USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1069 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 12 SER OG : rot -103:sc= 1.12 USER MOD Set 1.2: A 139 THR OG1 : rot 180:sc= 1.07 USER MOD Set 2.1: A 108 SER OG : rot 180:sc= 1.04 USER MOD Set 2.2: A 130 SER OG : rot -103:sc= 1.25 USER MOD Set 3.1: A 80 TYR OH : rot -78:sc= 1.22 USER MOD Set 3.2: A 126 SER OG : rot 126:sc= 0.996 USER MOD Set 4.1: A 61 GLN : amide:sc= 0.149 K(o=1.3,f=-5.4!) USER MOD Set 4.2: A 63 TYR OH : rot 153:sc= 1.14 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.145 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 110:sc= 0.393 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -170:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0923 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 15 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.12) USER MOD Single : A 17 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -2.25 K(o=-2.2,f=-7.3!) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 0.918 (180deg=0.765) USER MOD Single : A 21 MET CE :methyl -149:sc= -0.226 (180deg=-1.29) USER MOD Single : A 25 ASN : amide:sc= -7.13! C(o=-7.1!,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= -0.409 (180deg=-3.39!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.147 USER MOD Single : A 42 SER OG : rot 180:sc= -1.27 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -178:sc= 1.27 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.774 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.417 K(o=-0.42,f=-5.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.991 K(o=-0.99,f=-2.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.485 USER MOD Single : A 66 THR OG1 : rot 17:sc= -0.372 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.047) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.196 F(o=-0.7,f=-0.2) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -172:sc= 0.958 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= -0.134 (180deg=-0.818) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.02) USER MOD Single : A 116 ASN :FLIP amide:sc= 0.239 F(o=-0.76,f=0.24) USER MOD Single : A 118 MET CE :methyl -153:sc= -0.231 (180deg=-1.29) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 134 SER OG : rot -38:sc= 1.2 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 117.125 -23.574 9.984 1.00 0.00 N ATOM 2 CA ALA A 1 116.347 -22.631 9.131 1.00 0.00 C ATOM 3 C ALA A 1 117.253 -22.075 8.038 1.00 0.00 C ATOM 4 O ALA A 1 118.471 -22.236 8.085 1.00 0.00 O ATOM 5 CB ALA A 1 115.810 -21.489 9.996 1.00 0.00 C ATOM 0 H1 ALA A 1 116.739 -24.534 9.881 1.00 0.00 H new ATOM 0 H2 ALA A 1 118.122 -23.568 9.688 1.00 0.00 H new ATOM 0 H3 ALA A 1 117.057 -23.279 10.979 1.00 0.00 H new ATOM 0 HA ALA A 1 115.509 -23.155 8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 1 115.241 -20.798 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 1 115.163 -21.895 10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 1 116.643 -20.959 10.457 1.00 0.00 H new ATOM 13 N THR A 2 116.646 -21.418 7.052 1.00 0.00 N ATOM 14 CA THR A 2 117.400 -20.837 5.942 1.00 0.00 C ATOM 15 C THR A 2 117.106 -19.345 5.827 1.00 0.00 C ATOM 16 O THR A 2 115.968 -18.912 6.014 1.00 0.00 O ATOM 17 CB THR A 2 117.030 -21.536 4.631 1.00 0.00 C ATOM 18 OG1 THR A 2 115.656 -21.316 4.350 1.00 0.00 O ATOM 19 CG2 THR A 2 117.297 -23.039 4.751 1.00 0.00 C ATOM 0 H THR A 2 115.638 -21.275 6.998 1.00 0.00 H new ATOM 0 HA THR A 2 118.464 -20.976 6.135 1.00 0.00 H new ATOM 0 HB THR A 2 117.636 -21.129 3.822 1.00 0.00 H new ATOM 0 HG1 THR A 2 115.572 -20.715 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 2 117.032 -23.531 3.815 1.00 0.00 H new ATOM 0 HG22 THR A 2 118.353 -23.205 4.962 1.00 0.00 H new ATOM 0 HG23 THR A 2 116.696 -23.452 5.561 1.00 0.00 H new ATOM 27 N SER A 3 118.136 -18.562 5.518 1.00 0.00 N ATOM 28 CA SER A 3 117.990 -17.112 5.424 1.00 0.00 C ATOM 29 C SER A 3 118.498 -16.618 4.074 1.00 0.00 C ATOM 30 O SER A 3 119.411 -17.205 3.499 1.00 0.00 O ATOM 31 CB SER A 3 118.778 -16.434 6.545 1.00 0.00 C ATOM 32 OG SER A 3 118.305 -16.907 7.799 1.00 0.00 O ATOM 0 H SER A 3 119.078 -18.905 5.329 1.00 0.00 H new ATOM 0 HA SER A 3 116.934 -16.861 5.522 1.00 0.00 H new ATOM 0 HB2 SER A 3 119.842 -16.648 6.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 118.663 -15.352 6.484 1.00 0.00 H new ATOM 0 HG SER A 3 118.808 -16.477 8.522 1.00 0.00 H new ATOM 38 N THR A 4 117.898 -15.546 3.567 1.00 0.00 N ATOM 39 CA THR A 4 118.315 -14.979 2.286 1.00 0.00 C ATOM 40 C THR A 4 118.596 -13.488 2.433 1.00 0.00 C ATOM 41 O THR A 4 117.805 -12.755 3.026 1.00 0.00 O ATOM 42 CB THR A 4 117.220 -15.190 1.238 1.00 0.00 C ATOM 43 OG1 THR A 4 116.874 -16.568 1.190 1.00 0.00 O ATOM 44 CG2 THR A 4 117.731 -14.744 -0.133 1.00 0.00 C ATOM 0 H THR A 4 117.127 -15.054 4.018 1.00 0.00 H new ATOM 0 HA THR A 4 119.226 -15.484 1.965 1.00 0.00 H new ATOM 0 HB THR A 4 116.342 -14.602 1.505 1.00 0.00 H new ATOM 0 HG1 THR A 4 116.293 -16.733 0.418 1.00 0.00 H new ATOM 0 HG21 THR A 4 116.951 -14.895 -0.879 1.00 0.00 H new ATOM 0 HG22 THR A 4 117.998 -13.688 -0.096 1.00 0.00 H new ATOM 0 HG23 THR A 4 118.609 -15.331 -0.403 1.00 0.00 H new ATOM 52 N VAL A 5 119.726 -13.043 1.890 1.00 0.00 N ATOM 53 CA VAL A 5 120.093 -11.630 1.955 1.00 0.00 C ATOM 54 C VAL A 5 120.052 -11.044 0.551 1.00 0.00 C ATOM 55 O VAL A 5 120.650 -11.598 -0.368 1.00 0.00 O ATOM 56 CB VAL A 5 121.500 -11.472 2.544 1.00 0.00 C ATOM 57 CG1 VAL A 5 121.835 -9.985 2.687 1.00 0.00 C ATOM 58 CG2 VAL A 5 121.561 -12.132 3.924 1.00 0.00 C ATOM 0 H VAL A 5 120.399 -13.635 1.403 1.00 0.00 H new ATOM 0 HA VAL A 5 119.388 -11.102 2.597 1.00 0.00 H new ATOM 0 HB VAL A 5 122.219 -11.949 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 5 122.835 -9.876 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 5 121.798 -9.508 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 5 121.111 -9.511 3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 5 122.563 -12.017 4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 5 120.838 -11.657 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 5 121.326 -13.192 3.831 1.00 0.00 H new ATOM 68 N THR A 6 119.336 -9.935 0.391 1.00 0.00 N ATOM 69 CA THR A 6 119.165 -9.329 -0.925 1.00 0.00 C ATOM 70 C THR A 6 119.307 -7.813 -0.837 1.00 0.00 C ATOM 71 O THR A 6 118.942 -7.206 0.170 1.00 0.00 O ATOM 72 CB THR A 6 117.777 -9.687 -1.470 1.00 0.00 C ATOM 73 OG1 THR A 6 117.535 -11.070 -1.254 1.00 0.00 O ATOM 74 CG2 THR A 6 117.694 -9.397 -2.973 1.00 0.00 C ATOM 0 H THR A 6 118.868 -9.441 1.151 1.00 0.00 H new ATOM 0 HA THR A 6 119.935 -9.712 -1.595 1.00 0.00 H new ATOM 0 HB THR A 6 117.032 -9.084 -0.952 1.00 0.00 H new ATOM 0 HG1 THR A 6 116.648 -11.305 -1.599 1.00 0.00 H new ATOM 0 HG21 THR A 6 116.701 -9.658 -3.340 1.00 0.00 H new ATOM 0 HG22 THR A 6 117.879 -8.338 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 6 118.442 -9.989 -3.500 1.00 0.00 H new ATOM 82 N GLY A 7 119.846 -7.204 -1.889 1.00 0.00 N ATOM 83 CA GLY A 7 119.948 -5.751 -1.944 1.00 0.00 C ATOM 84 C GLY A 7 119.603 -5.266 -3.345 1.00 0.00 C ATOM 85 O GLY A 7 119.819 -5.989 -4.317 1.00 0.00 O ATOM 0 H GLY A 7 120.215 -7.689 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 7 119.272 -5.301 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 7 120.957 -5.437 -1.678 1.00 0.00 H new ATOM 89 N GLY A 8 119.073 -4.052 -3.445 1.00 0.00 N ATOM 90 CA GLY A 8 118.681 -3.522 -4.746 1.00 0.00 C ATOM 91 C GLY A 8 118.657 -1.999 -4.751 1.00 0.00 C ATOM 92 O GLY A 8 118.742 -1.359 -3.704 1.00 0.00 O ATOM 0 H GLY A 8 118.907 -3.426 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 8 119.375 -3.877 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 8 117.695 -3.902 -5.011 1.00 0.00 H new ATOM 96 N TYR A 9 118.511 -1.440 -5.948 1.00 0.00 N ATOM 97 CA TYR A 9 118.468 0.007 -6.129 1.00 0.00 C ATOM 98 C TYR A 9 117.186 0.396 -6.857 1.00 0.00 C ATOM 99 O TYR A 9 116.680 -0.369 -7.683 1.00 0.00 O ATOM 100 CB TYR A 9 119.698 0.472 -6.916 1.00 0.00 C ATOM 101 CG TYR A 9 119.723 0.009 -8.355 1.00 0.00 C ATOM 102 CD1 TYR A 9 120.236 -1.254 -8.675 1.00 0.00 C ATOM 103 CD2 TYR A 9 119.234 0.842 -9.368 1.00 0.00 C ATOM 104 CE1 TYR A 9 120.259 -1.683 -10.007 1.00 0.00 C ATOM 105 CE2 TYR A 9 119.258 0.413 -10.701 1.00 0.00 C ATOM 106 CZ TYR A 9 119.771 -0.850 -11.021 1.00 0.00 C ATOM 107 OH TYR A 9 119.794 -1.273 -12.333 1.00 0.00 O ATOM 0 H TYR A 9 118.420 -1.972 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 9 118.478 0.494 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 9 119.738 1.561 -6.895 1.00 0.00 H new ATOM 0 HB3 TYR A 9 120.595 0.110 -6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 9 120.614 -1.897 -7.894 1.00 0.00 H new ATOM 0 HD2 TYR A 9 118.838 1.816 -9.122 1.00 0.00 H new ATOM 0 HE1 TYR A 9 120.654 -2.658 -10.253 1.00 0.00 H new ATOM 0 HE2 TYR A 9 118.881 1.056 -11.482 1.00 0.00 H new ATOM 0 HH TYR A 9 119.417 -0.575 -12.908 1.00 0.00 H new ATOM 117 N ALA A 10 116.620 1.544 -6.492 1.00 0.00 N ATOM 118 CA ALA A 10 115.405 2.022 -7.143 1.00 0.00 C ATOM 119 C ALA A 10 115.462 3.527 -7.385 1.00 0.00 C ATOM 120 O ALA A 10 116.010 4.276 -6.578 1.00 0.00 O ATOM 121 CB ALA A 10 114.190 1.688 -6.276 1.00 0.00 C ATOM 0 H ALA A 10 116.979 2.154 -5.757 1.00 0.00 H new ATOM 0 HA ALA A 10 115.319 1.524 -8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 10 113.284 2.046 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 10 114.126 0.608 -6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 10 114.293 2.171 -5.304 1.00 0.00 H new ATOM 127 N GLN A 11 114.889 3.951 -8.508 1.00 0.00 N ATOM 128 CA GLN A 11 114.732 5.371 -8.807 1.00 0.00 C ATOM 129 C GLN A 11 113.246 5.689 -8.931 1.00 0.00 C ATOM 130 O GLN A 11 112.490 4.899 -9.497 1.00 0.00 O ATOM 131 CB GLN A 11 115.447 5.718 -10.115 1.00 0.00 C ATOM 132 CG GLN A 11 115.390 7.231 -10.344 1.00 0.00 C ATOM 133 CD GLN A 11 116.142 7.622 -11.616 1.00 0.00 C ATOM 134 OE1 GLN A 11 116.819 6.796 -12.233 1.00 0.00 O ATOM 135 NE2 GLN A 11 116.063 8.850 -12.051 1.00 0.00 N ATOM 0 H GLN A 11 114.524 3.328 -9.229 1.00 0.00 H new ATOM 0 HA GLN A 11 115.172 5.962 -8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 11 116.484 5.385 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 11 114.977 5.196 -10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 11 114.351 7.552 -10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 11 115.823 7.748 -9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 11 115.504 9.536 -11.543 1.00 0.00 H new ATOM 0 HE22 GLN A 11 116.560 9.124 -12.899 1.00 0.00 H new ATOM 144 N SER A 12 112.821 6.838 -8.408 1.00 0.00 N ATOM 145 CA SER A 12 111.396 7.165 -8.375 1.00 0.00 C ATOM 146 C SER A 12 111.111 8.441 -9.155 1.00 0.00 C ATOM 147 O SER A 12 111.853 9.419 -9.054 1.00 0.00 O ATOM 148 CB SER A 12 110.945 7.348 -6.926 1.00 0.00 C ATOM 149 OG SER A 12 111.206 6.155 -6.201 1.00 0.00 O ATOM 0 H SER A 12 113.432 7.549 -8.007 1.00 0.00 H new ATOM 0 HA SER A 12 110.846 6.345 -8.836 1.00 0.00 H new ATOM 0 HB2 SER A 12 111.473 8.187 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 12 109.881 7.584 -6.891 1.00 0.00 H new ATOM 0 HG SER A 12 110.371 5.658 -6.078 1.00 0.00 H new ATOM 155 N ASP A 13 110.016 8.417 -9.908 1.00 0.00 N ATOM 156 CA ASP A 13 109.569 9.586 -10.649 1.00 0.00 C ATOM 157 C ASP A 13 108.391 10.210 -9.916 1.00 0.00 C ATOM 158 O ASP A 13 107.521 9.496 -9.421 1.00 0.00 O ATOM 159 CB ASP A 13 109.150 9.188 -12.067 1.00 0.00 C ATOM 160 CG ASP A 13 110.342 8.632 -12.842 1.00 0.00 C ATOM 161 OD1 ASP A 13 111.456 9.057 -12.577 1.00 0.00 O ATOM 162 OD2 ASP A 13 110.124 7.786 -13.693 1.00 0.00 O ATOM 0 H ASP A 13 109.421 7.596 -10.020 1.00 0.00 H new ATOM 0 HA ASP A 13 110.385 10.306 -10.721 1.00 0.00 H new ATOM 0 HB2 ASP A 13 108.358 8.441 -12.022 1.00 0.00 H new ATOM 0 HB3 ASP A 13 108.742 10.054 -12.588 1.00 0.00 H new ATOM 167 N ALA A 14 108.365 11.537 -9.850 1.00 0.00 N ATOM 168 CA ALA A 14 107.362 12.241 -9.063 1.00 0.00 C ATOM 169 C ALA A 14 106.493 13.115 -9.958 1.00 0.00 C ATOM 170 O ALA A 14 106.934 14.147 -10.464 1.00 0.00 O ATOM 171 CB ALA A 14 108.059 13.093 -8.000 1.00 0.00 C ATOM 0 H ALA A 14 109.027 12.145 -10.332 1.00 0.00 H new ATOM 0 HA ALA A 14 106.716 11.512 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 14 107.311 13.621 -7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.649 12.450 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 14 108.715 13.816 -8.485 1.00 0.00 H new ATOM 177 N GLN A 15 105.253 12.684 -10.143 1.00 0.00 N ATOM 178 CA GLN A 15 104.286 13.459 -10.910 1.00 0.00 C ATOM 179 C GLN A 15 103.600 14.468 -9.996 1.00 0.00 C ATOM 180 O GLN A 15 102.964 14.095 -9.008 1.00 0.00 O ATOM 181 CB GLN A 15 103.243 12.529 -11.532 1.00 0.00 C ATOM 182 CG GLN A 15 102.323 13.330 -12.456 1.00 0.00 C ATOM 183 CD GLN A 15 103.056 13.680 -13.747 1.00 0.00 C ATOM 184 OE1 GLN A 15 103.425 12.790 -14.512 1.00 0.00 O ATOM 185 NE2 GLN A 15 103.287 14.931 -14.036 1.00 0.00 N ATOM 0 H GLN A 15 104.893 11.804 -9.774 1.00 0.00 H new ATOM 0 HA GLN A 15 104.806 13.989 -11.708 1.00 0.00 H new ATOM 0 HB2 GLN A 15 103.737 11.736 -12.093 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.658 12.048 -10.749 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.428 12.751 -12.682 1.00 0.00 H new ATOM 0 HG3 GLN A 15 101.995 14.241 -11.956 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.980 15.667 -13.400 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.775 15.174 -14.898 1.00 0.00 H new ATOM 194 N GLY A 16 103.723 15.739 -10.363 1.00 0.00 N ATOM 195 CA GLY A 16 103.230 16.842 -9.539 1.00 0.00 C ATOM 196 C GLY A 16 104.271 17.334 -8.521 1.00 0.00 C ATOM 197 O GLY A 16 104.113 18.412 -7.948 1.00 0.00 O ATOM 0 H GLY A 16 104.164 16.035 -11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 16 102.940 17.671 -10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 16 102.333 16.521 -9.009 1.00 0.00 H new ATOM 201 N GLN A 17 105.332 16.554 -8.294 1.00 0.00 N ATOM 202 CA GLN A 17 106.463 16.998 -7.485 1.00 0.00 C ATOM 203 C GLN A 17 107.715 17.055 -8.359 1.00 0.00 C ATOM 204 O GLN A 17 107.880 16.233 -9.260 1.00 0.00 O ATOM 205 CB GLN A 17 106.670 16.041 -6.307 1.00 0.00 C ATOM 206 CG GLN A 17 107.728 16.600 -5.353 1.00 0.00 C ATOM 207 CD GLN A 17 107.153 17.774 -4.567 1.00 0.00 C ATOM 208 OE1 GLN A 17 106.217 17.600 -3.787 1.00 0.00 O ATOM 209 NE2 GLN A 17 107.661 18.965 -4.726 1.00 0.00 N ATOM 0 H GLN A 17 105.428 15.608 -8.663 1.00 0.00 H new ATOM 0 HA GLN A 17 106.263 17.993 -7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.729 15.898 -5.775 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.981 15.063 -6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 17 108.060 15.820 -4.667 1.00 0.00 H new ATOM 0 HG3 GLN A 17 108.604 16.923 -5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 17 108.437 19.106 -5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 17 107.283 19.755 -4.203 1.00 0.00 H new ATOM 218 N MET A 18 108.591 18.019 -8.095 1.00 0.00 N ATOM 219 CA MET A 18 109.790 18.187 -8.912 1.00 0.00 C ATOM 220 C MET A 18 110.943 17.331 -8.390 1.00 0.00 C ATOM 221 O MET A 18 110.939 16.898 -7.239 1.00 0.00 O ATOM 222 CB MET A 18 110.210 19.658 -8.921 1.00 0.00 C ATOM 223 CG MET A 18 109.140 20.492 -9.627 1.00 0.00 C ATOM 224 SD MET A 18 109.689 22.213 -9.738 1.00 0.00 S ATOM 225 CE MET A 18 108.178 22.886 -10.471 1.00 0.00 C ATOM 0 H MET A 18 108.497 18.689 -7.332 1.00 0.00 H new ATOM 0 HA MET A 18 109.554 17.863 -9.926 1.00 0.00 H new ATOM 0 HB2 MET A 18 110.348 20.014 -7.900 1.00 0.00 H new ATOM 0 HB3 MET A 18 111.167 19.770 -9.430 1.00 0.00 H new ATOM 0 HG2 MET A 18 108.953 20.094 -10.624 1.00 0.00 H new ATOM 0 HG3 MET A 18 108.199 20.434 -9.080 1.00 0.00 H new ATOM 0 HE1 MET A 18 108.297 23.958 -10.629 1.00 0.00 H new ATOM 0 HE2 MET A 18 107.988 22.397 -11.426 1.00 0.00 H new ATOM 0 HE3 MET A 18 107.338 22.709 -9.799 1.00 0.00 H new ATOM 235 N ASN A 19 111.924 17.092 -9.261 1.00 0.00 N ATOM 236 CA ASN A 19 113.139 16.354 -8.905 1.00 0.00 C ATOM 237 C ASN A 19 112.864 14.866 -8.700 1.00 0.00 C ATOM 238 O ASN A 19 111.830 14.478 -8.157 1.00 0.00 O ATOM 239 CB ASN A 19 113.786 16.933 -7.641 1.00 0.00 C ATOM 240 CG ASN A 19 115.188 16.358 -7.467 1.00 0.00 C ATOM 241 OD1 ASN A 19 115.412 15.518 -6.596 1.00 0.00 O ATOM 242 ND2 ASN A 19 116.150 16.762 -8.252 1.00 0.00 N ATOM 0 H ASN A 19 111.900 17.403 -10.232 1.00 0.00 H new ATOM 0 HA ASN A 19 113.827 16.463 -9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 19 113.835 18.020 -7.712 1.00 0.00 H new ATOM 0 HB3 ASN A 19 113.176 16.698 -6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 19 117.090 16.381 -8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 19 115.961 17.458 -8.973 1.00 0.00 H new ATOM 249 N LYS A 20 113.810 14.043 -9.146 1.00 0.00 N ATOM 250 CA LYS A 20 113.715 12.592 -8.993 1.00 0.00 C ATOM 251 C LYS A 20 114.374 12.159 -7.687 1.00 0.00 C ATOM 252 O LYS A 20 115.158 12.910 -7.106 1.00 0.00 O ATOM 253 CB LYS A 20 114.408 11.889 -10.166 1.00 0.00 C ATOM 254 CG LYS A 20 113.822 12.369 -11.497 1.00 0.00 C ATOM 255 CD LYS A 20 112.349 11.964 -11.591 1.00 0.00 C ATOM 256 CE LYS A 20 111.819 12.287 -12.989 1.00 0.00 C ATOM 257 NZ LYS A 20 112.385 11.319 -13.971 1.00 0.00 N ATOM 0 H LYS A 20 114.657 14.358 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 20 112.661 12.314 -8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 20 115.479 12.092 -10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 20 114.285 10.810 -10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 20 113.917 13.452 -11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 20 114.381 11.938 -12.328 1.00 0.00 H new ATOM 0 HD2 LYS A 20 112.240 10.899 -11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 20 111.766 12.495 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 20 110.730 12.235 -12.998 1.00 0.00 H new ATOM 0 HE3 LYS A 20 112.092 13.305 -13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 111.877 11.404 -14.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 113.393 11.525 -14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 112.280 10.351 -13.605 1.00 0.00 H new ATOM 271 N MET A 21 114.061 10.950 -7.221 1.00 0.00 N ATOM 272 CA MET A 21 114.609 10.464 -5.953 1.00 0.00 C ATOM 273 C MET A 21 115.347 9.147 -6.159 1.00 0.00 C ATOM 274 O MET A 21 115.027 8.391 -7.075 1.00 0.00 O ATOM 275 CB MET A 21 113.478 10.261 -4.944 1.00 0.00 C ATOM 276 CG MET A 21 112.827 11.610 -4.628 1.00 0.00 C ATOM 277 SD MET A 21 111.643 11.417 -3.271 1.00 0.00 S ATOM 278 CE MET A 21 110.550 10.220 -4.077 1.00 0.00 C ATOM 0 H MET A 21 113.439 10.295 -7.695 1.00 0.00 H new ATOM 0 HA MET A 21 115.311 11.206 -5.572 1.00 0.00 H new ATOM 0 HB2 MET A 21 112.736 9.573 -5.348 1.00 0.00 H new ATOM 0 HB3 MET A 21 113.867 9.810 -4.031 1.00 0.00 H new ATOM 0 HG2 MET A 21 113.591 12.338 -4.355 1.00 0.00 H new ATOM 0 HG3 MET A 21 112.320 11.996 -5.513 1.00 0.00 H new ATOM 0 HE1 MET A 21 109.530 10.359 -3.718 1.00 0.00 H new ATOM 0 HE2 MET A 21 110.578 10.371 -5.156 1.00 0.00 H new ATOM 0 HE3 MET A 21 110.882 9.209 -3.843 1.00 0.00 H new ATOM 288 N GLY A 22 116.323 8.869 -5.300 1.00 0.00 N ATOM 289 CA GLY A 22 117.088 7.627 -5.406 1.00 0.00 C ATOM 290 C GLY A 22 117.271 6.994 -4.033 1.00 0.00 C ATOM 291 O GLY A 22 117.527 7.700 -3.059 1.00 0.00 O ATOM 0 H GLY A 22 116.602 9.478 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 22 116.573 6.931 -6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 22 118.062 7.830 -5.852 1.00 0.00 H new ATOM 295 N GLY A 23 117.134 5.671 -3.955 1.00 0.00 N ATOM 296 CA GLY A 23 117.233 4.990 -2.667 1.00 0.00 C ATOM 297 C GLY A 23 117.679 3.540 -2.815 1.00 0.00 C ATOM 298 O GLY A 23 117.689 2.987 -3.915 1.00 0.00 O ATOM 0 H GLY A 23 116.958 5.060 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 23 117.939 5.522 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 23 116.265 5.021 -2.166 1.00 0.00 H new ATOM 302 N PHE A 24 118.027 2.931 -1.684 1.00 0.00 N ATOM 303 CA PHE A 24 118.478 1.542 -1.661 1.00 0.00 C ATOM 304 C PHE A 24 117.586 0.725 -0.732 1.00 0.00 C ATOM 305 O PHE A 24 116.993 1.275 0.197 1.00 0.00 O ATOM 306 CB PHE A 24 119.928 1.469 -1.177 1.00 0.00 C ATOM 307 CG PHE A 24 120.898 2.197 -2.076 1.00 0.00 C ATOM 308 CD1 PHE A 24 121.432 1.552 -3.199 1.00 0.00 C ATOM 309 CD2 PHE A 24 121.265 3.517 -1.787 1.00 0.00 C ATOM 310 CE1 PHE A 24 122.332 2.228 -4.032 1.00 0.00 C ATOM 311 CE2 PHE A 24 122.166 4.192 -2.620 1.00 0.00 C ATOM 312 CZ PHE A 24 122.698 3.548 -3.742 1.00 0.00 C ATOM 0 H PHE A 24 118.005 3.380 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 24 118.418 1.134 -2.670 1.00 0.00 H new ATOM 0 HB2 PHE A 24 119.990 1.889 -0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 24 120.227 0.423 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 24 121.150 0.534 -3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 24 120.853 4.015 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 24 122.744 1.731 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 24 122.450 5.210 -2.396 1.00 0.00 H new ATOM 0 HZ PHE A 24 123.392 4.069 -4.385 1.00 0.00 H new ATOM 322 N ASN A 25 117.485 -0.577 -0.987 1.00 0.00 N ATOM 323 CA ASN A 25 116.615 -1.437 -0.187 1.00 0.00 C ATOM 324 C ASN A 25 117.327 -2.731 0.199 1.00 0.00 C ATOM 325 O ASN A 25 118.052 -3.307 -0.611 1.00 0.00 O ATOM 326 CB ASN A 25 115.357 -1.779 -0.987 1.00 0.00 C ATOM 327 CG ASN A 25 114.625 -0.504 -1.398 1.00 0.00 C ATOM 328 OD1 ASN A 25 114.795 0.543 -0.774 1.00 0.00 O ATOM 329 ND2 ASN A 25 113.815 -0.531 -2.422 1.00 0.00 N ATOM 0 H ASN A 25 117.989 -1.057 -1.733 1.00 0.00 H new ATOM 0 HA ASN A 25 116.349 -0.899 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 25 115.627 -2.353 -1.874 1.00 0.00 H new ATOM 0 HB3 ASN A 25 114.698 -2.408 -0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 25 113.323 0.316 -2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 25 113.675 -1.399 -2.939 1.00 0.00 H new ATOM 336 N LEU A 26 117.093 -3.186 1.430 1.00 0.00 N ATOM 337 CA LEU A 26 117.629 -4.464 1.894 1.00 0.00 C ATOM 338 C LEU A 26 116.468 -5.345 2.349 1.00 0.00 C ATOM 339 O LEU A 26 115.578 -4.875 3.055 1.00 0.00 O ATOM 340 CB LEU A 26 118.587 -4.253 3.077 1.00 0.00 C ATOM 341 CG LEU A 26 120.006 -3.877 2.620 1.00 0.00 C ATOM 342 CD1 LEU A 26 120.641 -5.039 1.850 1.00 0.00 C ATOM 343 CD2 LEU A 26 119.980 -2.617 1.745 1.00 0.00 C ATOM 0 H LEU A 26 116.535 -2.688 2.124 1.00 0.00 H new ATOM 0 HA LEU A 26 118.177 -4.937 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 26 118.196 -3.467 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 26 118.630 -5.164 3.674 1.00 0.00 H new ATOM 0 HG LEU A 26 120.606 -3.669 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 26 121.645 -4.759 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 26 120.695 -5.916 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.035 -5.270 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 26 120.995 -2.370 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 26 119.364 -2.798 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 26 119.563 -1.787 2.315 1.00 0.00 H new ATOM 355 N LYS A 27 116.483 -6.622 1.970 1.00 0.00 N ATOM 356 CA LYS A 27 115.349 -7.506 2.245 1.00 0.00 C ATOM 357 C LYS A 27 115.759 -8.719 3.074 1.00 0.00 C ATOM 358 O LYS A 27 116.830 -9.293 2.876 1.00 0.00 O ATOM 359 CB LYS A 27 114.745 -7.987 0.925 1.00 0.00 C ATOM 360 CG LYS A 27 114.209 -6.787 0.141 1.00 0.00 C ATOM 361 CD LYS A 27 113.505 -7.276 -1.126 1.00 0.00 C ATOM 362 CE LYS A 27 113.081 -6.075 -1.972 1.00 0.00 C ATOM 363 NZ LYS A 27 111.848 -5.470 -1.393 1.00 0.00 N ATOM 0 H LYS A 27 117.258 -7.065 1.477 1.00 0.00 H new ATOM 0 HA LYS A 27 114.618 -6.935 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 27 115.499 -8.511 0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 27 113.941 -8.697 1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 27 113.515 -6.217 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 27 115.027 -6.116 -0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 27 114.172 -7.920 -1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.633 -7.874 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 27 113.882 -5.336 -2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 27 112.897 -6.387 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 111.114 -5.407 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 111.505 -6.063 -0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 112.063 -4.517 -1.037 1.00 0.00 H new ATOM 377 N TYR A 28 114.887 -9.098 4.006 1.00 0.00 N ATOM 378 CA TYR A 28 115.092 -10.297 4.814 1.00 0.00 C ATOM 379 C TYR A 28 113.850 -11.183 4.745 1.00 0.00 C ATOM 380 O TYR A 28 112.729 -10.674 4.748 1.00 0.00 O ATOM 381 CB TYR A 28 115.367 -9.908 6.268 1.00 0.00 C ATOM 382 CG TYR A 28 116.584 -9.031 6.435 1.00 0.00 C ATOM 383 CD1 TYR A 28 117.862 -9.602 6.456 1.00 0.00 C ATOM 384 CD2 TYR A 28 116.435 -7.645 6.568 1.00 0.00 C ATOM 385 CE1 TYR A 28 118.990 -8.788 6.610 1.00 0.00 C ATOM 386 CE2 TYR A 28 117.563 -6.830 6.723 1.00 0.00 C ATOM 387 CZ TYR A 28 118.841 -7.403 6.744 1.00 0.00 C ATOM 388 OH TYR A 28 119.954 -6.600 6.897 1.00 0.00 O ATOM 0 H TYR A 28 114.029 -8.590 4.220 1.00 0.00 H new ATOM 0 HA TYR A 28 115.949 -10.846 4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.496 -9.388 6.668 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.497 -10.814 6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 28 117.978 -10.671 6.353 1.00 0.00 H new ATOM 0 HD2 TYR A 28 115.449 -7.204 6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 28 119.976 -9.229 6.625 1.00 0.00 H new ATOM 0 HE2 TYR A 28 117.448 -5.761 6.826 1.00 0.00 H new ATOM 0 HH TYR A 28 119.674 -5.664 6.975 1.00 0.00 H new ATOM 398 N ARG A 29 114.047 -12.499 4.642 1.00 0.00 N ATOM 399 CA ARG A 29 112.921 -13.428 4.558 1.00 0.00 C ATOM 400 C ARG A 29 113.150 -14.674 5.411 1.00 0.00 C ATOM 401 O ARG A 29 114.260 -15.204 5.469 1.00 0.00 O ATOM 402 CB ARG A 29 112.670 -13.826 3.103 1.00 0.00 C ATOM 403 CG ARG A 29 113.908 -14.523 2.535 1.00 0.00 C ATOM 404 CD ARG A 29 113.704 -14.792 1.042 1.00 0.00 C ATOM 405 NE ARG A 29 112.504 -15.607 0.831 1.00 0.00 N ATOM 406 CZ ARG A 29 112.135 -16.087 -0.366 1.00 0.00 C ATOM 407 NH1 ARG A 29 112.831 -15.860 -1.455 1.00 0.00 N ATOM 408 NH2 ARG A 29 111.048 -16.804 -0.452 1.00 0.00 N ATOM 0 H ARG A 29 114.966 -12.941 4.615 1.00 0.00 H new ATOM 0 HA ARG A 29 112.042 -12.915 4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 29 111.808 -14.490 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 29 112.435 -12.942 2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 29 114.790 -13.900 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 29 114.085 -15.460 3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 29 113.610 -13.848 0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 29 114.576 -15.304 0.635 1.00 0.00 H new ATOM 0 HE ARG A 29 111.918 -15.821 1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 29 113.684 -15.302 -1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 29 112.519 -16.242 -2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 29 110.493 -16.992 0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 29 110.753 -17.177 -1.354 1.00 0.00 H new ATOM 422 N TYR A 30 112.089 -15.137 6.072 1.00 0.00 N ATOM 423 CA TYR A 30 112.182 -16.291 6.964 1.00 0.00 C ATOM 424 C TYR A 30 111.207 -17.388 6.542 1.00 0.00 C ATOM 425 O TYR A 30 110.087 -17.104 6.118 1.00 0.00 O ATOM 426 CB TYR A 30 111.873 -15.863 8.400 1.00 0.00 C ATOM 427 CG TYR A 30 112.800 -14.790 8.920 1.00 0.00 C ATOM 428 CD1 TYR A 30 114.062 -15.136 9.419 1.00 0.00 C ATOM 429 CD2 TYR A 30 112.397 -13.450 8.902 1.00 0.00 C ATOM 430 CE1 TYR A 30 114.920 -14.141 9.900 1.00 0.00 C ATOM 431 CE2 TYR A 30 113.256 -12.455 9.384 1.00 0.00 C ATOM 432 CZ TYR A 30 114.518 -12.800 9.883 1.00 0.00 C ATOM 433 OH TYR A 30 115.365 -11.819 10.358 1.00 0.00 O ATOM 0 H TYR A 30 111.156 -14.730 6.006 1.00 0.00 H new ATOM 0 HA TYR A 30 113.197 -16.685 6.906 1.00 0.00 H new ATOM 0 HB2 TYR A 30 110.846 -15.501 8.450 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.936 -16.734 9.052 1.00 0.00 H new ATOM 0 HD1 TYR A 30 114.373 -16.170 9.433 1.00 0.00 H new ATOM 0 HD2 TYR A 30 111.424 -13.184 8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 30 115.893 -14.408 10.285 1.00 0.00 H new ATOM 0 HE2 TYR A 30 112.945 -11.421 9.371 1.00 0.00 H new ATOM 0 HH TYR A 30 114.932 -10.944 10.273 1.00 0.00 H new ATOM 443 N GLU A 31 111.640 -18.643 6.659 1.00 0.00 N ATOM 444 CA GLU A 31 110.801 -19.782 6.285 1.00 0.00 C ATOM 445 C GLU A 31 110.607 -20.729 7.469 1.00 0.00 C ATOM 446 O GLU A 31 111.507 -20.897 8.293 1.00 0.00 O ATOM 447 CB GLU A 31 111.452 -20.541 5.127 1.00 0.00 C ATOM 448 CG GLU A 31 110.489 -21.617 4.607 1.00 0.00 C ATOM 449 CD GLU A 31 111.124 -22.468 3.501 1.00 0.00 C ATOM 450 OE1 GLU A 31 112.280 -22.253 3.167 1.00 0.00 O ATOM 451 OE2 GLU A 31 110.430 -23.335 2.995 1.00 0.00 O ATOM 0 H GLU A 31 112.564 -18.897 7.009 1.00 0.00 H new ATOM 0 HA GLU A 31 109.825 -19.405 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 31 111.707 -19.849 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 31 112.382 -21.002 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 31 110.186 -22.262 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 31 109.586 -21.141 4.225 1.00 0.00 H new ATOM 458 N GLU A 32 109.429 -21.342 7.547 1.00 0.00 N ATOM 459 CA GLU A 32 109.138 -22.294 8.617 1.00 0.00 C ATOM 460 C GLU A 32 109.382 -23.723 8.138 1.00 0.00 C ATOM 461 O GLU A 32 109.057 -24.071 7.002 1.00 0.00 O ATOM 462 CB GLU A 32 107.685 -22.146 9.071 1.00 0.00 C ATOM 463 CG GLU A 32 107.433 -23.040 10.288 1.00 0.00 C ATOM 464 CD GLU A 32 108.167 -22.510 11.519 1.00 0.00 C ATOM 465 OE1 GLU A 32 108.426 -21.317 11.579 1.00 0.00 O ATOM 466 OE2 GLU A 32 108.462 -23.309 12.392 1.00 0.00 O ATOM 0 H GLU A 32 108.664 -21.199 6.887 1.00 0.00 H new ATOM 0 HA GLU A 32 109.801 -22.084 9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 32 107.476 -21.106 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 32 107.010 -22.420 8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 32 106.363 -23.090 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 32 107.764 -24.056 10.072 1.00 0.00 H new ATOM 473 N ASP A 33 109.957 -24.546 9.009 1.00 0.00 N ATOM 474 CA ASP A 33 110.359 -25.895 8.624 1.00 0.00 C ATOM 475 C ASP A 33 109.168 -26.799 8.304 1.00 0.00 C ATOM 476 O ASP A 33 109.189 -27.514 7.303 1.00 0.00 O ATOM 477 CB ASP A 33 111.181 -26.527 9.750 1.00 0.00 C ATOM 478 CG ASP A 33 112.479 -25.753 9.968 1.00 0.00 C ATOM 479 OD1 ASP A 33 112.989 -25.194 9.010 1.00 0.00 O ATOM 480 OD2 ASP A 33 112.947 -25.730 11.095 1.00 0.00 O ATOM 0 H ASP A 33 110.154 -24.305 9.980 1.00 0.00 H new ATOM 0 HA ASP A 33 110.954 -25.803 7.715 1.00 0.00 H new ATOM 0 HB2 ASP A 33 110.598 -26.537 10.671 1.00 0.00 H new ATOM 0 HB3 ASP A 33 111.407 -27.565 9.504 1.00 0.00 H new ATOM 485 N ASN A 34 108.131 -26.772 9.143 1.00 0.00 N ATOM 486 CA ASN A 34 107.004 -27.695 8.969 1.00 0.00 C ATOM 487 C ASN A 34 105.757 -27.032 8.371 1.00 0.00 C ATOM 488 O ASN A 34 104.835 -27.730 7.950 1.00 0.00 O ATOM 489 CB ASN A 34 106.638 -28.303 10.324 1.00 0.00 C ATOM 490 CG ASN A 34 107.847 -29.016 10.920 1.00 0.00 C ATOM 491 OD1 ASN A 34 108.155 -28.838 12.098 1.00 0.00 O ATOM 492 ND2 ASN A 34 108.554 -29.819 10.173 1.00 0.00 N ATOM 0 H ASN A 34 108.046 -26.135 9.935 1.00 0.00 H new ATOM 0 HA ASN A 34 107.331 -28.458 8.263 1.00 0.00 H new ATOM 0 HB2 ASN A 34 106.296 -27.521 11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 34 105.813 -29.006 10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 34 109.363 -30.300 10.565 1.00 0.00 H new ATOM 0 HD22 ASN A 34 108.297 -29.965 9.197 1.00 0.00 H new ATOM 499 N SER A 35 105.718 -25.702 8.332 1.00 0.00 N ATOM 500 CA SER A 35 104.602 -24.995 7.713 1.00 0.00 C ATOM 501 C SER A 35 105.106 -23.695 7.080 1.00 0.00 C ATOM 502 O SER A 35 104.832 -22.606 7.594 1.00 0.00 O ATOM 503 CB SER A 35 103.520 -24.710 8.760 1.00 0.00 C ATOM 504 OG SER A 35 103.360 -25.853 9.589 1.00 0.00 O ATOM 0 H SER A 35 106.442 -25.096 8.719 1.00 0.00 H new ATOM 0 HA SER A 35 104.165 -25.615 6.931 1.00 0.00 H new ATOM 0 HB2 SER A 35 103.799 -23.845 9.362 1.00 0.00 H new ATOM 0 HB3 SER A 35 102.577 -24.467 8.270 1.00 0.00 H new ATOM 0 HG SER A 35 102.670 -25.675 10.262 1.00 0.00 H new ATOM 510 N PRO A 36 105.816 -23.770 5.972 1.00 0.00 N ATOM 511 CA PRO A 36 106.529 -22.571 5.439 1.00 0.00 C ATOM 512 C PRO A 36 105.581 -21.468 4.976 1.00 0.00 C ATOM 513 O PRO A 36 104.593 -21.715 4.283 1.00 0.00 O ATOM 514 CB PRO A 36 107.357 -23.113 4.268 1.00 0.00 C ATOM 515 CG PRO A 36 106.681 -24.374 3.849 1.00 0.00 C ATOM 516 CD PRO A 36 106.017 -24.945 5.098 1.00 0.00 C ATOM 0 HA PRO A 36 107.136 -22.099 6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 36 107.392 -22.396 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 36 108.387 -23.302 4.571 1.00 0.00 H new ATOM 0 HG2 PRO A 36 105.942 -24.178 3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 36 107.400 -25.080 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 36 105.071 -25.430 4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 36 106.647 -25.694 5.577 1.00 0.00 H new ATOM 524 N LEU A 37 105.913 -20.249 5.381 1.00 0.00 N ATOM 525 CA LEU A 37 105.240 -19.045 4.910 1.00 0.00 C ATOM 526 C LEU A 37 106.295 -18.090 4.370 1.00 0.00 C ATOM 527 O LEU A 37 107.328 -17.911 5.020 1.00 0.00 O ATOM 528 CB LEU A 37 104.474 -18.383 6.057 1.00 0.00 C ATOM 529 CG LEU A 37 103.678 -17.192 5.522 1.00 0.00 C ATOM 530 CD1 LEU A 37 102.479 -17.697 4.718 1.00 0.00 C ATOM 531 CD2 LEU A 37 103.184 -16.341 6.694 1.00 0.00 C ATOM 0 H LEU A 37 106.661 -20.066 6.050 1.00 0.00 H new ATOM 0 HA LEU A 37 104.526 -19.300 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.801 -19.104 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 37 105.169 -18.052 6.829 1.00 0.00 H new ATOM 0 HG LEU A 37 104.318 -16.589 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 37 101.912 -16.847 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 37 102.830 -18.303 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.839 -18.301 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.617 -15.492 6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 37 102.545 -16.945 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 37 104.038 -15.979 7.266 1.00 0.00 H new ATOM 543 N GLY A 38 106.057 -17.478 3.209 1.00 0.00 N ATOM 544 CA GLY A 38 107.081 -16.630 2.615 1.00 0.00 C ATOM 545 C GLY A 38 106.865 -15.195 3.061 1.00 0.00 C ATOM 546 O GLY A 38 105.844 -14.589 2.752 1.00 0.00 O ATOM 0 H GLY A 38 105.190 -17.552 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 38 108.072 -16.971 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 38 107.038 -16.695 1.528 1.00 0.00 H new ATOM 550 N VAL A 39 107.832 -14.650 3.790 1.00 0.00 N ATOM 551 CA VAL A 39 107.713 -13.286 4.292 1.00 0.00 C ATOM 552 C VAL A 39 108.881 -12.465 3.778 1.00 0.00 C ATOM 553 O VAL A 39 110.029 -12.899 3.839 1.00 0.00 O ATOM 554 CB VAL A 39 107.712 -13.283 5.827 1.00 0.00 C ATOM 555 CG1 VAL A 39 107.499 -11.857 6.342 1.00 0.00 C ATOM 556 CG2 VAL A 39 106.581 -14.175 6.346 1.00 0.00 C ATOM 0 H VAL A 39 108.698 -15.125 4.045 1.00 0.00 H new ATOM 0 HA VAL A 39 106.775 -12.854 3.943 1.00 0.00 H new ATOM 0 HB VAL A 39 108.670 -13.662 6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 39 107.499 -11.860 7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 39 108.303 -11.216 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 39 106.543 -11.479 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 39 106.584 -14.170 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 39 105.625 -13.797 5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 39 106.728 -15.194 5.988 1.00 0.00 H new ATOM 566 N ILE A 40 108.578 -11.297 3.230 1.00 0.00 N ATOM 567 CA ILE A 40 109.623 -10.372 2.809 1.00 0.00 C ATOM 568 C ILE A 40 109.398 -9.038 3.501 1.00 0.00 C ATOM 569 O ILE A 40 108.274 -8.541 3.530 1.00 0.00 O ATOM 570 CB ILE A 40 109.595 -10.186 1.289 1.00 0.00 C ATOM 571 CG1 ILE A 40 109.750 -11.547 0.604 1.00 0.00 C ATOM 572 CG2 ILE A 40 110.746 -9.272 0.860 1.00 0.00 C ATOM 573 CD1 ILE A 40 109.588 -11.394 -0.912 1.00 0.00 C ATOM 0 H ILE A 40 107.626 -10.968 3.067 1.00 0.00 H new ATOM 0 HA ILE A 40 110.598 -10.775 3.083 1.00 0.00 H new ATOM 0 HB ILE A 40 108.645 -9.736 1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.729 -11.969 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 40 109.005 -12.244 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 40 110.723 -9.142 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 40 110.640 -8.301 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 40 111.695 -9.721 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.700 -12.367 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.599 -10.993 -1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 40 110.350 -10.713 -1.292 1.00 0.00 H new ATOM 585 N GLY A 41 110.456 -8.505 4.098 1.00 0.00 N ATOM 586 CA GLY A 41 110.410 -7.171 4.684 1.00 0.00 C ATOM 587 C GLY A 41 111.577 -6.352 4.154 1.00 0.00 C ATOM 588 O GLY A 41 112.717 -6.816 4.169 1.00 0.00 O ATOM 0 H GLY A 41 111.356 -8.975 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 41 109.467 -6.684 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 41 110.460 -7.236 5.771 1.00 0.00 H new ATOM 592 N SER A 42 111.291 -5.147 3.670 1.00 0.00 N ATOM 593 CA SER A 42 112.324 -4.310 3.065 1.00 0.00 C ATOM 594 C SER A 42 112.360 -2.933 3.717 1.00 0.00 C ATOM 595 O SER A 42 111.321 -2.327 3.973 1.00 0.00 O ATOM 596 CB SER A 42 112.059 -4.162 1.565 1.00 0.00 C ATOM 597 OG SER A 42 111.016 -3.220 1.355 1.00 0.00 O ATOM 0 H SER A 42 110.360 -4.730 3.684 1.00 0.00 H new ATOM 0 HA SER A 42 113.289 -4.791 3.221 1.00 0.00 H new ATOM 0 HB2 SER A 42 112.966 -3.835 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 42 111.783 -5.126 1.137 1.00 0.00 H new ATOM 0 HG SER A 42 110.849 -3.125 0.394 1.00 0.00 H new ATOM 603 N PHE A 43 113.569 -2.447 3.978 1.00 0.00 N ATOM 604 CA PHE A 43 113.745 -1.093 4.487 1.00 0.00 C ATOM 605 C PHE A 43 114.300 -0.219 3.372 1.00 0.00 C ATOM 606 O PHE A 43 115.342 -0.532 2.794 1.00 0.00 O ATOM 607 CB PHE A 43 114.713 -1.098 5.672 1.00 0.00 C ATOM 608 CG PHE A 43 114.213 -1.896 6.853 1.00 0.00 C ATOM 609 CD1 PHE A 43 113.443 -1.276 7.843 1.00 0.00 C ATOM 610 CD2 PHE A 43 114.522 -3.258 6.956 1.00 0.00 C ATOM 611 CE1 PHE A 43 112.981 -2.017 8.937 1.00 0.00 C ATOM 612 CE2 PHE A 43 114.059 -4.000 8.049 1.00 0.00 C ATOM 613 CZ PHE A 43 113.288 -3.379 9.040 1.00 0.00 C ATOM 0 H PHE A 43 114.436 -2.967 3.846 1.00 0.00 H new ATOM 0 HA PHE A 43 112.785 -0.701 4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 43 115.671 -1.505 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 43 114.894 -0.071 5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 43 113.205 -0.226 7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 43 115.117 -3.736 6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 43 112.388 -1.538 9.702 1.00 0.00 H new ATOM 0 HE2 PHE A 43 114.296 -5.051 8.128 1.00 0.00 H new ATOM 0 HZ PHE A 43 112.930 -3.951 9.883 1.00 0.00 H new ATOM 623 N THR A 44 113.608 0.875 3.067 1.00 0.00 N ATOM 624 CA THR A 44 114.008 1.728 1.951 1.00 0.00 C ATOM 625 C THR A 44 114.456 3.088 2.460 1.00 0.00 C ATOM 626 O THR A 44 113.793 3.689 3.306 1.00 0.00 O ATOM 627 CB THR A 44 112.834 1.916 0.982 1.00 0.00 C ATOM 628 OG1 THR A 44 111.804 2.647 1.634 1.00 0.00 O ATOM 629 CG2 THR A 44 112.283 0.559 0.527 1.00 0.00 C ATOM 0 H THR A 44 112.778 1.190 3.569 1.00 0.00 H new ATOM 0 HA THR A 44 114.836 1.246 1.431 1.00 0.00 H new ATOM 0 HB THR A 44 113.186 2.460 0.106 1.00 0.00 H new ATOM 0 HG1 THR A 44 111.051 2.772 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.451 0.716 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.069 -0.002 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 44 111.936 -0.002 1.395 1.00 0.00 H new ATOM 637 N TYR A 45 115.579 3.562 1.932 1.00 0.00 N ATOM 638 CA TYR A 45 116.079 4.891 2.264 1.00 0.00 C ATOM 639 C TYR A 45 116.348 5.660 0.980 1.00 0.00 C ATOM 640 O TYR A 45 117.139 5.216 0.149 1.00 0.00 O ATOM 641 CB TYR A 45 117.373 4.772 3.071 1.00 0.00 C ATOM 642 CG TYR A 45 117.975 6.106 3.443 1.00 0.00 C ATOM 643 CD1 TYR A 45 117.482 6.809 4.547 1.00 0.00 C ATOM 644 CD2 TYR A 45 119.026 6.636 2.686 1.00 0.00 C ATOM 645 CE1 TYR A 45 118.041 8.045 4.895 1.00 0.00 C ATOM 646 CE2 TYR A 45 119.585 7.872 3.034 1.00 0.00 C ATOM 647 CZ TYR A 45 119.092 8.576 4.139 1.00 0.00 C ATOM 648 OH TYR A 45 119.643 9.795 4.483 1.00 0.00 O ATOM 0 H TYR A 45 116.161 3.046 1.272 1.00 0.00 H new ATOM 0 HA TYR A 45 115.335 5.420 2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 45 117.174 4.206 3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 45 118.101 4.202 2.494 1.00 0.00 H new ATOM 0 HD1 TYR A 45 116.671 6.399 5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 45 119.406 6.092 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 45 117.661 8.589 5.747 1.00 0.00 H new ATOM 0 HE2 TYR A 45 120.396 8.282 2.450 1.00 0.00 H new ATOM 0 HH TYR A 45 120.341 10.032 3.837 1.00 0.00 H new ATOM 658 N THR A 46 115.683 6.801 0.816 1.00 0.00 N ATOM 659 CA THR A 46 115.848 7.602 -0.398 1.00 0.00 C ATOM 660 C THR A 46 116.163 9.048 -0.039 1.00 0.00 C ATOM 661 O THR A 46 115.790 9.529 1.034 1.00 0.00 O ATOM 662 CB THR A 46 114.579 7.572 -1.267 1.00 0.00 C ATOM 663 OG1 THR A 46 113.581 8.379 -0.664 1.00 0.00 O ATOM 664 CG2 THR A 46 114.030 6.147 -1.447 1.00 0.00 C ATOM 0 H THR A 46 115.032 7.190 1.498 1.00 0.00 H new ATOM 0 HA THR A 46 116.674 7.169 -0.963 1.00 0.00 H new ATOM 0 HB THR A 46 114.845 7.954 -2.253 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.771 8.364 -1.215 1.00 0.00 H new ATOM 0 HG21 THR A 46 113.134 6.178 -2.067 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.784 5.525 -1.929 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.782 5.727 -0.472 1.00 0.00 H new ATOM 672 N GLU A 47 116.834 9.734 -0.959 1.00 0.00 N ATOM 673 CA GLU A 47 117.180 11.138 -0.773 1.00 0.00 C ATOM 674 C GLU A 47 116.783 11.939 -2.007 1.00 0.00 C ATOM 675 O GLU A 47 116.679 11.388 -3.105 1.00 0.00 O ATOM 676 CB GLU A 47 118.684 11.283 -0.529 1.00 0.00 C ATOM 677 CG GLU A 47 119.069 10.541 0.756 1.00 0.00 C ATOM 678 CD GLU A 47 120.553 10.728 1.096 1.00 0.00 C ATOM 679 OE1 GLU A 47 121.297 11.236 0.269 1.00 0.00 O ATOM 680 OE2 GLU A 47 120.927 10.353 2.195 1.00 0.00 O ATOM 0 H GLU A 47 117.150 9.338 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 47 116.640 11.520 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 47 119.241 10.880 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 47 118.950 12.337 -0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.458 10.903 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 47 118.853 9.479 0.642 1.00 0.00 H new ATOM 687 N LYS A 48 116.556 13.234 -1.808 1.00 0.00 N ATOM 688 CA LYS A 48 116.181 14.122 -2.901 1.00 0.00 C ATOM 689 C LYS A 48 117.382 14.948 -3.351 1.00 0.00 C ATOM 690 O LYS A 48 118.152 15.438 -2.524 1.00 0.00 O ATOM 691 CB LYS A 48 115.059 15.056 -2.443 1.00 0.00 C ATOM 692 CG LYS A 48 114.548 15.875 -3.630 1.00 0.00 C ATOM 693 CD LYS A 48 113.488 16.866 -3.144 1.00 0.00 C ATOM 694 CE LYS A 48 112.862 17.578 -4.344 1.00 0.00 C ATOM 695 NZ LYS A 48 112.137 18.794 -3.876 1.00 0.00 N ATOM 0 H LYS A 48 116.626 13.691 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 48 115.835 13.519 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 48 114.243 14.475 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.424 15.721 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 48 115.374 16.410 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 48 114.125 15.214 -4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 48 112.718 16.342 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 48 113.939 17.595 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 48 113.635 17.855 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 48 112.175 16.908 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 111.711 19.279 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 111.389 18.517 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 112.805 19.435 -3.402 1.00 0.00 H new ATOM 709 N SER A 49 117.539 15.100 -4.662 1.00 0.00 N ATOM 710 CA SER A 49 118.652 15.873 -5.200 1.00 0.00 C ATOM 711 C SER A 49 118.223 17.315 -5.456 1.00 0.00 C ATOM 712 O SER A 49 117.112 17.569 -5.920 1.00 0.00 O ATOM 713 CB SER A 49 119.144 15.245 -6.504 1.00 0.00 C ATOM 714 OG SER A 49 120.270 15.972 -6.977 1.00 0.00 O ATOM 0 H SER A 49 116.916 14.702 -5.365 1.00 0.00 H new ATOM 0 HA SER A 49 119.461 15.869 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 49 119.412 14.201 -6.340 1.00 0.00 H new ATOM 0 HB3 SER A 49 118.349 15.257 -7.250 1.00 0.00 H new ATOM 0 HG SER A 49 120.590 15.572 -7.812 1.00 0.00 H new ATOM 720 N ARG A 50 119.112 18.255 -5.146 1.00 0.00 N ATOM 721 CA ARG A 50 118.802 19.672 -5.303 1.00 0.00 C ATOM 722 C ARG A 50 120.005 20.441 -5.849 1.00 0.00 C ATOM 723 O ARG A 50 121.148 20.006 -5.711 1.00 0.00 O ATOM 724 CB ARG A 50 118.350 20.254 -3.957 1.00 0.00 C ATOM 725 CG ARG A 50 119.493 20.199 -2.937 1.00 0.00 C ATOM 726 CD ARG A 50 118.965 20.591 -1.556 1.00 0.00 C ATOM 727 NE ARG A 50 120.070 20.666 -0.595 1.00 0.00 N ATOM 728 CZ ARG A 50 120.750 19.593 -0.162 1.00 0.00 C ATOM 729 NH1 ARG A 50 120.470 18.377 -0.567 1.00 0.00 N ATOM 730 NH2 ARG A 50 121.722 19.765 0.691 1.00 0.00 N ATOM 0 H ARG A 50 120.047 18.062 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 50 117.991 19.774 -6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 50 118.024 21.285 -4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 50 117.493 19.695 -3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 50 119.917 19.195 -2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 50 120.295 20.874 -3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 50 118.456 21.553 -1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 50 118.229 19.861 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 50 120.336 21.583 -0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 50 119.713 18.223 -1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 50 121.009 17.586 -0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 50 121.954 20.703 1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 50 122.250 18.961 1.031 1.00 0.00 H new ATOM 744 N THR A 51 119.735 21.588 -6.467 1.00 0.00 N ATOM 745 CA THR A 51 120.795 22.432 -7.010 1.00 0.00 C ATOM 746 C THR A 51 120.919 23.713 -6.191 1.00 0.00 C ATOM 747 O THR A 51 119.918 24.283 -5.759 1.00 0.00 O ATOM 748 CB THR A 51 120.486 22.784 -8.467 1.00 0.00 C ATOM 749 OG1 THR A 51 120.266 21.590 -9.203 1.00 0.00 O ATOM 750 CG2 THR A 51 121.666 23.548 -9.072 1.00 0.00 C ATOM 0 H THR A 51 118.793 21.954 -6.604 1.00 0.00 H new ATOM 0 HA THR A 51 121.737 21.885 -6.962 1.00 0.00 H new ATOM 0 HB THR A 51 119.593 23.408 -8.509 1.00 0.00 H new ATOM 0 HG1 THR A 51 120.066 21.813 -10.136 1.00 0.00 H new ATOM 0 HG21 THR A 51 121.444 23.798 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 51 121.835 24.464 -8.506 1.00 0.00 H new ATOM 0 HG23 THR A 51 122.561 22.927 -9.032 1.00 0.00 H new ATOM 758 N ALA A 52 122.153 24.160 -5.980 1.00 0.00 N ATOM 759 CA ALA A 52 122.393 25.356 -5.180 1.00 0.00 C ATOM 760 C ALA A 52 122.552 26.583 -6.072 1.00 0.00 C ATOM 761 O ALA A 52 123.187 26.523 -7.124 1.00 0.00 O ATOM 762 CB ALA A 52 123.654 25.172 -4.334 1.00 0.00 C ATOM 0 H ALA A 52 122.995 23.717 -6.348 1.00 0.00 H new ATOM 0 HA ALA A 52 121.533 25.509 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 52 123.827 26.069 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 52 123.526 24.316 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 52 124.509 25.000 -4.988 1.00 0.00 H new ATOM 768 N SER A 53 121.966 27.696 -5.640 1.00 0.00 N ATOM 769 CA SER A 53 122.058 28.943 -6.390 1.00 0.00 C ATOM 770 C SER A 53 121.526 30.101 -5.553 1.00 0.00 C ATOM 771 O SER A 53 122.237 31.072 -5.292 1.00 0.00 O ATOM 772 CB SER A 53 121.253 28.834 -7.686 1.00 0.00 C ATOM 773 OG SER A 53 121.129 30.125 -8.268 1.00 0.00 O ATOM 0 H SER A 53 121.425 27.759 -4.778 1.00 0.00 H new ATOM 0 HA SER A 53 123.105 29.129 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 53 121.748 28.155 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 53 120.267 28.418 -7.482 1.00 0.00 H new ATOM 0 HG SER A 53 120.615 30.061 -9.100 1.00 0.00 H new ATOM 779 N SER A 54 120.269 29.990 -5.136 1.00 0.00 N ATOM 780 CA SER A 54 119.654 31.013 -4.293 1.00 0.00 C ATOM 781 C SER A 54 120.362 31.146 -2.942 1.00 0.00 C ATOM 782 O SER A 54 120.343 32.216 -2.333 1.00 0.00 O ATOM 783 CB SER A 54 118.181 30.672 -4.059 1.00 0.00 C ATOM 784 OG SER A 54 118.095 29.504 -3.255 1.00 0.00 O ATOM 0 H SER A 54 119.658 29.207 -5.366 1.00 0.00 H new ATOM 0 HA SER A 54 119.745 31.965 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 54 117.676 31.504 -3.568 1.00 0.00 H new ATOM 0 HB3 SER A 54 117.677 30.510 -5.012 1.00 0.00 H new ATOM 0 HG SER A 54 117.153 29.282 -3.100 1.00 0.00 H new ATOM 790 N GLY A 55 120.985 30.066 -2.471 1.00 0.00 N ATOM 791 CA GLY A 55 121.656 30.078 -1.171 1.00 0.00 C ATOM 792 C GLY A 55 120.855 29.372 -0.068 1.00 0.00 C ATOM 793 O GLY A 55 121.361 29.195 1.039 1.00 0.00 O ATOM 0 H GLY A 55 121.039 29.176 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 55 122.629 29.597 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 55 121.839 31.111 -0.874 1.00 0.00 H new ATOM 797 N ASP A 56 119.616 28.968 -0.356 1.00 0.00 N ATOM 798 CA ASP A 56 118.813 28.236 0.616 1.00 0.00 C ATOM 799 C ASP A 56 119.099 26.742 0.513 1.00 0.00 C ATOM 800 O ASP A 56 118.862 26.127 -0.527 1.00 0.00 O ATOM 801 CB ASP A 56 117.325 28.493 0.367 1.00 0.00 C ATOM 802 CG ASP A 56 116.491 27.833 1.459 1.00 0.00 C ATOM 803 OD1 ASP A 56 116.329 28.443 2.503 1.00 0.00 O ATOM 804 OD2 ASP A 56 116.027 26.727 1.235 1.00 0.00 O ATOM 0 H ASP A 56 119.153 29.136 -1.249 1.00 0.00 H new ATOM 0 HA ASP A 56 119.074 28.582 1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 56 117.131 29.565 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 56 117.038 28.100 -0.608 1.00 0.00 H new ATOM 809 N TYR A 57 119.609 26.160 1.595 1.00 0.00 N ATOM 810 CA TYR A 57 119.962 24.742 1.602 1.00 0.00 C ATOM 811 C TYR A 57 119.056 23.964 2.551 1.00 0.00 C ATOM 812 O TYR A 57 118.800 24.394 3.676 1.00 0.00 O ATOM 813 CB TYR A 57 121.417 24.574 2.040 1.00 0.00 C ATOM 814 CG TYR A 57 122.402 25.283 1.140 1.00 0.00 C ATOM 815 CD1 TYR A 57 122.766 26.607 1.408 1.00 0.00 C ATOM 816 CD2 TYR A 57 122.949 24.615 0.038 1.00 0.00 C ATOM 817 CE1 TYR A 57 123.680 27.264 0.574 1.00 0.00 C ATOM 818 CE2 TYR A 57 123.862 25.272 -0.796 1.00 0.00 C ATOM 819 CZ TYR A 57 124.227 26.596 -0.528 1.00 0.00 C ATOM 820 OH TYR A 57 125.127 27.244 -1.349 1.00 0.00 O ATOM 0 H TYR A 57 119.787 26.645 2.475 1.00 0.00 H new ATOM 0 HA TYR A 57 119.832 24.351 0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.528 24.952 3.056 1.00 0.00 H new ATOM 0 HB3 TYR A 57 121.660 23.512 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 57 122.343 27.122 2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 57 122.667 23.593 -0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.963 28.286 0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 57 124.284 24.757 -1.646 1.00 0.00 H new ATOM 0 HH TYR A 57 125.411 26.639 -2.066 1.00 0.00 H new ATOM 830 N ASN A 58 118.575 22.816 2.086 1.00 0.00 N ATOM 831 CA ASN A 58 117.727 21.962 2.909 1.00 0.00 C ATOM 832 C ASN A 58 118.030 20.491 2.640 1.00 0.00 C ATOM 833 O ASN A 58 118.625 20.148 1.618 1.00 0.00 O ATOM 834 CB ASN A 58 116.252 22.256 2.619 1.00 0.00 C ATOM 835 CG ASN A 58 115.911 21.933 1.165 1.00 0.00 C ATOM 836 OD1 ASN A 58 116.801 21.843 0.319 1.00 0.00 O ATOM 837 ND2 ASN A 58 114.665 21.751 0.823 1.00 0.00 N ATOM 0 H ASN A 58 118.757 22.457 1.149 1.00 0.00 H new ATOM 0 HA ASN A 58 117.933 22.172 3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 58 115.621 21.667 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 58 116.039 23.305 2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 58 114.428 21.534 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 58 113.928 21.826 1.524 1.00 0.00 H new ATOM 844 N LYS A 59 117.618 19.624 3.561 1.00 0.00 N ATOM 845 CA LYS A 59 117.830 18.188 3.398 1.00 0.00 C ATOM 846 C LYS A 59 116.534 17.426 3.660 1.00 0.00 C ATOM 847 O LYS A 59 115.917 17.575 4.714 1.00 0.00 O ATOM 848 CB LYS A 59 118.914 17.711 4.368 1.00 0.00 C ATOM 849 CG LYS A 59 119.255 16.250 4.074 1.00 0.00 C ATOM 850 CD LYS A 59 120.283 15.750 5.090 1.00 0.00 C ATOM 851 CE LYS A 59 120.758 14.352 4.691 1.00 0.00 C ATOM 852 NZ LYS A 59 121.840 14.467 3.671 1.00 0.00 N ATOM 0 H LYS A 59 117.139 19.888 4.422 1.00 0.00 H new ATOM 0 HA LYS A 59 118.150 17.996 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 59 119.805 18.331 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 59 118.568 17.815 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 59 118.354 15.639 4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 59 119.651 16.155 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 59 121.130 16.435 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 59 119.842 15.725 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 59 121.125 13.817 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 59 119.925 13.774 4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 122.163 13.517 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 121.475 14.962 2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 122.637 15.003 4.069 1.00 0.00 H new ATOM 866 N ASN A 60 116.129 16.610 2.692 1.00 0.00 N ATOM 867 CA ASN A 60 114.906 15.821 2.816 1.00 0.00 C ATOM 868 C ASN A 60 115.234 14.333 2.863 1.00 0.00 C ATOM 869 O ASN A 60 116.001 13.833 2.041 1.00 0.00 O ATOM 870 CB ASN A 60 113.984 16.102 1.628 1.00 0.00 C ATOM 871 CG ASN A 60 112.594 15.532 1.897 1.00 0.00 C ATOM 872 OD1 ASN A 60 112.198 15.372 3.052 1.00 0.00 O ATOM 873 ND2 ASN A 60 111.824 15.215 0.892 1.00 0.00 N ATOM 0 H ASN A 60 116.629 16.477 1.813 1.00 0.00 H new ATOM 0 HA ASN A 60 114.405 16.102 3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 60 113.918 17.176 1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 60 114.399 15.658 0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 60 110.893 14.834 1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 60 112.153 15.348 -0.064 1.00 0.00 H new ATOM 880 N GLN A 61 114.650 13.627 3.830 1.00 0.00 N ATOM 881 CA GLN A 61 114.884 12.193 3.968 1.00 0.00 C ATOM 882 C GLN A 61 113.557 11.445 3.946 1.00 0.00 C ATOM 883 O GLN A 61 112.557 11.943 4.462 1.00 0.00 O ATOM 884 CB GLN A 61 115.603 11.905 5.287 1.00 0.00 C ATOM 885 CG GLN A 61 116.998 12.534 5.264 1.00 0.00 C ATOM 886 CD GLN A 61 117.689 12.341 6.613 1.00 0.00 C ATOM 887 OE1 GLN A 61 117.030 12.117 7.629 1.00 0.00 O ATOM 888 NE2 GLN A 61 118.990 12.407 6.681 1.00 0.00 N ATOM 0 H GLN A 61 114.016 14.022 4.524 1.00 0.00 H new ATOM 0 HA GLN A 61 115.504 11.858 3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 61 115.027 12.306 6.121 1.00 0.00 H new ATOM 0 HB3 GLN A 61 115.682 10.829 5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 61 117.596 12.081 4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 61 116.921 13.597 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 61 119.536 12.592 5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 61 119.461 12.273 7.576 1.00 0.00 H new ATOM 897 N TYR A 62 113.552 10.259 3.342 1.00 0.00 N ATOM 898 CA TYR A 62 112.351 9.430 3.315 1.00 0.00 C ATOM 899 C TYR A 62 112.682 7.995 3.712 1.00 0.00 C ATOM 900 O TYR A 62 113.583 7.381 3.141 1.00 0.00 O ATOM 901 CB TYR A 62 111.752 9.457 1.909 1.00 0.00 C ATOM 902 CG TYR A 62 110.459 8.689 1.775 1.00 0.00 C ATOM 903 CD1 TYR A 62 109.242 9.304 2.087 1.00 0.00 C ATOM 904 CD2 TYR A 62 110.478 7.363 1.323 1.00 0.00 C ATOM 905 CE1 TYR A 62 108.043 8.595 1.951 1.00 0.00 C ATOM 906 CE2 TYR A 62 109.280 6.653 1.188 1.00 0.00 C ATOM 907 CZ TYR A 62 108.062 7.269 1.501 1.00 0.00 C ATOM 908 OH TYR A 62 106.880 6.570 1.366 1.00 0.00 O ATOM 0 H TYR A 62 114.359 9.853 2.868 1.00 0.00 H new ATOM 0 HA TYR A 62 111.629 9.826 4.029 1.00 0.00 H new ATOM 0 HB2 TYR A 62 111.578 10.493 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 62 112.479 9.048 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 62 109.228 10.327 2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 62 111.417 6.889 1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 62 107.104 9.070 2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 62 109.295 5.630 0.842 1.00 0.00 H new ATOM 0 HH TYR A 62 107.070 5.665 1.042 1.00 0.00 H new ATOM 918 N TYR A 63 111.945 7.472 4.687 1.00 0.00 N ATOM 919 CA TYR A 63 112.143 6.100 5.150 1.00 0.00 C ATOM 920 C TYR A 63 110.841 5.329 4.986 1.00 0.00 C ATOM 921 O TYR A 63 109.782 5.867 5.294 1.00 0.00 O ATOM 922 CB TYR A 63 112.532 6.097 6.630 1.00 0.00 C ATOM 923 CG TYR A 63 113.661 7.039 6.975 1.00 0.00 C ATOM 924 CD1 TYR A 63 114.988 6.597 6.923 1.00 0.00 C ATOM 925 CD2 TYR A 63 113.377 8.356 7.355 1.00 0.00 C ATOM 926 CE1 TYR A 63 116.030 7.471 7.254 1.00 0.00 C ATOM 927 CE2 TYR A 63 114.420 9.231 7.683 1.00 0.00 C ATOM 928 CZ TYR A 63 115.746 8.789 7.633 1.00 0.00 C ATOM 929 OH TYR A 63 116.774 9.649 7.957 1.00 0.00 O ATOM 0 H TYR A 63 111.204 7.977 5.173 1.00 0.00 H new ATOM 0 HA TYR A 63 112.937 5.636 4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 63 111.658 6.362 7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 63 112.817 5.085 6.917 1.00 0.00 H new ATOM 0 HD1 TYR A 63 115.208 5.582 6.628 1.00 0.00 H new ATOM 0 HD2 TYR A 63 112.353 8.697 7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 63 117.054 7.129 7.217 1.00 0.00 H new ATOM 0 HE2 TYR A 63 114.200 10.247 7.975 1.00 0.00 H new ATOM 0 HH TYR A 63 116.497 10.572 7.778 1.00 0.00 H new ATOM 939 N GLY A 64 110.906 4.085 4.511 1.00 0.00 N ATOM 940 CA GLY A 64 109.688 3.297 4.311 1.00 0.00 C ATOM 941 C GLY A 64 109.858 1.862 4.795 1.00 0.00 C ATOM 942 O GLY A 64 110.877 1.229 4.527 1.00 0.00 O ATOM 0 H GLY A 64 111.772 3.607 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 64 108.860 3.765 4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 64 109.425 3.295 3.253 1.00 0.00 H new ATOM 946 N ILE A 65 108.854 1.359 5.517 1.00 0.00 N ATOM 947 CA ILE A 65 108.865 -0.024 5.992 1.00 0.00 C ATOM 948 C ILE A 65 107.713 -0.789 5.352 1.00 0.00 C ATOM 949 O ILE A 65 106.591 -0.290 5.303 1.00 0.00 O ATOM 950 CB ILE A 65 108.751 -0.107 7.522 1.00 0.00 C ATOM 951 CG1 ILE A 65 107.596 0.779 8.051 1.00 0.00 C ATOM 952 CG2 ILE A 65 110.100 0.234 8.171 1.00 0.00 C ATOM 953 CD1 ILE A 65 107.947 2.274 8.175 1.00 0.00 C ATOM 0 H ILE A 65 108.025 1.889 5.785 1.00 0.00 H new ATOM 0 HA ILE A 65 109.819 -0.468 5.706 1.00 0.00 H new ATOM 0 HB ILE A 65 108.501 -1.131 7.801 1.00 0.00 H new ATOM 0 HG12 ILE A 65 106.739 0.673 7.386 1.00 0.00 H new ATOM 0 HG13 ILE A 65 107.288 0.408 9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 65 110.008 0.172 9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 65 110.857 -0.473 7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 65 110.394 1.245 7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 65 107.083 2.821 8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 65 108.782 2.396 8.865 1.00 0.00 H new ATOM 0 HD13 ILE A 65 108.225 2.665 7.196 1.00 0.00 H new ATOM 965 N THR A 66 107.992 -1.988 4.847 1.00 0.00 N ATOM 966 CA THR A 66 106.952 -2.799 4.217 1.00 0.00 C ATOM 967 C THR A 66 107.099 -4.277 4.579 1.00 0.00 C ATOM 968 O THR A 66 108.171 -4.728 4.981 1.00 0.00 O ATOM 969 CB THR A 66 106.993 -2.609 2.695 1.00 0.00 C ATOM 970 OG1 THR A 66 105.898 -3.295 2.107 1.00 0.00 O ATOM 971 CG2 THR A 66 108.307 -3.142 2.118 1.00 0.00 C ATOM 0 H THR A 66 108.918 -2.416 4.861 1.00 0.00 H new ATOM 0 HA THR A 66 105.985 -2.465 4.593 1.00 0.00 H new ATOM 0 HB THR A 66 106.926 -1.544 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 66 105.232 -3.499 2.796 1.00 0.00 H new ATOM 0 HG21 THR A 66 108.315 -2.997 1.038 1.00 0.00 H new ATOM 0 HG22 THR A 66 109.144 -2.604 2.562 1.00 0.00 H new ATOM 0 HG23 THR A 66 108.398 -4.205 2.342 1.00 0.00 H new ATOM 979 N ALA A 67 106.006 -5.020 4.431 1.00 0.00 N ATOM 980 CA ALA A 67 106.018 -6.455 4.685 1.00 0.00 C ATOM 981 C ALA A 67 104.896 -7.120 3.897 1.00 0.00 C ATOM 982 O ALA A 67 103.893 -6.466 3.601 1.00 0.00 O ATOM 983 CB ALA A 67 105.834 -6.728 6.180 1.00 0.00 C ATOM 0 H ALA A 67 105.102 -4.651 4.137 1.00 0.00 H new ATOM 0 HA ALA A 67 106.977 -6.865 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 67 105.845 -7.803 6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 67 106.645 -6.260 6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 67 104.881 -6.315 6.511 1.00 0.00 H new ATOM 989 N GLY A 68 105.080 -8.386 3.507 1.00 0.00 N ATOM 990 CA GLY A 68 104.003 -9.090 2.812 1.00 0.00 C ATOM 991 C GLY A 68 104.233 -10.602 2.659 1.00 0.00 C ATOM 992 O GLY A 68 105.378 -11.057 2.707 1.00 0.00 O ATOM 0 H GLY A 68 105.933 -8.926 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 68 103.071 -8.929 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 68 103.877 -8.651 1.822 1.00 0.00 H new ATOM 996 N PRO A 69 103.178 -11.386 2.489 1.00 0.00 N ATOM 997 CA PRO A 69 103.296 -12.863 2.263 1.00 0.00 C ATOM 998 C PRO A 69 103.758 -13.225 0.848 1.00 0.00 C ATOM 999 O PRO A 69 103.687 -12.396 -0.066 1.00 0.00 O ATOM 1000 CB PRO A 69 101.886 -13.395 2.517 1.00 0.00 C ATOM 1001 CG PRO A 69 100.982 -12.270 2.155 1.00 0.00 C ATOM 1002 CD PRO A 69 101.749 -10.986 2.467 1.00 0.00 C ATOM 0 HA PRO A 69 104.052 -13.296 2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.681 -14.277 1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 69 101.756 -13.687 3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.710 -12.314 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 69 100.055 -12.317 2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.565 -10.223 1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 69 101.442 -10.566 3.425 1.00 0.00 H new ATOM 1010 N ALA A 70 104.213 -14.470 0.671 1.00 0.00 N ATOM 1011 CA ALA A 70 104.647 -14.945 -0.643 1.00 0.00 C ATOM 1012 C ALA A 70 103.953 -16.263 -0.983 1.00 0.00 C ATOM 1013 O ALA A 70 103.539 -17.001 -0.088 1.00 0.00 O ATOM 1014 CB ALA A 70 106.167 -15.136 -0.657 1.00 0.00 C ATOM 0 H ALA A 70 104.289 -15.161 1.417 1.00 0.00 H new ATOM 0 HA ALA A 70 104.376 -14.201 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 70 106.480 -15.490 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 70 106.655 -14.186 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 70 106.449 -15.869 0.099 1.00 0.00 H new ATOM 1020 N TYR A 71 103.826 -16.558 -2.277 1.00 0.00 N ATOM 1021 CA TYR A 71 103.118 -17.754 -2.722 1.00 0.00 C ATOM 1022 C TYR A 71 104.039 -18.627 -3.563 1.00 0.00 C ATOM 1023 O TYR A 71 104.689 -18.137 -4.487 1.00 0.00 O ATOM 1024 CB TYR A 71 101.893 -17.358 -3.549 1.00 0.00 C ATOM 1025 CG TYR A 71 100.892 -16.531 -2.777 1.00 0.00 C ATOM 1026 CD1 TYR A 71 99.978 -17.159 -1.921 1.00 0.00 C ATOM 1027 CD2 TYR A 71 100.876 -15.139 -2.916 1.00 0.00 C ATOM 1028 CE1 TYR A 71 99.051 -16.394 -1.204 1.00 0.00 C ATOM 1029 CE2 TYR A 71 99.949 -14.373 -2.199 1.00 0.00 C ATOM 1030 CZ TYR A 71 99.036 -15.001 -1.344 1.00 0.00 C ATOM 1031 OH TYR A 71 98.121 -14.247 -0.637 1.00 0.00 O ATOM 0 H TYR A 71 104.204 -15.986 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 71 102.796 -18.316 -1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 71 102.220 -16.796 -4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 71 101.403 -18.260 -3.915 1.00 0.00 H new ATOM 0 HD1 TYR A 71 99.989 -18.234 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 71 101.579 -14.655 -3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 71 98.347 -16.878 -0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 71 99.938 -13.298 -2.306 1.00 0.00 H new ATOM 0 HH TYR A 71 98.246 -13.298 -0.848 1.00 0.00 H new ATOM 1041 N ARG A 72 104.098 -19.913 -3.232 1.00 0.00 N ATOM 1042 CA ARG A 72 104.945 -20.851 -3.962 1.00 0.00 C ATOM 1043 C ARG A 72 104.096 -21.823 -4.774 1.00 0.00 C ATOM 1044 O ARG A 72 103.144 -22.414 -4.265 1.00 0.00 O ATOM 1045 CB ARG A 72 105.817 -21.632 -2.977 1.00 0.00 C ATOM 1046 CG ARG A 72 106.794 -20.673 -2.291 1.00 0.00 C ATOM 1047 CD ARG A 72 107.740 -21.462 -1.384 1.00 0.00 C ATOM 1048 NE ARG A 72 106.972 -22.226 -0.396 1.00 0.00 N ATOM 1049 CZ ARG A 72 106.275 -21.655 0.600 1.00 0.00 C ATOM 1050 NH1 ARG A 72 106.251 -20.357 0.783 1.00 0.00 N ATOM 1051 NH2 ARG A 72 105.604 -22.418 1.417 1.00 0.00 N ATOM 0 H ARG A 72 103.571 -20.329 -2.465 1.00 0.00 H new ATOM 0 HA ARG A 72 105.579 -20.286 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 72 105.192 -22.125 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 72 106.366 -22.414 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 72 107.366 -20.124 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 72 106.244 -19.936 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 72 108.351 -22.138 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 72 108.423 -20.780 -0.877 1.00 0.00 H new ATOM 0 HE ARG A 72 106.967 -23.243 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 72 106.774 -19.744 0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 72 105.710 -19.960 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 72 105.614 -23.430 1.294 1.00 0.00 H new ATOM 0 HH22 ARG A 72 105.069 -22.002 2.179 1.00 0.00 H new ATOM 1065 N ILE A 73 104.463 -21.984 -6.041 1.00 0.00 N ATOM 1066 CA ILE A 73 103.740 -22.869 -6.951 1.00 0.00 C ATOM 1067 C ILE A 73 104.701 -23.936 -7.471 1.00 0.00 C ATOM 1068 O ILE A 73 105.917 -23.782 -7.362 1.00 0.00 O ATOM 1069 CB ILE A 73 103.163 -22.062 -8.128 1.00 0.00 C ATOM 1070 CG1 ILE A 73 102.331 -20.870 -7.625 1.00 0.00 C ATOM 1071 CG2 ILE A 73 102.276 -22.959 -8.995 1.00 0.00 C ATOM 1072 CD1 ILE A 73 101.181 -21.339 -6.725 1.00 0.00 C ATOM 0 H ILE A 73 105.261 -21.511 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 73 102.915 -23.344 -6.420 1.00 0.00 H new ATOM 0 HB ILE A 73 103.999 -21.686 -8.717 1.00 0.00 H new ATOM 0 HG12 ILE A 73 102.972 -20.183 -7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 73 101.930 -20.318 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.873 -22.379 -9.825 1.00 0.00 H new ATOM 0 HG22 ILE A 73 102.867 -23.788 -9.385 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.456 -23.350 -8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 73 100.610 -20.475 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 73 100.528 -22.007 -7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 73 101.586 -21.869 -5.863 1.00 0.00 H new ATOM 1084 N ASN A 74 104.164 -25.019 -8.036 1.00 0.00 N ATOM 1085 CA ASN A 74 104.995 -26.102 -8.570 1.00 0.00 C ATOM 1086 C ASN A 74 106.133 -25.572 -9.447 1.00 0.00 C ATOM 1087 O ASN A 74 107.218 -26.153 -9.488 1.00 0.00 O ATOM 1088 CB ASN A 74 104.129 -27.058 -9.392 1.00 0.00 C ATOM 1089 CG ASN A 74 103.055 -27.682 -8.508 1.00 0.00 C ATOM 1090 OD1 ASN A 74 101.885 -27.726 -8.889 1.00 0.00 O ATOM 1091 ND2 ASN A 74 103.385 -28.171 -7.344 1.00 0.00 N ATOM 0 H ASN A 74 103.160 -25.170 -8.136 1.00 0.00 H new ATOM 0 HA ASN A 74 105.438 -26.625 -7.722 1.00 0.00 H new ATOM 0 HB2 ASN A 74 103.664 -26.521 -10.218 1.00 0.00 H new ATOM 0 HB3 ASN A 74 104.750 -27.839 -9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 74 102.673 -28.591 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 74 104.355 -28.133 -7.031 1.00 0.00 H new ATOM 1098 N ASP A 75 105.879 -24.467 -10.143 1.00 0.00 N ATOM 1099 CA ASP A 75 106.924 -23.797 -10.907 1.00 0.00 C ATOM 1100 C ASP A 75 107.891 -23.100 -9.953 1.00 0.00 C ATOM 1101 O ASP A 75 107.473 -22.496 -8.965 1.00 0.00 O ATOM 1102 CB ASP A 75 106.307 -22.771 -11.858 1.00 0.00 C ATOM 1103 CG ASP A 75 107.385 -22.184 -12.762 1.00 0.00 C ATOM 1104 OD1 ASP A 75 107.688 -22.802 -13.768 1.00 0.00 O ATOM 1105 OD2 ASP A 75 107.892 -21.122 -12.435 1.00 0.00 O ATOM 0 H ASP A 75 104.964 -24.020 -10.193 1.00 0.00 H new ATOM 0 HA ASP A 75 107.466 -24.540 -11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 75 105.532 -23.243 -12.462 1.00 0.00 H new ATOM 0 HB3 ASP A 75 105.827 -21.976 -11.287 1.00 0.00 H new ATOM 1110 N TRP A 76 109.183 -23.185 -10.254 1.00 0.00 N ATOM 1111 CA TRP A 76 110.208 -22.620 -9.379 1.00 0.00 C ATOM 1112 C TRP A 76 109.919 -21.161 -9.022 1.00 0.00 C ATOM 1113 O TRP A 76 110.250 -20.709 -7.926 1.00 0.00 O ATOM 1114 CB TRP A 76 111.575 -22.715 -10.061 1.00 0.00 C ATOM 1115 CG TRP A 76 111.675 -21.901 -11.312 1.00 0.00 C ATOM 1116 CD1 TRP A 76 112.192 -20.653 -11.388 1.00 0.00 C ATOM 1117 CD2 TRP A 76 111.258 -22.254 -12.663 1.00 0.00 C ATOM 1118 NE1 TRP A 76 112.119 -20.217 -12.697 1.00 0.00 N ATOM 1119 CE2 TRP A 76 111.551 -21.167 -13.523 1.00 0.00 C ATOM 1120 CE3 TRP A 76 110.660 -23.398 -13.222 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 111.260 -21.215 -14.889 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 110.368 -23.450 -14.592 1.00 0.00 C ATOM 1123 CH2 TRP A 76 110.666 -22.362 -15.425 1.00 0.00 C ATOM 0 H TRP A 76 109.545 -23.637 -11.093 1.00 0.00 H new ATOM 0 HA TRP A 76 110.205 -23.196 -8.454 1.00 0.00 H new ATOM 0 HB2 TRP A 76 112.345 -22.388 -9.362 1.00 0.00 H new ATOM 0 HB3 TRP A 76 111.782 -23.758 -10.298 1.00 0.00 H new ATOM 0 HD1 TRP A 76 112.596 -20.089 -10.560 1.00 0.00 H new ATOM 0 HE1 TRP A 76 112.445 -19.304 -13.015 1.00 0.00 H new ATOM 0 HE3 TRP A 76 110.424 -24.242 -12.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 111.492 -20.374 -15.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 109.910 -24.335 -15.009 1.00 0.00 H new ATOM 0 HH2 TRP A 76 110.437 -22.410 -16.479 1.00 0.00 H new ATOM 1134 N ALA A 77 109.304 -20.428 -9.946 1.00 0.00 N ATOM 1135 CA ALA A 77 109.026 -19.014 -9.723 1.00 0.00 C ATOM 1136 C ALA A 77 108.101 -18.815 -8.526 1.00 0.00 C ATOM 1137 O ALA A 77 107.156 -19.577 -8.320 1.00 0.00 O ATOM 1138 CB ALA A 77 108.382 -18.408 -10.972 1.00 0.00 C ATOM 0 H ALA A 77 108.991 -20.786 -10.848 1.00 0.00 H new ATOM 0 HA ALA A 77 109.971 -18.513 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 77 108.177 -17.352 -10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 77 109.061 -18.512 -11.818 1.00 0.00 H new ATOM 0 HB3 ALA A 77 107.449 -18.928 -11.189 1.00 0.00 H new ATOM 1144 N SER A 78 108.387 -17.780 -7.740 1.00 0.00 N ATOM 1145 CA SER A 78 107.562 -17.431 -6.586 1.00 0.00 C ATOM 1146 C SER A 78 107.098 -15.983 -6.709 1.00 0.00 C ATOM 1147 O SER A 78 107.787 -15.162 -7.314 1.00 0.00 O ATOM 1148 CB SER A 78 108.362 -17.606 -5.295 1.00 0.00 C ATOM 1149 OG SER A 78 108.811 -18.952 -5.203 1.00 0.00 O ATOM 0 H SER A 78 109.188 -17.165 -7.882 1.00 0.00 H new ATOM 0 HA SER A 78 106.695 -18.090 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 78 109.213 -16.925 -5.285 1.00 0.00 H new ATOM 0 HB3 SER A 78 107.743 -17.356 -4.433 1.00 0.00 H new ATOM 0 HG SER A 78 109.326 -19.069 -4.378 1.00 0.00 H new ATOM 1155 N ILE A 79 105.935 -15.665 -6.140 1.00 0.00 N ATOM 1156 CA ILE A 79 105.385 -14.315 -6.268 1.00 0.00 C ATOM 1157 C ILE A 79 105.114 -13.755 -4.878 1.00 0.00 C ATOM 1158 O ILE A 79 104.860 -14.521 -3.953 1.00 0.00 O ATOM 1159 CB ILE A 79 104.074 -14.352 -7.066 1.00 0.00 C ATOM 1160 CG1 ILE A 79 104.311 -15.012 -8.429 1.00 0.00 C ATOM 1161 CG2 ILE A 79 103.563 -12.924 -7.281 1.00 0.00 C ATOM 1162 CD1 ILE A 79 102.971 -15.232 -9.134 1.00 0.00 C ATOM 0 H ILE A 79 105.364 -16.311 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 79 106.101 -13.683 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 79 103.335 -14.927 -6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 79 104.956 -14.383 -9.042 1.00 0.00 H new ATOM 0 HG13 ILE A 79 104.825 -15.964 -8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 79 102.632 -12.952 -7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 79 103.385 -12.452 -6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 79 104.307 -12.351 -7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 79 103.142 -15.701 -10.103 1.00 0.00 H new ATOM 0 HD12 ILE A 79 102.341 -15.879 -8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 79 102.474 -14.273 -9.278 1.00 0.00 H new ATOM 1174 N TYR A 80 105.176 -12.434 -4.730 1.00 0.00 N ATOM 1175 CA TYR A 80 104.842 -11.824 -3.447 1.00 0.00 C ATOM 1176 C TYR A 80 104.225 -10.444 -3.632 1.00 0.00 C ATOM 1177 O TYR A 80 104.423 -9.799 -4.660 1.00 0.00 O ATOM 1178 CB TYR A 80 106.096 -11.739 -2.571 1.00 0.00 C ATOM 1179 CG TYR A 80 107.125 -10.741 -3.050 1.00 0.00 C ATOM 1180 CD1 TYR A 80 107.073 -9.416 -2.602 1.00 0.00 C ATOM 1181 CD2 TYR A 80 108.132 -11.142 -3.935 1.00 0.00 C ATOM 1182 CE1 TYR A 80 108.030 -8.491 -3.038 1.00 0.00 C ATOM 1183 CE2 TYR A 80 109.088 -10.217 -4.373 1.00 0.00 C ATOM 1184 CZ TYR A 80 109.037 -8.892 -3.924 1.00 0.00 C ATOM 1185 OH TYR A 80 109.980 -7.981 -4.355 1.00 0.00 O ATOM 0 H TYR A 80 105.448 -11.779 -5.463 1.00 0.00 H new ATOM 0 HA TYR A 80 104.101 -12.451 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 80 105.798 -11.477 -1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 80 106.558 -12.725 -2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 80 106.295 -9.107 -1.920 1.00 0.00 H new ATOM 0 HD2 TYR A 80 108.172 -12.165 -4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 80 107.991 -7.469 -2.691 1.00 0.00 H new ATOM 0 HE2 TYR A 80 109.865 -10.526 -5.057 1.00 0.00 H new ATOM 0 HH TYR A 80 109.591 -7.413 -5.053 1.00 0.00 H new ATOM 1195 N GLY A 81 103.498 -9.994 -2.617 1.00 0.00 N ATOM 1196 CA GLY A 81 102.937 -8.647 -2.628 1.00 0.00 C ATOM 1197 C GLY A 81 103.089 -8.024 -1.248 1.00 0.00 C ATOM 1198 O GLY A 81 102.963 -8.724 -0.248 1.00 0.00 O ATOM 0 H GLY A 81 103.283 -10.537 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 81 103.446 -8.035 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 81 101.884 -8.682 -2.909 1.00 0.00 H new ATOM 1202 N VAL A 82 103.312 -6.713 -1.189 1.00 0.00 N ATOM 1203 CA VAL A 82 103.645 -6.070 0.080 1.00 0.00 C ATOM 1204 C VAL A 82 102.950 -4.724 0.229 1.00 0.00 C ATOM 1205 O VAL A 82 102.571 -4.095 -0.759 1.00 0.00 O ATOM 1206 CB VAL A 82 105.160 -5.864 0.179 1.00 0.00 C ATOM 1207 CG1 VAL A 82 105.870 -7.219 0.155 1.00 0.00 C ATOM 1208 CG2 VAL A 82 105.645 -5.019 -1.003 1.00 0.00 C ATOM 0 H VAL A 82 103.269 -6.084 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 82 103.300 -6.725 0.880 1.00 0.00 H new ATOM 0 HB VAL A 82 105.388 -5.350 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 82 106.947 -7.067 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.533 -7.822 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 82 105.637 -7.735 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 82 106.723 -4.875 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 82 105.411 -5.531 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.147 -4.050 -0.986 1.00 0.00 H new ATOM 1218 N VAL A 83 102.807 -4.295 1.479 1.00 0.00 N ATOM 1219 CA VAL A 83 102.288 -2.967 1.783 1.00 0.00 C ATOM 1220 C VAL A 83 103.208 -2.316 2.806 1.00 0.00 C ATOM 1221 O VAL A 83 103.873 -3.027 3.561 1.00 0.00 O ATOM 1222 CB VAL A 83 100.868 -3.057 2.352 1.00 0.00 C ATOM 1223 CG1 VAL A 83 100.313 -1.646 2.557 1.00 0.00 C ATOM 1224 CG2 VAL A 83 99.963 -3.830 1.383 1.00 0.00 C ATOM 0 H VAL A 83 103.045 -4.851 2.301 1.00 0.00 H new ATOM 0 HA VAL A 83 102.251 -2.374 0.869 1.00 0.00 H new ATOM 0 HB VAL A 83 100.896 -3.582 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 83 99.303 -1.708 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 83 100.951 -1.102 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 83 100.290 -1.122 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 83 98.956 -3.889 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 83 99.933 -3.314 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 83 100.357 -4.836 1.242 1.00 0.00 H new ATOM 1234 N GLY A 84 103.261 -0.986 2.829 1.00 0.00 N ATOM 1235 CA GLY A 84 104.128 -0.302 3.785 1.00 0.00 C ATOM 1236 C GLY A 84 103.738 1.157 3.969 1.00 0.00 C ATOM 1237 O GLY A 84 102.826 1.658 3.313 1.00 0.00 O ATOM 0 H GLY A 84 102.728 -0.373 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 84 104.081 -0.813 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 84 105.161 -0.360 3.443 1.00 0.00 H new ATOM 1241 N VAL A 85 104.472 1.835 4.845 1.00 0.00 N ATOM 1242 CA VAL A 85 104.204 3.233 5.150 1.00 0.00 C ATOM 1243 C VAL A 85 105.523 3.994 5.178 1.00 0.00 C ATOM 1244 O VAL A 85 106.545 3.443 5.586 1.00 0.00 O ATOM 1245 CB VAL A 85 103.477 3.344 6.498 1.00 0.00 C ATOM 1246 CG1 VAL A 85 104.349 2.774 7.620 1.00 0.00 C ATOM 1247 CG2 VAL A 85 103.163 4.813 6.795 1.00 0.00 C ATOM 0 H VAL A 85 105.259 1.436 5.357 1.00 0.00 H new ATOM 0 HA VAL A 85 103.561 3.666 4.384 1.00 0.00 H new ATOM 0 HB VAL A 85 102.549 2.774 6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 85 103.821 2.859 8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 85 104.563 1.725 7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 85 105.284 3.332 7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 85 102.647 4.888 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 85 104.092 5.382 6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 85 102.526 5.216 6.007 1.00 0.00 H new ATOM 1257 N GLY A 86 105.508 5.246 4.729 1.00 0.00 N ATOM 1258 CA GLY A 86 106.738 6.027 4.651 1.00 0.00 C ATOM 1259 C GLY A 86 106.563 7.418 5.244 1.00 0.00 C ATOM 1260 O GLY A 86 105.470 7.984 5.213 1.00 0.00 O ATOM 0 H GLY A 86 104.669 5.736 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 86 107.535 5.504 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 86 107.049 6.112 3.610 1.00 0.00 H new ATOM 1264 N TYR A 87 107.660 7.959 5.766 1.00 0.00 N ATOM 1265 CA TYR A 87 107.656 9.287 6.367 1.00 0.00 C ATOM 1266 C TYR A 87 108.698 10.163 5.683 1.00 0.00 C ATOM 1267 O TYR A 87 109.821 9.719 5.443 1.00 0.00 O ATOM 1268 CB TYR A 87 107.985 9.182 7.857 1.00 0.00 C ATOM 1269 CG TYR A 87 107.121 8.189 8.599 1.00 0.00 C ATOM 1270 CD1 TYR A 87 105.869 8.577 9.087 1.00 0.00 C ATOM 1271 CD2 TYR A 87 107.576 6.880 8.800 1.00 0.00 C ATOM 1272 CE1 TYR A 87 105.069 7.656 9.775 1.00 0.00 C ATOM 1273 CE2 TYR A 87 106.777 5.959 9.488 1.00 0.00 C ATOM 1274 CZ TYR A 87 105.524 6.347 9.976 1.00 0.00 C ATOM 1275 OH TYR A 87 104.736 5.440 10.654 1.00 0.00 O ATOM 0 H TYR A 87 108.568 7.494 5.784 1.00 0.00 H new ATOM 0 HA TYR A 87 106.668 9.730 6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 87 109.031 8.897 7.970 1.00 0.00 H new ATOM 0 HB3 TYR A 87 107.871 10.164 8.316 1.00 0.00 H new ATOM 0 HD1 TYR A 87 105.519 9.587 8.933 1.00 0.00 H new ATOM 0 HD2 TYR A 87 108.543 6.581 8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 87 104.102 7.955 10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 87 107.128 4.949 9.642 1.00 0.00 H new ATOM 0 HH TYR A 87 105.199 4.578 10.705 1.00 0.00 H new ATOM 1285 N GLY A 88 108.317 11.396 5.363 1.00 0.00 N ATOM 1286 CA GLY A 88 109.236 12.341 4.734 1.00 0.00 C ATOM 1287 C GLY A 88 109.356 13.613 5.565 1.00 0.00 C ATOM 1288 O GLY A 88 108.347 14.177 5.994 1.00 0.00 O ATOM 0 H GLY A 88 107.380 11.764 5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 88 110.218 11.881 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 88 108.883 12.587 3.733 1.00 0.00 H new ATOM 1292 N LYS A 89 110.592 14.056 5.788 1.00 0.00 N ATOM 1293 CA LYS A 89 110.834 15.251 6.590 1.00 0.00 C ATOM 1294 C LYS A 89 111.918 16.111 5.950 1.00 0.00 C ATOM 1295 O LYS A 89 112.923 15.590 5.468 1.00 0.00 O ATOM 1296 CB LYS A 89 111.264 14.852 8.003 1.00 0.00 C ATOM 1297 CG LYS A 89 111.367 16.102 8.880 1.00 0.00 C ATOM 1298 CD LYS A 89 111.880 15.714 10.269 1.00 0.00 C ATOM 1299 CE LYS A 89 111.831 16.932 11.193 1.00 0.00 C ATOM 1300 NZ LYS A 89 110.466 17.054 11.781 1.00 0.00 N ATOM 0 H LYS A 89 111.435 13.609 5.427 1.00 0.00 H new ATOM 0 HA LYS A 89 109.910 15.827 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 89 110.544 14.154 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 89 112.225 14.338 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 89 112.041 16.826 8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 89 110.392 16.582 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 89 111.272 14.908 10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 89 112.901 15.339 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 89 112.572 16.831 11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 89 112.081 17.835 10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 110.431 17.882 12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 109.768 17.169 11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 110.245 16.196 12.326 1.00 0.00 H new ATOM 1314 N PHE A 90 111.702 17.423 5.935 1.00 0.00 N ATOM 1315 CA PHE A 90 112.675 18.344 5.355 1.00 0.00 C ATOM 1316 C PHE A 90 112.818 19.591 6.222 1.00 0.00 C ATOM 1317 O PHE A 90 111.909 19.941 6.976 1.00 0.00 O ATOM 1318 CB PHE A 90 112.235 18.745 3.945 1.00 0.00 C ATOM 1319 CG PHE A 90 110.933 19.512 3.915 1.00 0.00 C ATOM 1320 CD1 PHE A 90 109.715 18.822 3.908 1.00 0.00 C ATOM 1321 CD2 PHE A 90 110.946 20.912 3.895 1.00 0.00 C ATOM 1322 CE1 PHE A 90 108.509 19.532 3.881 1.00 0.00 C ATOM 1323 CE2 PHE A 90 109.738 21.622 3.868 1.00 0.00 C ATOM 1324 CZ PHE A 90 108.521 20.932 3.860 1.00 0.00 C ATOM 0 H PHE A 90 110.868 17.870 6.315 1.00 0.00 H new ATOM 0 HA PHE A 90 113.640 17.841 5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 90 113.016 19.353 3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 90 112.133 17.847 3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 90 109.706 17.742 3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 90 111.886 21.444 3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 90 107.569 19.000 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 90 109.747 22.702 3.853 1.00 0.00 H new ATOM 0 HZ PHE A 90 107.590 21.479 3.838 1.00 0.00 H new ATOM 1334 N GLN A 91 113.964 20.257 6.112 1.00 0.00 N ATOM 1335 CA GLN A 91 114.208 21.472 6.883 1.00 0.00 C ATOM 1336 C GLN A 91 113.998 22.707 6.013 1.00 0.00 C ATOM 1337 O GLN A 91 114.608 22.845 4.953 1.00 0.00 O ATOM 1338 CB GLN A 91 115.640 21.468 7.426 1.00 0.00 C ATOM 1339 CG GLN A 91 115.890 20.211 8.270 1.00 0.00 C ATOM 1340 CD GLN A 91 114.909 20.135 9.439 1.00 0.00 C ATOM 1341 OE1 GLN A 91 114.249 19.030 9.653 1.00 0.00 O flip ATOM 1342 NE2 GLN A 91 114.742 21.108 10.174 1.00 0.00 N flip ATOM 0 H GLN A 91 114.733 19.979 5.502 1.00 0.00 H new ATOM 0 HA GLN A 91 113.504 21.500 7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 91 116.349 21.505 6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 91 115.809 22.359 8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 91 115.788 19.323 7.646 1.00 0.00 H new ATOM 0 HG3 GLN A 91 116.912 20.219 8.648 1.00 0.00 H new ATOM 0 HE21 GLN A 91 115.260 21.970 10.004 1.00 0.00 H new ATOM 0 HE22 GLN A 91 114.086 21.052 10.953 1.00 0.00 H new ATOM 1351 N THR A 92 113.133 23.606 6.471 1.00 0.00 N ATOM 1352 CA THR A 92 112.836 24.822 5.723 1.00 0.00 C ATOM 1353 C THR A 92 112.587 25.994 6.667 1.00 0.00 C ATOM 1354 O THR A 92 112.523 25.821 7.884 1.00 0.00 O ATOM 1355 CB THR A 92 111.616 24.594 4.823 1.00 0.00 C ATOM 1356 OG1 THR A 92 111.375 25.762 4.051 1.00 0.00 O ATOM 1357 CG2 THR A 92 110.383 24.268 5.670 1.00 0.00 C ATOM 0 H THR A 92 112.628 23.516 7.352 1.00 0.00 H new ATOM 0 HA THR A 92 113.698 25.066 5.102 1.00 0.00 H new ATOM 0 HB THR A 92 111.815 23.752 4.160 1.00 0.00 H new ATOM 0 HG1 THR A 92 110.596 25.618 3.474 1.00 0.00 H new ATOM 0 HG21 THR A 92 109.525 24.109 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 92 110.569 23.365 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 92 110.176 25.098 6.346 1.00 0.00 H new ATOM 1365 N THR A 93 112.448 27.188 6.099 1.00 0.00 N ATOM 1366 CA THR A 93 112.128 28.367 6.897 1.00 0.00 C ATOM 1367 C THR A 93 110.632 28.646 6.804 1.00 0.00 C ATOM 1368 O THR A 93 109.995 28.298 5.809 1.00 0.00 O ATOM 1369 CB THR A 93 112.915 29.581 6.394 1.00 0.00 C ATOM 1370 OG1 THR A 93 112.520 29.878 5.062 1.00 0.00 O ATOM 1371 CG2 THR A 93 114.414 29.278 6.433 1.00 0.00 C ATOM 0 H THR A 93 112.551 27.364 5.100 1.00 0.00 H new ATOM 0 HA THR A 93 112.403 28.181 7.935 1.00 0.00 H new ATOM 0 HB THR A 93 112.709 30.439 7.034 1.00 0.00 H new ATOM 0 HG1 THR A 93 113.021 30.656 4.738 1.00 0.00 H new ATOM 0 HG21 THR A 93 114.970 30.144 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 93 114.713 29.053 7.457 1.00 0.00 H new ATOM 0 HG23 THR A 93 114.628 28.420 5.796 1.00 0.00 H new ATOM 1379 N GLU A 94 110.076 29.273 7.836 1.00 0.00 N ATOM 1380 CA GLU A 94 108.627 29.425 7.915 1.00 0.00 C ATOM 1381 C GLU A 94 108.226 30.285 9.110 1.00 0.00 C ATOM 1382 O GLU A 94 108.902 30.298 10.139 1.00 0.00 O ATOM 1383 CB GLU A 94 107.983 28.040 8.027 1.00 0.00 C ATOM 1384 CG GLU A 94 106.459 28.148 7.878 1.00 0.00 C ATOM 1385 CD GLU A 94 105.770 26.789 8.055 1.00 0.00 C ATOM 1386 OE1 GLU A 94 106.446 25.804 8.318 1.00 0.00 O ATOM 1387 OE2 GLU A 94 104.558 26.756 7.926 1.00 0.00 O ATOM 0 H GLU A 94 110.595 29.677 8.616 1.00 0.00 H new ATOM 0 HA GLU A 94 108.278 29.926 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 94 108.385 27.381 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 94 108.230 27.593 8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 94 106.071 28.851 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 94 106.218 28.552 6.895 1.00 0.00 H new ATOM 1394 N TYR A 95 107.116 31.001 8.960 1.00 0.00 N ATOM 1395 CA TYR A 95 106.554 31.782 10.055 1.00 0.00 C ATOM 1396 C TYR A 95 105.764 30.841 10.962 1.00 0.00 C ATOM 1397 O TYR A 95 105.181 29.872 10.474 1.00 0.00 O ATOM 1398 CB TYR A 95 105.636 32.878 9.511 1.00 0.00 C ATOM 1399 CG TYR A 95 106.384 34.076 8.977 1.00 0.00 C ATOM 1400 CD1 TYR A 95 106.917 35.021 9.863 1.00 0.00 C ATOM 1401 CD2 TYR A 95 106.546 34.244 7.597 1.00 0.00 C ATOM 1402 CE1 TYR A 95 107.611 36.132 9.369 1.00 0.00 C ATOM 1403 CE2 TYR A 95 107.240 35.355 7.102 1.00 0.00 C ATOM 1404 CZ TYR A 95 107.773 36.299 7.988 1.00 0.00 C ATOM 1405 OH TYR A 95 108.456 37.394 7.501 1.00 0.00 O ATOM 0 H TYR A 95 106.588 31.056 8.089 1.00 0.00 H new ATOM 0 HA TYR A 95 107.356 32.259 10.617 1.00 0.00 H new ATOM 0 HB2 TYR A 95 105.017 32.462 8.716 1.00 0.00 H new ATOM 0 HB3 TYR A 95 104.962 33.203 10.303 1.00 0.00 H new ATOM 0 HD1 TYR A 95 106.792 34.892 10.928 1.00 0.00 H new ATOM 0 HD2 TYR A 95 106.135 33.516 6.913 1.00 0.00 H new ATOM 0 HE1 TYR A 95 108.021 36.860 10.053 1.00 0.00 H new ATOM 0 HE2 TYR A 95 107.364 35.484 6.037 1.00 0.00 H new ATOM 0 HH TYR A 95 108.478 37.357 6.522 1.00 0.00 H new ATOM 1415 N PRO A 96 105.714 31.090 12.250 1.00 0.00 N ATOM 1416 CA PRO A 96 105.297 30.030 13.217 1.00 0.00 C ATOM 1417 C PRO A 96 103.932 29.438 12.876 1.00 0.00 C ATOM 1418 O PRO A 96 102.976 30.150 12.572 1.00 0.00 O ATOM 1419 CB PRO A 96 105.256 30.745 14.574 1.00 0.00 C ATOM 1420 CG PRO A 96 106.090 31.970 14.413 1.00 0.00 C ATOM 1421 CD PRO A 96 106.015 32.360 12.938 1.00 0.00 C ATOM 0 HA PRO A 96 105.986 29.185 13.202 1.00 0.00 H new ATOM 0 HB2 PRO A 96 104.233 31.002 14.850 1.00 0.00 H new ATOM 0 HB3 PRO A 96 105.649 30.106 15.365 1.00 0.00 H new ATOM 0 HG2 PRO A 96 105.720 32.776 15.046 1.00 0.00 H new ATOM 0 HG3 PRO A 96 107.121 31.779 14.711 1.00 0.00 H new ATOM 0 HD2 PRO A 96 105.239 33.104 12.761 1.00 0.00 H new ATOM 0 HD3 PRO A 96 106.954 32.790 12.590 1.00 0.00 H new ATOM 1429 N THR A 97 103.878 28.112 12.939 1.00 0.00 N ATOM 1430 CA THR A 97 102.697 27.352 12.551 1.00 0.00 C ATOM 1431 C THR A 97 102.147 26.570 13.739 1.00 0.00 C ATOM 1432 O THR A 97 102.870 26.286 14.693 1.00 0.00 O ATOM 1433 CB THR A 97 103.050 26.385 11.419 1.00 0.00 C ATOM 1434 OG1 THR A 97 103.665 27.104 10.360 1.00 0.00 O ATOM 1435 CG2 THR A 97 101.778 25.708 10.904 1.00 0.00 C ATOM 0 H THR A 97 104.654 27.534 13.261 1.00 0.00 H new ATOM 0 HA THR A 97 101.934 28.051 12.208 1.00 0.00 H new ATOM 0 HB THR A 97 103.737 25.625 11.793 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.773 26.515 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 97 102.033 25.020 10.098 1.00 0.00 H new ATOM 0 HG22 THR A 97 101.305 25.156 11.716 1.00 0.00 H new ATOM 0 HG23 THR A 97 101.089 26.465 10.530 1.00 0.00 H new ATOM 1443 N TYR A 98 100.865 26.224 13.675 1.00 0.00 N ATOM 1444 CA TYR A 98 100.249 25.435 14.734 1.00 0.00 C ATOM 1445 C TYR A 98 100.249 23.964 14.335 1.00 0.00 C ATOM 1446 O TYR A 98 100.257 23.634 13.149 1.00 0.00 O ATOM 1447 CB TYR A 98 98.814 25.906 14.974 1.00 0.00 C ATOM 1448 CG TYR A 98 98.717 27.354 15.392 1.00 0.00 C ATOM 1449 CD1 TYR A 98 98.757 27.696 16.749 1.00 0.00 C ATOM 1450 CD2 TYR A 98 98.584 28.355 14.422 1.00 0.00 C ATOM 1451 CE1 TYR A 98 98.667 29.038 17.136 1.00 0.00 C ATOM 1452 CE2 TYR A 98 98.494 29.697 14.809 1.00 0.00 C ATOM 1453 CZ TYR A 98 98.535 30.038 16.166 1.00 0.00 C ATOM 1454 OH TYR A 98 98.446 31.362 16.548 1.00 0.00 O ATOM 0 H TYR A 98 100.239 26.475 12.910 1.00 0.00 H new ATOM 0 HA TYR A 98 100.819 25.563 15.654 1.00 0.00 H new ATOM 0 HB2 TYR A 98 98.235 25.760 14.062 1.00 0.00 H new ATOM 0 HB3 TYR A 98 98.359 25.283 15.744 1.00 0.00 H new ATOM 0 HD1 TYR A 98 98.857 26.924 17.498 1.00 0.00 H new ATOM 0 HD2 TYR A 98 98.551 28.092 13.375 1.00 0.00 H new ATOM 0 HE1 TYR A 98 98.699 29.302 18.183 1.00 0.00 H new ATOM 0 HE2 TYR A 98 98.393 30.469 14.061 1.00 0.00 H new ATOM 0 HH TYR A 98 98.360 31.927 15.752 1.00 0.00 H new ATOM 1464 N LYS A 99 100.240 23.081 15.329 1.00 0.00 N ATOM 1465 CA LYS A 99 100.444 21.660 15.072 1.00 0.00 C ATOM 1466 C LYS A 99 99.235 21.034 14.386 1.00 0.00 C ATOM 1467 O LYS A 99 98.088 21.304 14.740 1.00 0.00 O ATOM 1468 CB LYS A 99 100.721 20.930 16.388 1.00 0.00 C ATOM 1469 CG LYS A 99 101.974 21.517 17.043 1.00 0.00 C ATOM 1470 CD LYS A 99 102.408 20.635 18.216 1.00 0.00 C ATOM 1471 CE LYS A 99 101.338 20.661 19.309 1.00 0.00 C ATOM 1472 NZ LYS A 99 101.115 22.066 19.752 1.00 0.00 N ATOM 0 H LYS A 99 100.095 23.321 16.310 1.00 0.00 H new ATOM 0 HA LYS A 99 101.300 21.561 14.405 1.00 0.00 H new ATOM 0 HB2 LYS A 99 99.867 21.029 17.058 1.00 0.00 H new ATOM 0 HB3 LYS A 99 100.859 19.865 16.203 1.00 0.00 H new ATOM 0 HG2 LYS A 99 102.779 21.587 16.311 1.00 0.00 H new ATOM 0 HG3 LYS A 99 101.772 22.529 17.393 1.00 0.00 H new ATOM 0 HD2 LYS A 99 102.567 19.612 17.874 1.00 0.00 H new ATOM 0 HD3 LYS A 99 103.358 20.988 18.616 1.00 0.00 H new ATOM 0 HE2 LYS A 99 100.408 20.235 18.933 1.00 0.00 H new ATOM 0 HE3 LYS A 99 101.651 20.047 20.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 100.713 22.068 20.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 102.021 22.577 19.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 100.455 22.535 19.099 1.00 0.00 H new ATOM 1486 N HIS A 100 99.518 20.191 13.396 1.00 0.00 N ATOM 1487 CA HIS A 100 98.472 19.498 12.654 1.00 0.00 C ATOM 1488 C HIS A 100 99.084 18.371 11.828 1.00 0.00 C ATOM 1489 O HIS A 100 98.678 17.214 11.939 1.00 0.00 O ATOM 1490 CB HIS A 100 97.744 20.477 11.732 1.00 0.00 C ATOM 1491 CG HIS A 100 96.543 19.877 11.053 1.00 0.00 C ATOM 1492 ND1 HIS A 100 96.614 19.315 9.788 1.00 0.00 N ATOM 1493 CD2 HIS A 100 95.235 19.746 11.449 1.00 0.00 C ATOM 1494 CE1 HIS A 100 95.384 18.874 9.471 1.00 0.00 C ATOM 1495 NE2 HIS A 100 94.504 19.112 10.448 1.00 0.00 N ATOM 0 H HIS A 100 100.466 19.972 13.090 1.00 0.00 H new ATOM 0 HA HIS A 100 97.757 19.079 13.361 1.00 0.00 H new ATOM 0 HB2 HIS A 100 97.429 21.345 12.312 1.00 0.00 H new ATOM 0 HB3 HIS A 100 98.440 20.836 10.973 1.00 0.00 H new ATOM 0 HD2 HIS A 100 94.834 20.083 12.393 1.00 0.00 H new ATOM 0 HE1 HIS A 100 95.137 18.386 8.539 1.00 0.00 H new ATOM 0 HE2 HIS A 100 93.511 18.879 10.458 1.00 0.00 H new ATOM 1503 N ASP A 101 100.063 18.720 10.998 1.00 0.00 N ATOM 1504 CA ASP A 101 100.765 17.730 10.189 1.00 0.00 C ATOM 1505 C ASP A 101 102.192 18.191 9.905 1.00 0.00 C ATOM 1506 O ASP A 101 102.479 18.743 8.841 1.00 0.00 O ATOM 1507 CB ASP A 101 100.018 17.507 8.872 1.00 0.00 C ATOM 1508 CG ASP A 101 100.676 16.380 8.084 1.00 0.00 C ATOM 1509 OD1 ASP A 101 100.363 15.232 8.356 1.00 0.00 O ATOM 1510 OD2 ASP A 101 101.483 16.679 7.221 1.00 0.00 O ATOM 0 H ASP A 101 100.387 19.678 10.869 1.00 0.00 H new ATOM 0 HA ASP A 101 100.804 16.791 10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 101 98.975 17.261 9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 101 100.021 18.424 8.283 1.00 0.00 H new ATOM 1515 N THR A 102 103.083 17.967 10.865 1.00 0.00 N ATOM 1516 CA THR A 102 104.472 18.392 10.725 1.00 0.00 C ATOM 1517 C THR A 102 105.213 17.549 9.689 1.00 0.00 C ATOM 1518 O THR A 102 106.049 18.062 8.945 1.00 0.00 O ATOM 1519 CB THR A 102 105.191 18.305 12.075 1.00 0.00 C ATOM 1520 OG1 THR A 102 106.533 18.741 11.921 1.00 0.00 O ATOM 1521 CG2 THR A 102 105.179 16.862 12.588 1.00 0.00 C ATOM 0 H THR A 102 102.870 17.496 11.744 1.00 0.00 H new ATOM 0 HA THR A 102 104.469 19.426 10.381 1.00 0.00 H new ATOM 0 HB THR A 102 104.676 18.941 12.795 1.00 0.00 H new ATOM 0 HG1 THR A 102 106.995 18.688 12.784 1.00 0.00 H new ATOM 0 HG21 THR A 102 105.693 16.813 13.548 1.00 0.00 H new ATOM 0 HG22 THR A 102 104.149 16.528 12.710 1.00 0.00 H new ATOM 0 HG23 THR A 102 105.687 16.217 11.871 1.00 0.00 H new ATOM 1529 N SER A 103 104.906 16.256 9.644 1.00 0.00 N ATOM 1530 CA SER A 103 105.568 15.343 8.713 1.00 0.00 C ATOM 1531 C SER A 103 104.572 14.798 7.695 1.00 0.00 C ATOM 1532 O SER A 103 103.372 14.730 7.962 1.00 0.00 O ATOM 1533 CB SER A 103 106.200 14.181 9.481 1.00 0.00 C ATOM 1534 OG SER A 103 107.256 14.670 10.299 1.00 0.00 O ATOM 0 H SER A 103 104.205 15.816 10.239 1.00 0.00 H new ATOM 0 HA SER A 103 106.345 15.896 8.185 1.00 0.00 H new ATOM 0 HB2 SER A 103 105.448 13.687 10.096 1.00 0.00 H new ATOM 0 HB3 SER A 103 106.582 13.435 8.784 1.00 0.00 H new ATOM 0 HG SER A 103 107.659 13.925 10.792 1.00 0.00 H new ATOM 1540 N ASP A 104 105.077 14.409 6.528 1.00 0.00 N ATOM 1541 CA ASP A 104 104.213 13.892 5.473 1.00 0.00 C ATOM 1542 C ASP A 104 104.182 12.368 5.511 1.00 0.00 C ATOM 1543 O ASP A 104 105.222 11.727 5.655 1.00 0.00 O ATOM 1544 CB ASP A 104 104.718 14.361 4.105 1.00 0.00 C ATOM 1545 CG ASP A 104 104.648 15.882 4.001 1.00 0.00 C ATOM 1546 OD1 ASP A 104 103.769 16.467 4.615 1.00 0.00 O ATOM 1547 OD2 ASP A 104 105.478 16.444 3.304 1.00 0.00 O ATOM 0 H ASP A 104 106.069 14.441 6.291 1.00 0.00 H new ATOM 0 HA ASP A 104 103.204 14.271 5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 104 105.745 14.028 3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 104 104.118 13.909 3.315 1.00 0.00 H new ATOM 1552 N TYR A 105 102.986 11.799 5.370 1.00 0.00 N ATOM 1553 CA TYR A 105 102.816 10.349 5.421 1.00 0.00 C ATOM 1554 C TYR A 105 102.298 9.823 4.086 1.00 0.00 C ATOM 1555 O TYR A 105 101.446 10.450 3.455 1.00 0.00 O ATOM 1556 CB TYR A 105 101.818 9.989 6.523 1.00 0.00 C ATOM 1557 CG TYR A 105 102.192 10.540 7.879 1.00 0.00 C ATOM 1558 CD1 TYR A 105 101.737 11.807 8.268 1.00 0.00 C ATOM 1559 CD2 TYR A 105 102.989 9.786 8.746 1.00 0.00 C ATOM 1560 CE1 TYR A 105 102.082 12.317 9.526 1.00 0.00 C ATOM 1561 CE2 TYR A 105 103.334 10.297 10.003 1.00 0.00 C ATOM 1562 CZ TYR A 105 102.881 11.563 10.392 1.00 0.00 C ATOM 1563 OH TYR A 105 103.220 12.066 11.631 1.00 0.00 O ATOM 0 H TYR A 105 102.122 12.320 5.220 1.00 0.00 H new ATOM 0 HA TYR A 105 103.784 9.893 5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 105 100.833 10.364 6.246 1.00 0.00 H new ATOM 0 HB3 TYR A 105 101.739 8.904 6.590 1.00 0.00 H new ATOM 0 HD1 TYR A 105 101.121 12.389 7.599 1.00 0.00 H new ATOM 0 HD2 TYR A 105 103.339 8.809 8.446 1.00 0.00 H new ATOM 0 HE1 TYR A 105 101.731 13.293 9.828 1.00 0.00 H new ATOM 0 HE2 TYR A 105 103.950 9.714 10.672 1.00 0.00 H new ATOM 0 HH TYR A 105 103.778 11.416 12.107 1.00 0.00 H new ATOM 1573 N GLY A 106 102.813 8.673 3.656 1.00 0.00 N ATOM 1574 CA GLY A 106 102.364 8.073 2.403 1.00 0.00 C ATOM 1575 C GLY A 106 102.226 6.558 2.527 1.00 0.00 C ATOM 1576 O GLY A 106 102.869 5.937 3.372 1.00 0.00 O ATOM 0 H GLY A 106 103.532 8.144 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 106 101.405 8.504 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 106 103.072 8.311 1.610 1.00 0.00 H new ATOM 1580 N PHE A 107 101.390 5.977 1.670 1.00 0.00 N ATOM 1581 CA PHE A 107 101.177 4.530 1.664 1.00 0.00 C ATOM 1582 C PHE A 107 101.719 3.921 0.373 1.00 0.00 C ATOM 1583 O PHE A 107 101.625 4.539 -0.687 1.00 0.00 O ATOM 1584 CB PHE A 107 99.683 4.222 1.787 1.00 0.00 C ATOM 1585 CG PHE A 107 99.071 4.722 3.074 1.00 0.00 C ATOM 1586 CD1 PHE A 107 99.138 3.938 4.232 1.00 0.00 C ATOM 1587 CD2 PHE A 107 98.436 5.970 3.108 1.00 0.00 C ATOM 1588 CE1 PHE A 107 98.571 4.402 5.425 1.00 0.00 C ATOM 1589 CE2 PHE A 107 97.869 6.433 4.301 1.00 0.00 C ATOM 1590 CZ PHE A 107 97.937 5.650 5.459 1.00 0.00 C ATOM 0 H PHE A 107 100.849 6.485 0.970 1.00 0.00 H new ATOM 0 HA PHE A 107 101.707 4.096 2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 107 99.157 4.671 0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 107 99.535 3.144 1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 107 99.627 2.975 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 107 98.384 6.574 2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 107 98.623 3.798 6.319 1.00 0.00 H new ATOM 0 HE2 PHE A 107 97.379 7.395 4.328 1.00 0.00 H new ATOM 0 HZ PHE A 107 97.500 6.009 6.379 1.00 0.00 H new ATOM 1600 N SER A 108 102.278 2.713 0.455 1.00 0.00 N ATOM 1601 CA SER A 108 102.857 2.068 -0.724 1.00 0.00 C ATOM 1602 C SER A 108 102.355 0.635 -0.877 1.00 0.00 C ATOM 1603 O SER A 108 102.149 -0.067 0.112 1.00 0.00 O ATOM 1604 CB SER A 108 104.382 2.061 -0.609 1.00 0.00 C ATOM 1605 OG SER A 108 104.848 3.399 -0.494 1.00 0.00 O ATOM 0 H SER A 108 102.342 2.167 1.314 1.00 0.00 H new ATOM 0 HA SER A 108 102.550 2.634 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 108 104.690 1.480 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 108 104.823 1.584 -1.484 1.00 0.00 H new ATOM 0 HG SER A 108 105.825 3.400 -0.419 1.00 0.00 H new ATOM 1611 N TYR A 109 102.174 0.217 -2.128 1.00 0.00 N ATOM 1612 CA TYR A 109 101.755 -1.148 -2.438 1.00 0.00 C ATOM 1613 C TYR A 109 102.478 -1.628 -3.694 1.00 0.00 C ATOM 1614 O TYR A 109 102.727 -0.828 -4.596 1.00 0.00 O ATOM 1615 CB TYR A 109 100.245 -1.183 -2.681 1.00 0.00 C ATOM 1616 CG TYR A 109 99.710 -2.563 -2.982 1.00 0.00 C ATOM 1617 CD1 TYR A 109 99.793 -3.077 -4.283 1.00 0.00 C ATOM 1618 CD2 TYR A 109 99.126 -3.326 -1.965 1.00 0.00 C ATOM 1619 CE1 TYR A 109 99.294 -4.354 -4.564 1.00 0.00 C ATOM 1620 CE2 TYR A 109 98.627 -4.604 -2.247 1.00 0.00 C ATOM 1621 CZ TYR A 109 98.711 -5.117 -3.546 1.00 0.00 C ATOM 1622 OH TYR A 109 98.219 -6.376 -3.823 1.00 0.00 O ATOM 0 H TYR A 109 102.312 0.808 -2.948 1.00 0.00 H new ATOM 0 HA TYR A 109 102.002 -1.799 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 109 99.735 -0.789 -1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 109 100.004 -0.520 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 109 100.242 -2.488 -5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 109 99.060 -2.930 -0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 109 99.359 -4.751 -5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 109 98.177 -5.193 -1.462 1.00 0.00 H new ATOM 0 HH TYR A 109 97.849 -6.770 -3.005 1.00 0.00 H new ATOM 1632 N GLY A 110 102.828 -2.916 -3.753 1.00 0.00 N ATOM 1633 CA GLY A 110 103.471 -3.446 -4.955 1.00 0.00 C ATOM 1634 C GLY A 110 103.622 -4.962 -4.911 1.00 0.00 C ATOM 1635 O GLY A 110 103.244 -5.606 -3.936 1.00 0.00 O ATOM 0 H GLY A 110 102.682 -3.593 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 110 102.885 -3.167 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.454 -2.989 -5.070 1.00 0.00 H new ATOM 1639 N ALA A 111 104.187 -5.516 -5.979 1.00 0.00 N ATOM 1640 CA ALA A 111 104.418 -6.953 -6.069 1.00 0.00 C ATOM 1641 C ALA A 111 105.741 -7.221 -6.779 1.00 0.00 C ATOM 1642 O ALA A 111 106.245 -6.362 -7.503 1.00 0.00 O ATOM 1643 CB ALA A 111 103.276 -7.621 -6.839 1.00 0.00 C ATOM 0 H ALA A 111 104.494 -4.989 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 111 104.459 -7.368 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.458 -8.694 -6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 111 102.334 -7.442 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.222 -7.204 -7.844 1.00 0.00 H new ATOM 1649 N GLY A 112 106.302 -8.411 -6.572 1.00 0.00 N ATOM 1650 CA GLY A 112 107.598 -8.735 -7.158 1.00 0.00 C ATOM 1651 C GLY A 112 107.677 -10.198 -7.576 1.00 0.00 C ATOM 1652 O GLY A 112 106.929 -11.039 -7.075 1.00 0.00 O ATOM 0 H GLY A 112 105.886 -9.155 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 112 107.775 -8.099 -8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 112 108.387 -8.519 -6.438 1.00 0.00 H new ATOM 1656 N LEU A 113 108.597 -10.480 -8.496 1.00 0.00 N ATOM 1657 CA LEU A 113 108.810 -11.837 -8.989 1.00 0.00 C ATOM 1658 C LEU A 113 110.262 -12.241 -8.760 1.00 0.00 C ATOM 1659 O LEU A 113 111.168 -11.427 -8.940 1.00 0.00 O ATOM 1660 CB LEU A 113 108.497 -11.916 -10.489 1.00 0.00 C ATOM 1661 CG LEU A 113 107.091 -11.380 -10.782 1.00 0.00 C ATOM 1662 CD1 LEU A 113 106.832 -11.429 -12.289 1.00 0.00 C ATOM 1663 CD2 LEU A 113 106.046 -12.239 -10.067 1.00 0.00 C ATOM 0 H LEU A 113 109.210 -9.781 -8.917 1.00 0.00 H new ATOM 0 HA LEU A 113 108.146 -12.513 -8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 113 109.234 -11.341 -11.049 1.00 0.00 H new ATOM 0 HB3 LEU A 113 108.575 -12.949 -10.827 1.00 0.00 H new ATOM 0 HG LEU A 113 107.020 -10.352 -10.426 1.00 0.00 H new ATOM 0 HD11 LEU A 113 105.833 -11.048 -12.499 1.00 0.00 H new ATOM 0 HD12 LEU A 113 107.570 -10.815 -12.805 1.00 0.00 H new ATOM 0 HD13 LEU A 113 106.909 -12.459 -12.638 1.00 0.00 H new ATOM 0 HD21 LEU A 113 105.049 -11.852 -10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 113 106.118 -13.268 -10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 113 106.225 -12.210 -8.992 1.00 0.00 H new ATOM 1675 N GLN A 114 110.477 -13.491 -8.355 1.00 0.00 N ATOM 1676 CA GLN A 114 111.828 -13.999 -8.126 1.00 0.00 C ATOM 1677 C GLN A 114 112.173 -15.070 -9.157 1.00 0.00 C ATOM 1678 O GLN A 114 111.386 -15.987 -9.396 1.00 0.00 O ATOM 1679 CB GLN A 114 111.929 -14.591 -6.719 1.00 0.00 C ATOM 1680 CG GLN A 114 113.378 -14.991 -6.432 1.00 0.00 C ATOM 1681 CD GLN A 114 113.460 -15.742 -5.108 1.00 0.00 C ATOM 1682 OE1 GLN A 114 112.799 -16.765 -4.931 1.00 0.00 O ATOM 1683 NE2 GLN A 114 114.236 -15.291 -4.160 1.00 0.00 N ATOM 0 H GLN A 114 109.736 -14.169 -8.179 1.00 0.00 H new ATOM 0 HA GLN A 114 112.533 -13.173 -8.223 1.00 0.00 H new ATOM 0 HB2 GLN A 114 111.590 -13.863 -5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 114 111.277 -15.460 -6.632 1.00 0.00 H new ATOM 0 HG2 GLN A 114 113.757 -15.618 -7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 114 114.009 -14.103 -6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 114 114.783 -14.443 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 114 114.295 -15.787 -3.271 1.00 0.00 H new ATOM 1692 N PHE A 115 113.350 -14.952 -9.769 1.00 0.00 N ATOM 1693 CA PHE A 115 113.782 -15.918 -10.778 1.00 0.00 C ATOM 1694 C PHE A 115 115.113 -16.545 -10.384 1.00 0.00 C ATOM 1695 O PHE A 115 116.018 -15.852 -9.919 1.00 0.00 O ATOM 1696 CB PHE A 115 113.928 -15.220 -12.132 1.00 0.00 C ATOM 1697 CG PHE A 115 112.633 -14.645 -12.654 1.00 0.00 C ATOM 1698 CD1 PHE A 115 111.796 -15.427 -13.461 1.00 0.00 C ATOM 1699 CD2 PHE A 115 112.269 -13.333 -12.333 1.00 0.00 C ATOM 1700 CE1 PHE A 115 110.595 -14.895 -13.945 1.00 0.00 C ATOM 1701 CE2 PHE A 115 111.067 -12.802 -12.817 1.00 0.00 C ATOM 1702 CZ PHE A 115 110.230 -13.583 -13.623 1.00 0.00 C ATOM 0 H PHE A 115 114.018 -14.203 -9.586 1.00 0.00 H new ATOM 0 HA PHE A 115 113.031 -16.704 -10.849 1.00 0.00 H new ATOM 0 HB2 PHE A 115 114.662 -14.419 -12.042 1.00 0.00 H new ATOM 0 HB3 PHE A 115 114.320 -15.932 -12.859 1.00 0.00 H new ATOM 0 HD1 PHE A 115 112.077 -16.440 -13.709 1.00 0.00 H new ATOM 0 HD2 PHE A 115 112.915 -12.730 -11.712 1.00 0.00 H new ATOM 0 HE1 PHE A 115 109.950 -15.497 -14.567 1.00 0.00 H new ATOM 0 HE2 PHE A 115 110.785 -11.789 -12.568 1.00 0.00 H new ATOM 0 HZ PHE A 115 109.303 -13.173 -13.996 1.00 0.00 H new ATOM 1712 N ASN A 116 115.220 -17.858 -10.573 1.00 0.00 N ATOM 1713 CA ASN A 116 116.444 -18.578 -10.243 1.00 0.00 C ATOM 1714 C ASN A 116 116.714 -19.676 -11.279 1.00 0.00 C ATOM 1715 O ASN A 116 116.339 -20.831 -11.059 1.00 0.00 O ATOM 1716 CB ASN A 116 116.323 -19.195 -8.847 1.00 0.00 C ATOM 1717 CG ASN A 116 117.703 -19.576 -8.322 1.00 0.00 C ATOM 1718 OD1 ASN A 116 117.899 -20.774 -7.841 1.00 0.00 O flip ATOM 1719 ND2 ASN A 116 118.625 -18.763 -8.350 1.00 0.00 N flip ATOM 0 H ASN A 116 114.475 -18.443 -10.952 1.00 0.00 H new ATOM 0 HA ASN A 116 117.278 -17.876 -10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 116 115.850 -18.486 -8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 116 115.683 -20.077 -8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 116 118.469 -17.828 -8.726 1.00 0.00 H new ATOM 0 HD22 ASN A 116 119.546 -19.024 -7.997 1.00 0.00 H new ATOM 1726 N PRO A 117 117.341 -19.359 -12.394 1.00 0.00 N ATOM 1727 CA PRO A 117 117.594 -20.373 -13.462 1.00 0.00 C ATOM 1728 C PRO A 117 118.781 -21.278 -13.139 1.00 0.00 C ATOM 1729 O PRO A 117 119.884 -21.081 -13.649 1.00 0.00 O ATOM 1730 CB PRO A 117 117.869 -19.529 -14.706 1.00 0.00 C ATOM 1731 CG PRO A 117 118.453 -18.256 -14.192 1.00 0.00 C ATOM 1732 CD PRO A 117 117.883 -18.040 -12.789 1.00 0.00 C ATOM 0 HA PRO A 117 116.752 -21.055 -13.582 1.00 0.00 H new ATOM 0 HB2 PRO A 117 118.559 -20.035 -15.381 1.00 0.00 H new ATOM 0 HB3 PRO A 117 116.953 -19.344 -15.267 1.00 0.00 H new ATOM 0 HG2 PRO A 117 119.541 -18.315 -14.162 1.00 0.00 H new ATOM 0 HG3 PRO A 117 118.197 -17.422 -14.845 1.00 0.00 H new ATOM 0 HD2 PRO A 117 118.655 -17.706 -12.096 1.00 0.00 H new ATOM 0 HD3 PRO A 117 117.105 -17.277 -12.791 1.00 0.00 H new ATOM 1740 N MET A 118 118.547 -22.272 -12.285 1.00 0.00 N ATOM 1741 CA MET A 118 119.591 -23.231 -11.920 1.00 0.00 C ATOM 1742 C MET A 118 120.872 -22.527 -11.463 1.00 0.00 C ATOM 1743 O MET A 118 121.976 -23.030 -11.674 1.00 0.00 O ATOM 1744 CB MET A 118 119.907 -24.129 -13.121 1.00 0.00 C ATOM 1745 CG MET A 118 118.640 -24.841 -13.609 1.00 0.00 C ATOM 1746 SD MET A 118 117.915 -25.834 -12.278 1.00 0.00 S ATOM 1747 CE MET A 118 119.300 -26.978 -12.059 1.00 0.00 C ATOM 0 H MET A 118 117.647 -22.435 -11.833 1.00 0.00 H new ATOM 0 HA MET A 118 119.218 -23.829 -11.089 1.00 0.00 H new ATOM 0 HB2 MET A 118 120.329 -23.531 -13.929 1.00 0.00 H new ATOM 0 HB3 MET A 118 120.661 -24.866 -12.843 1.00 0.00 H new ATOM 0 HG2 MET A 118 117.915 -24.106 -13.958 1.00 0.00 H new ATOM 0 HG3 MET A 118 118.880 -25.481 -14.458 1.00 0.00 H new ATOM 0 HE1 MET A 118 118.931 -27.926 -11.668 1.00 0.00 H new ATOM 0 HE2 MET A 118 119.788 -27.147 -13.019 1.00 0.00 H new ATOM 0 HE3 MET A 118 120.017 -26.551 -11.358 1.00 0.00 H new ATOM 1757 N GLU A 119 120.723 -21.364 -10.831 1.00 0.00 N ATOM 1758 CA GLU A 119 121.870 -20.595 -10.361 1.00 0.00 C ATOM 1759 C GLU A 119 121.737 -20.332 -8.863 1.00 0.00 C ATOM 1760 O GLU A 119 120.626 -20.285 -8.335 1.00 0.00 O ATOM 1761 CB GLU A 119 121.939 -19.269 -11.127 1.00 0.00 C ATOM 1762 CG GLU A 119 123.276 -18.565 -10.857 1.00 0.00 C ATOM 1763 CD GLU A 119 123.351 -17.197 -11.546 1.00 0.00 C ATOM 1764 OE1 GLU A 119 122.389 -16.792 -12.183 1.00 0.00 O ATOM 1765 OE2 GLU A 119 124.388 -16.565 -11.423 1.00 0.00 O ATOM 0 H GLU A 119 119.819 -20.935 -10.633 1.00 0.00 H new ATOM 0 HA GLU A 119 122.786 -21.159 -10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 119 121.826 -19.453 -12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 119 121.114 -18.624 -10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 119 123.409 -18.438 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 119 124.095 -19.194 -11.208 1.00 0.00 H new ATOM 1772 N ASN A 120 122.866 -20.164 -8.181 1.00 0.00 N ATOM 1773 CA ASN A 120 122.840 -19.898 -6.741 1.00 0.00 C ATOM 1774 C ASN A 120 122.553 -18.423 -6.412 1.00 0.00 C ATOM 1775 O ASN A 120 122.642 -18.024 -5.250 1.00 0.00 O ATOM 1776 CB ASN A 120 124.183 -20.295 -6.124 1.00 0.00 C ATOM 1777 CG ASN A 120 124.432 -21.788 -6.315 1.00 0.00 C ATOM 1778 OD1 ASN A 120 123.491 -22.562 -6.498 1.00 0.00 O ATOM 1779 ND2 ASN A 120 125.655 -22.244 -6.283 1.00 0.00 N ATOM 0 H ASN A 120 123.799 -20.206 -8.592 1.00 0.00 H new ATOM 0 HA ASN A 120 122.028 -20.491 -6.321 1.00 0.00 H new ATOM 0 HB2 ASN A 120 124.987 -19.723 -6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 120 124.189 -20.051 -5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 120 125.831 -23.241 -6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 120 126.434 -21.604 -6.132 1.00 0.00 H new ATOM 1786 N VAL A 121 122.212 -17.614 -7.416 1.00 0.00 N ATOM 1787 CA VAL A 121 121.849 -16.217 -7.195 1.00 0.00 C ATOM 1788 C VAL A 121 120.457 -15.964 -7.766 1.00 0.00 C ATOM 1789 O VAL A 121 120.132 -16.436 -8.855 1.00 0.00 O ATOM 1790 CB VAL A 121 122.866 -15.289 -7.869 1.00 0.00 C ATOM 1791 CG1 VAL A 121 122.522 -13.830 -7.554 1.00 0.00 C ATOM 1792 CG2 VAL A 121 124.272 -15.595 -7.346 1.00 0.00 C ATOM 0 H VAL A 121 122.180 -17.905 -8.393 1.00 0.00 H new ATOM 0 HA VAL A 121 121.849 -16.011 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 121 122.833 -15.450 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 121 123.247 -13.173 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 121 121.523 -13.603 -7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 121 122.550 -13.674 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 121 124.992 -14.933 -7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 121 124.301 -15.439 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 121 124.526 -16.631 -7.570 1.00 0.00 H new ATOM 1802 N ALA A 122 119.637 -15.219 -7.030 1.00 0.00 N ATOM 1803 CA ALA A 122 118.263 -14.959 -7.454 1.00 0.00 C ATOM 1804 C ALA A 122 118.069 -13.476 -7.746 1.00 0.00 C ATOM 1805 O ALA A 122 118.656 -12.628 -7.077 1.00 0.00 O ATOM 1806 CB ALA A 122 117.290 -15.392 -6.355 1.00 0.00 C ATOM 0 H ALA A 122 119.897 -14.787 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 122 118.066 -15.529 -8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 122 116.267 -15.196 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 122 117.411 -16.458 -6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 122 117.498 -14.831 -5.444 1.00 0.00 H new ATOM 1812 N LEU A 123 117.240 -13.178 -8.742 1.00 0.00 N ATOM 1813 CA LEU A 123 116.976 -11.795 -9.129 1.00 0.00 C ATOM 1814 C LEU A 123 115.541 -11.428 -8.777 1.00 0.00 C ATOM 1815 O LEU A 123 114.636 -12.246 -8.942 1.00 0.00 O ATOM 1816 CB LEU A 123 117.195 -11.615 -10.634 1.00 0.00 C ATOM 1817 CG LEU A 123 118.667 -11.867 -10.978 1.00 0.00 C ATOM 1818 CD1 LEU A 123 118.900 -13.365 -11.187 1.00 0.00 C ATOM 1819 CD2 LEU A 123 119.028 -11.114 -12.262 1.00 0.00 C ATOM 0 H LEU A 123 116.740 -13.874 -9.295 1.00 0.00 H new ATOM 0 HA LEU A 123 117.662 -11.142 -8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 123 116.559 -12.305 -11.188 1.00 0.00 H new ATOM 0 HB3 LEU A 123 116.909 -10.607 -10.934 1.00 0.00 H new ATOM 0 HG LEU A 123 119.293 -11.514 -10.158 1.00 0.00 H new ATOM 0 HD11 LEU A 123 119.948 -13.540 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 123 118.646 -13.904 -10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 123 118.273 -13.720 -12.005 1.00 0.00 H new ATOM 0 HD21 LEU A 123 120.075 -11.293 -12.507 1.00 0.00 H new ATOM 0 HD22 LEU A 123 118.399 -11.466 -13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 123 118.867 -10.046 -12.115 1.00 0.00 H new ATOM 1831 N ASP A 124 115.334 -10.207 -8.292 1.00 0.00 N ATOM 1832 CA ASP A 124 114.001 -9.768 -7.891 1.00 0.00 C ATOM 1833 C ASP A 124 113.630 -8.477 -8.607 1.00 0.00 C ATOM 1834 O ASP A 124 114.392 -7.509 -8.584 1.00 0.00 O ATOM 1835 CB ASP A 124 113.961 -9.541 -6.378 1.00 0.00 C ATOM 1836 CG ASP A 124 114.383 -10.812 -5.649 1.00 0.00 C ATOM 1837 OD1 ASP A 124 115.566 -10.963 -5.397 1.00 0.00 O ATOM 1838 OD2 ASP A 124 113.514 -11.617 -5.353 1.00 0.00 O ATOM 0 H ASP A 124 116.067 -9.508 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 124 113.284 -10.543 -8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 124 114.624 -8.719 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 124 112.955 -9.253 -6.072 1.00 0.00 H new ATOM 1843 N PHE A 125 112.471 -8.485 -9.259 1.00 0.00 N ATOM 1844 CA PHE A 125 111.953 -7.289 -9.919 1.00 0.00 C ATOM 1845 C PHE A 125 110.589 -6.948 -9.335 1.00 0.00 C ATOM 1846 O PHE A 125 109.741 -7.827 -9.197 1.00 0.00 O ATOM 1847 CB PHE A 125 111.822 -7.536 -11.423 1.00 0.00 C ATOM 1848 CG PHE A 125 113.136 -7.844 -12.101 1.00 0.00 C ATOM 1849 CD1 PHE A 125 113.964 -6.799 -12.531 1.00 0.00 C ATOM 1850 CD2 PHE A 125 113.528 -9.173 -12.297 1.00 0.00 C ATOM 1851 CE1 PHE A 125 115.182 -7.086 -13.159 1.00 0.00 C ATOM 1852 CE2 PHE A 125 114.746 -9.460 -12.923 1.00 0.00 C ATOM 1853 CZ PHE A 125 115.573 -8.416 -13.355 1.00 0.00 C ATOM 0 H PHE A 125 111.872 -9.306 -9.345 1.00 0.00 H new ATOM 0 HA PHE A 125 112.641 -6.459 -9.757 1.00 0.00 H new ATOM 0 HB2 PHE A 125 111.134 -8.365 -11.588 1.00 0.00 H new ATOM 0 HB3 PHE A 125 111.379 -6.656 -11.890 1.00 0.00 H new ATOM 0 HD1 PHE A 125 113.663 -5.773 -12.378 1.00 0.00 H new ATOM 0 HD2 PHE A 125 112.890 -9.978 -11.965 1.00 0.00 H new ATOM 0 HE1 PHE A 125 115.820 -6.281 -13.492 1.00 0.00 H new ATOM 0 HE2 PHE A 125 115.048 -10.486 -13.073 1.00 0.00 H new ATOM 0 HZ PHE A 125 116.513 -8.637 -13.839 1.00 0.00 H new ATOM 1863 N SER A 126 110.376 -5.682 -8.988 1.00 0.00 N ATOM 1864 CA SER A 126 109.121 -5.277 -8.359 1.00 0.00 C ATOM 1865 C SER A 126 108.583 -3.985 -8.961 1.00 0.00 C ATOM 1866 O SER A 126 109.343 -3.128 -9.411 1.00 0.00 O ATOM 1867 CB SER A 126 109.338 -5.081 -6.857 1.00 0.00 C ATOM 1868 OG SER A 126 109.810 -6.298 -6.292 1.00 0.00 O ATOM 0 H SER A 126 111.046 -4.926 -9.129 1.00 0.00 H new ATOM 0 HA SER A 126 108.390 -6.066 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.058 -4.281 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 126 108.406 -4.781 -6.378 1.00 0.00 H new ATOM 0 HG SER A 126 110.643 -6.130 -5.803 1.00 0.00 H new ATOM 1874 N TYR A 127 107.259 -3.859 -8.964 1.00 0.00 N ATOM 1875 CA TYR A 127 106.606 -2.625 -9.386 1.00 0.00 C ATOM 1876 C TYR A 127 105.922 -1.987 -8.182 1.00 0.00 C ATOM 1877 O TYR A 127 105.029 -2.582 -7.580 1.00 0.00 O ATOM 1878 CB TYR A 127 105.562 -2.926 -10.462 1.00 0.00 C ATOM 1879 CG TYR A 127 106.133 -3.590 -11.692 1.00 0.00 C ATOM 1880 CD1 TYR A 127 106.200 -4.986 -11.766 1.00 0.00 C ATOM 1881 CD2 TYR A 127 106.591 -2.810 -12.761 1.00 0.00 C ATOM 1882 CE1 TYR A 127 106.724 -5.603 -12.907 1.00 0.00 C ATOM 1883 CE2 TYR A 127 107.116 -3.427 -13.902 1.00 0.00 C ATOM 1884 CZ TYR A 127 107.184 -4.823 -13.976 1.00 0.00 C ATOM 1885 OH TYR A 127 107.701 -5.431 -15.102 1.00 0.00 O ATOM 0 H TYR A 127 106.617 -4.598 -8.678 1.00 0.00 H new ATOM 0 HA TYR A 127 107.352 -1.944 -9.796 1.00 0.00 H new ATOM 0 HB2 TYR A 127 104.791 -3.569 -10.038 1.00 0.00 H new ATOM 0 HB3 TYR A 127 105.076 -1.995 -10.755 1.00 0.00 H new ATOM 0 HD1 TYR A 127 105.847 -5.588 -10.941 1.00 0.00 H new ATOM 0 HD2 TYR A 127 106.539 -1.733 -12.705 1.00 0.00 H new ATOM 0 HE1 TYR A 127 106.774 -6.680 -12.964 1.00 0.00 H new ATOM 0 HE2 TYR A 127 107.469 -2.825 -14.726 1.00 0.00 H new ATOM 0 HH TYR A 127 107.973 -4.746 -15.748 1.00 0.00 H new ATOM 1895 N GLU A 128 106.342 -0.774 -7.832 1.00 0.00 N ATOM 1896 CA GLU A 128 105.819 -0.106 -6.643 1.00 0.00 C ATOM 1897 C GLU A 128 105.121 1.200 -7.004 1.00 0.00 C ATOM 1898 O GLU A 128 105.633 1.997 -7.791 1.00 0.00 O ATOM 1899 CB GLU A 128 106.965 0.187 -5.671 1.00 0.00 C ATOM 1900 CG GLU A 128 106.396 0.718 -4.350 1.00 0.00 C ATOM 1901 CD GLU A 128 107.502 1.115 -3.367 1.00 0.00 C ATOM 1902 OE1 GLU A 128 108.673 1.011 -3.707 1.00 0.00 O ATOM 1903 OE2 GLU A 128 107.158 1.526 -2.272 1.00 0.00 O ATOM 0 H GLU A 128 107.037 -0.237 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 128 105.091 -0.769 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 128 107.543 -0.719 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 128 107.646 0.919 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 128 105.761 1.581 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 128 105.763 -0.044 -3.895 1.00 0.00 H new ATOM 1910 N GLN A 129 103.947 1.410 -6.417 1.00 0.00 N ATOM 1911 CA GLN A 129 103.222 2.665 -6.577 1.00 0.00 C ATOM 1912 C GLN A 129 102.928 3.245 -5.200 1.00 0.00 C ATOM 1913 O GLN A 129 102.526 2.518 -4.292 1.00 0.00 O ATOM 1914 CB GLN A 129 101.909 2.423 -7.327 1.00 0.00 C ATOM 1915 CG GLN A 129 102.212 1.931 -8.744 1.00 0.00 C ATOM 1916 CD GLN A 129 100.917 1.600 -9.486 1.00 0.00 C ATOM 1917 OE1 GLN A 129 99.868 1.416 -8.869 1.00 0.00 O ATOM 1918 NE2 GLN A 129 100.932 1.512 -10.788 1.00 0.00 N ATOM 0 H GLN A 129 103.477 0.725 -5.825 1.00 0.00 H new ATOM 0 HA GLN A 129 103.829 3.365 -7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 129 101.306 1.686 -6.796 1.00 0.00 H new ATOM 0 HB3 GLN A 129 101.326 3.343 -7.367 1.00 0.00 H new ATOM 0 HG2 GLN A 129 102.765 2.695 -9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 129 102.848 1.047 -8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 129 101.801 1.664 -11.299 1.00 0.00 H new ATOM 0 HE22 GLN A 129 100.074 1.291 -11.294 1.00 0.00 H new ATOM 1927 N SER A 130 103.151 4.546 -5.036 1.00 0.00 N ATOM 1928 CA SER A 130 102.942 5.189 -3.742 1.00 0.00 C ATOM 1929 C SER A 130 102.113 6.458 -3.895 1.00 0.00 C ATOM 1930 O SER A 130 102.236 7.176 -4.886 1.00 0.00 O ATOM 1931 CB SER A 130 104.290 5.536 -3.113 1.00 0.00 C ATOM 1932 OG SER A 130 105.052 4.346 -2.956 1.00 0.00 O ATOM 0 H SER A 130 103.473 5.171 -5.775 1.00 0.00 H new ATOM 0 HA SER A 130 102.403 4.495 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 130 104.827 6.246 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 130 104.141 6.017 -2.146 1.00 0.00 H new ATOM 0 HG SER A 130 105.025 4.062 -2.019 1.00 0.00 H new ATOM 1938 N ARG A 131 101.283 6.729 -2.894 1.00 0.00 N ATOM 1939 CA ARG A 131 100.484 7.950 -2.869 1.00 0.00 C ATOM 1940 C ARG A 131 100.872 8.789 -1.659 1.00 0.00 C ATOM 1941 O ARG A 131 100.806 8.318 -0.521 1.00 0.00 O ATOM 1942 CB ARG A 131 98.996 7.603 -2.798 1.00 0.00 C ATOM 1943 CG ARG A 131 98.585 6.850 -4.065 1.00 0.00 C ATOM 1944 CD ARG A 131 97.089 6.537 -4.011 1.00 0.00 C ATOM 1945 NE ARG A 131 96.306 7.771 -4.137 1.00 0.00 N ATOM 1946 CZ ARG A 131 95.004 7.857 -3.824 1.00 0.00 C ATOM 1947 NH1 ARG A 131 94.323 6.829 -3.379 1.00 0.00 N ATOM 1948 NH2 ARG A 131 94.396 9.003 -3.968 1.00 0.00 N ATOM 0 H ARG A 131 101.145 6.119 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 131 100.673 8.517 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 131 98.796 6.991 -1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 131 98.404 8.513 -2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 131 98.810 7.450 -4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 131 99.157 5.927 -4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 131 96.826 5.848 -4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 131 96.848 6.040 -3.071 1.00 0.00 H new ATOM 0 HE ARG A 131 96.776 8.608 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 131 94.782 5.926 -3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 131 93.334 6.932 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 131 94.910 9.813 -4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 131 93.407 9.088 -3.735 1.00 0.00 H new ATOM 1962 N ILE A 132 101.296 10.024 -1.919 1.00 0.00 N ATOM 1963 CA ILE A 132 101.724 10.928 -0.860 1.00 0.00 C ATOM 1964 C ILE A 132 100.950 12.221 -1.028 1.00 0.00 C ATOM 1965 O ILE A 132 101.371 13.087 -1.794 1.00 0.00 O ATOM 1966 CB ILE A 132 103.226 11.206 -0.966 1.00 0.00 C ATOM 1967 CG1 ILE A 132 104.000 9.886 -0.907 1.00 0.00 C ATOM 1968 CG2 ILE A 132 103.665 12.101 0.194 1.00 0.00 C ATOM 1969 CD1 ILE A 132 105.481 10.148 -1.182 1.00 0.00 C ATOM 0 H ILE A 132 101.351 10.420 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 132 101.534 10.483 0.117 1.00 0.00 H new ATOM 0 HB ILE A 132 103.432 11.707 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 132 103.878 9.424 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 132 103.602 9.186 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 132 104.734 12.298 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 132 103.119 13.043 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 132 103.455 11.600 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 132 106.031 9.208 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 132 105.595 10.591 -2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 132 105.875 10.833 -0.431 1.00 0.00 H new ATOM 1981 N ARG A 133 99.833 12.336 -0.302 1.00 0.00 N ATOM 1982 CA ARG A 133 98.776 13.340 -0.537 1.00 0.00 C ATOM 1983 C ARG A 133 98.848 14.040 -1.903 1.00 0.00 C ATOM 1984 O ARG A 133 99.580 15.014 -2.076 1.00 0.00 O ATOM 1985 CB ARG A 133 98.838 14.400 0.563 1.00 0.00 C ATOM 1986 CG ARG A 133 98.544 13.750 1.916 1.00 0.00 C ATOM 1987 CD ARG A 133 98.580 14.815 3.014 1.00 0.00 C ATOM 1988 NE ARG A 133 97.442 15.727 2.873 1.00 0.00 N ATOM 1989 CZ ARG A 133 96.188 15.408 3.229 1.00 0.00 C ATOM 1990 NH1 ARG A 133 95.881 14.237 3.734 1.00 0.00 N ATOM 1991 NH2 ARG A 133 95.242 16.292 3.066 1.00 0.00 N ATOM 0 H ARG A 133 99.629 11.721 0.486 1.00 0.00 H new ATOM 0 HA ARG A 133 97.835 12.790 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 133 99.823 14.866 0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 133 98.114 15.190 0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 133 97.567 13.268 1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 133 99.279 12.972 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 133 98.554 14.338 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 133 99.513 15.375 2.957 1.00 0.00 H new ATOM 0 HE ARG A 133 97.612 16.654 2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 133 96.607 13.533 3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 133 94.916 14.030 3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 133 95.462 17.208 2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 133 94.283 16.067 3.331 1.00 0.00 H new ATOM 2005 N SER A 134 98.088 13.516 -2.862 1.00 0.00 N ATOM 2006 CA SER A 134 97.885 14.163 -4.164 1.00 0.00 C ATOM 2007 C SER A 134 99.100 14.053 -5.097 1.00 0.00 C ATOM 2008 O SER A 134 98.992 14.393 -6.275 1.00 0.00 O ATOM 2009 CB SER A 134 97.482 15.636 -3.996 1.00 0.00 C ATOM 2010 OG SER A 134 98.641 16.454 -3.887 1.00 0.00 O ATOM 0 H SER A 134 97.593 12.630 -2.762 1.00 0.00 H new ATOM 0 HA SER A 134 97.070 13.617 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 134 96.881 15.956 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 134 96.862 15.752 -3.107 1.00 0.00 H new ATOM 0 HG SER A 134 99.325 15.984 -3.366 1.00 0.00 H new ATOM 2016 N VAL A 135 100.248 13.589 -4.596 1.00 0.00 N ATOM 2017 CA VAL A 135 101.423 13.406 -5.445 1.00 0.00 C ATOM 2018 C VAL A 135 101.603 11.924 -5.760 1.00 0.00 C ATOM 2019 O VAL A 135 101.497 11.081 -4.870 1.00 0.00 O ATOM 2020 CB VAL A 135 102.677 13.943 -4.742 1.00 0.00 C ATOM 2021 CG1 VAL A 135 103.883 13.834 -5.678 1.00 0.00 C ATOM 2022 CG2 VAL A 135 102.470 15.414 -4.366 1.00 0.00 C ATOM 0 H VAL A 135 100.386 13.336 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 135 101.277 13.959 -6.373 1.00 0.00 H new ATOM 0 HB VAL A 135 102.856 13.355 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 135 104.771 14.217 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 135 104.041 12.790 -5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 135 103.698 14.418 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 135 103.363 15.791 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 135 102.284 15.997 -5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 135 101.615 15.501 -3.695 1.00 0.00 H new ATOM 2032 N ASP A 136 101.866 11.615 -7.026 1.00 0.00 N ATOM 2033 CA ASP A 136 101.998 10.222 -7.453 1.00 0.00 C ATOM 2034 C ASP A 136 103.463 9.857 -7.662 1.00 0.00 C ATOM 2035 O ASP A 136 104.176 10.541 -8.393 1.00 0.00 O ATOM 2036 CB ASP A 136 101.225 10.003 -8.756 1.00 0.00 C ATOM 2037 CG ASP A 136 99.733 10.243 -8.543 1.00 0.00 C ATOM 2038 OD1 ASP A 136 99.257 10.000 -7.445 1.00 0.00 O ATOM 2039 OD2 ASP A 136 99.084 10.668 -9.485 1.00 0.00 O ATOM 0 H ASP A 136 101.991 12.302 -7.770 1.00 0.00 H new ATOM 0 HA ASP A 136 101.587 9.583 -6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 136 101.601 10.677 -9.526 1.00 0.00 H new ATOM 0 HB3 ASP A 136 101.388 8.987 -9.115 1.00 0.00 H new ATOM 2044 N VAL A 137 103.911 8.771 -7.036 1.00 0.00 N ATOM 2045 CA VAL A 137 105.302 8.338 -7.167 1.00 0.00 C ATOM 2046 C VAL A 137 105.361 6.925 -7.739 1.00 0.00 C ATOM 2047 O VAL A 137 104.640 6.036 -7.287 1.00 0.00 O ATOM 2048 CB VAL A 137 105.997 8.372 -5.799 1.00 0.00 C ATOM 2049 CG1 VAL A 137 107.478 8.017 -5.959 1.00 0.00 C ATOM 2050 CG2 VAL A 137 105.888 9.775 -5.194 1.00 0.00 C ATOM 0 H VAL A 137 103.337 8.178 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 137 105.816 9.019 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 137 105.513 7.649 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 137 107.966 8.043 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 137 107.569 7.017 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 137 107.955 8.738 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 137 106.383 9.792 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 137 106.366 10.496 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 137 104.837 10.037 -5.070 1.00 0.00 H new ATOM 2060 N GLY A 138 106.225 6.726 -8.731 1.00 0.00 N ATOM 2061 CA GLY A 138 106.410 5.407 -9.332 1.00 0.00 C ATOM 2062 C GLY A 138 107.862 4.971 -9.188 1.00 0.00 C ATOM 2063 O GLY A 138 108.768 5.688 -9.609 1.00 0.00 O ATOM 0 H GLY A 138 106.807 7.459 -9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 138 105.754 4.683 -8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 138 106.133 5.436 -10.386 1.00 0.00 H new ATOM 2067 N THR A 139 108.084 3.802 -8.590 1.00 0.00 N ATOM 2068 CA THR A 139 109.444 3.335 -8.326 1.00 0.00 C ATOM 2069 C THR A 139 109.695 1.972 -8.962 1.00 0.00 C ATOM 2070 O THR A 139 108.849 1.079 -8.905 1.00 0.00 O ATOM 2071 CB THR A 139 109.667 3.238 -6.814 1.00 0.00 C ATOM 2072 OG1 THR A 139 109.331 4.478 -6.209 1.00 0.00 O ATOM 2073 CG2 THR A 139 111.133 2.911 -6.527 1.00 0.00 C ATOM 0 H THR A 139 107.348 3.166 -8.282 1.00 0.00 H new ATOM 0 HA THR A 139 110.140 4.051 -8.763 1.00 0.00 H new ATOM 0 HB THR A 139 109.037 2.448 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 139 109.472 4.418 -5.241 1.00 0.00 H new ATOM 0 HG21 THR A 139 111.287 2.843 -5.450 1.00 0.00 H new ATOM 0 HG22 THR A 139 111.391 1.959 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 139 111.768 3.697 -6.935 1.00 0.00 H new ATOM 2081 N TRP A 140 110.869 1.826 -9.568 1.00 0.00 N ATOM 2082 CA TRP A 140 111.288 0.548 -10.131 1.00 0.00 C ATOM 2083 C TRP A 140 112.397 -0.045 -9.269 1.00 0.00 C ATOM 2084 O TRP A 140 113.439 0.578 -9.076 1.00 0.00 O ATOM 2085 CB TRP A 140 111.803 0.751 -11.556 1.00 0.00 C ATOM 2086 CG TRP A 140 112.201 -0.521 -12.236 1.00 0.00 C ATOM 2087 CD1 TRP A 140 113.350 -1.196 -12.008 1.00 0.00 C ATOM 2088 CD2 TRP A 140 111.477 -1.276 -13.251 1.00 0.00 C ATOM 2089 NE1 TRP A 140 113.377 -2.319 -12.815 1.00 0.00 N ATOM 2090 CE2 TRP A 140 112.246 -2.413 -13.600 1.00 0.00 C ATOM 2091 CE3 TRP A 140 110.242 -1.088 -13.896 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 111.802 -3.331 -14.556 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 109.794 -2.007 -14.856 1.00 0.00 C ATOM 2094 CH2 TRP A 140 110.571 -3.126 -15.186 1.00 0.00 C ATOM 0 H TRP A 140 111.548 2.579 -9.682 1.00 0.00 H new ATOM 0 HA TRP A 140 110.436 -0.132 -10.152 1.00 0.00 H new ATOM 0 HB2 TRP A 140 111.030 1.242 -12.146 1.00 0.00 H new ATOM 0 HB3 TRP A 140 112.660 1.424 -11.531 1.00 0.00 H new ATOM 0 HD1 TRP A 140 114.121 -0.906 -11.310 1.00 0.00 H new ATOM 0 HE1 TRP A 140 114.140 -2.996 -12.828 1.00 0.00 H new ATOM 0 HE3 TRP A 140 109.634 -0.230 -13.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 112.405 -4.191 -14.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 108.843 -1.851 -15.345 1.00 0.00 H new ATOM 0 HH2 TRP A 140 110.219 -3.829 -15.926 1.00 0.00 H new ATOM 2105 N ILE A 141 112.175 -1.253 -8.753 1.00 0.00 N ATOM 2106 CA ILE A 141 113.135 -1.876 -7.843 1.00 0.00 C ATOM 2107 C ILE A 141 113.712 -3.147 -8.460 1.00 0.00 C ATOM 2108 O ILE A 141 112.973 -4.018 -8.919 1.00 0.00 O ATOM 2109 CB ILE A 141 112.449 -2.222 -6.512 1.00 0.00 C ATOM 2110 CG1 ILE A 141 111.808 -0.967 -5.910 1.00 0.00 C ATOM 2111 CG2 ILE A 141 113.481 -2.772 -5.521 1.00 0.00 C ATOM 2112 CD1 ILE A 141 110.974 -1.353 -4.687 1.00 0.00 C ATOM 0 H ILE A 141 111.347 -1.816 -8.947 1.00 0.00 H new ATOM 0 HA ILE A 141 113.945 -1.170 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 141 111.681 -2.972 -6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 141 112.581 -0.253 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 141 111.178 -0.476 -6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 141 112.988 -3.015 -4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 141 113.939 -3.671 -5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 141 114.251 -2.021 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 141 110.519 -0.459 -4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 141 110.192 -2.051 -4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 141 111.616 -1.824 -3.943 1.00 0.00 H new ATOM 2124 N ALA A 142 115.039 -3.244 -8.472 1.00 0.00 N ATOM 2125 CA ALA A 142 115.698 -4.464 -8.925 1.00 0.00 C ATOM 2126 C ALA A 142 116.904 -4.767 -8.042 1.00 0.00 C ATOM 2127 O ALA A 142 117.647 -3.857 -7.672 1.00 0.00 O ATOM 2128 CB ALA A 142 116.152 -4.306 -10.378 1.00 0.00 C ATOM 0 H ALA A 142 115.672 -2.501 -8.177 1.00 0.00 H new ATOM 0 HA ALA A 142 114.990 -5.290 -8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 142 116.643 -5.222 -10.707 1.00 0.00 H new ATOM 0 HB2 ALA A 142 115.286 -4.111 -11.011 1.00 0.00 H new ATOM 0 HB3 ALA A 142 116.851 -3.473 -10.452 1.00 0.00 H new ATOM 2134 N GLY A 143 117.094 -6.042 -7.702 1.00 0.00 N ATOM 2135 CA GLY A 143 118.213 -6.422 -6.844 1.00 0.00 C ATOM 2136 C GLY A 143 118.515 -7.913 -6.940 1.00 0.00 C ATOM 2137 O GLY A 143 117.866 -8.640 -7.689 1.00 0.00 O ATOM 0 H GLY A 143 116.500 -6.815 -8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 143 119.098 -5.852 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 143 117.984 -6.163 -5.810 1.00 0.00 H new ATOM 2141 N VAL A 144 119.496 -8.360 -6.160 1.00 0.00 N ATOM 2142 CA VAL A 144 119.908 -9.759 -6.181 1.00 0.00 C ATOM 2143 C VAL A 144 120.144 -10.250 -4.758 1.00 0.00 C ATOM 2144 O VAL A 144 120.442 -9.450 -3.871 1.00 0.00 O ATOM 2145 CB VAL A 144 121.187 -9.921 -7.008 1.00 0.00 C ATOM 2146 CG1 VAL A 144 120.915 -9.503 -8.454 1.00 0.00 C ATOM 2147 CG2 VAL A 144 122.294 -9.037 -6.426 1.00 0.00 C ATOM 0 H VAL A 144 120.018 -7.775 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 144 119.117 -10.353 -6.638 1.00 0.00 H new ATOM 0 HB VAL A 144 121.503 -10.964 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 144 121.825 -9.618 -9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 144 120.129 -10.132 -8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 144 120.597 -8.461 -8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 144 123.202 -9.155 -7.017 1.00 0.00 H new ATOM 0 HG22 VAL A 144 121.978 -7.994 -6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 144 122.491 -9.332 -5.395 1.00 0.00 H new ATOM 2157 N GLY A 145 120.000 -11.554 -4.539 1.00 0.00 N ATOM 2158 CA GLY A 145 120.197 -12.108 -3.204 1.00 0.00 C ATOM 2159 C GLY A 145 120.802 -13.507 -3.254 1.00 0.00 C ATOM 2160 O GLY A 145 120.808 -14.155 -4.299 1.00 0.00 O ATOM 0 H GLY A 145 119.752 -12.236 -5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 145 120.850 -11.450 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 145 119.241 -12.144 -2.681 1.00 0.00 H new ATOM 2164 N TYR A 146 121.285 -13.967 -2.102 1.00 0.00 N ATOM 2165 CA TYR A 146 121.906 -15.283 -2.000 1.00 0.00 C ATOM 2166 C TYR A 146 121.356 -16.024 -0.786 1.00 0.00 C ATOM 2167 O TYR A 146 121.085 -15.412 0.248 1.00 0.00 O ATOM 2168 CB TYR A 146 123.423 -15.141 -1.872 1.00 0.00 C ATOM 2169 CG TYR A 146 124.157 -16.459 -1.949 1.00 0.00 C ATOM 2170 CD1 TYR A 146 124.408 -17.191 -0.782 1.00 0.00 C ATOM 2171 CD2 TYR A 146 124.590 -16.948 -3.188 1.00 0.00 C ATOM 2172 CE1 TYR A 146 125.091 -18.411 -0.853 1.00 0.00 C ATOM 2173 CE2 TYR A 146 125.272 -18.169 -3.259 1.00 0.00 C ATOM 2174 CZ TYR A 146 125.522 -18.900 -2.092 1.00 0.00 C ATOM 2175 OH TYR A 146 126.196 -20.102 -2.163 1.00 0.00 O ATOM 0 H TYR A 146 121.258 -13.446 -1.226 1.00 0.00 H new ATOM 0 HA TYR A 146 121.677 -15.850 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 146 123.787 -14.484 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 146 123.657 -14.658 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 146 124.074 -16.814 0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 146 124.398 -16.383 -4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 146 125.285 -18.975 0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 146 125.605 -18.547 -4.214 1.00 0.00 H new ATOM 0 HH TYR A 146 126.423 -20.295 -3.097 1.00 0.00 H new ATOM 2185 N ARG A 147 121.180 -17.334 -0.923 1.00 0.00 N ATOM 2186 CA ARG A 147 120.612 -18.136 0.155 1.00 0.00 C ATOM 2187 C ARG A 147 121.711 -18.851 0.937 1.00 0.00 C ATOM 2188 O ARG A 147 122.673 -19.356 0.358 1.00 0.00 O ATOM 2189 CB ARG A 147 119.645 -19.167 -0.432 1.00 0.00 C ATOM 2190 CG ARG A 147 118.902 -19.886 0.695 1.00 0.00 C ATOM 2191 CD ARG A 147 117.979 -20.948 0.093 1.00 0.00 C ATOM 2192 NE ARG A 147 117.156 -21.562 1.138 1.00 0.00 N ATOM 2193 CZ ARG A 147 116.558 -22.756 1.003 1.00 0.00 C ATOM 2194 NH1 ARG A 147 116.677 -23.479 -0.084 1.00 0.00 N ATOM 2195 NH2 ARG A 147 115.835 -23.214 1.988 1.00 0.00 N ATOM 0 H ARG A 147 121.420 -17.860 -1.763 1.00 0.00 H new ATOM 0 HA ARG A 147 120.078 -17.474 0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 147 118.932 -18.674 -1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 147 120.193 -19.890 -1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 147 119.614 -20.350 1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 147 118.322 -19.171 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 147 117.339 -20.495 -0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 147 118.572 -21.713 -0.408 1.00 0.00 H new ATOM 0 HE ARG A 147 117.031 -21.055 2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 147 117.239 -23.139 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 147 116.207 -24.382 -0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 147 115.732 -22.667 2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 147 115.373 -24.119 1.903 1.00 0.00 H new ATOM 2209 N PHE A 148 121.560 -18.887 2.259 1.00 0.00 N ATOM 2210 CA PHE A 148 122.525 -19.560 3.125 1.00 0.00 C ATOM 2211 C PHE A 148 121.806 -20.546 4.039 1.00 0.00 C ATOM 2212 O PHE A 148 120.808 -20.156 4.624 1.00 0.00 O ATOM 2213 CB PHE A 148 123.269 -18.534 3.982 1.00 0.00 C ATOM 2214 CG PHE A 148 124.117 -17.570 3.185 1.00 0.00 C ATOM 2215 CD1 PHE A 148 125.388 -17.956 2.744 1.00 0.00 C ATOM 2216 CD2 PHE A 148 123.635 -16.289 2.893 1.00 0.00 C ATOM 2217 CE1 PHE A 148 126.178 -17.061 2.013 1.00 0.00 C ATOM 2218 CE2 PHE A 148 124.424 -15.394 2.161 1.00 0.00 C ATOM 2219 CZ PHE A 148 125.695 -15.780 1.720 1.00 0.00 C ATOM 2220 OXT PHE A 148 122.262 -21.672 4.141 1.00 0.00 O ATOM 0 H PHE A 148 120.778 -18.458 2.754 1.00 0.00 H new ATOM 0 HA PHE A 148 123.239 -20.095 2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 148 122.543 -17.967 4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 148 123.906 -19.062 4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 148 125.760 -18.945 2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 148 122.654 -15.991 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 148 127.160 -17.359 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 148 124.052 -14.405 1.936 1.00 0.00 H new ATOM 0 HZ PHE A 148 126.303 -15.090 1.154 1.00 0.00 H new TER 2230 PHE A 148