 96 8.146 9.159 11.121 1.00 41.44 N ATOM 1495 NH2 ARG A 96 8.077 11.363 10.767 1.00 42.42 N ATOM 0 H ARG A 96 3.497 6.351 8.947 1.00 4.21 H new ATOM 0 HA ARG A 96 3.575 7.886 6.419 1.00 41.20 H new ATOM 0 HB2 ARG A 96 5.718 6.469 8.062 1.00 3.12 H new ATOM 0 HB3 ARG A 96 6.006 7.092 6.449 1.00 3.12 H new ATOM 0 HG2 ARG A 96 5.640 9.365 7.160 1.00 52.43 H new ATOM 0 HG3 ARG A 96 5.004 8.850 8.710 1.00 52.43 H new ATOM 0 HD2 ARG A 96 7.243 7.891 9.297 1.00 41.32 H new ATOM 0 HD3 ARG A 96 7.873 8.441 7.757 1.00 41.32 H new ATOM 0 HE ARG A 96 7.293 10.794 8.539 1.00 41.33 H new ATOM 0 HH11 ARG A 96 8.020 8.204 10.787 1.00 41.44 H new ATOM 0 HH12 ARG A 96 8.485 9.328 12.068 1.00 41.44 H new ATOM 0 HH21 ARG A 96 7.896 12.157 10.153 1.00 42.42 H new ATOM 0 HH22 ARG A 96 8.417 11.519 11.716 1.00 42.42 H new ATOM 1509 N VAL A 97 3.727 5.906 4.867 1.00 45.34 N ATOM 1510 CA VAL A 97 3.596 4.754 3.963 1.00 35.40 C ATOM 1511 C VAL A 97 4.647 4.807 2.842 1.00 52.15 C ATOM 1512 O VAL A 97 5.258 5.850 2.593 1.00 74.34 O ATOM 1513 CB VAL A 97 2.178 4.676 3.326 1.00 43.11 C ATOM 1514 CG1 VAL A 97 1.097 4.845 4.377 1.00 54.24 C ATOM 1515 CG2 VAL A 97 2.007 5.707 2.207 1.00 72.41 C ATOM 0 H VAL A 97 3.787 6.807 4.393 1.00 45.34 H new ATOM 0 HA VAL A 97 3.757 3.863 4.570 1.00 35.40 H new ATOM 0 HB VAL A 97 2.075 3.684 2.885 1.00 43.11 H new ATOM 0 HG11 VAL A 97 0.117 4.786 3.904 1.00 54.24 H new ATOM 0 HG12 VAL A 97 1.188 4.055 5.123 1.00 54.24 H new ATOM 0 HG13 VAL A 97 1.209 5.815 4.861 1.00 54.24 H new ATOM 0 HG21 VAL A 97 1.005 5.624 1.785 1.00 72.41 H new ATOM 0 HG22 VAL A 97 2.148 6.709 2.611 1.00 72.41 H new ATOM 0 HG23 VAL A 97 2.746 5.523 1.427 1.00 72.41 H new ATOM 1525 N ARG A 98 4.861 3.674 2.177 1.00 22.14 N ATOM 1526 CA ARG A 98 5.776 3.603 1.030 1.00 64.03 C ATOM 1527 C ARG A 98 5.313 2.554 0.011 1.00 1.21 C ATOM 1528 O ARG A 98 4.895 1.457 0.381 1.00 22.21 O ATOM 1529 CB ARG A 98 7.214 3.282 1.485 1.00 11.03 C ATOM 1530 CG ARG A 98 8.166 2.955 0.330 1.00 35.51 C ATOM 1531 CD ARG A 98 9.605 2.733 0.793 1.00 3.54 C ATOM 1532 NE ARG A 98 10.440 2.178 -0.278 1.00 13.42 N ATOM 1533 CZ ARG A 98 11.285 2.866 -1.006 1.00 1.23 C ATOM 1534 NH1 ARG A 98 11.477 4.129 -0.783 1.00 14.20 N ATOM 1535 NH2 ARG A 98 11.940 2.279 -1.957 1.00 4.35 N ATOM 0 H ARG A 98 4.414 2.788 2.410 1.00 22.14 H new ATOM 0 HA ARG A 98 5.767 4.583 0.552 1.00 64.03 H new ATOM 0 HB2 ARG A 98 7.609 4.133 2.040 1.00 11.03 H new ATOM 0 HB3 ARG A 98 7.188 2.437 2.173 1.00 11.03 H new ATOM 0 HG2 ARG A 98 7.813 2.061 -0.184 1.00 35.51 H new ATOM 0 HG3 ARG A 98 8.144 3.769 -0.395 1.00 35.51 H new ATOM 0 HD2 ARG A 98 10.028 3.679 1.132 1.00 3.54 H new ATOM 0 HD3 ARG A 98 9.612 2.056 1.648 1.00 3.54 H new ATOM 0 HE ARG A 98 10.356 1.180 -0.471 1.00 13.42 H new ATOM 0 HH11 ARG A 98 10.968 4.598 -0.034 1.00 14.20 H new ATOM 0 HH12 ARG A 98 12.137 4.654 -1.357 1.00 14.20 H new ATOM 0 HH21 ARG A 98 11.797 1.285 -2.137 1.00 4.35 H new ATOM 0 HH22 ARG A 98 12.599 2.811 -2.526 1.00 4.35 H new ATOM 1549 N PHE A 99 5.386 2.912 -1.271 1.00 12.05 N ATOM 1550 CA PHE A 99 5.118 1.975 -2.367 1.00 63.22 C ATOM 1551 C PHE A 99 6.442 1.455 -2.954 1.00 20.35 C ATOM 1552 O PHE A 99 7.214 2.222 -3.534 1.00 74.41 O ATOM 1553 CB PHE A 99 4.308 2.657 -3.480 1.00 24.21 C ATOM 1554 CG PHE A 99 2.938 3.141 -3.070 1.00 52.43 C ATOM 1555 CD1 PHE A 99 2.774 4.373 -2.449 1.00 25.53 C ATOM 1556 CD2 PHE A 99 1.811 2.370 -3.324 1.00 2.04 C ATOM 1557 CE1 PHE A 99 1.518 4.821 -2.088 1.00 23.11 C ATOM 1558 CE2 PHE A 99 0.553 2.816 -2.968 1.00 73.01 C ATOM 1559 CZ PHE A 99 0.407 4.043 -2.350 1.00 24.41 C ATOM 0 H PHE A 99 5.631 3.853 -1.580 1.00 12.05 H new ATOM 0 HA PHE A 99 4.541 1.142 -1.966 1.00 63.22 H new ATOM 0 HB2 PHE A 99 4.879 3.506 -3.855 1.00 24.21 H new ATOM 0 HB3 PHE A 99 4.196 1.957 -4.308 1.00 24.21 H new ATOM 0 HD1 PHE A 99 3.639 4.988 -2.246 1.00 25.53 H new ATOM 0 HD2 PHE A 99 1.920 1.410 -3.806 1.00 2.04 H new ATOM 0 HE1 PHE A 99 1.405 5.779 -1.601 1.00 23.11 H new ATOM 0 HE2 PHE A 99 -0.315 2.207 -3.172 1.00 73.01 H new ATOM 0 HZ PHE A 99 -0.576 4.394 -2.072 1.00 24.41 H new ATOM 1569 N GLU A 100 6.709 0.163 -2.786 1.00 52.34 N ATOM 1570 CA GLU A 100 7.936 -0.452 -3.317 1.00 13.33 C ATOM 1571 C GLU A 100 7.660 -1.105 -4.685 1.00 5.23 C ATOM 1572 O GLU A 100 6.894 -2.068 -4.773 1.00 0.02 O ATOM 1573 CB GLU A 100 8.471 -1.504 -2.329 1.00 72.11 C ATOM 1574 CG GLU A 100 9.922 -1.922 -2.577 1.00 72.33 C ATOM 1575 CD GLU A 100 10.914 -0.808 -2.260 1.00 52.30 C ATOM 1576 OE1 GLU A 100 11.098 -0.495 -1.067 1.00 72.44 O ATOM 1577 OE2 GLU A 100 11.502 -0.228 -3.195 1.00 71.40 O ATOM 0 H GLU A 100 6.097 -0.483 -2.288 1.00 52.34 H new ATOM 0 HA GLU A 100 8.688 0.327 -3.447 1.00 13.33 H new ATOM 0 HB2 GLU A 100 8.387 -1.110 -1.316 1.00 72.11 H new ATOM 0 HB3 GLU A 100 7.837 -2.389 -2.380 1.00 72.11 H new ATOM 0 HG2 GLU A 100 10.154 -2.795 -1.967 1.00 72.33 H new ATOM 0 HG3 GLU A 100 10.037 -2.221 -3.619 1.00 72.33 H new ATOM 1584 N THR A 101 8.275 -0.573 -5.745 1.00 41.25 N ATOM 1585 CA THR A 101 8.040 -1.060 -7.118 1.00 61.33 C ATOM 1586 C THR A 101 8.988 -2.189 -7.528 1.00 42.13 C ATOM 1587 O THR A 101 10.145 -2.253 -7.103 1.00 2.22 O ATOM 1588 CB THR A 101 8.169 0.074 -8.175 1.00 33.04 C ATOM 1589 OG1 THR A 101 9.132 1.050 -7.751 1.00 1.35 O ATOM 1590 CG2 THR A 101 6.828 0.747 -8.442 1.00 21.33 C ATOM 0 H THR A 101 8.942 0.197 -5.684 1.00 41.25 H new ATOM 0 HA THR A 101 7.019 -1.441 -7.098 1.00 61.33 H new ATOM 0 HB THR A 101 8.508 -0.383 -9.105 1.00 33.04 H new ATOM 0 HG1 THR A 101 9.202 1.755 -8.428 1.00 1.35 H new ATOM 0 HG21 THR A 101 6.957 1.534 -9.185 1.00 21.33 H new ATOM 0 HG22 THR A 101 6.118 0.009 -8.815 1.00 21.33 H new ATOM 0 HG23 THR A 101 6.448 1.181 -7.517 1.00 21.33 H new ATOM 1598 N GLY A 102 8.472 -3.083 -8.367 1.00 24.42 N ATOM 1599 CA GLY A 102 9.302 -4.085 -9.011 1.00 2.01 C ATOM 1600 C GLY A 102 9.706 -3.688 -10.421 1.00 34.03 C ATOM 1601 O GLY A 102 9.277 -2.653 -10.945 1.00 44.43 O ATOM 0 H GLY A 102 7.483 -3.130 -8.614 1.00 24.42 H new ATOM 0 HA2 GLY A 102 10.198 -4.249 -8.412 1.00 2.01 H new ATOM 0 HA3 GLY A 102 8.763 -5.032 -9.044 1.00 2.01 H new ATOM 1605 N TYR A 103 10.492 -4.544 -11.052 1.00 11.51 N ATOM 1606 CA TYR A 103 11.056 -4.281 -12.373 1.00 14.04 C ATOM 1607 C TYR A 103 9.969 -4.128 -13.458 1.00 61.33 C ATOM 1608 O TYR A 103 10.209 -3.550 -14.518 1.00 73.11 O ATOM 1609 CB TYR A 103 12.020 -5.424 -12.717 1.00 45.34 C ATOM 1610 CG TYR A 103 12.486 -5.445 -14.154 1.00 5.45 C ATOM 1611 CD1 TYR A 103 13.424 -4.534 -14.616 1.00 23.41 C ATOM 1612 CD2 TYR A 103 11.986 -6.385 -15.045 1.00 71.22 C ATOM 1613 CE1 TYR A 103 13.854 -4.559 -15.929 1.00 31.32 C ATOM 1614 CE2 TYR A 103 12.407 -6.418 -16.359 1.00 0.21 C ATOM 1615 CZ TYR A 103 13.343 -5.502 -16.795 1.00 14.53 C ATOM 1616 OH TYR A 103 13.773 -5.530 -18.105 1.00 53.04 O ATOM 0 H TYR A 103 10.761 -5.448 -10.663 1.00 11.51 H new ATOM 0 HA TYR A 103 11.588 -3.330 -12.347 1.00 14.04 H new ATOM 0 HB2 TYR A 103 12.892 -5.354 -12.067 1.00 45.34 H new ATOM 0 HB3 TYR A 103 11.532 -6.373 -12.494 1.00 45.34 H new ATOM 0 HD1 TYR A 103 13.825 -3.794 -13.939 1.00 23.41 H new ATOM 0 HD2 TYR A 103 11.255 -7.103 -14.704 1.00 71.22 H new ATOM 0 HE1 TYR A 103 14.586 -3.844 -16.275 1.00 31.32 H new ATOM 0 HE2 TYR A 103 12.007 -7.154 -17.040 1.00 0.21 H new ATOM 0 HH TYR A 103 13.318 -6.254 -18.583 1.00 53.04 H new ATOM 1626 N GLY A 104 8.771 -4.627 -13.180 1.00 61.12 N ATOM 1627 CA GLY A 104 7.691 -4.585 -14.163 1.00 24.31 C ATOM 1628 C GLY A 104 6.875 -3.298 -14.109 1.00 23.15 C ATOM 1629 O GLY A 104 6.163 -2.962 -15.060 1.00 23.21 O ATOM 0 H GLY A 104 8.522 -5.062 -12.292 1.00 61.12 H new ATOM 0 HA2 GLY A 104 8.114 -4.697 -15.161 1.00 24.31 H new ATOM 0 HA3 GLY A 104 7.028 -5.434 -14.000 1.00 24.31 H new ATOM 1633 N LEU A 105 6.974 -2.573 -12.993 1.00 2.51 N ATOM 1634 CA LEU A 105 6.168 -1.363 -12.779 1.00 35.21 C ATOM 1635 C LEU A 105 7.008 -0.077 -12.784 1.00 11.11 C ATOM 1636 O LEU A 105 6.456 1.014 -12.703 1.00 1.52 O ATOM 1637 CB LEU A 105 5.399 -1.466 -11.456 1.00 4.54 C ATOM 1638 CG LEU A 105 4.385 -2.616 -11.372 1.00 61.34 C ATOM 1639 CD1 LEU A 105 3.695 -2.616 -10.013 1.00 3.31 C ATOM 1640 CD2 LEU A 105 3.361 -2.520 -12.504 1.00 72.01 C ATOM 0 H LEU A 105 7.603 -2.800 -12.223 1.00 2.51 H new ATOM 0 HA LEU A 105 5.472 -1.300 -13.615 1.00 35.21 H new ATOM 0 HB2 LEU A 105 6.118 -1.578 -10.645 1.00 4.54 H new ATOM 0 HB3 LEU A 105 4.872 -0.527 -11.287 1.00 4.54 H new ATOM 0 HG LEU A 105 4.921 -3.558 -11.484 1.00 61.34 H new ATOM 0 HD11 LEU A 105 2.979 -3.437 -9.968 1.00 3.31 H new ATOM 0 HD12 LEU A 105 4.440 -2.741 -9.227 1.00 3.31 H new ATOM 0 HD13 LEU A 105 3.172 -1.670 -9.870 1.00 3.31 H new ATOM 0 HD21 LEU A 105 2.653 -3.345 -12.425 1.00 72.01 H new ATOM 0 HD22 LEU A 105 2.826 -1.573 -12.431 1.00 72.01 H new ATOM 0 HD23 LEU A 105 3.874 -2.573 -13.464 1.00 72.01 H new ATOM 1652 N GLU A 106 8.330 -0.195 -12.881 1.00 23.11 N ATOM 1653 CA GLU A 106 9.207 0.990 -12.902 1.00 14.02 C ATOM 1654 C GLU A 106 8.872 1.940 -14.074 1.00 30.02 C ATOM 1655 O GLU A 106 9.050 3.157 -13.973 1.00 10.50 O ATOM 1656 CB GLU A 106 10.682 0.565 -12.950 1.00 53.42 C ATOM 1657 CG GLU A 106 11.007 -0.452 -14.039 1.00 71.12 C ATOM 1658 CD GLU A 106 12.479 -0.840 -14.055 1.00 70.34 C ATOM 1659 OE1 GLU A 106 12.956 -1.429 -13.064 1.00 44.14 O ATOM 1660 OE2 GLU A 106 13.174 -0.537 -15.048 1.00 62.14 O ATOM 0 H GLU A 106 8.821 -1.087 -12.946 1.00 23.11 H new ATOM 0 HA GLU A 106 9.030 1.544 -11.980 1.00 14.02 H new ATOM 0 HB2 GLU A 106 11.299 1.451 -13.101 1.00 53.42 H new ATOM 0 HB3 GLU A 106 10.959 0.145 -11.983 1.00 53.42 H new ATOM 0 HG2 GLU A 106 10.401 -1.346 -13.890 1.00 71.12 H new ATOM 0 HG3 GLU A 106 10.733 -0.040 -15.010 1.00 71.12 H new ATOM 1667 N GLY A 107 8.385 1.381 -15.182 1.00 60.34 N ATOM 1668 CA GLY A 107 7.925 2.203 -16.303 1.00 55.22 C ATOM 1669 C GLY A 107 6.555 2.842 -16.056 1.00 45.51 C ATOM 1670 O GLY A 107 6.178 3.804 -16.724 1.00 44.42 O ATOM 0 H GLY A 107 8.299 0.375 -15.328 1.00 60.34 H new ATOM 0 HA2 GLY A 107 8.656 2.988 -16.494 1.00 55.22 H new ATOM 0 HA3 GLY A 107 7.876 1.587 -17.201 1.00 55.22 H new ATOM 1674 N TYR A 108 5.816 2.299 -15.090 1.00 12.43 N ATOM 1675 CA TYR A 108 4.481 2.800 -14.730 1.00 34.32 C ATOM 1676 C TYR A 108 4.544 3.821 -13.587 1.00 71.12 C ATOM 1677 O TYR A 108 4.086 4.956 -13.718 1.00 23.23 O ATOM 1678 CB TYR A 108 3.580 1.634 -14.284 1.00 63.31 C ATOM 1679 CG TYR A 108 3.030 0.787 -15.411 1.00 40.03 C ATOM 1680 CD1 TYR A 108 3.835 -0.106 -16.108 1.00 54.51 C ATOM 1681 CD2 TYR A 108 1.690 0.877 -15.766 1.00 32.03 C ATOM 1682 CE1 TYR A 108 3.321 -0.879 -17.130 1.00 45.05 C ATOM 1683 CE2 TYR A 108 1.169 0.108 -16.782 1.00 75.12 C ATOM 1684 CZ TYR A 108 1.986 -0.767 -17.462 1.00 32.54 C ATOM 1685 OH TYR A 108 1.461 -1.528 -18.483 1.00 60.42 O ATOM 0 H TYR A 108 6.121 1.501 -14.533 1.00 12.43 H new ATOM 0 HA TYR A 108 4.073 3.285 -15.617 1.00 34.32 H new ATOM 0 HB2 TYR A 108 4.148 0.992 -13.610 1.00 63.31 H new ATOM 0 HB3 TYR A 108 2.745 2.038 -13.711 1.00 63.31 H new ATOM 0 HD1 TYR A 108 4.879 -0.197 -15.846 1.00 54.51 H new ATOM 0 HD2 TYR A 108 1.046 1.562 -15.236 1.00 32.03 H new ATOM 0 HE1 TYR A 108 3.959 -1.566 -17.666 1.00 45.05 H new ATOM 0 HE2 TYR A 108 0.125 0.191 -17.044 1.00 75.12 H new ATOM 0 HH TYR A 108 0.507 -1.326 -18.584 1.00 60.42 H new ATOM 1695 N LEU A 109 5.111 3.392 -12.464 1.00 3.41 N ATOM 1696 CA LEU A 109 5.049 4.140 -11.207 1.00 74.14 C ATOM 1697 C LEU A 109 6.445 4.527 -10.690 1.00 34.50 C ATOM 1698 O LEU A 109 7.073 3.769 -9.946 1.00 62.33 O ATOM 1699 CB LEU A 109 4.331 3.280 -10.160 1.00 64.42 C ATOM 1700 CG LEU A 109 2.926 2.795 -10.564 1.00 32.31 C ATOM 1701 CD1 LEU A 109 2.544 1.542 -9.784 1.00 74.23 C ATOM 1702 CD2 LEU A 109 1.889 3.899 -10.355 1.00 75.04 C ATOM 0 H LEU A 109 5.628 2.515 -12.397 1.00 3.41 H new ATOM 0 HA LEU A 109 4.505 5.067 -11.388 1.00 74.14 H new ATOM 0 HB2 LEU A 109 4.950 2.410 -9.941 1.00 64.42 H new ATOM 0 HB3 LEU A 109 4.249 3.853 -9.236 1.00 64.42 H new ATOM 0 HG LEU A 109 2.945 2.545 -11.625 1.00 32.31 H new ATOM 0 HD11 LEU A 109 1.548 1.216 -10.084 1.00 74.23 H new ATOM 0 HD12 LEU A 109 3.263 0.750 -9.993 1.00 74.23 H new ATOM 0 HD13 LEU A 109 2.547 1.763 -8.717 1.00 74.23 H new ATOM 0 HD21 LEU A 109 0.905 3.533 -10.647 1.00 75.04 H new ATOM 0 HD22 LEU A 109 1.872 4.188 -9.304 1.00 75.04 H new ATOM 0 HD23 LEU A 109 2.150 4.764 -10.965 1.00 75.04 H new ATOM 1714 N PRO A 110 6.971 5.696 -11.103 1.00 11.22 N ATOM 1715 CA PRO A 110 8.219 6.238 -10.541 1.00 43.34 C ATOM 1716 C PRO A 110 8.054 6.618 -9.061 1.00 21.04 C ATOM 1717 O PRO A 110 6.972 7.040 -8.643 1.00 14.24 O ATOM 1718 CB PRO A 110 8.488 7.493 -11.395 1.00 45.34 C ATOM 1719 CG PRO A 110 7.626 7.341 -12.604 1.00 61.52 C ATOM 1720 CD PRO A 110 6.421 6.565 -12.156 1.00 64.44 C ATOM 0 HA PRO A 110 9.034 5.515 -10.569 1.00 43.34 H new ATOM 0 HB2 PRO A 110 8.240 8.402 -10.847 1.00 45.34 H new ATOM 0 HB3 PRO A 110 9.541 7.564 -11.669 1.00 45.34 H new ATOM 0 HG2 PRO A 110 7.338 8.314 -13.003 1.00 61.52 H new ATOM 0 HG3 PRO A 110 8.156 6.815 -13.398 1.00 61.52 H new ATOM 0 HD2 PRO A 110 5.637 7.219 -11.773 1.00 64.44 H new ATOM 0 HD3 PRO A 110 5.985 5.988 -12.971 1.00 64.44 H new ATOM 1728 N ASP A 111 9.122 6.497 -8.272 1.00 35.24 N ATOM 1729 CA ASP A 111 9.054 6.808 -6.837 1.00 71.22 C ATOM 1730 C ASP A 111 8.579 8.257 -6.597 1.00 62.31 C ATOM 1731 O ASP A 111 7.973 8.565 -5.567 1.00 62.34 O ATOM 1732 CB ASP A 111 10.414 6.558 -6.173 1.00 2.34 C ATOM 1733 CG ASP A 111 11.526 7.372 -6.804 1.00 12.10 C ATOM 1734 OD1 ASP A 111 11.953 7.033 -7.928 1.00 74.35 O ATOM 1735 OD2 ASP A 111 11.974 8.358 -6.184 1.00 2.35 O ATOM 0 H ASP A 111 10.039 6.189 -8.595 1.00 35.24 H new ATOM 0 HA ASP A 111 8.319 6.145 -6.381 1.00 71.22 H new ATOM 0 HB2 ASP A 111 10.347 6.801 -5.113 1.00 2.34 H new ATOM 0 HB3 ASP A 111 10.659 5.498 -6.242 1.00 2.34 H new ATOM 1740 N GLY A 112 8.847 9.139 -7.563 1.00 13.31 N ATOM 1741 CA GLY A 112 8.329 10.501 -7.506 1.00 23.33 C ATOM 1742 C GLY A 112 6.807 10.556 -7.633 1.00 54.04 C ATOM 1743 O GLY A 112 6.131 11.204 -6.830 1.00 12.25 O ATOM 0 H GLY A 112 9.415 8.934 -8.385 1.00 13.31 H new ATOM 0 HA2 GLY A 112 8.628 10.961 -6.564 1.00 23.33 H new ATOM 0 HA3 GLY A 112 8.778 11.091 -8.305 1.00 23.33 H new ATOM 1747 N LEU A 113 6.265 9.868 -8.646 1.00 74.30 N ATOM 1748 CA LEU A 113 4.809 9.737 -8.815 1.00 45.43 C ATOM 1749 C LEU A 113 4.162 9.113 -7.568 1.00 72.10 C ATOM 1750 O LEU A 113 3.126 9.576 -7.088 1.00 32.11 O ATOM 1751 CB LEU A 113 4.497 8.880 -10.056 1.00 63.50 C ATOM 1752 CG LEU A 113 3.014 8.512 -10.261 1.00 33.35 C ATOM 1753 CD1 LEU A 113 2.150 9.763 -10.408 1.00 24.00 C ATOM 1754 CD2 LEU A 113 2.849 7.598 -11.474 1.00 22.22 C ATOM 0 H LEU A 113 6.813 9.392 -9.363 1.00 74.30 H new ATOM 0 HA LEU A 113 4.391 10.734 -8.952 1.00 45.43 H new ATOM 0 HB2 LEU A 113 4.845 9.414 -10.940 1.00 63.50 H new ATOM 0 HB3 LEU A 113 5.075 7.958 -9.993 1.00 63.50 H new ATOM 0 HG LEU A 113 2.677 7.974 -9.375 1.00 33.35 H new ATOM 0 HD11 LEU A 113 1.109 9.472 -10.551 1.00 24.00 H new ATOM 0 HD12 LEU A 113 2.236 10.372 -9.508 1.00 24.00 H new ATOM 0 HD13 LEU A 113 2.487 10.339 -11.270 1.00 24.00 H new ATOM 0 HD21 LEU A 113 1.795 7.350 -11.602 1.00 22.22 H new ATOM 0 HD22 LEU A 113 3.212 8.108 -12.366 1.00 22.22 H new ATOM 0 HD23 LEU A 113 3.421 6.683 -11.321 1.00 22.22 H new ATOM 1766 N LEU A 114 4.788 8.062 -7.043 1.00 52.21 N ATOM 1767 CA LEU A 114 4.325 7.411 -5.812 1.00 13.04 C ATOM 1768 C LEU A 114 4.285 8.406 -4.642 1.00 1.14 C ATOM 1769 O LEU A 114 3.325 8.434 -3.871 1.00 45.22 O ATOM 1770 CB LEU A 114 5.236 6.221 -5.478 1.00 44.12 C ATOM 1771 CG LEU A 114 5.272 5.117 -6.548 1.00 22.32 C ATOM 1772 CD1 LEU A 114 6.304 4.050 -6.195 1.00 21.42 C ATOM 1773 CD2 LEU A 114 3.887 4.497 -6.722 1.00 23.13 C ATOM 0 H LEU A 114 5.622 7.639 -7.451 1.00 52.21 H new ATOM 0 HA LEU A 114 3.310 7.047 -5.973 1.00 13.04 H new ATOM 0 HB2 LEU A 114 6.250 6.590 -5.322 1.00 44.12 H new ATOM 0 HB3 LEU A 114 4.908 5.783 -4.535 1.00 44.12 H new ATOM 0 HG LEU A 114 5.568 5.568 -7.495 1.00 22.32 H new ATOM 0 HD11 LEU A 114 6.310 3.280 -6.967 1.00 21.42 H new ATOM 0 HD12 LEU A 114 7.292 4.507 -6.130 1.00 21.42 H new ATOM 0 HD13 LEU A 114 6.048 3.600 -5.236 1.00 21.42 H new ATOM 0 HD21 LEU A 114 3.930 3.718 -7.483 1.00 23.13 H new ATOM 0 HD22 LEU A 114 3.561 4.063 -5.777 1.00 23.13 H new ATOM 0 HD23 LEU A 114 3.180 5.267 -7.031 1.00 23.13 H new ATOM 1785 N SER A 115 5.326 9.232 -4.526 1.00 44.43 N ATOM 1786 CA SER A 115 5.372 10.286 -3.496 1.00 21.22 C ATOM 1787 C SER A 115 4.248 11.308 -3.701 1.00 33.04 C ATOM 1788 O SER A 115 3.669 11.815 -2.735 1.00 51.44 O ATOM 1789 CB SER A 115 6.731 11.000 -3.503 1.00 41.34 C ATOM 1790 OG SER A 115 7.782 10.110 -3.159 1.00 3.50 O ATOM 0 H SER A 115 6.149 9.197 -5.128 1.00 44.43 H new ATOM 0 HA SER A 115 5.232 9.804 -2.528 1.00 21.22 H new ATOM 0 HB2 SER A 115 6.917 11.422 -4.490 1.00 41.34 H new ATOM 0 HB3 SER A 115 6.711 11.832 -2.799 1.00 41.34 H new ATOM 0 HG SER A 115 7.969 9.516 -3.916 1.00 3.50 H new ATOM 1796 N ARG A 116 3.943 11.607 -4.964 1.00 70.34 N ATOM 1797 CA ARG A 116 2.817 12.479 -5.299 1.00 23.44 C ATOM 1798 C ARG A 116 1.506 11.874 -4.777 1.00 72.04 C ATOM 1799 O ARG A 116 0.767 12.519 -4.037 1.00 10.45 O ATOM 1800 CB ARG A 116 2.731 12.689 -6.818 1.00 22.24 C ATOM 1801 CG ARG A 116 1.703 13.736 -7.244 1.00 61.21 C ATOM 1802 CD ARG A 116 1.568 13.814 -8.762 1.00 34.24 C ATOM 1803 NE ARG A 116 0.751 14.951 -9.189 1.00 12.02 N ATOM 1804 CZ ARG A 116 -0.230 14.875 -10.050 1.00 50.41 C ATOM 1805 NH1 ARG A 116 -0.592 13.733 -10.539 1.00 10.11 N ATOM 1806 NH2 ARG A 116 -0.850 15.949 -10.419 1.00 24.44 N ATOM 0 H ARG A 116 4.460 11.258 -5.771 1.00 70.34 H new ATOM 0 HA ARG A 116 2.976 13.446 -4.823 1.00 23.44 H new ATOM 0 HB2 ARG A 116 3.712 12.986 -7.189 1.00 22.24 H new ATOM 0 HB3 ARG A 116 2.485 11.739 -7.292 1.00 22.24 H new ATOM 0 HG2 ARG A 116 0.735 13.494 -6.805 1.00 61.21 H new ATOM 0 HG3 ARG A 116 1.995 14.711 -6.855 1.00 61.21 H new ATOM 0 HD2 ARG A 116 2.559 13.893 -9.209 1.00 34.24 H new ATOM 0 HD3 ARG A 116 1.124 12.890 -9.133 1.00 34.24 H new ATOM 0 HE ARG A 116 0.961 15.865 -8.788 1.00 12.02 H new ATOM 0 HH11 ARG A 116 -0.111 12.880 -10.253 1.00 10.11 H new ATOM 0 HH12 ARG A 116 -1.359 13.686 -11.210 1.00 10.11 H new ATOM 0 HH21 ARG A 116 -0.573 16.854 -10.038 1.00 24.44 H new ATOM 0 HH22 ARG A 116 -1.615 15.891 -11.091 1.00 24.44 H new ATOM 1820 N ILE A 117 1.245 10.615 -5.145 1.00 55.30 N ATOM 1821 CA ILE A 117 0.066 9.881 -4.664 1.00 60.25 C ATOM 1822 C ILE A 117 -0.037 9.936 -3.130 1.00 73.22 C ATOM 1823 O ILE A 117 -1.119 10.132 -2.575 1.00 35.10 O ATOM 1824 CB ILE A 117 0.098 8.395 -5.117 1.00 4.40 C ATOM 1825 CG1 ILE A 117 0.137 8.303 -6.654 1.00 63.04 C ATOM 1826 CG2 ILE A 117 -1.105 7.630 -4.559 1.00 22.42 C ATOM 1827 CD1 ILE A 117 0.224 6.885 -7.184 1.00 42.34 C ATOM 0 H ILE A 117 1.838 10.079 -5.779 1.00 55.30 H new ATOM 0 HA ILE A 117 -0.806 10.367 -5.101 1.00 60.25 H new ATOM 0 HB ILE A 117 1.003 7.935 -4.721 1.00 4.40 H new ATOM 0 HG12 ILE A 117 -0.757 8.777 -7.059 1.00 63.04 H new ATOM 0 HG13 ILE A 117 0.993 8.870 -7.020 1.00 63.04 H new ATOM 0 HG21 ILE A 117 -1.061 6.592 -4.889 1.00 22.42 H new ATOM 0 HG22 ILE A 117 -1.085 7.665 -3.470 1.00 22.42 H new ATOM 0 HG23 ILE A 117 -2.026 8.087 -4.920 1.00 22.42 H new ATOM 0 HD11 ILE A 117 0.247 6.905 -8.274 1.00 42.34 H new ATOM 0 HD12 ILE A 117 1.132 6.412 -6.810 1.00 42.34 H new ATOM 0 HD13 ILE A 117 -0.645 6.318 -6.850 1.00 42.34 H new ATOM 1839 N ILE A 118 1.099 9.770 -2.452 1.00 12.13 N ATOM 1840 CA ILE A 118 1.142 9.869 -0.990 1.00 51.24 C ATOM 1841 C ILE A 118 0.654 11.248 -0.503 1.00 11.45 C ATOM 1842 O ILE A 118 -0.291 11.342 0.276 1.00 34.35 O ATOM 1843 CB ILE A 118 2.570 9.597 -0.441 1.00 1.23 C ATOM 1844 CG1 ILE A 118 3.014 8.163 -0.785 1.00 2.51 C ATOM 1845 CG2 ILE A 118 2.627 9.831 1.072 1.00 34.43 C ATOM 1846 CD1 ILE A 118 4.424 7.829 -0.333 1.00 12.44 C ATOM 0 H ILE A 118 1.999 9.567 -2.888 1.00 12.13 H new ATOM 0 HA ILE A 118 0.469 9.103 -0.605 1.00 51.24 H new ATOM 0 HB ILE A 118 3.258 10.296 -0.917 1.00 1.23 H new ATOM 0 HG12 ILE A 118 2.320 7.459 -0.326 1.00 2.51 H new ATOM 0 HG13 ILE A 118 2.946 8.021 -1.864 1.00 2.51 H new ATOM 0 HG21 ILE A 118 3.637 9.634 1.433 1.00 34.43 H new ATOM 0 HG22 ILE A 118 2.359 10.865 1.291 1.00 34.43 H new ATOM 0 HG23 ILE A 118 1.927 9.161 1.570 1.00 34.43 H new ATOM 0 HD11 ILE A 118 4.662 6.802 -0.612 1.00 12.44 H new ATOM 0 HD12 ILE A 118 5.130 8.508 -0.812 1.00 12.44 H new ATOM 0 HD13 ILE A 118 4.494 7.937 0.749 1.00 12.44 H new ATOM 1858 N HIS A 119 1.272 12.321 -0.988 1.00 5.31 N ATOM 1859 CA HIS A 119 0.918 13.680 -0.541 1.00 72.14 C ATOM 1860 C HIS A 119 -0.400 14.181 -1.163 1.00 70.14 C ATOM 1861 O HIS A 119 -0.931 15.223 -0.767 1.00 44.44 O ATOM 1862 CB HIS A 119 2.054 14.654 -0.861 1.00 42.52 C ATOM 1863 CG HIS A 119 3.285 14.433 -0.037 1.00 11.34 C ATOM 1864 ND1 HIS A 119 4.321 13.578 -0.203 1.00 41.24 N flip ATOM 1865 CD2 HIS A 119 3.564 15.142 1.113 1.00 23.25 C flip ATOM 1866 CE1 HIS A 119 5.191 13.787 0.835 1.00 13.31 C flip ATOM 1867 NE2 HIS A 119 4.712 14.735 1.613 1.00 72.05 N flip ATOM 0 H HIS A 119 2.016 12.285 -1.685 1.00 5.31 H new ATOM 0 HA HIS A 119 0.768 13.634 0.538 1.00 72.14 H new ATOM 0 HB2 HIS A 119 2.312 14.563 -1.916 1.00 42.52 H new ATOM 0 HB3 HIS A 119 1.701 15.674 -0.706 1.00 42.52 H new ATOM 0 HD1 HIS A 119 4.433 12.904 -0.960 1.00 41.24 H new ATOM 0 HD2 HIS A 119 2.937 15.912 1.538 1.00 23.25 H new ATOM 0 HE1 HIS A 119 6.120 13.259 0.990 1.00 13.31 H new ATOM 1876 N ASP A 120 -0.919 13.442 -2.138 1.00 74.23 N ATOM 1877 CA ASP A 120 -2.168 13.809 -2.814 1.00 44.43 C ATOM 1878 C ASP A 120 -3.394 13.097 -2.200 1.00 24.44 C ATOM 1879 O ASP A 120 -4.425 13.727 -1.950 1.00 35.24 O ATOM 1880 CB ASP A 120 -2.051 13.480 -4.312 1.00 23.10 C ATOM 1881 CG ASP A 120 -3.245 13.954 -5.124 1.00 51.22 C ATOM 1882 OD1 ASP A 120 -3.549 15.164 -5.091 1.00 1.24 O ATOM 1883 OD2 ASP A 120 -3.871 13.123 -5.818 1.00 62.23 O ATOM 0 H ASP A 120 -0.495 12.581 -2.482 1.00 74.23 H new ATOM 0 HA ASP A 120 -2.323 14.880 -2.680 1.00 44.43 H new ATOM 0 HB2 ASP A 120 -1.145 13.939 -4.708 1.00 23.10 H new ATOM 0 HB3 ASP A 120 -1.942 12.402 -4.433 1.00 23.10 H new ATOM 1888 N ARG A 121 -3.278 11.790 -1.946 1.00 2.22 N ATOM 1889 CA ARG A 121 -4.439 10.977 -1.524 1.00 65.42 C ATOM 1890 C ARG A 121 -4.190 10.167 -0.233 1.00 4.23 C ATOM 1891 O ARG A 121 -5.098 9.509 0.266 1.00 14.13 O ATOM 1892 CB ARG A 121 -4.836 10.035 -2.671 1.00 71.15 C ATOM 1893 CG ARG A 121 -5.088 10.771 -3.983 1.00 62.31 C ATOM 1894 CD ARG A 121 -5.414 9.833 -5.139 1.00 13.13 C ATOM 1895 NE ARG A 121 -5.450 10.554 -6.413 1.00 31.22 N ATOM 1896 CZ ARG A 121 -5.865 10.045 -7.545 1.00 71.12 C ATOM 1897 NH1 ARG A 121 -6.319 8.833 -7.600 1.00 44.11 N ATOM 1898 NH2 ARG A 121 -5.833 10.760 -8.621 1.00 52.25 N ATOM 0 H ARG A 121 -2.404 11.270 -2.022 1.00 2.22 H new ATOM 0 HA ARG A 121 -5.249 11.669 -1.293 1.00 65.42 H new ATOM 0 HB2 ARG A 121 -4.046 9.298 -2.819 1.00 71.15 H new ATOM 0 HB3 ARG A 121 -5.735 9.486 -2.389 1.00 71.15 H new ATOM 0 HG2 ARG A 121 -5.912 11.472 -3.848 1.00 62.31 H new ATOM 0 HG3 ARG A 121 -4.207 11.360 -4.238 1.00 62.31 H new ATOM 0 HD2 ARG A 121 -4.668 9.040 -5.188 1.00 13.13 H new ATOM 0 HD3 ARG A 121 -6.377 9.354 -4.962 1.00 13.13 H new ATOM 0 HE ARG A 121 -5.129 11.522 -6.419 1.00 31.22 H new ATOM 0 HH11 ARG A 121 -6.356 8.263 -6.755 1.00 44.11 H new ATOM 0 HH12 ARG A 121 -6.639 8.448 -8.489 1.00 44.11 H new ATOM 0 HH21 ARG A 121 -5.485 11.718 -8.586 1.00 52.25 H new ATOM 0 HH22 ARG A 121 -6.156 10.366 -9.505 1.00 52.25 H new ATOM 1912 N MET A 122 -2.972 10.209 0.308 1.00 44.10 N ATOM 1913 CA MET A 122 -2.656 9.501 1.565 1.00 4.14 C ATOM 1914 C MET A 122 -2.582 10.467 2.762 1.00 52.52 C ATOM 1915 O MET A 122 -3.381 10.379 3.700 1.00 43.24 O ATOM 1916 CB MET A 122 -1.328 8.743 1.426 1.00 73.51 C ATOM 1917 CG MET A 122 -1.413 7.479 0.582 1.00 22.53 C ATOM 1918 SD MET A 122 -2.356 6.177 1.394 1.00 41.42 S ATOM 1919 CE MET A 122 -1.999 4.783 0.331 1.00 71.54 C ATOM 0 H MET A 122 -2.187 10.720 -0.096 1.00 44.10 H new ATOM 0 HA MET A 122 -3.463 8.793 1.755 1.00 4.14 H new ATOM 0 HB2 MET A 122 -0.587 9.410 0.986 1.00 73.51 H new ATOM 0 HB3 MET A 122 -0.969 8.478 2.420 1.00 73.51 H new ATOM 0 HG2 MET A 122 -1.875 7.715 -0.377 1.00 22.53 H new ATOM 0 HG3 MET A 122 -0.407 7.118 0.370 1.00 22.53 H new ATOM 0 HE1 MET A 122 -2.933 4.334 -0.006 1.00 71.54 H new ATOM 0 HE2 MET A 122 -1.427 5.121 -0.533 1.00 71.54 H new ATOM 0 HE3 MET A 122 -1.419 4.044 0.883 1.00 71.54 H new ATOM 1929 N ILE A 123 -1.622 11.395 2.712 1.00 2.45 N ATOM 1930 CA ILE A 123 -1.386 12.360 3.801 1.00 65.21 C ATOM 1931 C ILE A 123 -2.679 13.080 4.252 1.00 41.20 C ATOM 1932 O ILE A 123 -2.965 13.130 5.451 1.00 21.24 O ATOM 1933 CB ILE A 123 -0.326 13.422 3.399 1.00 45.11 C ATOM 1934 CG1 ILE A 123 0.984 12.752 2.949 1.00 24.13 C ATOM 1935 CG2 ILE A 123 -0.063 14.391 4.552 1.00 33.35 C ATOM 1936 CD1 ILE A 123 1.676 11.941 4.026 1.00 4.54 C ATOM 0 H ILE A 123 -0.987 11.502 1.921 1.00 2.45 H new ATOM 0 HA ILE A 123 -1.013 11.772 4.640 1.00 65.21 H new ATOM 0 HB ILE A 123 -0.724 13.989 2.557 1.00 45.11 H new ATOM 0 HG12 ILE A 123 0.772 12.101 2.101 1.00 24.13 H new ATOM 0 HG13 ILE A 123 1.669 13.523 2.595 1.00 24.13 H new ATOM 0 HG21 ILE A 123 0.683 15.125 4.247 1.00 33.35 H new ATOM 0 HG22 ILE A 123 -0.989 14.902 4.816 1.00 33.35 H new ATOM 0 HG23 ILE A 123 0.305 13.837 5.416 1.00 33.35 H new ATOM 0 HD11 ILE A 123 2.590 11.505 3.622 1.00 4.54 H new ATOM 0 HD12 ILE A 123 1.924 12.589 4.867 1.00 4.54 H new ATOM 0 HD13 ILE A 123 1.013 11.145 4.365 1.00 4.54 H new ATOM 1948 N PRO A 124 -3.484 13.651 3.315 1.00 12.20 N ATOM 1949 CA PRO A 124 -4.740 14.345 3.668 1.00 22.41 C ATOM 1950 C PRO A 124 -5.676 13.484 4.535 1.00 0.20 C ATOM 1951 O PRO A 124 -6.336 13.988 5.448 1.00 61.41 O ATOM 1952 CB PRO A 124 -5.389 14.650 2.302 1.00 33.21 C ATOM 1953 CG PRO A 124 -4.648 13.808 1.316 1.00 60.02 C ATOM 1954 CD PRO A 124 -3.255 13.683 1.856 1.00 53.33 C ATOM 0 HA PRO A 124 -4.549 15.234 4.268 1.00 22.41 H new ATOM 0 HB2 PRO A 124 -6.451 14.406 2.308 1.00 33.21 H new ATOM 0 HB3 PRO A 124 -5.307 15.709 2.055 1.00 33.21 H new ATOM 0 HG2 PRO A 124 -5.115 12.829 1.208 1.00 60.02 H new ATOM 0 HG3 PRO A 124 -4.645 14.271 0.329 1.00 60.02 H new ATOM 0 HD2 PRO A 124 -2.761 12.778 1.502 1.00 53.33 H new ATOM 0 HD3 PRO A 124 -2.628 14.524 1.561 1.00 53.33 H new ATOM 1962 N HIS A 125 -5.717 12.183 4.255 1.00 52.42 N ATOM 1963 CA HIS A 125 -6.554 11.258 5.023 1.00 33.40 C ATOM 1964 C HIS A 125 -5.914 10.913 6.375 1.00 70.40 C ATOM 1965 O HIS A 125 -6.571 10.992 7.412 1.00 62.40 O ATOM 1966 CB HIS A 125 -6.827 9.983 4.218 1.00 32.12 C ATOM 1967 CG HIS A 125 -7.773 10.189 3.074 1.00 44.50 C ATOM 1968 ND1 HIS A 125 -9.129 10.046 3.235 1.00 45.12 N ATOM 1969 CD2 HIS A 125 -7.515 10.511 1.786 1.00 4.43 C ATOM 1970 CE1 HIS A 125 -9.662 10.279 2.052 1.00 43.42 C ATOM 1971 NE2 HIS A 125 -8.723 10.567 1.141 1.00 11.15 N ATOM 0 H HIS A 125 -5.183 11.745 3.505 1.00 52.42 H new ATOM 0 HA HIS A 125 -7.503 11.756 5.221 1.00 33.40 H new ATOM 0 HB2 HIS A 125 -5.883 9.597 3.833 1.00 32.12 H new ATOM 0 HB3 HIS A 125 -7.235 9.223 4.884 1.00 32.12 H new ATOM 0 HD1 HIS A 125 -9.623 9.808 4.095 1.00 45.12 H new ATOM 0 HD2 HIS A 125 -6.543 10.690 1.349 1.00 4.43 H new ATOM 0 HE1 HIS A 125 -10.721 10.242 1.844 1.00 43.42 H new ATOM 1979 N PHE A 126 -4.633 10.548 6.370 1.00 12.25 N ATOM 1980 CA PHE A 126 -3.923 10.214 7.615 1.00 13.21 C ATOM 1981 C PHE A 126 -3.972 11.379 8.620 1.00 61.12 C ATOM 1982 O PHE A 126 -4.153 11.169 9.819 1.00 73.33 O ATOM 1983 CB PHE A 126 -2.469 9.822 7.324 1.00 50.15 C ATOM 1984 CG PHE A 126 -2.331 8.631 6.402 1.00 70.55 C ATOM 1985 CD1 PHE A 126 -3.267 7.601 6.417 1.00 41.11 C ATOM 1986 CD2 PHE A 126 -1.268 8.544 5.517 1.00 51.13 C ATOM 1987 CE1 PHE A 126 -3.140 6.516 5.572 1.00 73.13 C ATOM 1988 CE2 PHE A 126 -1.139 7.460 4.672 1.00 54.01 C ATOM 1989 CZ PHE A 126 -2.074 6.446 4.698 1.00 14.42 C ATOM 0 H PHE A 126 -4.064 10.475 5.527 1.00 12.25 H new ATOM 0 HA PHE A 126 -4.431 9.361 8.064 1.00 13.21 H new ATOM 0 HB2 PHE A 126 -1.954 10.674 6.881 1.00 50.15 H new ATOM 0 HB3 PHE A 126 -1.967 9.601 8.266 1.00 50.15 H new ATOM 0 HD1 PHE A 126 -4.104 7.651 7.098 1.00 41.11 H new ATOM 0 HD2 PHE A 126 -0.532 9.334 5.488 1.00 51.13 H new ATOM 0 HE1 PHE A 126 -3.874 5.724 5.595 1.00 73.13 H new ATOM 0 HE2 PHE A 126 -0.304 7.406 3.989 1.00 54.01 H new ATOM 0 HZ PHE A 126 -1.972 5.599 4.036 1.00 14.42 H new ATOM 1999 N ARG A 127 -3.824 12.606 8.118 1.00 3.43 N ATOM 2000 CA ARG A 127 -3.976 13.813 8.948 1.00 0.31 C ATOM 2001 C ARG A 127 -5.378 13.887 9.574 1.00 51.42 C ATOM 2002 O ARG A 127 -5.543 14.338 10.705 1.00 13.15 O ATOM 2003 CB ARG A 127 -3.714 15.074 8.110 1.00 11.02 C ATOM 2004 CG ARG A 127 -2.258 15.252 7.694 1.00 12.21 C ATOM 2005 CD ARG A 127 -2.081 16.418 6.726 1.00 34.14 C ATOM 2006 NE ARG A 127 -2.566 17.682 7.275 1.00 54.10 N ATOM 2007 CZ ARG A 127 -2.156 18.861 6.883 1.00 74.13 C ATOM 2008 NH1 ARG A 127 -1.217 18.982 5.995 1.00 34.11 N ATOM 2009 NH2 ARG A 127 -2.685 19.923 7.391 1.00 71.43 N ATOM 0 H ARG A 127 -3.599 12.795 7.141 1.00 3.43 H new ATOM 0 HA ARG A 127 -3.244 13.757 9.753 1.00 0.31 H new ATOM 0 HB2 ARG A 127 -4.335 15.038 7.215 1.00 11.02 H new ATOM 0 HB3 ARG A 127 -4.027 15.948 8.681 1.00 11.02 H new ATOM 0 HG2 ARG A 127 -1.645 15.419 8.580 1.00 12.21 H new ATOM 0 HG3 ARG A 127 -1.899 14.335 7.227 1.00 12.21 H new ATOM 0 HD2 ARG A 127 -1.026 16.518 6.472 1.00 34.14 H new ATOM 0 HD3 ARG A 127 -2.613 16.200 5.800 1.00 34.14 H new ATOM 0 HE ARG A 127 -3.270 17.643 8.012 1.00 54.10 H new ATOM 0 HH11 ARG A 127 -0.787 18.150 5.591 1.00 34.11 H new ATOM 0 HH12 ARG A 127 -0.910 19.909 5.701 1.00 34.11 H new ATOM 0 HH21 ARG A 127 -3.419 19.841 8.095 1.00 71.43 H new ATOM 0 HH22 ARG A 127 -2.369 20.845 7.089 1.00 71.43 H new ATOM 2023 N SER A 128 -6.382 13.435 8.825 1.00 1.32 N ATOM 2024 CA SER A 128 -7.773 13.418 9.304 1.00 14.01 C ATOM 2025 C SER A 128 -8.071 12.162 10.140 1.00 63.32 C ATOM 2026 O SER A 128 -9.168 12.013 10.678 1.00 25.43 O ATOM 2027 CB SER A 128 -8.743 13.476 8.114 1.00 0.03 C ATOM 2028 OG SER A 128 -10.096 13.511 8.544 1.00 1.34 O ATOM 0 H SER A 128 -6.263 13.073 7.879 1.00 1.32 H new ATOM 0 HA SER A 128 -7.910 14.293 9.939 1.00 14.01 H new ATOM 0 HB2 SER A 128 -8.529 14.359 7.512 1.00 0.03 H new ATOM 0 HB3 SER A 128 -8.586 12.608 7.474 1.00 0.03 H new ATOM 0 HG SER A 128 -10.467 12.604 8.532 1.00 1.34 H new ATOM 2034 N GLY A 129 -7.092 11.265 10.249 1.00 12.14 N ATOM 2035 CA GLY A 129 -7.303 9.997 10.947 1.00 53.55 C ATOM 2036 C GLY A 129 -7.973 8.939 10.069 1.00 23.31 C ATOM 2037 O GLY A 129 -8.324 7.854 10.536 1.00 60.12 O ATOM 0 H GLY A 129 -6.154 11.390 9.868 1.00 12.14 H new ATOM 0 HA2 GLY A 129 -6.343 9.617 11.297 1.00 53.55 H new ATOM 0 HA3 GLY A 129 -7.918 10.172 11.830 1.00 53.55 H new ATOM 2041 N ASN A 130 -8.138 9.259 8.791 1.00 33.43 N ATOM 2042 CA ASN A 130 -8.778 8.360 7.826 1.00 63.21 C ATOM 2043 C ASN A 130 -7.781 7.339 7.251 1.00 3.31 C ATOM 2044 O ASN A 130 -7.626 7.229 6.035 1.00 21.31 O ATOM 2045 CB ASN A 130 -9.385 9.181 6.684 1.00 61.20 C ATOM 2046 CG ASN A 130 -10.492 10.110 7.138 1.00 22.52 C ATOM 2047 OD1 ASN A 130 -10.499 10.602 8.263 1.00 0.30 O ATOM 2048 ND2 ASN A 130 -11.427 10.372 6.253 1.00 60.14 N ATOM 0 H ASN A 130 -7.834 10.146 8.391 1.00 33.43 H new ATOM 0 HA ASN A 130 -9.559 7.809 8.349 1.00 63.21 H new ATOM 0 HB2 ASN A 130 -8.599 9.768 6.210 1.00 61.20 H new ATOM 0 HB3 ASN A 130 -9.777 8.503 5.926 1.00 61.20 H new ATOM 0 HD21 ASN A 130 -12.192 11.003 6.491 1.00 60.14 H new ATOM 0 HD22 ASN A 130 -11.388 9.944 5.328 1.00 60.14 H new ATOM 2055 N TYR A 131 -7.123 6.579 8.124 1.00 1.55 N ATOM 2056 CA TYR A 131 -6.120 5.591 7.692 1.00 40.04 C ATOM 2057 C TYR A 131 -6.702 4.576 6.689 1.00 64.34 C ATOM 2058 O TYR A 131 -6.080 4.262 5.674 1.00 22.33 O ATOM 2059 CB TYR A 131 -5.541 4.852 8.906 1.00 1.04 C ATOM 2060 CG TYR A 131 -4.862 5.770 9.906 1.00 23.14 C ATOM 2061 CD1 TYR A 131 -3.530 6.140 9.751 1.00 32.31 C ATOM 2062 CD2 TYR A 131 -5.558 6.274 11.002 1.00 32.30 C ATOM 2063 CE1 TYR A 131 -2.911 6.980 10.659 1.00 24.41 C ATOM 2064 CE2 TYR A 131 -4.946 7.113 11.911 1.00 3.23 C ATOM 2065 CZ TYR A 131 -3.624 7.464 11.736 1.00 62.54 C ATOM 2066 OH TYR A 131 -3.012 8.300 12.641 1.00 53.01 O ATOM 0 H TYR A 131 -7.261 6.623 9.134 1.00 1.55 H new ATOM 0 HA TYR A 131 -5.325 6.139 7.186 1.00 40.04 H new ATOM 0 HB2 TYR A 131 -6.343 4.310 9.408 1.00 1.04 H new ATOM 0 HB3 TYR A 131 -4.822 4.109 8.560 1.00 1.04 H new ATOM 0 HD1 TYR A 131 -2.970 5.765 8.907 1.00 32.31 H new ATOM 0 HD2 TYR A 131 -6.594 6.004 11.143 1.00 32.30 H new ATOM 0 HE1 TYR A 131 -1.875 7.255 10.525 1.00 24.41 H new ATOM 0 HE2 TYR A 131 -5.500 7.493 12.756 1.00 3.23 H new ATOM 0 HH TYR A 131 -3.652 8.552 13.339 1.00 53.01 H new ATOM 2076 N ALA A 132 -7.903 4.076 6.979 1.00 32.00 N ATOM 2077 CA ALA A 132 -8.579 3.105 6.107 1.00 14.54 C ATOM 2078 C ALA A 132 -8.978 3.723 4.754 1.00 12.54 C ATOM 2079 O ALA A 132 -8.986 3.045 3.726 1.00 72.34 O ATOM 2080 CB ALA A 132 -9.806 2.537 6.812 1.00 74.12 C ATOM 0 H ALA A 132 -8.433 4.326 7.814 1.00 32.00 H new ATOM 0 HA ALA A 132 -7.874 2.300 5.900 1.00 14.54 H new ATOM 0 HB1 ALA A 132 -10.301 1.818 6.159 1.00 74.12 H new ATOM 0 HB2 ALA A 132 -9.499 2.040 7.732 1.00 74.12 H new ATOM 0 HB3 ALA A 132 -10.496 3.346 7.050 1.00 74.12 H new ATOM 2086 N GLU A 133 -9.309 5.013 4.767 1.00 1.43 N ATOM 2087 CA GLU A 133 -9.701 5.729 3.545 1.00 73.53 C ATOM 2088 C GLU A 133 -8.480 6.068 2.674 1.00 43.43 C ATOM 2089 O GLU A 133 -8.511 5.893 1.454 1.00 14.14 O ATOM 2090 CB GLU A 133 -10.474 7.011 3.902 1.00 62.14 C ATOM 2091 CG GLU A 133 -11.815 6.750 4.589 1.00 74.44 C ATOM 2092 CD GLU A 133 -12.604 8.018 4.869 1.00 71.44 C ATOM 2093 OE1 GLU A 133 -12.646 8.908 3.994 1.00 43.55 O ATOM 2094 OE2 GLU A 133 -13.191 8.131 5.965 1.00 43.34 O ATOM 0 H GLU A 133 -9.315 5.588 5.609 1.00 1.43 H new ATOM 0 HA GLU A 133 -10.350 5.071 2.967 1.00 73.53 H new ATOM 0 HB2 GLU A 133 -9.856 7.628 4.554 1.00 62.14 H new ATOM 0 HB3 GLU A 133 -10.648 7.585 2.992 1.00 62.14 H new ATOM 0 HG2 GLU A 133 -12.414 6.089 3.962 1.00 74.44 H new ATOM 0 HG3 GLU A 133 -11.638 6.226 5.528 1.00 74.44 H new ATOM 2101 N GLY A 134 -7.403 6.536 3.308 1.00 63.14 N ATOM 2102 CA GLY A 134 -6.175 6.863 2.584 1.00 10.14 C ATOM 2103 C GLY A 134 -5.625 5.688 1.783 1.00 73.22 C ATOM 2104 O GLY A 134 -5.322 5.821 0.596 1.00 52.52 O ATOM 0 H GLY A 134 -7.357 6.696 4.314 1.00 63.14 H new ATOM 0 HA2 GLY A 134 -6.369 7.697 1.909 1.00 10.14 H new ATOM 0 HA3 GLY A 134 -5.419 7.197 3.294 1.00 10.14 H new ATOM 2108 N LEU A 135 -5.502 4.532 2.432 1.00 2.15 N ATOM 2109 CA LEU A 135 -5.053 3.312 1.754 1.00 11.42 C ATOM 2110 C LEU A 135 -5.952 2.973 0.552 1.00 23.32 C ATOM 2111 O LEU A 135 -5.466 2.557 -0.500 1.00 43.22 O ATOM 2112 CB LEU A 135 -5.015 2.136 2.737 1.00 52.54 C ATOM 2113 CG LEU A 135 -4.044 2.303 3.920 1.00 14.02 C ATOM 2114 CD1 LEU A 135 -4.100 1.088 4.844 1.00 24.52 C ATOM 2115 CD2 LEU A 135 -2.619 2.537 3.418 1.00 64.14 C ATOM 0 H LEU A 135 -5.706 4.412 3.424 1.00 2.15 H new ATOM 0 HA LEU A 135 -4.046 3.493 1.379 1.00 11.42 H new ATOM 0 HB2 LEU A 135 -6.019 1.980 3.131 1.00 52.54 H new ATOM 0 HB3 LEU A 135 -4.743 1.234 2.189 1.00 52.54 H new ATOM 0 HG LEU A 135 -4.352 3.178 4.493 1.00 14.02 H new ATOM 0 HD11 LEU A 135 -3.406 1.229 5.672 1.00 24.52 H new ATOM 0 HD12 LEU A 135 -5.112 0.974 5.234 1.00 24.52 H new ATOM 0 HD13 LEU A 135 -3.823 0.194 4.286 1.00 24.52 H new ATOM 0 HD21 LEU A 135 -1.948 2.653 4.269 1.00 64.14 H new ATOM 0 HD22 LEU A 135 -2.300 1.685 2.818 1.00 64.14 H new ATOM 0 HD23 LEU A 135 -2.592 3.441 2.809 1.00 64.14 H new ATOM 2127 N SER A 136 -7.262 3.164 0.712 1.00 32.24 N ATOM 2128 CA SER A 136 -8.218 2.955 -0.390 1.00 31.43 C ATOM 2129 C SER A 136 -7.916 3.894 -1.568 1.00 34.33 C ATOM 2130 O SER A 136 -7.888 3.473 -2.727 1.00 72.32 O ATOM 2131 CB SER A 136 -9.658 3.182 0.097 1.00 31.13 C ATOM 2132 OG SER A 136 -10.596 3.041 -0.961 1.00 1.21 O ATOM 0 H SER A 136 -7.690 3.462 1.589 1.00 32.24 H new ATOM 0 HA SER A 136 -8.113 1.925 -0.731 1.00 31.43 H new ATOM 0 HB2 SER A 136 -9.892 2.470 0.888 1.00 31.13 H new ATOM 0 HB3 SER A 136 -9.744 4.179 0.530 1.00 31.13 H new ATOM 0 HG SER A 136 -11.502 3.190 -0.617 1.00 1.21 H new ATOM 2138 N GLU A 137 -7.676 5.166 -1.254 1.00 25.24 N ATOM 2139 CA GLU A 137 -7.338 6.173 -2.267 1.00 2.43 C ATOM 2140 C GLU A 137 -6.029 5.830 -3.000 1.00 13.03 C ATOM 2141 O GLU A 137 -5.946 5.937 -4.226 1.00 13.24 O ATOM 2142 CB GLU A 137 -7.223 7.554 -1.607 1.00 64.14 C ATOM 2143 CG GLU A 137 -8.548 8.109 -1.087 1.00 72.43 C ATOM 2144 CD GLU A 137 -9.519 8.450 -2.205 1.00 54.04 C ATOM 2145 OE1 GLU A 137 -9.302 9.475 -2.889 1.00 71.04 O ATOM 2146 OE2 GLU A 137 -10.498 7.702 -2.414 1.00 23.04 O ATOM 0 H GLU A 137 -7.709 5.528 -0.301 1.00 25.24 H new ATOM 0 HA GLU A 137 -8.138 6.184 -3.008 1.00 2.43 H new ATOM 0 HB2 GLU A 137 -6.518 7.491 -0.778 1.00 64.14 H new ATOM 0 HB3 GLU A 137 -6.805 8.256 -2.329 1.00 64.14 H new ATOM 0 HG2 GLU A 137 -9.008 7.378 -0.422 1.00 72.43 H new ATOM 0 HG3 GLU A 137 -8.355 9.003 -0.493 1.00 72.43 H new ATOM 2153 N GLY A 138 -5.007 5.429 -2.241 1.00 23.43 N ATOM 2154 CA GLY A 138 -3.734 5.032 -2.836 1.00 74.43 C ATOM 2155 C GLY A 138 -3.861 3.838 -3.780 1.00 32.45 C ATOM 2156 O GLY A 138 -3.339 3.865 -4.899 1.00 11.14 O ATOM 0 H GLY A 138 -5.037 5.372 -1.223 1.00 23.43 H new ATOM 0 HA2 GLY A 138 -3.316 5.877 -3.383 1.00 74.43 H new ATOM 0 HA3 GLY A 138 -3.029 4.786 -2.042 1.00 74.43 H new ATOM 2160 N VAL A 139 -4.557 2.794 -3.333 1.00 31.43 N ATOM 2161 CA VAL A 139 -4.776 1.594 -4.154 1.00 65.14 C ATOM 2162 C VAL A 139 -5.537 1.927 -5.447 1.00 41.03 C ATOM 2163 O VAL A 139 -5.122 1.541 -6.544 1.00 22.31 O ATOM 2164 CB VAL A 139 -5.549 0.503 -3.368 1.00 21.54 C ATOM 2165 CG1 VAL A 139 -5.886 -0.690 -4.266 1.00 3.42 C ATOM 2166 CG2 VAL A 139 -4.744 0.047 -2.151 1.00 13.02 C ATOM 0 H VAL A 139 -4.981 2.750 -2.406 1.00 31.43 H new ATOM 0 HA VAL A 139 -3.790 1.210 -4.415 1.00 65.14 H new ATOM 0 HB VAL A 139 -6.486 0.939 -3.022 1.00 21.54 H new ATOM 0 HG11 VAL A 139 -6.428 -1.439 -3.688 1.00 3.42 H new ATOM 0 HG12 VAL A 139 -6.506 -0.356 -5.098 1.00 3.42 H new ATOM 0 HG13 VAL A 139 -4.965 -1.126 -4.652 1.00 3.42 H new ATOM 0 HG21 VAL A 139 -5.302 -0.718 -1.612 1.00 13.02 H new ATOM 0 HG22 VAL A 139 -3.789 -0.364 -2.479 1.00 13.02 H new ATOM 0 HG23 VAL A 139 -4.566 0.898 -1.493 1.00 13.02 H new ATOM 2176 N LEU A 140 -6.651 2.645 -5.310 1.00 53.43 N ATOM 2177 CA LEU A 140 -7.444 3.067 -6.470 1.00 34.04 C ATOM 2178 C LEU A 140 -6.623 3.965 -7.410 1.00 74.44 C ATOM 2179 O LEU A 140 -6.733 3.866 -8.634 1.00 24.12 O ATOM 2180 CB LEU A 140 -8.712 3.803 -6.010 1.00 62.11 C ATOM 2181 CG LEU A 140 -9.667 4.242 -7.137 1.00 71.32 C ATOM 2182 CD1 LEU A 140 -10.174 3.033 -7.924 1.00 14.53 C ATOM 2183 CD2 LEU A 140 -10.834 5.049 -6.573 1.00 74.42 C ATOM 0 H LEU A 140 -7.026 2.947 -4.411 1.00 53.43 H new ATOM 0 HA LEU A 140 -7.732 2.172 -7.022 1.00 34.04 H new ATOM 0 HB2 LEU A 140 -9.259 3.155 -5.325 1.00 62.11 H new ATOM 0 HB3 LEU A 140 -8.414 4.686 -5.445 1.00 62.11 H new ATOM 0 HG LEU A 140 -9.110 4.881 -7.822 1.00 71.32 H new ATOM 0 HD11 LEU A 140 -10.846 3.369 -8.714 1.00 14.53 H new ATOM 0 HD12 LEU A 140 -9.329 2.506 -8.367 1.00 14.53 H new ATOM 0 HD13 LEU A 140 -10.709 2.361 -7.253 1.00 14.53 H new ATOM 0 HD21 LEU A 140 -11.496 5.349 -7.386 1.00 74.42 H new ATOM 0 HD22 LEU A 140 -11.388 4.438 -5.861 1.00 74.42 H new ATOM 0 HD23 LEU A 140 -10.452 5.937 -6.070 1.00 74.42 H new ATOM 2195 N ALA A 141 -5.795 4.834 -6.831 1.00 21.51 N ATOM 2196 CA ALA A 141 -4.924 5.719 -7.615 1.00 53.42 C ATOM 2197 C ALA A 141 -3.997 4.916 -8.537 1.00 40.23 C ATOM 2198 O ALA A 141 -3.963 5.135 -9.752 1.00 52.41 O ATOM 2199 CB ALA A 141 -4.104 6.609 -6.686 1.00 55.22 C ATOM 0 H ALA A 141 -5.707 4.947 -5.821 1.00 21.51 H new ATOM 0 HA ALA A 141 -5.558 6.346 -8.241 1.00 53.42 H new ATOM 0 HB1 ALA A 141 -3.462 7.261 -7.279 1.00 55.22 H new ATOM 0 HB2 ALA A 141 -4.775 7.216 -6.078 1.00 55.22 H new ATOM 0 HB3 ALA A 141 -3.488 5.987 -6.036 1.00 55.22 H new ATOM 2205 N VAL A 142 -3.249 3.985 -7.950 1.00 3.33 N ATOM 2206 CA VAL A 142 -2.370 3.097 -8.717 1.00 65.13 C ATOM 2207 C VAL A 142 -3.163 2.308 -9.772 1.00 71.04 C ATOM 2208 O VAL A 142 -2.775 2.245 -10.939 1.00 22.42 O ATOM 2209 CB VAL A 142 -1.625 2.106 -7.787 1.00 14.52 C ATOM 2210 CG1 VAL A 142 -0.778 1.128 -8.598 1.00 0.10 C ATOM 2211 CG2 VAL A 142 -0.763 2.861 -6.771 1.00 54.15 C ATOM 0 H VAL A 142 -3.232 3.823 -6.943 1.00 3.33 H new ATOM 0 HA VAL A 142 -1.638 3.728 -9.221 1.00 65.13 H new ATOM 0 HB VAL A 142 -2.371 1.530 -7.239 1.00 14.52 H new ATOM 0 HG11 VAL A 142 -0.265 0.443 -7.922 1.00 0.10 H new ATOM 0 HG12 VAL A 142 -1.421 0.560 -9.270 1.00 0.10 H new ATOM 0 HG13 VAL A 142 -0.042 1.681 -9.181 1.00 0.10 H new ATOM 0 HG21 VAL A 142 -0.249 2.147 -6.128 1.00 54.15 H new ATOM 0 HG22 VAL A 142 -0.028 3.469 -7.298 1.00 54.15 H new ATOM 0 HG23 VAL A 142 -1.398 3.505 -6.163 1.00 54.15 H new ATOM 2221 N GLN A 143 -4.284 1.723 -9.350 1.00 2.34 N ATOM 2222 CA GLN A 143 -5.162 0.969 -10.255 1.00 4.24 C ATOM 2223 C GLN A 143 -5.572 1.805 -11.484 1.00 33.33 C ATOM 2224 O GLN A 143 -5.672 1.283 -12.599 1.00 73.32 O ATOM 2225 CB GLN A 143 -6.413 0.495 -9.499 1.00 61.31 C ATOM 2226 CG GLN A 143 -7.321 -0.418 -10.319 1.00 14.43 C ATOM 2227 CD GLN A 143 -8.533 -0.911 -9.542 1.00 44.11 C ATOM 2228 OE1 GLN A 143 -9.053 -0.226 -8.668 1.00 62.33 O ATOM 2229 NE2 GLN A 143 -8.991 -2.107 -9.848 1.00 1.14 N ATOM 0 H GLN A 143 -4.609 1.755 -8.384 1.00 2.34 H new ATOM 0 HA GLN A 143 -4.604 0.105 -10.615 1.00 4.24 H new ATOM 0 HB2 GLN A 143 -6.103 -0.032 -8.597 1.00 61.31 H new ATOM 0 HB3 GLN A 143 -6.984 1.366 -9.178 1.00 61.31 H new ATOM 0 HG2 GLN A 143 -7.659 0.118 -11.206 1.00 14.43 H new ATOM 0 HG3 GLN A 143 -6.745 -1.276 -10.665 1.00 14.43 H new ATOM 0 HE21 GLN A 143 -8.538 -2.655 -10.580 1.00 1.14 H new ATOM 0 HE22 GLN A 143 -9.799 -2.486 -9.353 1.00 1.14 H new ATOM 2238 N GLN A 144 -5.809 3.103 -11.279 1.00 11.34 N ATOM 2239 CA GLN A 144 -6.168 4.006 -12.382 1.00 11.43 C ATOM 2240 C GLN A 144 -4.959 4.307 -13.284 1.00 62.35 C ATOM 2241 O GLN A 144 -5.095 4.388 -14.509 1.00 44.31 O ATOM 2242 CB GLN A 144 -6.771 5.315 -11.845 1.00 43.24 C ATOM 2243 CG GLN A 144 -8.121 5.145 -11.142 1.00 62.03 C ATOM 2244 CD GLN A 144 -9.243 4.688 -12.070 1.00 42.42 C ATOM 2245 OE1 GLN A 144 -9.024 3.969 -13.043 1.00 60.24 O ATOM 2246 NE2 GLN A 144 -10.458 5.105 -11.781 1.00 12.14 N ATOM 0 H GLN A 144 -5.760 3.553 -10.365 1.00 11.34 H new ATOM 0 HA GLN A 144 -6.919 3.497 -12.986 1.00 11.43 H new ATOM 0 HB2 GLN A 144 -6.066 5.767 -11.148 1.00 43.24 H new ATOM 0 HB3 GLN A 144 -6.891 6.013 -12.674 1.00 43.24 H new ATOM 0 HG2 GLN A 144 -8.012 4.421 -10.335 1.00 62.03 H new ATOM 0 HG3 GLN A 144 -8.404 6.093 -10.684 1.00 62.03 H new ATOM 0 HE21 GLN A 144 -10.613 5.701 -10.968 1.00 12.14 H new ATOM 0 HE22 GLN A 144 -11.245 4.832 -12.370 1.00 12.14 H new ATOM 2255 N VAL A 145 -3.778 4.477 -12.683 1.00 42.41 N ATOM 2256 CA VAL A 145 -2.550 4.692 -13.460 1.00 31.11 C ATOM 2257 C VAL A 145 -2.253 3.485 -14.366 1.00 35.23 C ATOM 2258 O VAL A 145 -1.885 3.642 -15.534 1.00 75.51 O ATOM 2259 CB VAL A 145 -1.324 4.956 -12.542 1.00 72.23 C ATOM 2260 CG1 VAL A 145 -0.047 5.117 -13.370 1.00 60.35 C ATOM 2261 CG2 VAL A 145 -1.554 6.188 -11.666 1.00 14.35 C ATOM 0 H VAL A 145 -3.644 4.471 -11.672 1.00 42.41 H new ATOM 0 HA VAL A 145 -2.719 5.575 -14.076 1.00 31.11 H new ATOM 0 HB VAL A 145 -1.202 4.091 -11.890 1.00 72.23 H new ATOM 0 HG11 VAL A 145 0.797 5.301 -12.705 1.00 60.35 H new ATOM 0 HG12 VAL A 145 0.133 4.207 -13.942 1.00 60.35 H new ATOM 0 HG13 VAL A 145 -0.160 5.958 -14.054 1.00 60.35 H new ATOM 0 HG21 VAL A 145 -0.682 6.352 -11.033 1.00 14.35 H new ATOM 0 HG22 VAL A 145 -1.711 7.061 -12.300 1.00 14.35 H new ATOM 0 HG23 VAL A 145 -2.433 6.031 -11.040 1.00 14.35 H new ATOM 2271 N LEU A 146 -2.423 2.282 -13.816 1.00 41.51 N ATOM 2272 CA LEU A 146 -2.232 1.038 -14.573 1.00 43.41 C ATOM 2273 C LEU A 146 -3.262 0.915 -15.708 1.00 73.13 C ATOM 2274 O LEU A 146 -2.909 0.680 -16.864 1.00 43.20 O ATOM 2275 CB LEU A 146 -2.361 -0.176 -13.638 1.00 43.11 C ATOM 2276 CG LEU A 146 -1.400 -0.201 -12.435 1.00 71.33 C ATOM 2277 CD1 LEU A 146 -1.710 -1.390 -11.530 1.00 51.53 C ATOM 2278 CD2 LEU A 146 0.056 -0.241 -12.896 1.00 45.21 C ATOM 0 H LEU A 146 -2.694 2.140 -12.843 1.00 41.51 H new ATOM 0 HA LEU A 146 -1.233 1.063 -15.008 1.00 43.41 H new ATOM 0 HB2 LEU A 146 -3.384 -0.215 -13.263 1.00 43.11 H new ATOM 0 HB3 LEU A 146 -2.202 -1.081 -14.225 1.00 43.11 H new ATOM 0 HG LEU A 146 -1.546 0.717 -11.865 1.00 71.33 H new ATOM 0 HD11 LEU A 146 -1.022 -1.393 -10.685 1.00 51.53 H new ATOM 0 HD12 LEU A 146 -2.734 -1.312 -11.164 1.00 51.53 H new ATOM 0 HD13 LEU A 146 -1.596 -2.316 -12.094 1.00 51.53 H new ATOM 0 HD21 LEU A 146 0.713 -0.258 -12.026 1.00 45.21 H new ATOM 0 HD22 LEU A 146 0.224 -1.136 -13.495 1.00 45.21 H new ATOM 0 HD23 LEU A 146 0.272 0.643 -13.496 1.00 45.21 H new ATOM 2290 N ASP A 147 -4.533 1.113 -15.358 1.00 71.34 N ATOM 2291 CA ASP A 147 -5.654 0.953 -16.292 1.00 50.04 C ATOM 2292 C ASP A 147 -5.488 1.817 -17.554 1.00 51.42 C ATOM 2293 O ASP A 147 -5.760 1.367 -18.671 1.00 63.22 O ATOM 2294 CB ASP A 147 -6.958 1.307 -15.562 1.00 71.22 C ATOM 2295 CG ASP A 147 -8.188 1.224 -16.447 1.00 43.33 C ATOM 2296 OD1 ASP A 147 -8.605 0.103 -16.791 1.00 14.41 O ATOM 2297 OD2 ASP A 147 -8.750 2.284 -16.794 1.00 0.14 O ATOM 0 H ASP A 147 -4.818 1.389 -14.418 1.00 71.34 H new ATOM 0 HA ASP A 147 -5.680 -0.084 -16.627 1.00 50.04 H new ATOM 0 HB2 ASP A 147 -7.084 0.634 -14.714 1.00 71.22 H new ATOM 0 HB3 ASP A 147 -6.877 2.317 -15.159 1.00 71.22 H new